USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= 0.93 K(o=1.9,f=-3.1) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -106:sc= 0.929 (180deg=-0.00529) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 155:sc= -0.186 (180deg=-1.04) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 145:sc= 2.04 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 170:sc=-0.000516 (180deg=-0.0442) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.2 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.04 (180deg=0.37) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.7 (180deg=1.6) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0796) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.202 K(o=0.2,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.691 K(o=0.69,f=-9.2!) USER MOD Single : A 55 THR OG1 : rot -18:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00657 X(o=-0.0066,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00561 X(o=-0.0056,f=-0.031) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.687 -7.128 -4.682 1.00 9.67 N ATOM 2 CA MET A 1 11.484 -7.515 -3.260 1.00 10.38 C ATOM 3 C MET A 1 10.037 -7.694 -2.808 1.00 9.62 C ATOM 4 O MET A 1 9.091 -7.255 -3.494 1.00 9.62 O ATOM 5 CB MET A 1 12.182 -6.609 -2.235 1.00 13.77 C ATOM 6 CG MET A 1 11.557 -5.206 -1.863 1.00 16.29 C ATOM 7 SD MET A 1 12.692 -3.870 -1.522 1.00 17.17 S ATOM 8 CE MET A 1 11.412 -2.740 -1.307 1.00 16.11 C ATOM 0 H1 MET A 1 12.556 -6.562 -4.767 1.00 9.67 H new ATOM 0 H2 MET A 1 11.773 -7.984 -5.266 1.00 9.67 H new ATOM 0 H3 MET A 1 10.875 -6.566 -5.008 1.00 9.67 H new ATOM 0 HA MET A 1 11.961 -8.495 -3.270 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.274 -7.178 -1.310 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.193 -6.427 -2.599 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.909 -4.897 -2.683 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.922 -5.341 -0.988 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.811 -1.811 -0.900 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.938 -2.541 -2.268 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.675 -3.152 -0.617 1.00 16.11 H new ATOM 20 N GLN A 2 9.758 -8.314 -1.648 1.00 9.27 N ATOM 21 CA GLN A 2 8.389 -8.530 -1.221 1.00 9.07 C ATOM 22 C GLN A 2 8.009 -7.581 -0.141 1.00 8.72 C ATOM 23 O GLN A 2 8.840 -7.288 0.706 1.00 8.22 O ATOM 24 CB GLN A 2 8.349 -9.976 -0.675 1.00 14.46 C ATOM 25 CG GLN A 2 8.589 -10.970 -1.892 1.00 17.01 C ATOM 26 CD GLN A 2 8.488 -12.427 -1.455 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.877 -12.687 -0.440 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.172 -13.311 -2.168 1.00 19.49 N ATOM 0 H GLN A 2 10.465 -8.667 -1.003 1.00 9.27 H new ATOM 0 HA GLN A 2 7.693 -8.374 -2.045 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.115 -10.116 0.088 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.388 -10.178 -0.202 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.856 -10.772 -2.674 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.573 -10.786 -2.324 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.662 -13.016 -3.013 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.209 -14.286 -1.872 1.00 19.49 H new ATOM 37 N ILE A 3 6.732 -7.014 -0.192 1.00 5.87 N ATOM 38 CA ILE A 3 6.147 -6.411 0.991 1.00 5.07 C ATOM 39 C ILE A 3 4.896 -7.210 1.390 1.00 4.01 C ATOM 40 O ILE A 3 4.277 -7.830 0.514 1.00 4.61 O ATOM 41 CB ILE A 3 5.839 -4.917 0.805 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.855 -4.598 -0.313 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.073 -4.029 0.585 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.106 -3.236 -0.293 1.00 10.83 C ATOM 0 H ILE A 3 6.145 -6.984 -1.026 1.00 5.87 H new ATOM 0 HA ILE A 3 6.877 -6.455 1.799 1.00 5.07 H new ATOM 0 HB ILE A 3 5.384 -4.682 1.767 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.397 -4.661 -1.256 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.103 -5.387 -0.324 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.758 -2.992 0.464 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.737 -4.108 1.446 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.601 -4.355 -0.311 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.446 -3.171 -1.158 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.516 -3.159 0.620 1.00 10.83 H new ATOM 0 HD13 ILE A 3 4.830 -2.422 -0.327 1.00 10.83 H new ATOM 56 N PHE A 4 4.538 -7.198 2.695 1.00 4.55 N ATOM 57 CA PHE A 4 3.337 -7.965 3.187 1.00 4.68 C ATOM 58 C PHE A 4 2.279 -6.995 3.683 1.00 5.30 C ATOM 59 O PHE A 4 2.542 -6.135 4.529 1.00 5.58 O ATOM 60 CB PHE A 4 3.798 -8.883 4.370 1.00 4.83 C ATOM 61 CG PHE A 4 5.094 -9.564 4.094 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.300 -10.367 2.960 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.133 -9.543 4.996 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.559 -10.952 2.728 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.370 -10.177 4.800 1.00 10.61 C ATOM 66 CZ PHE A 4 7.628 -10.836 3.551 1.00 8.90 C ATOM 0 H PHE A 4 5.039 -6.685 3.420 1.00 4.55 H new ATOM 0 HA PHE A 4 2.916 -8.565 2.380 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.892 -8.283 5.275 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.031 -9.633 4.563 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.491 -10.536 2.265 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.987 -9.001 5.919 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.681 -11.536 1.828 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.118 -10.169 5.579 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.605 -11.212 3.287 1.00 8.90 H new ATOM 76 N VAL A 5 0.996 -7.036 3.162 1.00 4.44 N ATOM 77 CA VAL A 5 0.146 -5.928 3.389 1.00 3.87 C ATOM 78 C VAL A 5 -0.998 -6.529 4.196 1.00 4.93 C ATOM 79 O VAL A 5 -1.753 -7.394 3.709 1.00 6.84 O ATOM 80 CB VAL A 5 -0.363 -5.385 2.090 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.307 -4.162 2.303 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.858 -5.096 1.157 1.00 9.13 C ATOM 0 H VAL A 5 0.597 -7.803 2.620 1.00 4.44 H new ATOM 0 HA VAL A 5 0.644 -5.101 3.895 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.991 -6.124 1.593 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.654 -3.798 1.336 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.163 -4.464 2.906 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.764 -3.368 2.816 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.503 -4.700 0.206 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.514 -4.367 1.632 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.409 -6.020 0.982 1.00 9.13 H new ATOM 92 N LYS A 6 -1.085 -6.073 5.480 1.00 6.04 N ATOM 93 CA LYS A 6 -2.252 -6.318 6.284 1.00 6.12 C ATOM 94 C LYS A 6 -3.556 -5.658 5.925 1.00 6.57 C ATOM 95 O LYS A 6 -3.657 -4.476 5.644 1.00 5.76 O ATOM 96 CB LYS A 6 -2.009 -6.218 7.845 1.00 7.45 C ATOM 97 CG LYS A 6 -0.733 -6.916 8.223 1.00 11.12 C ATOM 98 CD LYS A 6 -0.483 -6.850 9.764 1.00 14.54 C ATOM 99 CE LYS A 6 -1.347 -7.827 10.595 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.157 -9.142 10.043 1.00 20.55 N ATOM 0 H LYS A 6 -0.351 -5.542 5.949 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.404 -7.357 5.992 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.961 -5.171 8.146 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.847 -6.665 8.379 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.778 -7.957 7.904 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.104 -6.457 7.697 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.569 -7.060 9.958 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.674 -5.833 10.107 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.052 -7.804 11.644 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.398 -7.541 10.554 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.349 -9.856 10.774 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.808 -9.280 9.244 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.176 -9.241 9.712 1.00 20.55 H new ATOM 114 N THR A 7 -4.652 -6.441 5.993 1.00 7.41 N ATOM 115 CA THR A 7 -6.020 -5.890 5.655 1.00 7.48 C ATOM 116 C THR A 7 -6.898 -5.683 6.894 1.00 8.75 C ATOM 117 O THR A 7 -6.645 -6.103 8.007 1.00 8.58 O ATOM 118 CB THR A 7 -6.814 -6.796 4.617 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.221 -8.039 5.173 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.051 -7.046 3.376 1.00 9.17 C ATOM 0 H THR A 7 -4.642 -7.424 6.266 1.00 7.41 H new ATOM 0 HA THR A 7 -5.816 -4.923 5.196 1.00 7.48 H new ATOM 0 HB THR A 7 -7.704 -6.218 4.368 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.090 -8.296 4.799 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.642 -7.669 2.705 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.829 -6.097 2.888 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.119 -7.556 3.619 1.00 9.17 H new ATOM 128 N LEU A 8 -8.101 -5.087 6.683 1.00 9.84 N ATOM 129 CA LEU A 8 -9.137 -4.963 7.730 1.00 14.15 C ATOM 130 C LEU A 8 -10.006 -6.151 7.894 1.00 17.37 C ATOM 131 O LEU A 8 -10.804 -6.288 8.825 1.00 