USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 136:sc= 0.651 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.508 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.00658 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 178:sc= 0.713 (180deg=-0.141) USER MOD Set 3.2: A 12 THR OG1 : rot 155:sc= 0.741 USER MOD Single : A 1 MET CE :methyl -147:sc=-0.00555 (180deg=-0.482) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.29 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= 1.22 (180deg=-0.48!) 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 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= 1.83 (180deg=1.51) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.431 K(o=-0.43,f=-0.96) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.425 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -158:sc= 0.264 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.422 K(o=0.42,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.696 -6.646 -4.586 1.00 9.67 N ATOM 2 CA MET A 1 11.721 -6.983 -3.165 1.00 10.38 C ATOM 3 C MET A 1 10.312 -7.424 -2.761 1.00 9.62 C ATOM 4 O MET A 1 9.318 -6.994 -3.337 1.00 9.62 O ATOM 5 CB MET A 1 12.103 -5.723 -2.413 1.00 13.77 C ATOM 6 CG MET A 1 11.237 -4.438 -2.545 1.00 16.29 C ATOM 7 SD MET A 1 11.852 -3.204 -1.321 1.00 17.17 S ATOM 8 CE MET A 1 10.281 -2.502 -0.776 1.00 16.11 C ATOM 0 H1 MET A 1 12.553 -6.110 -4.831 1.00 9.67 H new ATOM 0 H2 MET A 1 11.661 -7.520 -5.149 1.00 9.67 H new ATOM 0 H3 MET A 1 10.856 -6.068 -4.791 1.00 9.67 H new ATOM 0 HA MET A 1 12.429 -7.782 -2.945 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.142 -5.978 -1.354 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.117 -5.461 -2.716 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.303 -4.037 -3.556 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.187 -4.666 -2.361 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.418 -1.448 -0.535 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.543 -2.600 -1.572 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.932 -3.034 0.109 1.00 16.11 H new ATOM 20 N GLN A 2 10.184 -8.374 -1.834 1.00 9.27 N ATOM 21 CA GLN A 2 8.915 -8.822 -1.331 1.00 9.07 C ATOM 22 C GLN A 2 8.512 -8.041 -0.104 1.00 8.72 C ATOM 23 O GLN A 2 9.284 -7.919 0.843 1.00 8.22 O ATOM 24 CB GLN A 2 9.015 -10.326 -1.056 1.00 14.46 C ATOM 25 CG GLN A 2 7.715 -11.121 -0.690 1.00 17.01 C ATOM 26 CD GLN A 2 7.915 -12.642 -0.482 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.746 -13.142 0.623 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.288 -13.370 -1.563 1.00 19.49 N ATOM 0 H GLN A 2 10.981 -8.852 -1.414 1.00 9.27 H new ATOM 0 HA GLN A 2 8.132 -8.647 -2.069 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.448 -10.794 -1.940 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.726 -10.465 -0.241 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.293 -10.697 0.221 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.981 -10.971 -1.481 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.418 -12.913 -2.466 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.439 -14.375 -1.474 1.00 19.49 H new ATOM 37 N ILE A 3 7.213 -7.580 -0.106 1.00 5.87 N ATOM 38 CA ILE A 3 6.595 -7.002 1.120 1.00 5.07 C ATOM 39 C ILE A 3 5.259 -7.601 1.475 1.00 4.01 C ATOM 40 O ILE A 3 4.632 -8.358 0.746 1.00 4.61 O ATOM 41 CB ILE A 3 6.293 -5.491 1.059 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.468 -5.076 -0.167 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.636 -4.768 1.134 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.962 -3.682 0.009 1.00 10.83 C ATOM 0 H ILE A 3 6.600 -7.600 -0.921 1.00 5.87 H new ATOM 0 HA ILE A 3 7.372 -7.228 1.850 1.00 5.07 H new ATOM 0 HB ILE A 3 5.657 -5.212 1.899 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.080 -5.139 -1.067 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.631 -5.761 -0.302 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.472 -3.691 1.094 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.136 -5.025 2.068 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.260 -5.071 0.293 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.377 -3.394 -0.865 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.334 -3.633 0.898 