USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 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 22 THR OG1 : rot 180:sc= 0.0049 USER MOD Set 1.2: A 25 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0.0049) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -170:sc= 0.832 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 158:sc= 0.725 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 2.22 (180deg=1.99) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.763 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 0.689 (180deg=-0.637!) USER MOD Single : A 14 THR OG1 : rot -59:sc= 0.777 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 2.31 (180deg=2.24) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0129) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= 0.136 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= 0.235 K(o=0.23,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= -0.004 (180deg=-0.289) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 THR OG1 : rot -51:sc= 0.984 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.607 USER MOD Single : A 60 ASN : amide:sc=-0.00522 X(o=-0.0052,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -132:sc= 0.265 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.619 -4.664 -4.162 1.00 0.78 N ATOM 2 CA MET A 1 12.383 -5.294 -2.844 1.00 0.70 C ATOM 3 C MET A 1 10.982 -5.646 -2.481 1.00 0.62 C ATOM 4 O MET A 1 10.019 -5.076 -2.991 1.00 0.68 O ATOM 5 CB MET A 1 12.951 -4.363 -1.761 1.00 0.75 C ATOM 6 CG MET A 1 12.214 -3.023 -1.700 1.00 0.79 C ATOM 7 SD MET A 1 12.483 -2.119 -0.146 1.00 1.10 S ATOM 8 CE MET A 1 11.556 -0.623 -0.593 1.00 0.84 C ATOM 0 H1 MET A 1 13.529 -4.160 -4.148 1.00 0.78 H new ATOM 0 H2 MET A 1 12.641 -5.398 -4.899 1.00 0.78 H new ATOM 0 H3 MET A 1 11.853 -3.991 -4.367 1.00 0.78 H new ATOM 0 HA MET A 1 12.883 -6.260 -2.914 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.885 -4.856 -0.791 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.008 -4.185 -1.957 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.538 -2.401 -2.534 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.146 -3.198 -1.829 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.589 0.086 0.234 1.00 0.84 H new ATOM 0 HE2 MET A 1 12.002 -0.169 -1.478 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.520 -0.887 -0.804 1.00 0.84 H new ATOM 20 N GLN A 2 10.814 -6.738 -1.714 1.00 0.59 N ATOM 21 CA GLN A 2 9.493 -7.212 -1.443 1.00 0.56 C ATOM 22 C GLN A 2 8.919 -6.583 -0.221 1.00 0.50 C ATOM 23 O GLN A 2 9.494 -6.718 0.858 1.00 0.60 O ATOM 24 CB GLN A 2 9.438 -8.704 -1.073 1.00 0.71 C ATOM 25 CG GLN A 2 10.059 -9.630 -2.121 1.00 1.15 C ATOM 26 CD GLN A 2 9.738 -11.106 -1.928 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.070 -11.636 -0.869 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.253 -11.813 -2.983 1.00 1.72 N ATOM 0 H GLN A 2 11.569 -7.279 -1.292 1.00 0.59 H new ATOM 0 HA GLN A 2 8.960 -6.983 -2.366 1.00 0.56 H new ATOM 0 HB2 GLN A 2 9.952 -8.851 -0.123 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.398 -8.992 -0.920 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.715 -9.322 -3.109 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.141 -9.501 -2.106 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.990 -11.331 -3.842 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.152 -12.826 -2.915 1.00 1.72 H new ATOM 37 N ILE A 3 7.775 -5.876 -0.258 1.00 0.44 N ATOM 38 CA ILE A 3 7.062 -5.344 0.862 1.00 0.42 C ATOM 39 C ILE A 3 5.783 -6.101 0.771 1.00 0.40 C ATOM 40 O ILE A 3 5.448 -6.670 -0.267 1.00 0.50 O ATOM 41 CB ILE A 3 6.770 -3.874 0.841 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.076 -3.315 -0.412 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.128 -3.215 1.140 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.336 -2.001 -0.161 1.00 0.72 C ATOM 0 H ILE A 3 7.314 -5.660 -1.142 1.00 0.44 H new ATOM 0 HA ILE A 3 7.651 -5.451 1.773 1.00 0.42 H new ATOM 0 HB ILE A 3 6.005 -3.643 1.582 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.821 -3.160 -1.192 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.370 -4.055 -0.788 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.013 -2.131 1.145 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.487 -3.547 2.114 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.848 -3.500 0.372 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.870 -1.663 -1.087 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.568 -2.155 0.597 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.042 -1.246 0.186 1.00 0.72 H new ATOM 56 N PHE A 4 5.086 -6.260 1.910 1.00 0.37 N ATOM 57 CA PHE A 4 3.840 -6.955 2.014 1.00 0.38 C ATOM 58 C PHE A 4 2.723 -6.031 2.358 1.00 0.39 C ATOM 59 O PHE A 4 2.991 -4.989 2.954 1.00 0.60 O ATOM 60 CB PHE A 4 3.896 -8.068 3.074 1.00 0.45 C ATOM 61 CG PHE A 4 5.118 -8.891 2.860 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.159 -9.629 1.700 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.155 -9.025 3.753 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.168 -10.538 1.483 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.163 -9.924 3.493 1.00 1.40 C ATOM 66 CZ PHE A 4 7.195 -10.728 2.378 1.00 0.85 C ATOM 0 H PHE A 4 5.407 -5.885 2.803 1.00 0.37 H new ATOM 0 HA PHE A 4 3.658 -7.397 1.034 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.907 -7.634 4.074 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.006 -8.694 3.008 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.391 -9.493 0.952 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.178 -8.428 4.653 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.153 -11.124 0.576 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.973 -10.003 4.203 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.973 -11.459 2.216 1.00 0.85 H new ATOM 76 N VAL A 5 1.449 -6.263 1.995 1.00 0.35 N ATOM 77 CA VAL A 5 0.338 -5.451 2.384 1.00 0.35 C ATOM 78 C VAL A 5 -0.725 -6.404 2.808 1.00 0.35 C ATOM 79 O VAL A 5 -1.107 -7.343 2.111 1.00 0.46 O ATOM 80 CB VAL A 5 -0.150 -4.685 1.191 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.215 -3.683 1.667 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.986 -3.984 0.427 1.00 0.56 C ATOM 0 H VAL A 5 1.182 -7.051 1.405 1.00 0.35 H new ATOM 0 HA VAL A 5 0.603 -4.748 3.174 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.586 -5.384 0.477 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.585 -3.113 0.815 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.041 -4.223 2.129 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.774 -3.002 2.395 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.573 -3.446 -0.426 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.491 -3.281 1.090 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.701 -4.728 0.075 1.00 0.56 H new ATOM 92 N LYS A 6 -1.275 -6.206 4.020 1.00 0.36 N ATOM 93 CA LYS A 6 -2.301 -7.047 4.553 1.00 0.39 C ATOM 94 C LYS A 6 -3.651 -6.500 4.234 1.00 0.46 C ATOM 95 O LYS A 6 -3.839 -5.287 4.314 1.00 0.53 O ATOM 96 CB LYS A 6 -2.189 -6.986 6.086 1.00 0.54 C ATOM 97 CG LYS A 6 -1.922 -8.372 6.675 1.00 1.22 C ATOM 98 CD LYS A 6 -0.631 -9.130 6.358 1.00 1.37 C ATOM 99 CE LYS A 6 -0.272 -10.238 7.350 1.00 1.93 C ATOM 100 NZ LYS A 6 0.746 -11.101 6.710 1.00 2.09 N ATOM 0 H LYS A 6 -1.001 -5.446 4.642 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.185 -8.049 4.140 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.385 -6.307 6.368 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.110 -6.581 6.505 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.976 -8.273 7.759 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.750 -9.012 6.372 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.719 -9.568 5.364 1.00 1.37 H new ATOM 0 HD3 LYS A 6 0.192 -8.416 6.320 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.115 -9.812 8.276 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.156 -10.819 7.611 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.888 -11.956 7.285 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.423 -11.373 5.760 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.644 -10.582 6.635 1.00 2.09 H new ATOM 114 N THR A 7 -4.602 -7.390 3.901 1.00 0.58 N ATOM 115 CA THR A 7 -5.938 -6.965 3.617 1.00 0.78 C ATOM 116 C THR A 7 -6.695 -6.908 4.899 1.00 0.94 C ATOM 117 O THR A 7 -6.122 -7.142 5.962 1.00 0.99 O ATOM 118 CB THR A 7 -6.661 -7.766 2.574 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.844 -9.124 2.945 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.829 -7.658 1.285 1.00 0.92 C ATOM 0 H THR A 7 -4.449 -8.396 3.829 1.00 0.58 H new ATOM 0 HA THR A 7 -5.868 -5.976 3.163 1.00 0.78 H new ATOM 0 HB THR A 7 -7.667 -7.369 2.441 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.321 -9.597 2.231 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.313 -8.226 0.491 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.752 -6.612 0.988 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.831 -8.059 1.461 1.00 0.92 H new ATOM 128 N LEU A 8 -7.998 -6.583 4.988 1.00 1.17 N ATOM 129 CA LEU A 8 -8.816 -6.683 6.157 1.00 1.39 C ATOM 130 C LEU A 8 -9.036 -8.066 6.665 1.00 1.44 C ATOM 131 O LEU A 8 -8.924 -8.432 7.833 1.00 1.60 O ATOM 132 CB LEU A 8 -10.091 -5.947 5.711 1.00 1.66 C ATOM 133 CG LEU A 8 -10.988 -5.584 6.905 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.274 -4.659 7.905 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.272 -4.941 6.355 1.00 2.43 C ATOM 0 H LEU A 8 -8.515 -6.225 4.185 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.350 -6.245 7.040 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.817 -5.039 5.173 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.648 -6.574 5.015 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.233 -6.487 7.463 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.946 -4.429 8.732 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.383 -5.156 8.289 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.986 -3.735 7.404 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.928 -4.673 7.183 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.017 -4.045 5.790 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.782 -5.649 5.702 1.00 2.43 H new ATOM 147 N THR A 9 -9.370 -9.020 5.778 1.00 1.41 N ATOM 148 CA THR A 9 -9.550 -10.370 6.215 1.00 1.51 C ATOM 149 C THR A 9 -8.320 -11.166 6.480 1.00 1.37 C ATOM 150 O THR A 9 -8.298 -12.106 7.273 1.00 1.62 O ATOM 151 CB THR A 9 -10.429 -11.250 5.377 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.033 -11.438 4.026 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.825 -10.604 5.411 1.00 2.08 C ATOM 0 H THR A 9 -9.513 -8.863 4.780 1.00 1.41 H new ATOM 0 HA THR A 9 -10.050 -10.127 7.153 1.00 1.51 H new ATOM 0 HB THR A 9 -10.380 -12.253 5.802 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.674 -12.027 3.576 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.516 -11.200 4.816 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.179 -10.558 6.441 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.769 -9.596 5.001 1.00 2.08 H new ATOM 161 N GLY A 10 -7.168 -10.776 5.905 1.00 1.18 N ATOM 162 CA GLY A 10 -5.859 -11.322 6.093 1.00 1.22 C ATOM 163 C GLY A 10 -5.117 -11.944 4.962 1.00 0.99 C ATOM 164 O GLY A 10 -4.436 -12.958 5.114 1.00 1.31 O ATOM 0 H GLY A 10 -7.155 -10.000 5.243 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.232 -10.520 6.484 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -5.937 -12.076 6.876 1.00 1.22 H new ATOM 168 N LYS A 11 -5.224 -11.381 3.745 1.00 0.73 N ATOM 169 CA LYS A 11 -4.637 -11.854 2.529 1.00 0.60 C ATOM 170 C LYS A 11 -3.417 -11.005 2.423 1.00 0.51 C ATOM 171 O LYS A 11 -3.473 -9.779 2.506 1.00 0.63 O ATOM 172 CB LYS A 11 -5.468 -11.558 1.269 1.00 0.75 C ATOM 173 CG LYS A 11 -4.828 -12.204 0.039 1.00 0.87 C ATOM 174 CD LYS A 11 -5.522 -11.902 -1.291 1.00 1.04 C ATOM 175 CE LYS A 11 -4.595 -12.368 -2.416 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.304 -12.145 -3.694 1.00 1.40 N ATOM 0 H LYS A 11 -5.764 -10.528 3.601 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.507 -12.935 2.569 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.482 -11.935 1.399 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.545 -10.481 1.122 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.791 -11.874 -0.027 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.810 -13.284 0.184 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.481 -12.417 -1.348 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.727 -10.835 -1.382 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.657 -11.813 -2.395 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.344 -13.422 -2.295 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.610 -12.004 -4.456 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.895 -12.973 -3.912 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.907 -11.301 -3.614 1.00 1.40 H new ATOM 190 N THR A 12 -2.231 -11.617 2.256 1.00 0.49 N ATOM 191 CA THR A 12 -0.991 -10.934 2.054 1.00 0.48 C ATOM 192 C THR A 12 -0.653 -10.709 0.620 1.00 0.52 C ATOM 193 O THR A 12 -0.641 -11.666 -0.152 1.00 0.72 O ATOM 194 CB THR A 12 0.211 -11.589 2.668 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.101 -11.906 4.016 1.00 0.77 O ATOM 196 CG2 THR A 12 1.428 -10.656 2.566 1.00 0.78 C ATOM 0 H THR A 12 -2.132 -12.632 2.262 1.00 0.49 H new ATOM 0 HA THR A 12 -1.190 -9.991 2.563 1.00 0.48 H new ATOM 0 HB THR A 12 0.467 -12.506 2.138 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.492 -12.621 4.329 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.296 -11.140 3.014 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.634 -10.440 1.518 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.218 -9.726 3.094 1.00 0.78 H new ATOM 204 N ILE A 13 -0.541 -9.432 0.213 1.00 0.48 N ATOM 205 CA ILE A 13 -0.225 -9.064 -1.132 1.00 0.55 C ATOM 206 C ILE A 13 1.263 -8.971 -1.130 1.00 0.51 C ATOM 207 O ILE A 13 1.802 -8.329 -0.230 1.00 0.56 O ATOM 208 CB ILE A 13 -0.892 -7.902 -1.806 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.373 -8.000 -1.402 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.623 -8.079 -3.310 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.041 -6.721 -1.904 1.00 1.55 C ATOM 0 H ILE A 13 -0.674 -8.635 0.835 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.661 -9.825 -1.779 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.535 -6.910 -1.529 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.839 -8.881 -1.844 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.476 -8.093 -0.321 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.085 -7.260 -3.861 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.452 -8.076 -3.490 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.045 -9.026 -3.646 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.099 -6.737 -1.643 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.566 -5.856 -1.440 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.935 -6.656 -2.987 1.00 1.55 H new ATOM 223 N THR A 14 2.050 -9.630 -2.000 1.00 0.55 N ATOM 224 CA THR A 14 3.460 -9.409 -2.066 1.00 0.54 C ATOM 225 C THR A 14 3.705 -8.474 -3.200 1.00 0.55 C ATOM 226 O THR A 14 3.320 -8.733 -4.340 1.00 0.72 O ATOM 227 CB THR A 14 4.180 -10.723 -2.134 1.00 0.67 C ATOM 228 OG1 THR A 14 4.139 -11.407 -0.891 1.00 1.08 O ATOM 229 CG2 THR A 14 5.667 -10.489 -2.452 1.00 1.03 C ATOM 0 H THR A 14 1.704 -10.323 -2.664 1.00 0.55 H new ATOM 0 HA THR A 14 3.863 -8.934 -1.171 1.00 0.54 H new ATOM 0 HB THR A 14 3.686 -11.313 -2.906 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.546 -10.848 -0.196 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.184 -11.447 -2.500 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.758 -9.979 -3.411 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.114 -9.874 -1.671 1.00 1.03 H new ATOM 237 N LEU A 15 4.300 -7.303 -2.913 1.00 0.50 N ATOM 238 CA LEU A 15 4.632 -6.337 -3.915 1.00 0.55 C ATOM 239 C LEU A 15 6.089 -6.051 -4.021 1.00 0.52 C ATOM 240 O LEU A 15 6.811 -5.701 -3.088 1.00 0.58 O ATOM 241 CB LEU A 15 3.845 -5.049 -3.618 1.00 0.69 C ATOM 242 CG LEU A 15 2.320 -5.190 -3.485 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.691 -3.904 -2.924 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.621 -5.589 -4.797 1.00 1.55 C ATOM 0 H LEU A 15 4.556 -7.021 -1.967 1.00 0.50 H new ATOM 0 HA LEU A 15 4.355 -6.754 -4.883 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.230 -4.620 -2.693 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.053 -4.332 -4.412 1.00 0.69 H new ATOM 0 HG LEU A 15 2.162 -6.008 -2.783 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.612 -4.033 -2.841 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.108 -3.695 -1.939 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.906 -3.071 -3.594 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.547 -5.670 -4.627 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.812 -4.831 -5.556 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.008 -6.549 -5.138 1.00 1.55 H new ATOM 256 N GLU A 16 6.631 -6.379 -5.207 1.00 0.59 N ATOM 257 CA GLU A 16 7.973 -6.038 -5.567 1.00 0.63 C ATOM 258 C GLU A 16 8.123 -4.627 -6.017 1.00 0.65 C ATOM 259 O GLU A 16 7.813 -4.261 -7.151 1.00 0.81 O ATOM 260 CB GLU A 16 8.483 -7.016 -6.639 1.00 0.76 C ATOM 261 CG GLU A 16 9.905 -6.815 -7.164 1.00 1.41 C ATOM 262 CD GLU A 16 10.976 -6.914 -6.087 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.887 -7.760 -5.157 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.976 -6.148 -6.123 1.00 1.95 O ATOM 0 H GLU A 16 6.127 -6.891 -5.931 1.00 0.59 H new ATOM 0 HA GLU A 16 8.582 -6.127 -4.667 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.415 -8.025 -6.232 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.802 -6.968 -7.488 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.107 -7.560 -7.934 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.972 -5.837 -7.641 1.00 1.41 H new ATOM 271 N VAL A 17 8.549 -3.721 -5.120 1.00 0.61 N ATOM 272 CA VAL A 17 8.689 -2.307 -5.286 1.00 0.63 C ATOM 273 