17.01 O ATOM 132 CB LEU A 8 -10.049 -3.762 7.370 1.00 16.63 C ATOM 133 CG LEU A 8 -9.256 -2.445 7.236 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.148 -1.471 6.368 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.913 -1.793 8.561 1.00 18.59 C ATOM 0 H LEU A 8 -8.374 -4.683 5.787 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.600 -4.837 8.670 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.566 -3.969 6.433 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.814 -3.647 8.138 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.294 -2.663 6.771 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.631 -0.520 6.242 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.329 -1.918 5.390 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.100 -1.303 6.872 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.356 -0.873 8.381 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.831 -1.561 9.101 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.305 -2.475 9.155 1.00 18.59 H new ATOM 147 N THR A 9 -9.787 -7.100 7.003 1.00 18.33 N ATOM 148 CA THR A 9 -10.433 -8.413 6.791 1.00 19.24 C ATOM 149 C THR A 9 -9.586 -9.592 7.273 1.00 19.48 C ATOM 150 O THR A 9 -9.871 -10.727 6.974 1.00 23.14 O ATOM 151 CB THR A 9 -10.822 -8.584 5.313 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.783 -8.376 4.398 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.929 -7.590 4.970 1.00 19.70 C ATOM 0 H THR A 9 -9.053 -6.962 6.308 1.00 18.33 H new ATOM 0 HA THR A 9 -11.334 -8.420 7.405 1.00 19.24 H new ATOM 0 HB THR A 9 -11.131 -9.625 5.218 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.119 -8.507 3.487 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.210 -7.705 3.923 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.797 -7.780 5.602 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.572 -6.574 5.140 1.00 19.70 H new ATOM 161 N GLY A 10 -8.536 -9.278 8.112 1.00 19.43 N ATOM 162 CA GLY A 10 -7.654 -10.314 8.589 1.00 18.74 C ATOM 163 C GLY A 10 -6.762 -11.010 7.659 1.00 17.62 C ATOM 164 O GLY A 10 -6.241 -12.063 7.994 1.00 19.74 O ATOM 0 H GLY A 10 -8.317 -8.338 8.441 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.030 -9.874 9.367 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.275 -11.071 9.069 1.00 18.74 H new ATOM 168 N LYS A 11 -6.498 -10.490 6.453 1.00 13.56 N ATOM 169 CA LYS A 11 -5.684 -11.116 5.426 1.00 11.91 C ATOM 170 C LYS A 11 -4.324 -10.431 5.327 1.00 10.18 C ATOM 171 O LYS A 11 -4.159 -9.246 5.636 1.00 9.10 O ATOM 172 CB LYS A 11 -6.417 -11.017 4.029 1.00 13.43 C ATOM 173 CG LYS A 11 -7.907 -11.447 3.948 1.00 16.69 C ATOM 174 CD LYS A 11 -8.635 -11.153 2.594 1.00 17.92 C ATOM 175 CE LYS A 11 -7.973 -11.965 1.416 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.890 -11.930 0.288 1.00 21.93 N ATOM 0 H LYS A 11 -6.865 -9.584 6.163 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.536 -12.162 5.694 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.350 -9.983 3.691 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.857 -11.622 3.316 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.966 -12.518 4.144 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.453 -10.946 4.747 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.689 -11.418 2.677 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.591 -10.086 2.376 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.013 -11.528 1.142 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.780 -12.994 1.721 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.421 -12.324 -0.553 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.735 -12.494 0.510 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.170 -10.947 0.099 1.00 21.93 H new ATOM 190 N THR A 12 -3.236 -11.217 5.068 1.00 9.63 N ATOM 191 CA THR A 12 -1.886 -10.728 5.046 1.00 9.85 C ATOM 192 C THR A 12 -1.392 -11.104 3.679 1.00 11.66 C ATOM 193 O THR A 12 -1.194 -12.308 3.478 1.00 12.33 O ATOM 194 CB THR A 12 -0.869 -11.255 6.034 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.263 -10.847 7.327 1.00 10.91 O ATOM 196 CG2 THR A 12 0.557 -10.733 5.749 1.00 9.63 C ATOM 0 H THR A 12 -3.309 -12.215 4.871 1.00 9.63 H new ATOM 0 HA THR A 12 -1.955 -9.675 5.317 1.00 9.85 H new ATOM 0 HB THR A 12 -0.837 -12.341 5.947 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.618 -11.179 7.986 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.248 -11.141 6.487 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.866 -11.044 4.751 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.565 -9.645 5.808 1.00 9.63 H new ATOM 204 N ILE A 13 -1.305 -10.096 2.734 1.00 10.42 N ATOM 205 CA ILE A 13 -1.214 -10.498 1.328 1.00 11.84 C ATOM 206 C ILE A 13 0.117 -9.971 0.795 1.00 10.55 C ATOM 207 O ILE A 13 0.546 -8.931 1.150 1.00 11.92 O ATOM 208 CB ILE A 13 -2.401 -10.098 0.420 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.650 -8.532 0.494 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.515 -11.002 0.839 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.921 -8.056 -0.271 1.00 16.46 C ATOM 0 H ILE A 13 -1.298 -9.093 2.922 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.266 -11.586 1.299 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.243 -10.242 -0.649 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.736 -8.237 1.540 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.780 -8.016 0.088 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.402 -10.786 0.243 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.219 -12.040 0.686 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.738 -10.840 1.894 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.021 -6.975 -0.173 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.830 -8.318 -1.325 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.802 -8.542 0.149 1.00 16.46 H new ATOM 223 N THR A 14 0.819 -10.706 -0.055 1.00 9.39 N ATOM 224 CA THR A 14 2.195 -10.500 -0.388 1.00 9.63 C ATOM 225 C THR A 14 2.247 -9.920 -1.780 1.00 11.20 C ATOM 226 O THR A 14 1.836 -10.475 -2.775 1.00 11.63 O ATOM 227 CB THR A 14 2.985 -11.803 -0.367 1.00 10.38 C ATOM 228 OG1 THR A 14 2.871 -12.501 0.810 1.00 16.30 O ATOM 229 CG2 THR A 14 4.492 -11.371 -0.566 1.00 11.66 C ATOM 0 H THR A 14 0.410 -11.499 -0.549 1.00 9.39 H new ATOM 0 HA THR A 14 2.640 -9.831 0.348 1.00 9.63 H new ATOM 0 HB THR A 14 2.605 -12.471 -1.140 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.400 -13.324 0.755 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.128 -12.256 -0.562 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.599 -10.851 -1.518 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.790 -10.707 0.245 1.00 11.66 H new ATOM 237 N LEU A 15 2.943 -8.781 -1.909 1.00 8.29 N ATOM 238 CA LEU A 15 3.038 -8.006 -3.074 1.00 9.03 C ATOM 239 C LEU A 15 4.482 -7.803 -3.399 1.00 8.59 C ATOM 240 O LEU A 15 5.329 -7.343 -2.575 1.00 7.79 O ATOM 241 CB LEU A 15 2.334 -6.633 -2.906 1.00 11.08 C ATOM 242 CG LEU A 15 0.835 -6.641 -2.940 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.408 -5.150 -3.085 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.109 -7.422 -4.061 1.00 15.27 C ATOM 0 H LEU A 15 3.474 -8.384 -1.133 1.00 8.29 H new ATOM 0 HA LEU A 15 2.537 -8.533 -3.886 1.00 9.03 H new ATOM 0 HB2 LEU A 15 2.651 -6.201 -1.957 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.690 -5.969 -3.694 1.00 11.08 H new ATOM 0 HG LEU A 15 0.542 -7.165 -2.030 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.680 -5.084 -3.116 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.782 -4.580 -2.234 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.823 -4.741 -4.006 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.969 -7.322 -3.935 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.400 -7.020 -5.032 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.384 -8.475 -4.008 1.00 15.27 H new ATOM 256 N GLU A 16 4.919 -8.171 -4.603 1.00 11.04 N ATOM 257 CA GLU A 16 6.265 -7.911 -5.000 1.00 11.50 C ATOM 258 C GLU A 16 6.386 -6.530 -5.609 1.00 10.13 C ATOM 259 O GLU A 16 5.505 -6.188 -6.418 1.00 9.83 O ATOM 260 CB GLU A 16 6.723 -8.962 -6.087 1.00 17.22 C ATOM 261 CG GLU A 16 7.057 -10.360 -5.519 1.00 23.33 C ATOM 262 CD GLU A 16 7.669 -11.182 -6.565 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.886 -10.993 -6.804 1.00 28.86 O ATOM 264 OE2 GLU A 16 6.997 -12.023 -7.177 1.00 28.90 O ATOM 0 H GLU A 16 4.349 -8.646 -5.303 1.00 11.04 H new ATOM 0 HA GLU A 16 6.892 -7.982 -4.111 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.934 -9.064 -6.832 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.601 -8.574 -6.604 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.736 -10.267 -4.672 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.151 -10.839 -5.149 1.00 23.33 H new ATOM 271 N VAL A 17 7.454 -5.775 -5.125 1.00 8.99 N ATOM 272 CA VAL A 17 7.671 -4.403 -5.413 1.00 8.85 C ATOM 273 C VAL A 17 9.162 -4.231 -5.593 1.00 8.04 C ATOM 274 O VAL A 17 9.938 -5.063 -5.141 1.00 8.99 O ATOM 275 CB VAL A 17 7.094 -3.441 -4.323 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.568 -3.652 -4.172 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.802 -3.675 -2.977 1.00 10.54 C ATOM 0 H VAL A 17 8.169 -6.171 -4.515 1.00 8.99 H new ATOM 0 HA VAL A 17 7.132 -4.126 -6.319 1.00 8.85 H new ATOM 0 HB VAL A 17 7.273 -2.412 -4.637 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.181 -2.976 -3.410 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.076 -3.447 -5.123 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.371 -4.682 -3.877 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.391 -2.999 -2.227 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.648 -4.706 -2.659 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.870 -3.486 -3.090 1.00 10.54 H new ATOM 287 N GLU A 18 9.576 -3.060 -6.161 1.00 7.29 N ATOM 288 CA GLU A 18 10.934 -2.614 -6.200 1.00 7.08 C ATOM 289 C GLU A 18 10.972 -1.352 -5.431 1.00 6.45 C ATOM 290 O GLU A 18 9.914 -0.714 -5.360 1.00 5.28 O ATOM 291 CB GLU A 18 11.588 -2.470 -7.567 1.00 10.28 C ATOM 292 CG GLU A 18 11.795 -3.840 -8.298 1.00 12.65 C ATOM 293 CD GLU A 18 12.691 -4.802 -7.583 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.871 -4.496 -7.350 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.212 -5.943 -7.244 1.00 18.17 O ATOM 0 H GLU A 18 8.929 -2.409 -6.606 1.00 7.29 H new ATOM 0 HA GLU A 18 11.547 -3.403 -5.765 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.973 -1.822 -8.191 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.554 -1.978 -7.451 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.822 -4.310 -8.442 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.207 -3.649 -9.289 1.00 12.65 H new ATOM 302 N PRO A 19 11.975 -0.838 -4.813 1.00 7.24 N ATOM 303 CA PRO A 19 11.903 0.329 -3.972 1.00 7.07 C ATOM 304 C PRO A 19 11.561 1.564 -4.670 1.00 6.65 C ATOM 305 O PRO A 19 11.156 2.523 -4.014 1.00 6.37 O ATOM 306 CB PRO A 19 13.204 0.411 -3.140 1.00 7.61 C ATOM 307 CG PRO A 19 14.176 -0.656 -3.738 1.00 8.16 C ATOM 308 CD PRO A 19 13.265 -1.537 -4.581 1.00 7.49 C ATOM 0 HA PRO A 19 11.056 0.214 -3.296 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.639 1.409 -3.197 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.006 0.209 -2.087 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.957 -0.193 -4.341 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.675 -1.228 -2.955 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.743 -1.766 -5.533 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.090 -2.487 -4.075 1.00 7.49 H new ATOM 316 N SER A 20 11.736 1.650 -5.998 1.00 6.80 N ATOM 317 CA SER A 20 11.496 2.863 -6.719 1.00 6.28 C ATOM 318 C SER A 20 10.057 2.830 -7.243 1.00 8.45 C ATOM 319 O SER A 20 9.745 3.742 -8.012 1.00 7.26 O ATOM 320 CB SER A 20 12.463 2.933 -7.967 1.00 8.57 C ATOM 321 OG SER A 20 13.782 2.892 -7.441 1.00 11.13 O ATOM 0 H SER A 20 12.047 0.872 -6.580 1.00 6.80 H new ATOM 0 HA SER A 20 11.662 3.720 -6.066 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.287 2.098 -8.645 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.298 3.847 -8.538 1.00 8.57 H new ATOM 0 HG SER A 20 14.429 2.931 -8.176 1.00 11.13 H new ATOM 327 N ASP A 21 9.255 1.810 -6.951 1.00 7.50 N ATOM 328 CA ASP A 21 7.875 1.869 -7.411 1.00 7.70 C ATOM 329 C ASP A 21 7.026 2.764 -6.546 1.00 7.08 C ATOM 330 O ASP A 21 7.050 2.842 -5.332 1.00 8.11 O ATOM 331 CB ASP A 21 7.181 0.498 -7.373 1.00 11.00 C ATOM 332 CG ASP A 21 7.836 -0.487 -8.242 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.198 -0.071 -9.373 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.985 -1.640 -7.844 1.00 18.03 O ATOM 0 H ASP A 21 9.518 0.976 -6.427 1.00 7.50 H new ATOM 0 HA ASP A 21 7.950 2.246 -8.431 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.174 0.126 -6.348 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.141 0.612 -7.678 1.00 11.00 H new ATOM 339 N THR A 22 6.130 3.474 -7.264 1.00 5.37 N ATOM 340 CA THR A 22 5.246 4.496 -6.703 1.00 6.01 C ATOM 341 C THR A 22 4.093 3.974 -5.816 1.00 8.01 C ATOM 342 O THR A 22 3.611 2.857 -5.979 1.00 8.11 O ATOM 343 CB THR A 22 4.772 5.534 -7.758 1.00 8.92 C ATOM 344 OG1 THR A 22 4.049 4.933 -8.791 1.00 10.22 O ATOM 345 CG2 THR A 22 5.966 6.301 -8.448 1.00 9.65 C ATOM 0 H THR A 22 6.005 3.344 -8.268 1.00 5.37 H new ATOM 0 HA THR A 22 5.889 5.026 -6.000 1.00 6.01 H new ATOM 0 HB THR A 22 4.153 6.230 -7.192 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.767 5.617 -9.434 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.571 7.011 -9.174 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.540 6.837 -7.692 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.613 5.586 -8.955 1.00 9.65 H new ATOM 353 N ILE A 23 3.549 4.745 -4.818 1.00 8.32 N ATOM 354 CA ILE A 23 2.533 4.233 -3.950 1.00 9.92 C ATOM 355 C ILE A 23 1.269 3.798 -4.714 1.00 10.01 C ATOM 356 O ILE A 23 0.669 2.808 -4.462 1.00 8.71 O ATOM 357 CB ILE A 23 2.238 5.218 -2.799 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.587 5.566 -2.094 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.274 4.490 -1.841 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.348 4.426 -1.376 1.00 12.30 C ATOM 0 H ILE A 23 3.821 5.710 -4.628 1.00 8.32 H new ATOM 0 HA ILE A 23 2.919 3.321 -3.494 1.00 9.92 H new ATOM 0 HB ILE A 23 1.787 6.149 -3.142 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.254 5.993 -2.843 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.388 6.348 -1.361 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.030 5.144 -1.004 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.360 4.228 -2.374 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.749 3.583 -1.467 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.264 4.821 -0.936 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.719 4.007 -0.591 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.598 3.646 -2.095 1.00 12.30 H new ATOM 372 N GLU A 24 0.897 4.456 -5.829 1.00 9.54 N ATOM 373 CA GLU A 24 -0.202 4.179 -6.684 1.00 11.81 C ATOM 374 C GLU A 24 -0.133 2.845 -7.404 1.00 11.14 C ATOM 375 O GLU A 24 -1.094 2.089 -7.479 1.00 10.62 O ATOM 376 CB GLU A 24 -0.274 5.271 -7.788 1.00 19.24 C ATOM 377 CG GLU A 24 -1.456 5.121 -8.829 1.00 27.76 C ATOM 378 CD GLU A 24 -1.608 6.185 -9.932 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.492 7.395 -9.639 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.901 5.711 -11.036 1.00 36.51 O ATOM 0 H GLU A 24 1.427 5.263 -6.157 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.072 4.158 -6.028 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.362 6.244 -7.305 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.669 5.271 -8.335 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.346 4.152 -9.317 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.390 5.091 -8.267 1.00 27.76 H new ATOM 387 N ASN A 25 1.194 2.582 -7.798 1.00 9.43 N ATOM 388 CA ASN A 25 1.649 1.297 -8.298 1.00 10.96 C ATOM 389 C ASN A 25 1.437 0.180 -7.309 1.00 9.68 C ATOM 390 O ASN A 25 0.809 -0.815 -7.628 1.00 9.33 O ATOM 391 CB ASN A 25 3.149 1.418 -8.606 1.00 16.78 C ATOM 392 CG ASN A 25 3.566 0.517 -9.752 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.960 -0.636 -9.524 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.372 0.977 -10.995 1.00 24.70 N ATOM 0 H ASN A 25 1.932 3.285 -7.758 1.00 9.43 H new ATOM 0 HA ASN A 25 1.069 1.050 -9.187 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.386 2.453 -8.853 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.724 1.163 -7.716 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.549 0.371 -11.796 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.047 1.933 -11.140 1.00 24.70 H new ATOM 401 N VAL A 26 1.700 0.430 -6.018 1.00 6.52 N ATOM 402 CA VAL A 26 1.229 -0.559 -4.968 1.00 5.53 C ATOM 403 C VAL A 26 -0.253 -0.781 -4.828 1.00 4.42 C ATOM 404 O VAL A 26 -0.768 -1.918 -4.791 1.00 3.40 O ATOM 405 CB VAL A 26 1.840 -0.245 -3.583 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.788 -1.562 -2.732 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.293 0.243 -3.762 1.00 8.12 C ATOM 0 H VAL A 26 2.201 1.245 -5.665 1.00 6.52 H new ATOM 0 HA VAL A 26 1.602 -1.504 -5.364 1.00 5.53 H new ATOM 0 HB VAL A 26 1.284 0.542 -3.074 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.213 -1.375 -1.746 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.753 -1.886 -2.626 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.362 -2.342 -3.233 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.725 0.465 -2.786 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.880 -0.534 -4.251 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.301 1.144 -4.376 1.00 8.12 H new ATOM 417 N LYS A 27 -1.103 0.231 -4.805 1.00 2.64 N ATOM 418 CA LYS A 27 -2.577 0.225 -4.874 1.00 4.14 C ATOM 419 C LYS A 27 -3.179 -0.513 -6.120 1.00 5.58 C ATOM 420 O LYS A 27 -4.210 -1.196 -5.986 1.00 4.11 O ATOM 421 CB LYS A 27 -3.094 1.663 -4.840 1.00 3.97 C ATOM 422 CG LYS A 27 -2.593 2.487 -3.618 1.00 7.45 C ATOM 423 CD LYS A 27 -3.248 3.831 -3.520 1.00 9.02 C ATOM 424 CE LYS A 27 -2.690 4.579 -2.361 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.561 5.749 -2.006 1.00 15.47 N ATOM 0 H LYS A 27 -0.752 1.186 -4.730 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.909 -0.343 -4.005 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.790 2.169 -5.756 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.184 1.646 -4.832 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.785 1.926 -2.703 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.513 2.618 -3.691 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.086 4.393 -4.440 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.325 3.713 -3.404 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.602 3.913 -1.502 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.685 4.928 -2.599 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.133 6.274 -1.217 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.652 6.377 -2.830 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.502 5.408 -1.725 1.00 15.47 H new ATOM 439 N ALA A 28 -2.522 -0.472 -7.194 1.00 6.61 N ATOM 440 CA ALA A 28 -2.916 -1.143 -8.396 1.00 7.74 C ATOM 441 C ALA A 28 -2.679 -2.632 -8.272 1.00 9.17 C ATOM 442 O ALA A 28 -3.446 -3.462 -8.672 1.00 11.45 O ATOM 443 CB ALA A 28 -2.068 -0.600 -9.538 1.00 7.68 C ATOM 0 H ALA A 28 -1.650 0.048 -7.289 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.977 -0.972 -8.580 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.349 -1.096 -10.467 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.233 0.473 -9.635 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.015 -0.788 -9.330 1.00 7.68 H new ATOM 449 N LYS A 29 -1.574 -3.067 -7.516 1.00 8.96 N ATOM 450 CA LYS A 29 -1.318 -4.471 -7.172 1.00 7.90 C ATOM 451 C LYS A 29 -2.321 -5.126 -6.206 1.00 6.92 C ATOM 452 O LYS A 29 -2.661 -6.287 -6.386 1.00 6.87 O ATOM 453 CB LYS A 29 0.136 -4.641 -6.696 1.00 10.28 C ATOM 454 CG LYS A 29 1.238 -4.116 -7.674 1.00 14.94 C ATOM 455 CD LYS A 29 2.606 -4.365 -7.195 1.00 19.69 C ATOM 456 CE LYS A 29 3.658 -3.459 -7.804 1.00 22.63 C ATOM 457 NZ LYS A 29 3.680 -3.431 -9.277 1.00 24.98 N ATOM 0 H LYS A 29 -0.868 -2.427 -7.152 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.474 -5.025 -8.098 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.249 -4.126 -5.742 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.316 -5.700 -6.510 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.108 -4.592 -8.646 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.102 -3.045 -7.823 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.626 -4.247 -6.112 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.869 -5.401 -7.408 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.497 -2.445 -7.439 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.638 -3.775 -7.447 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.504 -3.964 -9.622 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.809 -3.863 -9.645 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.743 -2.446 -9.605 1.00 24.98 H new ATOM 471 N ILE A 30 -2.792 -4.308 -5.207 1.00 4.57 N ATOM 472 CA ILE A 30 -3.944 -4.589 -4.319 1.00 5.58 C ATOM 473 C ILE A 30 -5.185 -4.705 -5.178 1.00 7.26 C ATOM 474 O ILE A 30 -6.010 -5.552 -4.956 1.00 9.46 O ATOM 475 CB ILE A 30 -4.305 -3.543 -3.226 1.00 5.36 C ATOM 476 CG1 ILE A 30 -3.070 -3.345 -2.266 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.616 -3.897 -2.464 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.773 -4.542 -1.367 1.00 2.00 C ATOM 0 H ILE A 30 -2.356 -3.409 -5.002 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.630 -5.488 -3.788 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.518 -2.591 -3.712 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.187 -3.131 -2.869 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.248 -2.471 -1.640 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.818 -3.133 -1.714 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.446 -3.942 -3.169 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.503 -4.864 -1.975 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.909 -4.321 -0.740 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.637 -4.746 -0.735 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.560 -5.416 -1.983 1.00 2.00 H new ATOM 490 N GLN A 31 -5.453 -3.806 -6.167 1.00 7.06 N ATOM 491 CA GLN A 31 -6.575 -3.917 -7.022 1.00 8.67 C ATOM 492 C GLN A 31 -6.604 -5.149 -7.904 1.00 10.90 C ATOM 493 O GLN A 31 -7.635 -5.783 -8.116 1.00 9.63 O ATOM 494 CB GLN A 31 -6.727 -2.652 -7.822 1.00 9.12 C ATOM 495 CG GLN A 31 -8.081 -2.649 -8.627 1.00 10.76 C ATOM 496 CD GLN A 31 -8.316 -1.382 -9.423 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.327 -0.725 -9.800 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.569 -1.076 -9.787 1.00 14.76 N ATOM 0 H GLN A 31 -4.867 -2.994 -6.360 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.437 -4.053 -6.369 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.695 -1.790 -7.155 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.890 -2.552 -8.513 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.091 -3.501 -9.307 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.908 -2.788 -7.930 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.349 -1.642 -9.454 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.742 -0.277 -10.397 1.00 14.76 H new ATOM 507 N ASP A 32 -5.461 -5.556 -8.456 1.00 10.93 N ATOM 508 CA ASP A 32 -5.292 -6.801 -9.179 1.00 14.01 C ATOM 509 C ASP A 32 -5.621 -7.965 -8.294 1.00 14.04 C ATOM 510 O ASP A 32 -6.451 -8.780 -8.537 1.00 13.39 O ATOM 511 CB ASP A 32 -3.853 -6.808 -9.612 1.00 18.01 C ATOM 512 CG ASP A 32 -3.356 -7.891 -10.524 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.043 -8.202 -11.509 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.219 -8.459 -10.359 1.00 26.29 O ATOM 0 H ASP A 32 -4.604 -5.005 -8.406 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.958 -6.884 -10.038 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.656 -5.854 -10.101 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.242 -6.836 -8.710 1.00 18.01 H new ATOM 519 N LYS A 33 -5.042 -7.942 -7.100 1.00 14.22 N ATOM 520 CA LYS A 33 -5.305 -8.965 -6.050 1.00 14.00 C ATOM 521 C LYS A 33 -6.733 -9.077 -5.549 1.00 12.37 C ATOM 522 O LYS A 33 -7.437 -10.078 -5.624 1.00 12.17 O ATOM 523 CB LYS A 33 -4.258 -8.865 -4.942 1.00 18.62 C ATOM 524 CG LYS A 33 -4.245 -10.237 -4.115 1.00 24.00 C ATOM 525 CD LYS A 33 -2.941 -10.602 -3.367 1.00 27.61 C ATOM 526 CE LYS A 33 -1.671 -11.008 -4.135 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.034 -12.164 -5.000 1.00 30.06 N ATOM 0 H LYS A 33 -4.376 -7.223 -6.816 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.193 -9.928 -6.548 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.274 -8.673 -5.370 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.487 -8.029 -4.281 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.053 -10.198 -3.385 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.477 -11.049 -4.805 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.678 -9.745 -2.747 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.181 -11.423 -2.691 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.303 -10.177 -4.737 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.873 -11.280 -3.444 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.176 -12.545 -5.448 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.481 -12.904 -4.421 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.699 -11.852 -5.736 1.00 30.06 H new ATOM 541 N GLU A 34 -7.210 -7.969 -4.966 1.00 10.11 N ATOM 542 CA GLU A 34 -8.405 -7.912 -4.102 1.00 10.07 C ATOM 543 C GLU A 34 -9.520 -7.123 -4.724 1.00 9.32 C ATOM 544 O GLU A 34 -10.635 -7.177 -4.204 1.00 11.61 O ATOM 545 CB GLU A 34 -8.002 -7.294 -2.750 1.00 14.77 C ATOM 546 CG GLU A 34 -7.319 -8.230 -1.697 1.00 18.75 C ATOM 547 CD GLU A 34 -8.146 -9.407 -1.396 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.007 -9.405 -0.478 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.805 -10.438 -2.009 1.00 25.19 O ATOM 0 H GLU A 34 -6.765 -7.059 -5.084 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.780 -8.926 -3.963 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.325 -6.463 -2.949 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.898 -6.873 -2.293 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.349 -8.554 -2.074 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.134 -7.671 -0.780 1.00 18.75 H new ATOM 556 N GLY A 35 -9.388 -6.454 -5.858 1.00 7.22 N ATOM 557 CA GLY A 35 -10.477 -5.811 -6.576 1.00 6.29 C ATOM 558 C GLY A 35 -10.925 -4.439 -6.132 1.00 6.93 C ATOM 559 O GLY A 35 -12.049 -4.008 -6.391 1.00 7.41 O ATOM 0 H GLY A 35 -8.486 -6.340 -6.321 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.187 -5.741 -7.624 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.342 -6.473 -6.528 1.00 6.29 H new ATOM 563 N ILE A 36 -10.135 -3.749 -5.302 1.00 5.86 N ATOM 564 CA ILE A 36 -10.371 -2.545 -4.562 1.00 6.07 C ATOM 565 C ILE A 36 -9.798 -1.323 -5.374 1.00 6.36 C ATOM 566 O ILE A 36 -8.559 -1.296 -5.515 1.00 6.18 O ATOM 567 CB ILE A 36 -9.627 -2.557 -3.162 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.002 -3.879 -2.486 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.015 -1.248 -2.362 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.209 -4.073 -1.133 1.00 9.49 C ATOM 0 H ILE A 36 -9.189 -4.086 -5.123 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.446 -2.467 -4.401 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.540 -2.525 -3.234 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.074 -3.899 -2.289 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.787 -4.709 -3.159 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.508 -1.247 -1.397 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.712 -0.370 -2.932 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.093 -1.224 -2.205 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.496 -5.020 -0.676 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.138 -4.078 -1.336 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.445 -3.255 -0.452 1.00 9.49 H new ATOM 582 N PRO A 37 -10.513 -0.289 -5.816 1.00 8.65 N ATOM 583 CA PRO A 37 -9.969 0.915 -6.431 1.00 9.18 C ATOM 584 C PRO A 37 -8.866 1.589 -5.626 1.00 9.85 C ATOM 585 O PRO A 37 -9.103 1.694 -4.418 1.00 8.51 O ATOM 586 CB PRO A 37 -11.208 1.794 -6.543 1.00 11.42 C ATOM 587 CG PRO A 37 -12.277 0.770 -6.916 1.00 9.27 C ATOM 588 CD PRO A 37 -11.967 -0.312 -5.905 1.00 8.33 C ATOM 0 HA PRO A 37 -9.470 0.706 -7.377 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.436 2.302 -5.606 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.096 2.565 -7.305 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.288 1.164 -6.808 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.179 0.421 -7.944 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.431 -0.105 -4.941 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.334 -1.285 -6.233 1.00 8.33 H new ATOM 596 N PRO A 38 -7.765 2.035 -6.217 1.00 8.71 N ATOM 597 CA PRO A 38 -6.772 2.899 -5.576 1.00 9.08 C ATOM 598 C PRO A 38 -7.367 4.023 -4.804 1.00 9.28 C ATOM 599 O PRO A 38 -6.886 4.322 -3.762 1.00 6.50 O ATOM 600 CB PRO A 38 -5.853 3.287 -6.725 1.00 10.31 C ATOM 601 CG PRO A 38 -5.816 2.054 -7.677 1.00 10.81 C ATOM 602 CD PRO A 38 -7.200 1.452 -7.484 1.00 12.00 C ATOM 0 HA PRO A 38 -6.213 2.404 -4.782 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.227 4.170 -7.243 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.855 3.530 -6.362 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.640 2.345 -8.713 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.027 1.354 -7.404 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.842 1.683 -8.334 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.141 0.366 -7.415 1.00 12.00 H new ATOM 610 N ASP A 39 -8.451 4.669 -5.314 1.00 11.20 N ATOM 611 CA ASP A 39 -9.074 5.778 -4.669 1.00 14.96 C ATOM 612 C ASP A 39 -9.798 5.374 -3.359 1.00 13.99 C ATOM 613 O ASP A 39 -10.196 6.203 -2.510 1.00 13.75 O ATOM 614 CB ASP A 39 -10.071 6.594 -5.523 1.00 24.16 C ATOM 615 CG ASP A 39 -9.433 7.371 -6.620 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.552 8.247 -6.336 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.853 7.109 -7.803 1.00 35.55 O ATOM 0 H ASP A 39 -8.894 4.405 -6.194 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.219 6.424 -4.467 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.806 5.914 -5.953 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.613 7.281 -4.873 1.00 24.16 H new ATOM 622 N GLN A 40 -9.996 4.079 -3.145 1.00 11.60 N ATOM 623 CA GLN A 40 -10.615 3.460 -1.984 1.00 10.76 C ATOM 624 C GLN A 40 -9.551 2.880 -1.016 1.00 8.01 C ATOM 625 O GLN A 40 -9.755 2.199 0.004 1.00 8.96 O ATOM 626 CB GLN A 40 -11.744 2.399 -2.204 1.00 11.14 C ATOM 627 CG GLN A 40 -13.081 3.008 -2.647 1.00 14.85 C ATOM 628 CD GLN A 40 -14.179 1.981 -2.971 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.453 1.107 -2.137 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.668 2.020 -4.240 1.00 18.16 N ATOM 0 H GLN A 40 -9.705 3.383 -3.832 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.145 4.311 -1.556 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.415 1.681 -2.955 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.896 1.845 -1.278 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.442 3.669 -1.859 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.909 3.626 -3.528 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.394 2.775 -4.869 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.308 1.294 -4.562 1.00 18.16 H new ATOM 639 N GLN A 41 -8.244 3.247 -1.217 1.00 6.52 N ATOM 640 CA GLN A 41 -7.138 2.733 -0.398 1.00 3.87 C ATOM 641 C GLN A 41 -6.312 3.868 0.213 1.00 4.79 C ATOM 642 O GLN A 41 -5.759 4.706 -0.449 1.00 6.34 O ATOM 643 CB GLN A 41 -6.190 1.904 -1.384 1.00 4.20 C ATOM 644 CG GLN A 41 -6.894 0.667 -1.975 1.00 3.20 C ATOM 645 CD GLN A 41 -5.794 -0.126 -2.721 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.712 -0.323 -2.197 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.147 -0.567 -3.920 1.00 7.13 N ATOM 0 H GLN A 41 -7.950 3.899 -1.945 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.537 2.130 0.418 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.859 2.552 -2.195 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.297 1.587 -0.844 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.348 0.062 -1.190 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.694 0.960 -2.655 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.075 -0.358 -4.287 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.490 -1.116 -4.475 1.00 7.13 H new ATOM 656 N ARG A 42 -6.063 3.751 1.514 1.00 5.73 N ATOM 657 CA ARG A 42 -4.905 4.275 2.190 1.00 6.97 C ATOM 658 C ARG A 42 -3.948 3.151 2.395 1.00 7.15 C ATOM 659 O ARG A 42 -4.369 2.136 2.956 1.00 7.33 O ATOM 660 CB ARG A 42 -5.287 4.909 3.522 1.00 13.23 C ATOM 661 CG ARG A 42 -6.521 5.837 3.397 1.00 21.27 C ATOM 662 CD ARG A 42 -6.882 6.577 4.718 1.00 26.14 C ATOM 663 NE ARG A 42 -8.014 7.583 4.539 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.811 8.886 4.327 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.604 9.333 3.933 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.883 9.698 4.326 1.00 36.39 N ATOM 0 H ARG A 42 -6.699 3.264 2.145 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.445 5.057 1.586 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.497 4.124 4.249 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.442 5.481 3.906 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.332 6.575 2.617 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.379 5.246 3.076 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.168 5.845 5.473 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.999 7.093 5.093 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.975 7.244 4.583 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -5.837 8.675 3.794 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.457 10.330 3.773 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.814 9.313 4.484 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.765 10.699 4.167 1.00 36.39 H new ATOM 680 N LEU A 43 -2.646 3.368 2.147 1.00 4.65 N ATOM 681 CA LEU A 43 -1.622 2.419 2.485 1.00 3.51 C ATOM 682 C LEU A 43 -0.831 3.096 3.600 1.00 5.56 C ATOM 683 O LEU A 43 -0.344 4.219 3.519 1.00 4.19 O ATOM 684 CB LEU A 43 -0.698 1.959 1.308 1.00 3.74 C ATOM 685 CG LEU A 43 -1.541 1.070 0.357 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.604 0.722 -0.928 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.941 -0.237 1.025 1.00 6.41 C ATOM 0 H LEU A 43 -2.293 4.216 1.704 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.082 1.477 2.783 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.304 2.823 0.773 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.158 1.403 1.690 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.451 1.601 0.078 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.161 0.096 -1.625 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.311 1.646 -1.425 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.288 0.191 -0.595 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.531 -0.835 0.330 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.045 -0.789 1.310 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.534 -0.024 1.914 1.00 6.41 H new ATOM 699 N ILE A 44 -0.703 2.410 4.730 1.00 4.58 N ATOM 700 CA ILE A 44 -0.195 2.953 6.025 1.00 5.55 C ATOM 701 C ILE A 44 1.015 2.173 6.384 1.00 5.46 C ATOM 702 O ILE A 44 1.208 0.979 6.242 1.00 6.04 O ATOM 703 CB ILE A 44 -1.283 2.675 7.122 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.678 3.153 6.756 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.886 3.274 8.482 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.851 4.620 6.425 1.00 13.90 C ATOM 0 H ILE A 44 -0.954 1.423 4.792 1.00 4.58 H new ATOM 0 HA ILE A 44 0.023 4.019 5.952 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.324 1.588 7.191 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.018 2.573 5.898 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.343 