C VAL A 17 10.121 -1.903 -5.219 1.00 0.65 C ATOM 274 O VAL A 17 10.926 -2.690 -4.723 1.00 0.76 O ATOM 275 CB VAL A 17 7.953 -1.562 -4.212 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.438 -1.816 -4.281 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.465 -1.987 -2.825 1.00 0.92 C ATOM 0 H VAL A 17 8.823 -4.011 -4.182 1.00 0.61 H new ATOM 0 HA VAL A 17 8.273 -2.061 -6.263 1.00 0.63 H new ATOM 0 HB VAL A 17 8.136 -0.499 -4.371 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.939 -1.260 -3.487 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.058 -1.488 -5.248 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.242 -2.881 -4.156 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.923 -1.439 -2.054 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.306 -3.057 -2.690 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.530 -1.766 -2.747 1.00 0.92 H new ATOM 287 N GLU A 18 10.414 -0.656 -5.631 1.00 0.68 N ATOM 288 CA GLU A 18 11.627 0.025 -5.304 1.00 0.74 C ATOM 289 C GLU A 18 11.401 1.110 -4.307 1.00 0.71 C ATOM 290 O GLU A 18 10.246 1.443 -4.048 1.00 0.74 O ATOM 291 CB GLU A 18 12.199 0.724 -6.549 1.00 0.88 C ATOM 292 CG GLU A 18 12.635 -0.356 -7.541 1.00 1.16 C ATOM 293 CD GLU A 18 13.216 0.301 -8.785 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.226 1.040 -8.637 1.00 2.35 O ATOM 295 OE2 GLU A 18 12.774 0.160 -9.957 1.00 2.33 O ATOM 0 H GLU A 18 9.784 -0.103 -6.212 1.00 0.68 H new ATOM 0 HA GLU A 18 12.302 -0.733 -4.907 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.449 1.374 -6.999 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.045 1.355 -6.277 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.377 -1.009 -7.081 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.784 -0.982 -7.811 1.00 1.16 H new ATOM 302 N PRO A 19 12.293 1.719 -3.583 1.00 0.74 N ATOM 303 CA PRO A 19 11.984 2.687 -2.572 1.00 0.74 C ATOM 304 C PRO A 19 11.700 4.007 -3.204 1.00 0.70 C ATOM 305 O PRO A 19 11.104 4.874 -2.568 1.00 0.74 O ATOM 306 CB PRO A 19 13.204 2.728 -1.654 1.00 0.86 C ATOM 307 CG PRO A 19 14.342 2.299 -2.593 1.00 0.95 C ATOM 308 CD PRO A 19 13.671 1.260 -3.507 1.00 0.82 C ATOM 0 HA PRO A 19 11.092 2.430 -2.000 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.370 3.724 -1.244 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.098 2.049 -0.808 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.734 3.142 -3.162 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.179 1.870 -2.042 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.139 1.228 -4.491 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.738 0.255 -3.090 1.00 0.82 H new ATOM 316 N SER A 20 12.149 4.211 -4.456 1.00 0.70 N ATOM 317 CA SER A 20 11.941 5.441 -5.153 1.00 0.74 C ATOM 318 C SER A 20 10.597 5.562 -5.784 1.00 0.71 C ATOM 319 O SER A 20 10.313 6.656 -6.271 1.00 0.80 O ATOM 320 CB SER A 20 12.962 5.707 -6.272 1.00 0.89 C ATOM 321 OG SER A 20 14.302 5.500 -5.851 1.00 1.45 O ATOM 0 H SER A 20 12.664 3.512 -4.991 1.00 0.70 H new ATOM 0 HA SER A 20 12.053 6.173 -4.353 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.746 5.054 -7.118 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.850 6.733 -6.624 1.00 0.89 H new ATOM 0 HG SER A 20 14.911 5.680 -6.597 1.00 1.45 H new ATOM 327 N ASP A 21 9.755 4.516 -5.700 1.00 0.70 N ATOM 328 CA ASP A 21 8.413 4.489 -6.192 1.00 0.73 C ATOM 329 C ASP A 21 7.483 5.305 -5.362 1.00 0.64 C ATOM 330 O ASP A 21 7.602 5.253 -4.139 1.00 0.66 O ATOM 331 CB ASP A 21 7.792 3.084 -6.288 1.00 0.87 C ATOM 332 CG ASP A 21 8.483 2.205 -7.321 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.863 2.781 -8.375 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.637 0.968 -7.134 1.00 1.50 O ATOM 0 H ASP A 21 10.029 3.637 -5.262 1.00 0.70 H new ATOM 0 HA ASP A 21 8.519 4.903 -7.195 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.845 2.601 -5.312 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.736 3.175 -6.542 1.00 0.87 H new ATOM 339 N THR A 22 6.518 5.983 -6.007 1.00 0.63 N ATOM 340 CA THR A 22 5.546 6.721 -5.260 1.00 0.58 C ATOM 341 C THR A 22 4.465 5.818 -4.774 1.00 0.53 C ATOM 342 O THR A 22 4.387 4.638 -5.112 1.00 0.58 O ATOM 343 CB THR A 22 4.867 7.877 -5.931 1.00 0.63 C ATOM 344 OG1 THR A 22 4.539 7.450 -7.246 1.00 0.70 O ATOM 345 CG2 THR A 22 5.983 8.888 -6.243 1.00 0.75 C ATOM 0 H THR A 22 6.410 6.022 -7.021 1.00 0.63 H new ATOM 0 HA THR A 22 6.160 7.152 -4.469 1.00 0.58 H new ATOM 0 HB THR A 22 4.033 8.242 -5.332 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.089 8.178 -7.724 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.556 9.761 -6.736 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.465 9.195 -5.315 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.720 8.425 -6.899 1.00 0.75 H new ATOM 353 N ILE A 23 3.600 6.200 -3.817 1.00 0.51 N ATOM 354 CA ILE A 23 2.564 5.307 -3.400 1.00 0.48 C ATOM 355 C ILE A 23 1.527 5.085 -4.446 1.00 0.48 C ATOM 356 O ILE A 23 1.006 3.977 -4.561 1.00 0.51 O ATOM 357 CB ILE A 23 1.912 5.762 -2.127 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.897 6.034 -0.977 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.929 4.629 -1.786 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.133 5.139 -0.901 1.00 0.73 C ATOM 0 H ILE A 23 3.615 7.103 -3.343 1.00 0.51 H new ATOM 0 HA ILE A 23 3.061 4.354 -3.222 1.00 0.48 H new ATOM 0 HB ILE A 23 1.425 6.727 -2.262 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.231 7.069 -1.054 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.354 5.944 -0.036 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.400 4.871 -0.864 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.210 4.515 -2.597 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.479 3.697 -1.655 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.744 5.434 -0.048 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.824 4.100 -0.784 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.714 5.243 -1.817 1.00 0.73 H new ATOM 372 N GLU A 24 1.344 6.028 -5.387 1.00 0.50 N ATOM 373 CA GLU A 24 0.664 5.945 -6.642 1.00 0.53 C ATOM 374 C GLU A 24 1.113 4.805 -7.489 1.00 0.50 C ATOM 375 O GLU A 24 0.269 4.028 -7.937 1.00 0.55 O ATOM 376 CB GLU A 24 0.807 7.284 -7.386 1.00 0.64 C ATOM 377 CG GLU A 24 -0.068 7.441 -8.631 1.00 0.95 C ATOM 378 CD GLU A 24 0.036 8.807 -9.295 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.127 8.976 -9.902 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.952 9.586 -9.235 1.00 1.56 O ATOM 0 H GLU A 24 1.722 6.965 -5.246 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.387 5.748 -6.431 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.571 8.092 -6.693 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.850 7.408 -7.678 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.208 6.675 -9.355 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.107 7.260 -8.357 1.00 0.95 H new ATOM 387 N ASN A 25 2.432 4.583 -7.625 1.00 0.51 N ATOM 388 CA ASN A 25 2.928 3.435 -8.319 1.00 0.52 C ATOM 389 C ASN A 25 2.580 2.117 -7.716 1.00 0.47 C ATOM 390 O ASN A 25 2.224 1.152 -8.391 1.00 0.53 O ATOM 391 CB ASN A 25 4.464 3.508 -8.339 1.00 0.64 C ATOM 392 CG ASN A 25 4.992 4.272 -9.545 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.550 5.503 -9.395 1.00 2.13 O flip ATOM 394 ND2 ASN A 25 4.914 3.735 -10.650 1.00 1.57 N flip ATOM 0 H ASN A 25 3.156 5.199 -7.254 1.00 0.51 H new ATOM 0 HA ASN A 25 2.459 3.473 -9.302 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.814 3.989 -7.426 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.873 2.498 -8.344 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.491 2.811 -10.739 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.272 4.214 -11.476 1.00 1.57 H new ATOM 401 N VAL A 26 2.562 2.035 -6.374 1.00 0.45 N ATOM 402 CA VAL A 26 2.171 0.910 -5.582 1.00 0.44 C ATOM 403 C VAL A 26 0.723 0.601 -5.740 1.00 0.40 C ATOM 404 O VAL A 26 0.298 -0.538 -5.934 1.00 0.44 O ATOM 405 CB VAL A 26 2.495 1.067 -4.126 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.067 -0.168 -3.316 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.004 1.311 -3.959 1.00 0.62 C ATOM 0 H VAL A 26 2.846 2.825 -5.794 1.00 0.45 H new ATOM 0 HA VAL A 26 2.761 0.075 -5.962 1.00 0.44 H new ATOM 0 HB VAL A 26 1.939 1.923 -3.743 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.317 -0.019 -2.266 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.991 -0.314 -3.416 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.589 -1.048 -3.692 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.239 1.425 -2.901 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.557 0.463 -4.364 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.287 2.218 -4.493 1.00 0.62 H new ATOM 417 N LYS A 27 -0.138 1.628 -5.630 1.00 0.40 N ATOM 418 CA LYS A 27 -1.522 1.503 -5.965 1.00 0.41 C ATOM 419 C LYS A 27 -1.828 1.010 -7.337 1.00 0.38 C ATOM 420 O LYS A 27 -2.661 0.112 -7.458 1.00 0.42 O ATOM 421 CB LYS A 27 -2.183 2.886 -5.839 1.00 0.51 C ATOM 422 CG LYS A 27 -2.359 3.365 -4.396 1.00 0.76 C ATOM 423 CD LYS A 27 -3.052 