2.915 7.586 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.664 3.061 9.215 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.055 2.834 8.813 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.767 4.353 8.383 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.895 4.818 6.183 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.556 5.224 7.283 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.226 4.876 5.570 1.00 13.90 H new ATOM 718 N PHE A 45 2.037 2.862 6.826 1.00 6.75 N ATOM 719 CA PHE A 45 3.280 2.326 7.248 1.00 4.70 C ATOM 720 C PHE A 45 3.930 3.197 8.228 1.00 6.34 C ATOM 721 O PHE A 45 4.239 4.303 7.975 1.00 5.45 O ATOM 722 CB PHE A 45 4.190 2.028 5.985 1.00 5.51 C ATOM 723 CG PHE A 45 5.563 1.697 6.322 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.767 0.488 6.951 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.620 2.555 6.237 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.975 0.126 7.474 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.896 2.234 6.636 1.00 6.64 C ATOM 728 CZ PHE A 45 8.076 0.943 7.183 1.00 6.84 C ATOM 0 H PHE A 45 2.007 3.879 6.900 1.00 6.75 H new ATOM 0 HA PHE A 45 3.109 1.379 7.760 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.755 1.204 5.420 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.185 2.900 5.331 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.939 -0.200 7.033 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.445 3.541 5.834 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.078 -0.756 8.088 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.716 2.930 6.537 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.075 0.582 7.379 1.00 6.84 H new ATOM 738 N ALA A 46 4.201 2.601 9.407 1.00 6.53 N ATOM 739 CA ALA A 46 4.682 3.172 10.614 1.00 7.15 C ATOM 740 C ALA A 46 3.721 4.102 11.323 1.00 9.00 C ATOM 741 O ALA A 46 4.060 5.002 12.080 1.00 11.15 O ATOM 742 CB ALA A 46 5.996 3.933 10.337 1.00 8.99 C ATOM 0 H ALA A 46 4.062 1.596 9.514 1.00 6.53 H new ATOM 0 HA ALA A 46 4.829 2.327 11.287 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.365 4.371 11.264 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.740 3.242 9.941 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.812 4.724 9.610 1.00 8.99 H new ATOM 748 N GLY A 47 2.438 3.927 11.118 1.00 9.35 N ATOM 749 CA GLY A 47 1.380 4.717 11.675 1.00 11.68 C ATOM 750 C GLY A 47 1.117 5.956 10.808 1.00 11.14 C ATOM 751 O GLY A 47 0.178 6.762 11.031 1.00 13.93 O ATOM 0 H GLY A 47 2.089 3.180 10.518 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.472 4.119 11.749 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.642 5.024 12.687 1.00 11.68 H new ATOM 755 N LYS A 48 1.984 6.155 9.762 1.00 10.47 N ATOM 756 CA LYS A 48 1.826 7.211 8.811 1.00 8.82 C ATOM 757 C LYS A 48 1.273 6.703 7.500 1.00 7.68 C ATOM 758 O LYS A 48 1.668 5.670 7.012 1.00 6.47 O ATOM 759 CB LYS A 48 3.208 7.942 8.709 1.00 9.74 C ATOM 760 CG LYS A 48 3.283 9.041 7.635 1.00 14.14 C ATOM 761 CD LYS A 48 4.682 9.760 7.660 1.00 16.32 C ATOM 762 CE LYS A 48 4.811 10.968 6.704 1.00 20.04 C ATOM 763 NZ LYS A 48 6.004 11.754 6.992 1.00 23.92 N ATOM 0 H LYS A 48 2.799 5.566 9.591 1.00 10.47 H new ATOM 0 HA LYS A 48 1.078 7.937 9.131 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.441 8.385 9.678 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.980 7.201 8.504 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.112 8.605 6.651 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.492 9.772 7.802 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.883 10.097 8.677 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.453 9.032 7.408 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.847 10.615 5.673 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.928 11.600 6.794 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.059 12.556 6.332 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.957 12.111 7.968 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.848 11.157 6.882 1.00 23.92 H new ATOM 777 N GLN A 49 0.324 7.416 6.863 1.00 8.89 N ATOM 778 CA GLN A 49 -0.074 7.184 5.526 1.00 7.18 C ATOM 779 C GLN A 49 1.010 7.483 4.460 1.00 8.23 C ATOM 780 O GLN A 49 1.724 8.458 4.597 1.00 9.70 O ATOM 781 CB GLN A 49 -1.246 8.197 5.174 1.00 11.67 C ATOM 782 CG GLN A 49 -2.023 7.823 3.846 1.00 15.82 C ATOM 783 CD GLN A 49 -3.301 8.697 3.655 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.355 8.169 3.315 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.083 10.007 3.863 1.00 20.67 N ATOM 0 H GLN A 49 -0.181 8.183 7.307 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.333 6.126 5.488 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.952 8.226 6.004 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.831 9.200 5.073 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.362 7.954 2.989 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.304 6.770 3.874 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.158 10.332 4.145 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.842 10.676 3.738 1.00 20.67 H new ATOM 794 N LEU A 50 1.051 6.679 3.386 1.00 6.51 N ATOM 795 CA LEU A 50 1.950 6.820 2.257 1.00 7.41 C ATOM 796 C LEU A 50 1.297 7.466 0.993 1.00 8.27 C ATOM 797 O LEU A 50 0.148 7.178 0.684 1.00 8.34 O ATOM 798 CB LEU A 50 2.453 5.416 1.785 1.00 7.13 C ATOM 799 CG LEU A 50 3.215 4.519 2.941 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.965 3.322 2.316 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.110 5.345 3.807 1.00 9.11 C ATOM 0 H LEU A 50 0.425 5.880 3.288 1.00 6.51 H new ATOM 0 HA LEU A 50 2.746 7.466 2.626 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.600 4.849 1.411 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.136 5.555 0.947 1.00 7.13 H new ATOM 0 HG LEU A 50 2.440 4.119 3.595 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.457 2.750 3.103 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.256 2.682 1.791 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.712 3.688 1.612 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.587 4.707 4.551 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.875 5.819 3.192 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.522 6.112 4.311 1.00 9.11 H new ATOM 813 N GLU A 51 1.971 8.444 0.412 1.00 9.43 N ATOM 814 CA GLU A 51 1.473 9.376 -0.583 1.00 11.90 C ATOM 815 C GLU A 51 1.657 8.837 -1.989 1.00 11.49 C ATOM 816 O GLU A 51 2.749 8.636 -2.448 1.00 9.88 O ATOM 817 CB GLU A 51 1.924 10.830 -0.401 1.00 16.56 C ATOM 818 CG GLU A 51 1.750 11.342 1.012 1.00 26.06 C ATOM 819 CD GLU A 51 1.749 12.855 1.059 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.818 13.498 1.139 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.624 13.441 0.868 1.00 33.44 O ATOM 0 H GLU A 51 2.950 8.619 0.640 1.00 9.43 H new ATOM 0 HA GLU A 51 0.399 9.445 -0.409 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.973 10.915 -0.683 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.358 11.466 -1.082 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.815 10.964 1.424 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.554 10.958 1.640 1.00 26.06 H new ATOM 828 N ASP A 52 0.584 8.828 -2.772 1.00 12.71 N ATOM 829 CA ASP A 52 0.330 8.317 -4.139 1.00 16.56 C ATOM 830 C ASP A 52 1.396 8.522 -5.157 1.00 15.83 C ATOM 831 O ASP A 52 1.719 7.553 -5.890 1.00 17.21 O ATOM 832 CB ASP A 52 -0.993 8.897 -4.556 1.00 21.05 C ATOM 833 CG ASP A 52 -2.045 8.586 -3.580 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.707 7.519 -3.691 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.280 9.372 -2.635 1.00 25.82 O ATOM 0 H ASP A 52 -0.274 9.246 -2.412 1.00 12.71 H new ATOM 0 HA ASP A 52 0.320 7.228 -4.091 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.901 9.978 -4.662 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.273 8.503 -5.533 1.00 21.05 H new ATOM 840 N GLY A 53 1.977 9.697 -5.274 1.00 15.00 N ATOM 841 CA GLY A 53 2.973 10.014 -6.259 1.00 11.77 C ATOM 842 C GLY A 53 4.381 9.792 -5.769 1.00 11.10 C ATOM 843 O GLY A 53 5.305 9.933 -6.587 1.00 11.25 O ATOM 0 H GLY A 53 1.756 10.482 -4.661 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.804 9.405 -7.147 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.859 11.055 -6.560 1.00 11.77 H new ATOM 847 N ARG A 54 4.668 9.379 -4.527 1.00 8.53 N ATOM 848 CA ARG A 54 5.972 9.109 -4.060 1.00 9.05 C ATOM 849 C ARG A 54 6.347 7.655 -4.317 1.00 8.96 C ATOM 850 O ARG A 54 5.482 6.817 -4.610 1.00 11.60 O ATOM 851 CB ARG A 54 6.109 9.358 -2.532 1.00 7.97 C ATOM 852 CG ARG A 54 5.942 10.792 -2.077 1.00 9.62 C ATOM 853 CD ARG A 54 7.145 11.682 -2.449 1.00 12.20 C ATOM 854 NE ARG A 54 6.590 13.081 -2.342 1.00 18.23 N ATOM 855 CZ ARG A 54 7.199 14.161 -2.766 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.422 14.158 -3.349 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.604 15.355 -2.783 1.00 23.38 N ATOM 0 H ARG A 54 3.950 9.228 -3.819 1.00 8.53 H new ATOM 0 HA ARG A 54 6.633 9.785 -4.602 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.370 8.745 -2.016 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.091 