4.725 -4.291 1.00 0.82 C ATOM 424 CE LYS A 27 -3.718 4.970 -2.936 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.793 5.963 -3.147 1.00 1.11 N ATOM 0 H LYS A 27 0.130 2.557 -5.304 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.903 0.752 -5.273 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.581 3.615 -6.382 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.160 2.856 -6.322 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.939 2.626 -3.843 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.381 3.425 -3.918 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.320 5.512 -4.474 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.805 4.801 -5.076 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.126 4.042 -2.535 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.991 5.338 -2.212 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -5.314 6.105 -2.258 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.377 6.866 -3.452 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.446 5.618 -3.879 1.00 1.11 H new ATOM 439 N ALA A 28 -1.005 1.355 -8.342 1.00 0.39 N ATOM 440 CA ALA A 28 -1.123 0.811 -9.659 1.00 0.39 C ATOM 441 C ALA A 28 -0.718 -0.615 -9.816 1.00 0.36 C ATOM 442 O ALA A 28 -1.172 -1.367 -10.677 1.00 0.42 O ATOM 443 CB ALA A 28 -0.385 1.704 -10.669 1.00 0.51 C ATOM 0 H ALA A 28 -0.243 2.025 -8.238 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.194 0.805 -9.863 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.482 1.280 -11.668 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.819 2.704 -10.656 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.670 1.763 -10.400 1.00 0.51 H new ATOM 449 N LYS A 29 0.146 -1.109 -8.912 1.00 0.39 N ATOM 450 CA LYS A 29 0.530 -2.468 -8.684 1.00 0.43 C ATOM 451 C LYS A 29 -0.497 -3.280 -7.972 1.00 0.44 C ATOM 452 O LYS A 29 -0.736 -4.463 -8.202 1.00 0.54 O ATOM 453 CB LYS A 29 1.865 -2.522 -7.923 1.00 0.54 C ATOM 454 CG LYS A 29 2.743 -3.711 -8.316 1.00 0.65 C ATOM 455 CD LYS A 29 4.037 -3.780 -7.501 1.00 1.08 C ATOM 456 CE LYS A 29 4.993 -2.597 -7.658 1.00 1.24 C ATOM 457 NZ LYS A 29 5.393 -2.404 -9.071 1.00 1.44 N ATOM 0 H LYS A 29 0.629 -0.482 -8.269 1.00 0.39 H new ATOM 0 HA LYS A 29 0.638 -2.917 -9.671 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.415 -1.599 -8.104 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.663 -2.568 -6.853 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.181 -4.635 -8.178 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.988 -3.643 -9.376 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.775 -3.872 -6.447 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.569 -4.690 -7.778 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.515 -1.690 -7.287 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.881 -2.762 -7.047 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.080 -1.626 -9.134 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.825 -3.278 -9.432 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.554 -2.172 -9.641 1.00 1.44 H new ATOM 471 N ILE A 30 -1.303 -2.734 -7.043 1.00 0.41 N ATOM 472 CA ILE A 30 -2.377 -3.423 -6.397 1.00 0.44 C ATOM 473 C ILE A 30 -3.547 -3.535 -7.312 1.00 0.45 C ATOM 474 O ILE A 30 -4.237 -4.549 -7.405 1.00 0.56 O ATOM 475 CB ILE A 30 -2.702 -2.804 -5.071 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.647 -3.122 -3.997 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.108 -3.204 -4.592 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.791 -2.401 -2.658 1.00 1.32 C ATOM 0 H ILE A 30 -1.201 -1.769 -6.728 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.064 -4.443 -6.171 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.688 -1.725 -5.224 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.666 -4.195 -3.809 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.664 -2.887 -4.406 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.310 -2.738 -3.628 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.849 -2.871 -5.319 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.163 -4.288 -4.489 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.988 -2.711 -1.990 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.735 -1.324 -2.817 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.753 -2.653 -2.211 1.00 1.32 H new ATOM 490 N GLN A 31 -3.656 -2.584 -8.257 1.00 0.41 N ATOM 491 CA GLN A 31 -4.681 -2.509 -9.252 1.00 0.48 C ATOM 492 C GLN A 31 -4.378 -3.570 -10.251 1.00 0.52 C ATOM 493 O GLN A 31 -5.333 -4.089 -10.827 1.00 0.66 O ATOM 494 CB GLN A 31 -4.761 -1.185 -10.032 1.00 0.52 C ATOM 495 CG GLN A 31 -5.889 -1.208 -11.066 1.00 0.70 C ATOM 496 CD GLN A 31 -5.871 0.135 -11.782 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.133 1.034 -11.383 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.819 0.331 -12.737 1.00 1.43 N ATOM 0 H GLN A 31 -2.985 -1.819 -8.330 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.629 -2.613 -8.725 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.921 -0.361 -9.336 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.811 -0.999 -10.533 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.745 -2.024 -11.775 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.851 -1.373 -10.582 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.409 -0.445 -13.037 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.940 1.254 -13.153 1.00 1.43 H new ATOM 507 N ASP A 32 -3.118 -4.010 -10.412 1.00 0.50 N ATOM 508 CA ASP A 32 -2.833 -5.152 -11.225 1.00 0.60 C ATOM 509 C ASP A 32 -2.942 -6.457 -10.516 1.00 0.65 C ATOM 510 O ASP A 32 -3.452 -7.456 -11.020 1.00 0.81 O ATOM 511 CB ASP A 32 -1.516 -4.976 -12.000 1.00 0.67 C ATOM 512 CG ASP A 32 -1.370 -5.797 -13.274 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.356 -5.979 -14.038 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.242 -6.319 -13.483 1.00 1.55 O ATOM 0 H ASP A 32 -2.300 -3.578 -9.982 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.632 -5.202 -11.965 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.408 -3.922 -12.257 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.691 -5.227 -11.334 1.00 0.67 H new ATOM 519 N LYS A 33 -2.478 -6.650 -9.267 1.00 0.62 N ATOM 520 CA LYS A 33 -2.646 -7.790 -8.419 1.00 0.73 C ATOM 521 C LYS A 33 -4.087 -8.091 -8.194 1.00 0.69 C ATOM 522 O LYS A 33 -4.549 -9.122 -8.682 1.00 0.83 O ATOM 523 CB LYS A 33 -2.043 -7.554 -7.024 1.00 0.85 C ATOM 524 CG LYS A 33 -0.534 -7.777 -6.898 1.00 1.31 C ATOM 525 CD LYS A 33 -0.105 -9.244 -6.832 1.00 1.71 C ATOM 526 CE LYS A 33 1.420 -9.359 -6.877 1.00 2.26 C ATOM 527 NZ LYS A 33 1.976 -10.626 -6.354 1.00 2.62 N ATOM 0 H LYS A 33 -1.926 -5.927 -8.805 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.143 -8.611 -8.930 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.265 -6.530 -6.723 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.548 -8.211 -6.316 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.039 -7.306 -7.748 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.180 -7.269 -6.001 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.483 -9.699 -5.916 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.542 -9.795 -7.665 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.746 -9.238 -7.910 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.847 -8.533 -6.309 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.568 -10.428 -5.522 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.198 -11.260 -6.082 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.553 -11.082 -7.089 1.00 2.62 H new ATOM 541 N GLU A 34 -4.869 -7.230 -7.519 1.00 0.63 N ATOM 542 CA GLU A 34 -6.188 -7.450 -7.011 1.00 0.67 C ATOM 543 C GLU A 34 -7.290 -6.955 -7.881 1.00 0.69 C ATOM 544 O GLU A 34 -8.401 -7.483 -7.863 1.00 0.95 O ATOM 545 CB GLU A 34 -6.319 -7.008 -5.544 1.00 0.73 C ATOM 546 CG GLU A 34 -5.185 -7.593 -4.701 1.00 0.83 C ATOM 547 CD GLU A 34 -5.249 -9.109 -4.577 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.368 -9.651 -4.374 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.157 -9.727 -4.691 1.00 1.37 O ATOM 0 H GLU A 34 -4.543 -6.287 -7.309 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.323 -8.531 -7.031 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.300 -5.920 -5.484 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.280 -7.333 -5.145 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.230 -7.311 -5.144 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.217 -7.152 -3.705 1.00 0.83 H new ATOM 556 N GLY A 35 -7.098 -5.820 -8.578 1.00 0.63 N ATOM 557 CA GLY A 35 -8.120 -5.314 -9.441 1.00 0.68 C ATOM 558 C GLY A 35 -9.024 -4.321 -8.796 1.00 0.76 C ATOM 559 O GLY A 35 -10.232 -4.378 -9.021 1.00 1.12 O ATOM 0 H GLY A 35 -6.247 -5.259 -8.545 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.651 -4.852 -10.310 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.717 -6.149 -9.808 1.00 0.68 H new ATOM 563 N ILE A 36 -8.456 -3.359 -8.048 1.00 0.70 N ATOM 564 CA ILE A 36 -8.949 -2.266 -7.268 1.00 0.76 C ATOM 565 C ILE A 36 -8.540 -0.956 -7.851 1.00 0.71 C