9.008 -2.213 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.038 11.207 -2.523 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.802 10.811 -0.996 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.983 11.529 -1.770 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.507 11.469 -3.455 1.00 12.20 H new ATOM 0 HE ARG A 54 5.674 13.194 -1.908 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.923 13.279 -3.479 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.842 15.035 -3.658 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.642 15.450 -2.458 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.111 16.173 -3.121 1.00 23.38 H new ATOM 871 N THR A 55 7.639 7.330 -4.202 1.00 9.05 N ATOM 872 CA THR A 55 8.137 5.894 -4.261 1.00 9.03 C ATOM 873 C THR A 55 8.309 5.400 -2.799 1.00 8.15 C ATOM 874 O THR A 55 8.292 6.152 -1.838 1.00 5.91 O ATOM 875 CB THR A 55 9.466 5.797 -5.015 1.00 11.15 C ATOM 876 OG1 THR A 55 10.518 6.559 -4.482 1.00 11.95 O ATOM 877 CG2 THR A 55 9.359 6.297 -6.409 1.00 11.71 C ATOM 0 H THR A 55 8.380 8.018 -4.067 1.00 9.05 H new ATOM 0 HA THR A 55 7.419 5.274 -4.798 1.00 9.03 H new ATOM 0 HB THR A 55 9.682 4.731 -4.940 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.155 7.242 -3.880 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.327 6.208 -6.903 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.619 5.708 -6.951 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.052 7.343 -6.398 1.00 11.71 H new ATOM 885 N LEU A 56 8.447 4.021 -2.643 1.00 6.91 N ATOM 886 CA LEU A 56 8.648 3.288 -1.401 1.00 8.29 C ATOM 887 C LEU A 56 9.960 3.773 -0.808 1.00 8.05 C ATOM 888 O LEU A 56 10.059 3.944 0.433 1.00 10.17 O ATOM 889 CB LEU A 56 8.678 1.763 -1.651 1.00 6.60 C ATOM 890 CG LEU A 56 7.281 1.199 -1.986 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.456 -0.177 -2.615 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.444 0.978 -0.778 1.00 8.64 C ATOM 0 H LEU A 56 8.413 3.396 -3.448 1.00 6.91 H new ATOM 0 HA LEU A 56 7.824 3.469 -0.711 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.362 1.544 -2.471 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.069 1.259 -0.767 1.00 6.60 H new ATOM 0 HG LEU A 56 6.798 1.926 -2.639 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.478 -0.593 -2.859 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.050 -0.088 -3.525 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.965 -0.836 -1.912 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.473 0.581 -1.075 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.940 0.267 -0.117 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.304 1.924 -0.254 1.00 8.64 H new ATOM 904 N SER A 57 10.937 4.118 -1.601 1.00 8.92 N ATOM 905 CA SER A 57 12.258 4.609 -1.278 1.00 9.00 C ATOM 906 C SER A 57 12.214 5.861 -0.481 1.00 9.44 C ATOM 907 O SER A 57 13.000 6.147 0.396 1.00 10.91 O ATOM 908 CB SER A 57 13.166 4.835 -2.549 1.00 10.32 C ATOM 909 OG SER A 57 14.510 5.173 -2.211 1.00 13.59 O ATOM 0 H SER A 57 10.815 4.055 -2.612 1.00 8.92 H new ATOM 0 HA SER A 57 12.708 3.819 -0.677 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.165 3.930 -3.157 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.738 5.630 -3.160 1.00 10.32 H new ATOM 0 HG SER A 57 15.031 5.301 -3.031 1.00 13.59 H new ATOM 915 N ASP A 58 11.349 6.820 -0.736 1.00 9.11 N ATOM 916 CA ASP A 58 11.109 8.048 0.092 1.00 7.91 C ATOM 917 C ASP A 58 10.635 7.859 1.552 1.00 9.12 C ATOM 918 O ASP A 58 10.631 8.815 2.358 1.00 8.61 O ATOM 919 CB ASP A 58 10.019 8.884 -0.614 1.00 8.41 C ATOM 920 CG ASP A 58 10.278 9.112 -2.036 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.351 9.768 -2.393 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.606 8.683 -2.975 1.00 11.70 O ATOM 0 H ASP A 58 10.750 6.790 -1.561 1.00 9.11 H new ATOM 0 HA ASP A 58 12.094 8.509 0.167 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.059 8.378 -0.506 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.931 9.847 -0.111 1.00 8.41 H new ATOM 927 N TYR A 59 10.163 6.674 1.909 1.00 7.97 N ATOM 928 CA TYR A 59 9.850 6.331 3.265 1.00 8.45 C ATOM 929 C TYR A 59 10.846 5.270 3.745 1.00 10.98 C ATOM 930 O TYR A 59 10.581 4.560 4.727 1.00 12.95 O ATOM 931 CB TYR A 59 8.410 5.776 3.293 1.00 7.94 C ATOM 932 CG TYR A 59 7.419 6.806 2.780 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.144 7.921 3.609 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.739 6.640 1.631 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.268 8.902 3.216 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.868 7.669 1.139 1.00 6.52 C ATOM 937 CZ TYR A 59 5.690 8.807 1.995 1.00 6.76 C ATOM 938 OH TYR A 59 5.031 9.940 1.435 1.00 7.63 O ATOM 0 H TYR A 59 9.988 5.920 1.245 1.00 7.97 H new ATOM 0 HA TYR A 59 9.919 7.199 3.921 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.352 4.875 2.682 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.147 5.489 4.311 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.633 8.001 4.569 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.850 5.722 1.073 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.044 9.733 3.868 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.375 7.592 0.181 1.00 6.52 H new ATOM 0 HH TYR A 59 4.671 9.706 0.554 1.00 7.63 H new ATOM 948 N ASN A 60 11.974 5.043 3.027 1.00 12.38 N ATOM 949 CA ASN A 60 13.020 4.046 3.169 1.00 13.94 C ATOM 950 C ASN A 60 12.524 2.625 3.514 1.00 14.16 C ATOM 951 O ASN A 60 13.250 1.961 4.251 1.00 14.26 O ATOM 952 CB ASN A 60 14.173 4.516 4.125 1.00 19.23 C ATOM 953 CG ASN A 60 14.554 5.978 3.752 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.461 6.888 4.609 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.020 6.165 2.509 1.00 24.09 N ATOM 0 H ASN A 60 12.181 5.647 2.232 1.00 12.38 H new ATOM 0 HA ASN A 60 13.439 3.956 2.167 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.850 4.462 5.165 1.00 19.23 H new ATOM 0 HB3 ASN A 60 15.039 3.861 4.026 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.325 7.092 2.213 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.070 5.380 1.859 1.00 24.09 H new ATOM 962 N ILE A 61 11.375 2.243 2.936 1.00 11.08 N ATOM 963 CA ILE A 61 10.775 0.910 3.060 1.00 11.78 C ATOM 964 C ILE A 61 11.798 -0.152 2.532 1.00 13.74 C ATOM 965 O ILE A 61 12.470 0.027 1.497 1.00 14.60 O ATOM 966 CB ILE A 61 9.374 0.853 2.448 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.495 1.831 3.226 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.887 -0.567 2.362 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.060 2.141 2.617 1.00 11.42 C ATOM 0 H ILE A 61 10.823 2.873 2.353 1.00 11.08 H new ATOM 0 HA ILE A 61 10.589 0.664 4.105 1.00 11.78 H new ATOM 0 HB ILE A 61 9.354 1.179 1.408 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.359 1.439 4.234 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.035 2.773 3.320 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.889 -0.583 1.924 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.567 -1.148 1.738 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.852 -1.001 3.361 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.536 2.847 3.261 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.172 2.572 1.622 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.486 1.217 2.550 1.00 11.42 H new ATOM 981 N GLN A 62 11.995 -1.295 3.229 1.00 13.97 N ATOM 982 CA GLN A 62 12.951 -2.275 2.856 1.00 15.52 C ATOM 983 C GLN A 62 12.292 -3.540 2.500 1.00 13.94 C ATOM 984 O GLN A 62 11.077 -3.720 2.608 1.00 12.15 O ATOM 985 CB GLN A 62 13.908 -2.437 4.021 1.00 19.53 C ATOM 986 CG GLN A 62 14.666 -1.134 4.399 1.00 26.38 C ATOM 987 CD GLN A 62 15.529 -0.608 3.271 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.622 -1.130 3.024 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.081 0.508 2.579 1.00 32.71 N ATOM 0 H GLN A 62 11.471 -1.533 4.071 1.00 13.97 H new ATOM 0 HA GLN A 62 13.503 -1.964 1.969 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.351 -2.787 4.890 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.635 -3.211 3.776 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.944 -0.369 4.685 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.292 -1.323 5.271 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.174 0.918 2.804 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.658 0.919 1.845 1.00 32.71 H new ATOM 998 N LYS A 63 13.064 -4.529 2.011 1.00 11.73 N ATOM 999 CA LYS A 63 12.582 -5.864 1.694 1.00 11.97 C ATOM 1000 C LYS A 63 11.906 -6.533 2.910 1.00 10.41 C ATOM 1001 O LYS A 63 12.436 -6.541 4.026 1.00 9.59 O ATOM 1002 CB LYS A 63 13.634 -6.838 1.077 1.00 13.73 C ATOM 1003 CG LYS A 63 14.791 -7.198 2.042 1.00 16.98 C ATOM 1004 CD LYS A 63 15.653 -8.221 1.212 1.00 20.19 C ATOM 1005 CE LYS A 63 16.811 -8.868 1.986 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.418 -9.649 3.216 1.00 25.97 N ATOM 0 H LYS A 63 14.060 -4.408 1.826 1.00 11.73 H new ATOM 0 HA LYS A 63 11.850 -5.684 0.907 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.131 -7.755 0.769 