ATOM 566 O ILE A 36 -7.331 -0.740 -7.918 1.00 0.73 O ATOM 567 CB ILE A 36 -8.469 -2.305 -5.848 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.672 -3.682 -5.195 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.251 -1.261 -5.034 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.704 -4.021 -4.062 1.00 1.16 C ATOM 0 H ILE A 36 -7.438 -3.359 -7.986 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.034 -2.368 -7.280 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.400 -2.093 -5.856 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.690 -3.735 -4.808 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.584 -4.447 -5.966 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.912 -1.279 -3.998 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.081 -0.270 -5.455 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.315 -1.493 -5.071 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.934 -5.012 -3.672 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.682 -4.008 -4.441 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.805 -3.285 -3.265 1.00 1.16 H new ATOM 582 N PRO A 37 -9.335 0.028 -8.150 1.00 0.75 N ATOM 583 CA PRO A 37 -8.878 1.272 -8.698 1.00 0.79 C ATOM 584 C PRO A 37 -8.210 2.150 -7.698 1.00 0.75 C ATOM 585 O PRO A 37 -8.604 1.960 -6.548 1.00 0.75 O ATOM 586 CB PRO A 37 -10.125 1.846 -9.368 1.00 0.95 C ATOM 587 CG PRO A 37 -11.257 1.395 -8.430 1.00 1.02 C ATOM 588 CD PRO A 37 -10.788 -0.026 -8.083 1.00 0.85 C ATOM 0 HA PRO A 37 -8.071 1.157 -9.421 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.076 2.932 -9.450 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.257 1.456 -10.377 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.342 2.030 -7.548 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.230 1.401 -8.922 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.126 -0.321 -7.090 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.188 -0.756 -8.786 1.00 0.85 H new ATOM 596 N PRO A 38 -7.341 3.106 -7.842 1.00 0.81 N ATOM 597 CA PRO A 38 -6.664 3.789 -6.779 1.00 0.85 C ATOM 598 C PRO A 38 -7.476 4.621 -5.847 1.00 0.89 C ATOM 599 O PRO A 38 -6.930 5.060 -4.836 1.00 0.99 O ATOM 600 CB PRO A 38 -5.772 4.750 -7.561 1.00 1.01 C ATOM 601 CG PRO A 38 -5.400 4.046 -8.876 1.00 1.25 C ATOM 602 CD PRO A 38 -6.689 3.251 -9.135 1.00 0.98 C ATOM 0 HA PRO A 38 -6.212 3.046 -6.123 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.294 5.686 -7.759 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.878 4.998 -6.990 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.179 4.751 -9.677 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.528 3.401 -8.770 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.334 3.774 -9.840 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.465 2.277 -9.570 1.00 0.98 H new ATOM 610 N ASP A 39 -8.739 4.850 -6.253 1.00 0.96 N ATOM 611 CA ASP A 39 -9.755 5.531 -5.512 1.00 1.11 C ATOM 612 C ASP A 39 -10.138 4.824 -4.258 1.00 1.00 C ATOM 613 O ASP A 39 -10.330 5.394 -3.184 1.00 1.14 O ATOM 614 CB ASP A 39 -10.980 5.863 -6.380 1.00 1.39 C ATOM 615 CG ASP A 39 -11.754 6.966 -5.671 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.211 8.076 -5.427 1.00 2.25 O ATOM 617 OD2 ASP A 39 -12.984 6.797 -5.456 1.00 2.23 O ATOM 0 H ASP A 39 -9.072 4.536 -7.165 1.00 0.96 H new ATOM 0 HA ASP A 39 -9.313 6.478 -5.202 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.670 6.189 -7.373 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.606 4.981 -6.515 1.00 1.39 H new ATOM 622 N GLN A 40 -10.339 3.495 -4.310 1.00 0.87 N ATOM 623 CA GLN A 40 -10.794 2.790 -3.152 1.00 0.84 C ATOM 624 C GLN A 40 -9.612 2.459 -2.306 1.00 0.67 C ATOM 625 O GLN A 40 -9.709 1.790 -1.279 1.00 0.80 O ATOM 626 CB GLN A 40 -11.342 1.416 -3.573 1.00 0.95 C ATOM 627 CG GLN A 40 -12.595 1.596 -4.432 1.00 1.32 C ATOM 628 CD GLN A 40 -13.253 0.260 -4.751 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.702 -0.787 -4.416 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.497 0.251 -5.298 1.00 2.02 N ATOM 0 H GLN A 40 -10.190 2.917 -5.137 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.538 3.403 -2.643 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.583 0.868 -4.132 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.578 0.823 -2.690 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.306 2.237 -3.910 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.331 2.103 -5.360 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.941 1.128 -5.571 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.987 -0.633 -5.436 1.00 2.02 H new ATOM 639 N GLN A 41 -8.359 2.676 -2.745 1.00 0.56 N ATOM 640 CA GLN A 41 -7.246 2.188 -1.992 1.00 0.51 C ATOM 641 C GLN A 41 -6.786 3.243 -1.046 1.00 0.49 C ATOM 642 O GLN A 41 -6.556 4.372 -1.476 1.00 0.65 O ATOM 643 CB GLN A 41 -5.999 1.854 -2.831 1.00 0.67 C ATOM 644 CG GLN A 41 -6.382 0.867 -3.936 1.00 0.69 C ATOM 645 CD GLN A 41 -5.175 0.144 -4.515 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.246 -0.191 -3.782 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.180 -0.044 -5.862 1.00 0.61 N ATOM 0 H GLN A 41 -8.120 3.177 -3.601 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.617 1.280 -1.516 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.586 2.763 -3.267 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.224 1.424 -2.196 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.084 0.134 -3.537 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.898 1.402 -4.733 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.982 0.256 -6.416 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.382 -0.485 -6.318 1.00 0.61 H new ATOM 656 N ARG A 42 -6.606 2.944 0.254 1.00 0.47 N ATOM 657 CA ARG A 42 -6.042 3.740 1.299 1.00 0.55 C ATOM 658 C ARG A 42 -5.036 2.873 1.976 1.00 0.46 C ATOM 659 O ARG A 42 -5.329 1.784 2.464 1.00 0.52 O ATOM 660 CB ARG A 42 -7.131 4.122 2.314 1.00 0.73 C ATOM 661 CG ARG A 42 -6.636 4.950 3.502 1.00 1.04 C ATOM 662 CD ARG A 42 -7.656 5.296 4.588 1.00 1.28 C ATOM 663 NE ARG A 42 -8.652 6.251 4.025 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.864 6.605 4.542 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.467 5.860 5.514 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.695 7.494 3.923 1.00 2.78 N ATOM 0 H ARG A 42 -6.892 2.032 0.610 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.601 4.656 0.904 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.910 4.683 1.797 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.593 3.210 2.692 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.814 4.409 3.971 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.225 5.883 3.116 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.155 4.393 4.938 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.155 5.738 5.449 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.396 6.695 3.143 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.011 5.019 5.869 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.373 6.144 5.886 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.418 7.921 3.039 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.593 7.731 4.344 1.00 2.78 H new ATOM 680 N LEU A 43 -3.782 3.359 1.964 1.00 0.46 N ATOM 681 CA LEU A 43 -2.667 2.643 2.501 1.00 0.42 C ATOM 682 C LEU A 43 -2.166 3.203 3.788 1.00 0.43 C ATOM 683 O LEU A 43 -1.837 4.369 4.002 1.00 0.55 O ATOM 684 CB LEU A 43 -1.454 2.505 1.566 1.00 0.55 C ATOM 685 CG LEU A 43 -1.725 1.762 0.247 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.473 1.617 -0.634 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.377 0.374 0.375 1.00 1.12 C ATOM 0 H LEU A 43 -3.538 4.269 1.573 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.101 1.654 2.652 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.080 3.502 1.333 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.660 1.984 2.101 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.453 2.421 -0.226 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.732 1.084 -1.549 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.089 2.605 -0.886 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.290 1.058 -0.092 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.520 -0.054 -0.617 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.731 -0.279 0.962 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.343 0.470 0.871 1.00 1.12 H new ATOM 699 N ILE A 44 -2.180 2.284 4.772 1.00 0.42 N ATOM 700 CA ILE A 44 -1.694 2.582 6.083 1.00 0.46 C ATOM 701 C ILE A 44 -0.425 1.837 6.313 1.00 0.42 C ATOM 702 O ILE A 44 -0.382 0.611 6.228 1.00 0.53 O ATOM 703 CB ILE A 44 -2.738 2.278 7.117 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.147 2.831 6.845 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.267 2.661 8.530 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.156 4.351 6.694 1.00 1.27 C ATOM 0 H ILE A 44 -2.529 1.332 4.658 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.479 3.647 6.169 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.852 1.196 7.047 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.544 2.376 5.938 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.810 2.546 7.661 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.050 2.426 9.251 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.366 2.100 8.778 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.051 3.729 8.565 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.174 4.692 6.503 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.785 4.810 7.611 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.515 4.638 5.860 1.00 1.27 H new ATOM 718 N PHE A 45 0.689 2.514 6.645 1.00 0.42 N ATOM 719 CA PHE A 45 1.871 1.868 7.124 1.00 0.46 C ATOM 720 C PHE A 45 1.822 2.098 8.596 1.00 0.68 C ATOM 721 O PHE A 45 1.990 3.259 8.963 1.00 1.50 O ATOM 722 CB PHE A 45 3.194 2.425 6.570 1.00 0.56 C ATOM 723 CG PHE A 45 4.332 1.570 7.010 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.328 0.196 6.949 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.419 2.207 7.560 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.309 -0.533 7.579 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.435 1.434 8.071 1.00 1.33 C ATOM 728 CZ PHE A 45 6.431 0.059 8.108 1.00 1.02 C ATOM 0 H PHE A 45 0.770 3.529 6.579 1.00 0.42 H new ATOM 0 HA PHE A 45 1.871 0.825 6.809 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.155 2.461 5.481 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.341 3.448 6.918 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.549 -0.314 6.402 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.474 3.285 7.590 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.194 -1.604 7.661 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.299 1.943 8.472 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.248 -0.513 8.522 1.00 1.02 H new ATOM 738 N ALA A 46 1.608 1.047 9.406 1.00 0.81 N ATOM 739 CA ALA A 46 1.695 1.158 10.829 1.00 0.96 C ATOM 740 C ALA A 46 0.519 1.925 11.326 1.00 0.97 C ATOM 741 O ALA A 46 -0.479 1.284 11.650 1.00 1.21 O ATOM 742 CB ALA A 46 3.042 1.795 11.210 1.00 1.20 C ATOM 0 H ALA A 46 1.373 0.112 9.072 1.00 0.81 H new ATOM 0 HA ALA A 46 1.666 0.178 11.305 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.110 1.881 12.294 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.857 1.170 10.843 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.115 2.786 10.763 1.00 1.20 H new ATOM 748 N GLY A 47 0.625 3.256 11.498 1.00 0.99 N ATOM 749 CA GLY A 47 -0.504 4.035 11.904 1.00 1.10 C ATOM 750 C GLY A 47 -0.635 5.335 11.191 1.00 1.03 C ATOM 751 O GLY A 47 -1.364 6.173 11.719 1.00 1.30 O ATOM 0 H GLY A 47 1.484 3.788 11.357 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.411 3.452 11.743 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.434 4.226 12.975 1.00 1.10 H new ATOM 755 N LYS A 48 0.125 5.462 10.088 1.00 0.98 N ATOM 756 CA LYS A 48 0.175 6.609 9.234 1.00 1.05 C ATOM 757 C LYS A 48 -0.491 6.382 7.920 1.00 0.84 C ATOM 758 O LYS A 48 -0.173 5.395 7.257 1.00 0.81 O ATOM 759 CB LYS A 48 1.596 7.076 8.880 1.00 1.42 C ATOM 760 CG LYS A 48 2.481 7.399 10.086 1.00 1.61 C ATOM 761 CD LYS A 48 2.272 8.867 10.461 1.00 1.87 C ATOM 762 CE LYS A 48 3.253 9.366 11.524 1.00 2.22 C ATOM 763 NZ LYS A 48 4.623 9.363 10.962 1.00 2.55 N ATOM 0 H LYS A 48 0.744 4.715 9.773 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.338 7.363 9.831 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.082 6.301 8.287 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.526 7.963 8.250 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.227 6.753 10.926 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.528 7.214 9.848 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.373 9.481 9.566 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.253 9.000 10.825 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.981 10.372 11.844 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.208 8.728 12.406 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.241 9.956 11.552 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.989 8.390 10.945 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.602 9.742 9.994 1.00 2.55 H new ATOM 777 N GLN A 49 -1.336 7.315 7.446 1.00 0.84 N ATOM 778 CA GLN A 49 -1.927 7.264 6.145 1.00 0.80 C ATOM 779 C GLN A 49 -1.105 7.872 5.060 1.00 0.72 C ATOM 780 O GLN A 49 -0.787 9.057 4.971 1.00 0.83 O ATOM 781 CB GLN A 49 -3.249 8.041 6.255 1.00 1.03 C ATOM 782 CG GLN A 49 -4.250 7.868 5.111 1.00 1.67 C ATOM 783 CD GLN A 49 -5.519 8.695 5.256 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.536 8.334 5.846 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.418 9.959 4.766 1.00 2.48 N ATOM 0 H GLN A 49 -1.617 8.133 7.987 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.043 6.217 5.865 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.740 7.746 7.183 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.013 9.102 6.342 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.762 8.135 4.174 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.523 6.815 5.039 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.571 10.251 4.278 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.189 10.616 4.886 1.00 2.48 H new ATOM 794 N LEU A 50 -0.702 6.998 4.122 1.00 0.69 N ATOM 795 CA LEU A 50 0.234 7.322 3.091 1.00 0.66 C ATOM 796 C LEU A 50 -0.365 8.190 2.039 1.00 0.72 C ATOM 797 O LEU A 50 -1.535 8.014 1.702 1.00 0.90 O ATOM 798 CB LEU A 50 0.820 6.037 2.481 1.00 0.65 C ATOM 799 CG LEU A 50 1.470 5.166 3.569 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.004 3.918 2.846 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.548 5.760 4.491 1.00 0.74 C ATOM 0 H LEU A 50 -1.038 6.036 4.079 1.00 0.69 H new ATOM 0 HA LEU A 50 1.042 7.895 3.547 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.032 5.474 1.980 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.560 6.293 1.723 1.00 0.65 H new ATOM 0 HG LEU A 50 0.680 4.988 4.299 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.480 3.255 3.568 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.178 3.396 2.364 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.733 4.218 2.093 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.887 4.998 5.192 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.391 6.103 3.891 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.130 6.601 5.044 1.00 0.74 H new ATOM 813 N GLU A 51 0.447 9.121 1.505 1.00 0.70 N ATOM 814 CA GLU A 51 0.049 9.943 0.405 1.00 0.76 C ATOM 815 C GLU A 51 0.556 9.520 -0.930 1.00 0.77 C ATOM 816 O GLU A 51 1.724 9.233 -1.187 1.00 1.23 O ATOM 817 CB GLU A 51 0.275 11.428 0.734 1.00 0.88 C ATOM 818 CG GLU A 51 -0.096 12.339 -0.438 1.00 1.35 C ATOM 819 CD GLU A 51 -0.008 13.773 0.063 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.597 14.122 1.120 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.774 14.540 -0.560 1.00 1.94 O ATOM 0 H GLU A 51 1.392 9.305 1.841 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.024 9.793 0.283 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.319 11.700 1.607 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.321 11.585 0.998 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.582 12.182 -1.277 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.102 12.117 -0.795 1.00 1.35 H new ATOM 828 N ASP A 52 -0.321 9.603 -1.947 1.00 0.66 N ATOM 829 CA ASP A 52 -0.192 9.213 -3.317 1.00 0.65 C ATOM 830 C ASP A 52 1.011 9.622 -4.094 1.00 0.60 C ATOM 831 O ASP A 52 1.656 8.763 -4.694 1.00 0.62 O ATOM 832 CB ASP A 52 -1.474 9.713 -4.005 1.00 0.81 C ATOM 833 CG ASP A 52 -2.746 9.330 -3.260 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.317 8.218 -3.413 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.265 10.199 -2.510 1.00 1.44 O ATOM 0 H ASP A 52 -1.246 9.999 -1.779 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.049 8.133 -3.303 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.429 10.798 -4.098 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.517 9.308 -5.016 1.00 0.81 H new ATOM 840 N GLY A 53 1.441 10.895 -4.042 1.00 0.68 N ATOM 841 CA GLY A 53 2.664 11.415 -4.571 1.00 0.73 C ATOM 842 C GLY A 53 3.751 11.697 -3.591 1.00 0.72 C ATOM 843 O GLY A 53 4.450 12.709 -3.593 1.00 0.97 O ATOM 0 H GLY A 53 0.884 11.621 -3.591 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.045 10.707 -5.307 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.439 12.339 -5.104 1.00 0.73 H new ATOM 847 N ARG A 54 3.998 10.769 -2.651 1.00 0.64 N ATOM 848 CA ARG A 54 5.169 10.761 -1.832 1.00 0.63 C ATOM 849 C ARG A 54 5.848 9.486 -2.201 1.00 0.59 C ATOM 850 O ARG A 54 5.209 8.495 -2.552 1.00 0.62 O ATOM 851 CB ARG A 54 4.976 10.619 -0.312 1.00 0.69 C ATOM 852 CG ARG A 54 4.036 11.703 0.220 1.00 0.82 C ATOM 853 CD ARG A 54 4.473 13.157 0.026 1.00 1.18 C ATOM 854 NE ARG A 54 3.414 13.988 0.665 1.00 1.50 N ATOM 855 CZ ARG A 54 3.522 14.585 1.887 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.635 14.553 2.678 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.425 15.285 2.299 1.00 2.49 N ATOM 0 H ARG A 54 3.361 9.997 -2.454 1.00 0.64 H new ATOM 0 HA ARG