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.051 -6.386 0.177 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.370 -6.318 2.321 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.420 -7.642 2.966 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.998 -9.009 0.841 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.059 -7.708 0.340 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.348 -9.534 1.311 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.509 -8.085 2.283 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.270 -10.043 3.664 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.934 -9.019 3.887 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.779 -10.424 2.946 1.00 25.97 H new ATOM 1020 N GLU A 64 10.769 -7.166 2.731 1.00 10.04 N ATOM 1021 CA GLU A 64 10.106 -7.903 3.751 1.00 10.94 C ATOM 1022 C GLU A 64 9.507 -7.110 4.830 1.00 9.74 C ATOM 1023 O GLU A 64 9.734 -7.286 6.009 1.00 9.42 O ATOM 1024 CB GLU A 64 10.842 -9.164 4.280 1.00 18.31 C ATOM 1025 CG GLU A 64 11.331 -10.087 3.141 1.00 24.16 C ATOM 1026 CD GLU A 64 12.009 -11.366 3.758 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.250 -11.482 5.004 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.493 -12.144 2.888 1.00 31.72 O ATOM 0 H GLU A 64 10.275 -7.175 1.839 1.00 10.04 H new ATOM 0 HA GLU A 64 9.263 -8.294 3.182 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.695 -8.856 4.885 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.173 -9.723 4.934 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.493 -10.376 2.507 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.041 -9.556 2.507 1.00 24.16 H new ATOM 1035 N SER A 65 8.760 -6.096 4.360 1.00 6.85 N ATOM 1036 CA SER A 65 8.219 -5.056 5.206 1.00 6.90 C ATOM 1037 C SER A 65 6.722 -5.222 5.300 1.00 4.72 C ATOM 1038 O SER A 65 5.988 -5.524 4.358 1.00 3.91 O ATOM 1039 CB SER A 65 8.721 -3.635 4.902 1.00 7.28 C ATOM 1040 OG SER A 65 8.558 -2.762 6.021 1.00 10.56 O ATOM 0 H SER A 65 8.522 -5.988 3.374 1.00 6.85 H new ATOM 0 HA SER A 65 8.624 -5.188 6.209 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.774 -3.674 4.622 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.178 -3.234 4.046 1.00 7.28 H new ATOM 0 HG SER A 65 8.889 -1.869 5.790 1.00 10.56 H new ATOM 1046 N THR A 66 6.157 -4.920 6.504 1.00 4.48 N ATOM 1047 CA THR A 66 4.777 -4.986 6.779 1.00 3.80 C ATOM 1048 C THR A 66 4.137 -3.641 6.568 1.00 4.60 C ATOM 1049 O THR A 66 4.522 -2.690 7.224 1.00 5.33 O ATOM 1050 CB THR A 66 4.465 -5.520 8.180 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.212 -6.723 8.271 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.968 -5.892 8.279 1.00 3.40 C ATOM 0 H THR A 66 6.709 -4.618 7.307 1.00 4.48 H new ATOM 0 HA THR A 66 4.352 -5.704 6.077 1.00 3.80 H new ATOM 0 HB THR A 66 4.700 -4.791 8.955 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.067 -7.132 9.150 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.753 -6.271 9.278 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.360 -5.008 8.088 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.734 -6.660 7.541 1.00 3.40 H new ATOM 1060 N LEU A 67 3.132 -3.507 5.688 1.00 4.17 N ATOM 1061 CA LEU A 67 2.222 -2.438 5.407 1.00 3.85 C ATOM 1062 C LEU A 67 0.888 -2.693 6.056 1.00 3.80 C ATOM 1063 O LEU A 67 0.588 -3.782 6.464 1.00 5.54 O ATOM 1064 CB LEU A 67 2.049 -2.226 3.905 1.00 7.18 C ATOM 1065 CG LEU A 67 3.103 -1.319 3.200 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.558 0.090 3.122 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.533 -1.268 3.801 1.00 11.66 C ATOM 0 H LEU A 67 2.928 -4.290 5.068 1.00 4.17 H new ATOM 0 HA LEU A 67 2.649 -1.526 5.825 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.061 -3.202 3.420 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.062 -1.797 3.733 1.00 7.18 H new ATOM 0 HG LEU A 67 3.245 -1.791 2.228 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.286 0.735 2.631 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.630 0.090 2.551 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.365 0.462 4.128 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.154 -0.598 3.206 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.484 -0.902 4.827 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.967 -2.268 3.793 1.00 11.66 H new ATOM 1079 N HIS A 68 0.112 -1.681 6.267 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.257 -1.772 6.756 1.00 4.17 C ATOM 1081 C HIS A 68 -2.117 -1.118 5.696 1.00 5.32 C ATOM 1082 O HIS A 68 -1.670 -0.135 5.118 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.434 -1.119 8.141 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.149 -2.142 9.233 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.114 -2.660 9.438 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.974 -2.633 10.165 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.067 -3.474 10.530 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.224 -3.498 10.989 1.00 16.30 N ATOM 0 H HIS A 68 0.412 -0.720 6.101 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.548 -2.811 6.912 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.759 -0.269 8.241 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.449 -0.735 8.245 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.025 -2.408 10.268 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.902 -4.008 10.959 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.576 -4.040 11.778 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.281 -1.715 5.363 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.161 -1.111 4.390 1.00 3.97 C ATOM 1098 C LEU A 69 -5.369 -0.572 5.145 1.00 5.07 C ATOM 1099 O LEU A 69 -5.989 -1.297 5.915 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.563 -2.218 3.353 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.730 -1.894 2.347 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.377 -0.842 1.346 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.219 -3.170 1.629 1.00 9.96 C ATOM 0 H LEU A 69 -3.612 -2.597 5.755 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.692 -0.290 3.848 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.677 -2.467 2.769 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.840 -3.113 3.910 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.540 -1.491 2.955 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.226 -0.669 0.685 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.126 0.084 1.864 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.521 -1.172 0.758 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.025 -2.914 0.941 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.393 -3.613 1.072 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.584 -3.885 2.366 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.862 0.645 4.804 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.184 1.094 5.217 1.00 6.26 C ATOM 1117 C VAL A 70 -8.119 1.437 4.074 1.00 9.22 C ATOM 1118 O VAL A 70 -7.741 2.194 3.200 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.098 2.394 6.015 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.450 2.857 6.609 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.144 2.296 7.165 1.00 8.54 C ATOM 0 H VAL A 70 -5.349 1.324 4.241 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.567 0.246 5.785 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.754 3.118 5.276 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.306 3.786 7.161 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.165 3.021 5.802 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.833 2.091 7.283 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.120 3.246 7.699 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.470 1.507 7.842 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.147 2.064 6.792 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.288 0.816 3.983 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.322 1.112 3.035 1.00 16.06 C ATOM 1133 C LEU A 71 -10.827 2.539 3.314 1.00 18.09 C ATOM 1134 O LEU A 71 -11.375 2.890 4.340 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.435 0.075 3.128 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.979 -1.368 2.812 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.064 -2.428 3.058 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.459 -1.605 1.367 1.00 19.57 C ATOM 0 H LEU A 71 -9.541 0.052 4.609 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.941 1.067 2.015 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.857 0.100 4.133 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.234 0.352 2.440 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.152 -1.481 3.513 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.670 -3.415 2.814 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.364 -2.405 4.106 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.928 -2.217 2.429 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.166 -2.649 1.252 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.248 -1.369 0.653 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.598 -0.963 1.180 1.00 19.57 H new