A 54 5.665 11.716 -2.002 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.569 9.634 -0.083 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.941 10.690 0.190 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.065 11.574 -0.258 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.891 11.532 1.287 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.444 13.338 0.487 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.573 13.397 -1.032 1.00 1.18 H new ATOM 0 HE ARG A 54 2.543 14.120 0.150 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.469 14.055 2.366 1.00 2.48 H new ATOM 0 HH12 ARG A 54 4.633 15.027 3.581 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.598 15.335 1.703 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.432 15.758 3.202 1.00 2.49 H new ATOM 871 N THR A 55 7.140 9.298 -1.875 1.00 0.63 N ATOM 872 CA THR A 55 7.702 7.992 -2.023 1.00 0.61 C ATOM 873 C THR A 55 7.800 7.179 -0.778 1.00 0.59 C ATOM 874 O THR A 55 7.759 7.623 0.369 1.00 0.64 O ATOM 875 CB THR A 55 9.036 7.982 -2.709 1.00 0.68 C ATOM 876 OG1 THR A 55 10.034 8.615 -1.921 1.00 0.75 O ATOM 877 CG2 THR A 55 9.040 8.596 -4.118 1.00 0.76 C ATOM 0 H THR A 55 7.773 10.017 -1.523 1.00 0.63 H new ATOM 0 HA THR A 55 6.958 7.514 -2.660 1.00 0.61 H new ATOM 0 HB THR A 55 9.265 6.923 -2.828 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.718 9.499 -1.641 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.046 8.544 -4.534 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.353 8.042 -4.758 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.723 9.638 -4.062 1.00 0.76 H new ATOM 885 N LEU A 56 7.998 5.868 -1.004 1.00 0.58 N ATOM 886 CA LEU A 56 8.238 4.914 0.033 1.00 0.59 C ATOM 887 C LEU A 56 9.429 5.265 0.856 1.00 0.64 C ATOM 888 O LEU A 56 9.479 5.078 2.071 1.00 0.70 O ATOM 889 CB LEU A 56 8.551 3.566 -0.639 1.00 0.60 C ATOM 890 CG LEU A 56 7.291 2.893 -1.208 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.579 2.057 -2.466 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.524 1.989 -0.228 1.00 1.03 C ATOM 0 H LEU A 56 7.991 5.459 -1.938 1.00 0.58 H new ATOM 0 HA LEU A 56 7.358 4.886 0.676 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.272 3.721 -1.442 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.020 2.901 0.086 1.00 0.60 H new ATOM 0 HG LEU A 56 6.662 3.752 -1.442 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.653 1.606 -2.823 1.00 1.05 H new ATOM 0 HD12 LEU A 56 7.993 2.700 -3.243 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.296 1.272 -2.225 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.654 1.565 -0.729 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.176 1.184 0.111 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.198 2.577 0.630 1.00 1.03 H new ATOM 904 N SER A 57 10.460 5.826 0.199 1.00 0.68 N ATOM 905 CA SER A 57 11.652 6.232 0.878 1.00 0.75 C ATOM 906 C SER A 57 11.507 7.360 1.841 1.00 0.76 C ATOM 907 O SER A 57 12.083 7.407 2.926 1.00 0.84 O ATOM 908 CB SER A 57 12.735 6.608 -0.148 1.00 0.84 C ATOM 909 OG SER A 57 14.041 6.546 0.406 1.00 1.19 O ATOM 0 H SER A 57 10.468 5.999 -0.806 1.00 0.68 H new ATOM 0 HA SER A 57 11.926 5.364 1.477 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.672 5.935 -1.003 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.547 7.615 -0.520 1.00 0.84 H new ATOM 0 HG SER A 57 14.699 6.790 -0.278 1.00 1.19 H new ATOM 915 N ASP A 58 10.662 8.341 1.477 1.00 0.75 N ATOM 916 CA ASP A 58 10.251 9.449 2.283 1.00 0.78 C ATOM 917 C ASP A 58 9.640 9.071 3.588 1.00 0.77 C ATOM 918 O ASP A 58 9.824 9.793 4.567 1.00 0.86 O ATOM 919 CB ASP A 58 9.273 10.390 1.559 1.00 0.83 C ATOM 920 CG ASP A 58 9.827 10.989 0.276 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.917 11.606 0.412 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.184 10.959 -0.808 1.00 1.90 O ATOM 0 H ASP A 58 10.235 8.360 0.551 1.00 0.75 H new ATOM 0 HA ASP A 58 11.191 9.965 2.479 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.361 9.841 1.327 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.995 11.199 2.235 1.00 0.83 H new ATOM 927 N TYR A 59 8.936 7.927 3.668 1.00 0.72 N ATOM 928 CA TYR A 59 8.296 7.494 4.870 1.00 0.73 C ATOM 929 C TYR A 59 9.172 6.555 5.625 1.00 0.76 C ATOM 930 O TYR A 59 8.951 6.223 6.789 1.00 0.89 O ATOM 931 CB TYR A 59 7.032 6.701 4.498 1.00 0.73 C ATOM 932 CG TYR A 59 5.963 7.600 3.979 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.527 8.626 4.786 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.323 7.327 2.793 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.534 9.478 4.366 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.300 8.161 2.408 1.00 0.70 C ATOM 937 CZ TYR A 59 3.894 9.227 3.175 1.00 0.74 C ATOM 938 OH TYR A 59 2.790 10.040 2.841 1.00 0.86 O ATOM 0 H TYR A 59 8.809 7.291 2.881 1.00 0.72 H new ATOM 0 HA TYR A 59 8.072 8.375 5.472 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.278 5.952 3.745 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.666 6.164 5.373 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.971 8.763 5.761 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.615 6.484 2.183 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.260 10.334 4.964 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.798 7.972 1.471 1.00 0.70 H new ATOM 0 HH TYR A 59 2.909 10.930 3.233 1.00 0.86 H new ATOM 948 N ASN A 60 10.272 6.195 4.939 1.00 0.74 N ATOM 949 CA ASN A 60 11.256 5.218 5.289 1.00 0.79 C ATOM 950 C ASN A 60 10.775 3.808 5.247 1.00 0.75 C ATOM 951 O ASN A 60 11.061 3.013 6.141 1.00 0.86 O ATOM 952 CB ASN A 60 11.978 5.517 6.613 1.00 0.95 C ATOM 953 CG ASN A 60 12.556 6.924 6.541 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.269 7.725 7.428 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.506 7.196 5.607 1.00 1.83 N ATOM 0 H ASN A 60 10.492 6.636 4.046 1.00 0.74 H new ATOM 0 HA ASN A 60 11.991 5.311 4.490 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.284 5.435 7.450 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.772 4.790 6.784 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.004 8.086 5.630 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.721 6.510 4.884 1.00 1.83 H new ATOM 962 N ILE A 61 10.012 3.452 4.198 1.00 0.67 N ATOM 963 CA ILE A 61 9.523 2.109 4.146 1.00 0.65 C ATOM 964 C ILE A 61 10.604 1.292 3.527 1.00 0.66 C ATOM 965 O ILE A 61 11.142 1.507 2.441 1.00 0.75 O ATOM 966 CB ILE A 61 8.235 2.049 3.379 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.208 2.908 4.137 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.701 0.625 3.151 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.810 2.958 3.524 1.00 0.82 C ATOM 0 H ILE A 61 9.744 4.058 3.422 1.00 0.67 H new ATOM 0 HA ILE A 61 9.290 1.719 5.137 1.00 0.65 H new ATOM 0 HB ILE A 61 8.418 2.433 2.376 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.125 2.529 5.156 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.592 3.926 4.205 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.768 0.672 2.590 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.434 0.047 2.588 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.522 0.145 4.113 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.167 3.590 4.136 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.869 3.369 2.516 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.395 1.951 3.481 1.00 0.82 H new ATOM 981 N GLN A 62 10.995 0.175 4.165 1.00 0.67 N ATOM 982 CA GLN A 62 12.048 -0.716 3.786 1.00 0.70 C ATOM 983 C GLN A 62 11.434 -1.986 3.308 1.00 0.62 C ATOM 984 O GLN A 62 10.220 -2.183 3.343 1.00 0.64 O ATOM 985 CB GLN A 62 13.070 -0.985 4.904 1.00 0.85 C ATOM 986 CG GLN A 62 13.884 0.260 5.264 1.00 1.27 C ATOM 987 CD GLN A 62 14.874 0.112 6.410 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.828 -0.651 6.264 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.684 0.770 7.585 1.00 2.16 N ATOM 0 H GLN A 62 10.533 -0.130 5.021 1.00 0.67 H new ATOM 0 HA GLN A 62 12.621 -0.237 2.992 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.548 -1.343 5.791 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.747 -1.780 4.590 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.433 0.578 4.377 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.189 1.062 5.514 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.889 1.400 7.694 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.336 0.633 8.357 1.00 2.16 H new ATOM 998 N LYS A 63 12.327 -2.914 2.919 1.00 0.64 N ATOM 999 CA LYS A 63 12.169 -4.308 2.640 1.00 0.62 C ATOM 1000 C LYS A 63 11.534 -5.109 3.724 1.00 0.59 C ATOM 1001 O LYS A 63 11.738 -4.848 4.909 1.00 0.66 O ATOM 1002 CB LYS A 63 13.475 -4.916 2.103 1.00 0.74 C ATOM 1003 CG LYS A 63 13.353 -6.357 1.604 1.00 0.89 C ATOM 1004 CD LYS A 63 14.664 -6.807 0.955 1.00 1.11 C ATOM 1005 CE LYS A 63 15.909 -6.821 1.845 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.107 -7.030 1.000 1.00 2.12 N ATOM 0 H LYS A 63 13.300 -2.640 2.782 1.00 0.64 H new ATOM 0 HA LYS A 63 11.427 -4.366 1.843 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.841 -4.293 1.287 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.227 -4.882 2.892 1.00 0.74 H new ATOM 0 HG2 LYS A 63 13.105 -7.017 2.435 1.00 0.89 H new ATOM 0 HG3 LYS A 63 12.538 -6.432 0.884 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.519 -7.812 0.559 1.00 1.11 H new ATOM 0 HD3 LYS A 63 14.863 -6.155 0.104 1.00 1.11 H new ATOM 0 HE2 LYS A 63 15.992 -5.880 2.389 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.831 -7.614 2.589 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.957 -7.041 1.599 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.025 -7.938 0.500 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.182 -6.258 0.307 1.00 2.12 H new ATOM 1020 N GLU A 64 10.632 -6.040 3.363 1.00 0.57 N ATOM 1021 CA GLU A 64 10.018 -7.028 4.194 1.00 0.58 C ATOM 1022 C GLU A 64 8.921 -6.573 5.094 1.00 0.56 C ATOM 1023 O GLU A 64 8.279 -7.304 5.846 1.00 0.70 O ATOM 1024 CB GLU A 64 10.979 -7.990 4.912 1.00 0.72 C ATOM 1025 CG GLU A 64 11.758 -7.470 6.123 1.00 0.96 C ATOM 1026 CD GLU A 64 12.560 -8.523 6.873 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.006 -9.320 7.677 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.809 -8.490 6.713 1.00 1.69 O ATOM 0 H GLU A 64 10.304 -6.105 2.399 1.00 0.57 H new ATOM 0 HA GLU A 64 9.517 -7.612 3.423 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.402 -8.856 5.235 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.703 -8.345 4.179 1.00 0.72 H new ATOM 0 HG2 GLU A 64 12.438 -6.687 5.789 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.056 -7.008 6.817 1.00 0.96 H new ATOM 1035 N SER A 65 8.621 -5.272 4.934 1.00 0.51 N ATOM 1036 CA SER A 65 7.644 -4.623 5.753 1.00 0.51 C ATOM 1037 C SER A 65 6.254 -5.072 5.461 1.00 0.43 C ATOM 1038 O SER A 65 6.023 -5.568 4.359 1.00 0.50 O ATOM 1039 CB SER A 65 7.668 -3.089 5.664 1.00 0.65 C ATOM 1040 OG SER A 65 8.338 -2.506 6.772 1.00 1.04 O ATOM 0 H SER A 65 9.056 -4.668 4.236 1.00 0.51 H new ATOM 0 HA SER A 65 7.930 -4.920 6.762 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.162 -2.786 4.741 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.646 -2.712 5.618 1.00 0.65 H new ATOM 0 HG SER A 65 7.791 -1.781 7.141 1.00 1.04 H new ATOM 1046 N THR A 66 5.304 -4.787 6.369 1.00 0.45 N ATOM 1047 CA THR A 66 3.903 -5.042 6.242 1.00 0.45 C ATOM 1048 C THR A 66 3.178 -3.744 6.332 1.00 0.43 C ATOM 1049 O THR A 66 3.239 -2.980 7.295 1.00 0.58 O ATOM 1050 CB THR A 66 3.289 -5.926 7.288 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.871 -7.218 7.376 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.823 -6.312 7.028 1.00 0.78 C ATOM 0 H THR A 66 5.534 -4.345 7.259 1.00 0.45 H new ATOM 0 HA THR A 66 3.808 -5.561 5.288 1.00 0.45 H new ATOM 0 HB THR A 66 3.436 -5.300 8.168 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.421 -7.733 8.078 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.466 -6.951 7.836 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.212 -5.410 6.982 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.750 -6.849 6.082 1.00 0.78 H new ATOM 1060 N LEU A 67 2.426 -3.436 5.260 1.00 0.38 N ATOM 1061 CA LEU A 67 1.556 -2.309 5.120 1.00 0.38 C ATOM 1062 C LEU A 67 0.187 -2.865 5.305 1.00 0.37 C ATOM 1063 O LEU A 67 -0.027 -4.076 5.361 1.00 0.50 O ATOM 1064 CB LEU A 67 1.790 -1.771 3.699 1.00 0.46 C ATOM 1065 CG LEU A 67 2.876 -0.687 3.585 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.301 -1.255 3.687 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.731 0.213 2.347 1.00 1.31 C ATOM 0 H LEU A 67 2.428 -4.023 4.426 1.00 0.38 H new ATOM 0 HA LEU A 67 1.716 -1.494 5.826 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.061 -2.605 3.051 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.852 -1.365 3.321 1.00 0.46 H new ATOM 0 HG LEU A 67 2.710 -0.049 4.453 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.023 -0.443 3.600 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.427 -1.751 4.649 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.464 -1.974 2.884 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.533 0.951 2.338 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.788 -0.397 1.445 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.768 0.724 2.379 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.808 -1.961 5.337 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.177 -2.343 5.492 1.00 0.37 C ATOM 1081 C HIS A 68 -2.948 -1.640 4.427 1.00 0.35 C ATOM 1082 O HIS A 68 -2.668 -0.486 4.103 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.726 -1.771 6.810 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.032 -2.181 8.075 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.686 -1.300 9.079 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.308 -3.313 8.291 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.004 -2.019 10.011 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.655 -3.185 9.500 1.00 1.51 N ATOM 0 H HIS A 68 -0.662 -0.955 5.255 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.259 -3.429 5.459 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.696 -0.683 6.745 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.775 -2.057 6.892 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -1.254 -4.165 7.630 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.782 -1.687 11.014 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.021 -3.865 9.920 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.938 -2.353 3.863 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.786 -2.033 2.758 1.00 0.38 C ATOM 1098 C LEU A 69 -6.161 -1.859 3.305 1.00 0.41 C ATOM 1099 O LEU A 69 -6.829 -2.821 3.681 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.755 -3.103 1.654 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.664 -2.857 0.438 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.750 -1.476 -0.233 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.337 -3.883 -0.661 1.00 1.14 C ATOM 0 H LEU A 69 -4.170 -3.274 4.234 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.434 -1.120 2.278 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.729 -3.199 1.300 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.030 -4.060 2.098 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.642 -2.950 0.909 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.447 -1.521 -1.070 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -6.100 -0.741 0.492 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.764 -1.186 -0.597 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.981 -3.710 -1.524 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.294 -3.777 -0.959 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.504 -4.890 -0.280 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.667 -0.613 3.299 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.987 -0.256 3.722 1.00 0.56 C ATOM 1117 C VAL A 70 -8.781 0.208 2.550 1.00 0.55 C ATOM 1118 O VAL A 70 -8.401 1.138 1.839 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.811 0.901 4.659 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.053 1.573 5.268 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.908 0.483 5.831 1.00 0.97 C ATOM 0 H VAL A 70 -6.125 0.190 2.981 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.500 -1.099 4.185 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.391 1.656 3.995 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.742 2.389 5.920 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.682 1.966 4.470 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.616 0.841 5.847 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.781 1.325 6.511 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.367 -0.349 6.365 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.935 0.176 5.449 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.929 -0.445 2.296 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.830 -0.106 1.239 1.00 0.84 C ATOM 1133 C LEU A 71 -11.813 0.930 1.666 1.00 0.85 C ATOM 1134 O LEU A 71 -12.166 1.069 2.836 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.557 -1.355 0.714 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.650 -2.415 0.066 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.614 -3.417 -0.589 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.800 -1.830 -1.075 1.00 2.78 C ATOM 0 H LEU A 71 -10.242 -1.242 2.850 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.235 0.314 0.428 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.096 -1.817 1.541 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.303 -1.042 -0.017 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.981 -2.835 0.817 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.042 -4.208 -1.075 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.260 -3.852 0.174 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.225 -2.903 -1.331 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.176 -2.614 -1.503 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.455 -1.427 -1.847 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.166 -1.034 -0.685 1.00 2.78 H new