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.805 -3.000 0.122 1.00 10.83 H new ATOM 56 N PHE A 4 4.715 -7.257 2.692 1.00 4.55 N ATOM 57 CA PHE A 4 3.427 -7.740 3.208 1.00 4.68 C ATOM 58 C PHE A 4 2.502 -6.579 3.402 1.00 5.30 C ATOM 59 O PHE A 4 2.865 -5.533 3.914 1.00 5.58 O ATOM 60 CB PHE A 4 3.559 -8.472 4.594 1.00 4.83 C ATOM 61 CG PHE A 4 4.626 -9.514 4.486 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.614 -10.556 3.536 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.736 -9.432 5.313 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.678 -11.501 3.469 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.783 -10.368 5.300 1.00 10.61 C ATOM 66 CZ PHE A 4 6.748 -11.426 4.390 1.00 8.90 C ATOM 0 H PHE A 4 5.186 -6.623 3.337 1.00 4.55 H new ATOM 0 HA PHE A 4 3.046 -8.451 2.475 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.808 -7.756 5.377 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.610 -8.930 4.871 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.785 -10.639 2.848 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.799 -8.604 6.004 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.667 -12.274 2.715 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.609 -10.270 5.989 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.526 -12.175 4.390 1.00 8.90 H new ATOM 76 N VAL A 5 1.174 -6.775 3.075 1.00 4.44 N ATOM 77 CA VAL A 5 0.112 -5.848 3.292 1.00 3.87 C ATOM 78 C VAL A 5 -0.848 -6.594 4.296 1.00 4.93 C ATOM 79 O VAL A 5 -1.256 -7.709 3.930 1.00 6.84 O ATOM 80 CB VAL A 5 -0.614 -5.473 1.958 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.920 -4.719 2.282 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.267 -4.544 1.157 1.00 9.13 C ATOM 0 H VAL A 5 0.852 -7.637 2.636 1.00 4.44 H new ATOM 0 HA VAL A 5 0.466 -4.896 3.689 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.825 -6.383 1.397 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.428 -4.456 1.354 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.569 -5.356 2.883 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.687 -3.811 2.838 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.235 -4.280 0.226 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.462 -3.640 1.734 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.211 -5.041 0.932 1.00 9.13 H new ATOM 92 N LYS A 6 -1.144 -6.028 5.473 1.00 6.04 N ATOM 93 CA LYS A 6 -2.032 -6.596 6.458 1.00 6.12 C ATOM 94 C LYS A 6 -3.290 -5.773 6.622 1.00 6.57 C ATOM 95 O LYS A 6 -3.245 -4.569 6.949 1.00 5.76 O ATOM 96 CB LYS A 6 -1.290 -6.746 7.739 1.00 7.45 C ATOM 97 CG LYS A 6 -0.300 -7.974 7.663 1.00 11.12 C ATOM 98 CD LYS A 6 0.484 -8.155 8.932 1.00 14.54 C ATOM 99 CE LYS A 6 1.483 -9.313 8.912 1.00 18.84 C ATOM 100 NZ LYS A 6 0.698 -10.548 8.942 1.00 20.55 N ATOM 0 H LYS A 6 -0.751 -5.132 5.762 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.363 -7.578 6.122 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.732 -5.834 7.952 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.994 -6.888 8.559 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.866 -8.882 7.456 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.389 -7.831 6.830 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.024 -7.232 9.143 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.214 -8.311 9.754 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.105 -9.272 8.018 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.154 -9.260 9.770 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.337 -11.367 8.895 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.148 -10.588 9.823 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.051 -10.568 8.128 1.00 20.55 H new ATOM 114 N THR A 7 -4.377 -6.375 6.355 1.00 7.41 N ATOM 115 CA THR A 7 -5.626 -5.630 6.176 1.00 7.48 C ATOM 116 C THR A 7 -6.398 -5.735 7.514 1.00 8.75 C ATOM 117 O THR A 7 -6.092 -6.498 8.423 1.00 8.58 O ATOM 118 CB THR A 7 -6.529 -6.205 5.083 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.163 -7.485 5.309 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.718 -6.490 3.831 1.00 9.17 C ATOM 0 H THR A 7 -4.463 -7.386 6.248 1.00 7.41 H new ATOM 0 HA THR A 7 -5.373 -4.611 5.885 1.00 7.48 H new ATOM 0 HB THR A 7 -7.293 -5.429 5.031 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.708 -7.722 4.530 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.371 -6.899 3.060 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.267 -5.565 3.471 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.934 -7.211 4.062 1.00 9.17 H new ATOM 128 N LEU A 8 -7.447 -4.817 7.740 1.00 9.84 N ATOM 129 CA LEU A 8 -8.178 -4.631 8.996 1.00 14.15 C ATOM 130 C LEU A 8 -9.119 -5.748 9.289 1.00 17.37 C ATOM 131 O LEU A 8 -9.731 -5.880 10.361 1.00 17.01 O ATOM 132 CB LEU A 8 -8.887 -3.281 9.199 1.00 16.63 C ATOM 133 CG LEU A 8 -7.897 -2.077 9.207 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.548 -0.745 9.481 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.738 -2.248 10.229 1.00 18.59 C ATOM 0 H LEU A 8 -7.779 -4.193 7.004 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.364 -4.632 9.721 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.621 -3.138 8.406 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.436 -3.301 10.141 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.505 -2.078 8.190 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.791 0.039 9.469 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.295 -0.540 8.714 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.030 -0.770 10.458 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.084 -1.377 10.186 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.150 -2.343 11.234 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.167 -3.144 9.985 1.00 18.59 H new ATOM 147 N THR A 9 -9.318 -6.623 8.284 1.00 18.33 N ATOM 148 CA THR A 9 -10.234 -7.729 8.328 1.00 19.24 C ATOM 149 C THR A 9 -9.457 -9.004 8.418 1.00 19.48 C ATOM 150 O THR A 9 -10.006 -10.040 8.174 1.00 23.14 O ATOM 151 CB THR A 9 -11.249 -7.815 7.076 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.536 -7.910 5.821 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.090 -6.554 7.025 1.00 19.70 C ATOM 0 H THR A 9 -8.817 -6.558 7.398 1.00 18.33 H new ATOM 0 HA THR A 9 -10.857 -7.569 9.208 1.00 19.24 H new ATOM 0 HB THR A 9 -11.865 -8.704 7.212 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.179 -7.962 5.083 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.777 -6.609 6.180 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.659 -6.458 7.950 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.439 -5.687 6.908 1.00 19.70 H new ATOM 161 N GLY A 10 -8.226 -8.936 8.898 1.00 19.43 N ATOM 162 CA GLY A 10 -7.463 -10.130 9.247 1.00 18.74 C ATOM 163 C GLY A 10 -6.735 -10.836 8.143 1.00 17.62 C ATOM 164 O GLY A 10 -6.231 -11.963 8.276 1.00 19.74 O ATOM 0 H GLY A 10 -7.728 -8.060 9.057 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.733 -9.852 10.007 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.147 -10.843 9.708 1.00 18.74 H new ATOM 168 N LYS A 11 -6.660 -10.299 6.928 1.00 13.56 N ATOM 169 CA LYS A 11 -5.952 -10.962 5.824 1.00 11.91 C ATOM 170 C LYS A 11 -4.618 -10.384 5.699 1.00 10.18 C ATOM 171 O LYS A 11 -4.388 -9.145 5.760 1.00 9.10 O ATOM 172 CB LYS A 11 -6.730 -10.819 4.546 1.00 13.43 C ATOM 173 CG LYS A 11 -6.256 -11.717 3.360 1.00 16.69 C ATOM 174 CD LYS A 11 -7.132 -11.519 2.126 1.00 17.92 C ATOM 175 CE LYS A 11 -7.067 -12.557 0.956 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.022 -12.370 -0.111 1.00 21.93 N ATOM 0 H LYS A 11 -7.080 -9.404 6.677 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.856 -12.027 6.033 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.776 -11.044 4.752 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.684 -9.777 4.229 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.221 -11.481 3.114 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.281 -12.764 3.662 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.167 -11.474 2.465 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.891 -10.542 1.708 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.065 -12.530 0.528 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.209 -13.554 1.373 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.497 -13.273 -0.314 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.729 -11.663 0.176 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.528 -12.039 -0.965 1.00 21.93 H new ATOM 190 N THR A 12 -3.630 -11.246 5.410 1.00 9.63 N ATOM 191 CA THR A 12 -2.306 -10.824 5.062 1.00 9.85 C ATOM 192 C THR A 12 -2.120 -11.138 3.561 1.00 11.66 C ATOM 193 O THR A 12 -2.405 -12.272 3.147 1.00 12.33 O ATOM 194 CB THR A 12 -1.246 -11.583 5.880 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.456 -11.325 7.285 1.00 10.91 O ATOM 196 CG2 THR A 12 0.152 -11.094 5.517 1.00 9.63 C ATOM 0 H THR A 12 -3.751 -12.259 5.417 1.00 9.63 H new ATOM 0 HA THR A 12 -2.183 -9.762 5.273 1.00 9.85 H new ATOM 0 HB THR A 12 -1.335 -12.647 5.662 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.090 -12.066 7.812 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.892 -11.639 6.103 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.333 -11.264 4.456 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.232 -10.029 5.733 1.00 9.63 H new ATOM 204 N ILE A 13 -1.543 -10.243 2.768 1.00 10.42 N ATOM 205 CA ILE A 13 -1.273 -10.503 1.342 1.00 11.84 C ATOM 206 C ILE A 13 0.125 -10.165 1.098 1.00 10.55 C ATOM 207 O ILE A 13 0.797 -9.381 1.808 1.00 11.92 O ATOM 208 CB ILE A 13 -2.268 -9.904 0.350 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.311 -8.380 0.456 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.665 -10.516 0.629 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.254 -7.723 -0.533 1.00 16.46 C ATOM 0 H ILE A 13 -1.247 -9.319 3.084 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.437 -11.562 1.143 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.954 -10.142 -0.666 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.610 -8.104 1.467 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.306 -7.986 0.302 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.391 -10.100 -0.070 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.620 -11.598 0.504 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.968 -10.281 1.649 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.229 -6.642 -0.396 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.944 -7.967 -1.549 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.268 -8.087 -0.366 1.00 16.46 H new ATOM 223 N THR A 14 0.707 -10.798 0.030 1.00 9.39 N ATOM 224 CA THR A 14 2.080 -10.751 -0.328 1.00 9.63 C ATOM 225 C THR A 14 2.298 -10.039 -1.633 1.00 11.20 C ATOM 226 O THR A 14 1.732 -10.472 -2.671 1.00 11.63 O ATOM 227 CB THR A 14 2.675 -12.133 -0.482 1.00 10.38 C ATOM 228 OG1 THR A 14 2.497 -12.904 0.714 1.00 16.30 O ATOM 229 CG2 THR A 14 4.154 -12.044 -0.775 1.00 11.66 C ATOM 0 H THR A 14 0.161 -11.375 -0.611 1.00 9.39 H new ATOM 0 HA THR A 14 2.566 -10.214 0.487 1.00 9.63 H new ATOM 0 HB THR A 14 2.159 -12.619 -1.310 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.888 -13.794 0.591 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.565 -13.048 -0.883 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.309 -11.488 -1.699 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.657 -11.532 0.045 1.00 11.66 H new ATOM 237 N LEU A 15 3.232 -9.105 -1.716 1.00 8.29 N ATOM 238 CA LEU A 15 3.423 -8.367 -2.978 1.00 9.03 C ATOM 239 C LEU A 15 4.882 -8.327 -3.313 1.00 8.59 C ATOM 240 O LEU A 15 5.691 -8.136 -2.395 1.00 7.79 O ATOM 241 CB LEU A 15 3.004 -6.928 -2.795 1.00 11.08 C ATOM 242 CG LEU A 15 1.469 -6.878 -2.605 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.114 -5.468 -2.099 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.611 -7.207 -3.802 1.00 15.27 C ATOM 0 H LEU A 15 3.858 -8.837 -0.956 1.00 8.29 H new ATOM 0 HA LEU A 15 2.839 -8.861 -3.754 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.506 -6.496 -1.930 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.297 -6.336 -3.662 1.00 11.08 H new ATOM 0 HG LEU A 15 1.238 -7.677 -1.900 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.036 -5.394 -1.953 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.622 -5.282 -1.153 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.432 -4.727 -2.833 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.441 -7.133 -3.527 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.826 -6.505 -4.608 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.828 -8.221 -4.137 1.00 15.27 H new ATOM 256 N GLU A 16 5.279 -8.509 -4.558 1.00 11.04 N ATOM 257 CA GLU A 16 6.602 -8.297 -5.070 1.00 11.50 C ATOM 258 C GLU A 16 6.647 -6.978 -5.731 1.00 10.13 C ATOM 259 O GLU A 16 5.971 -6.752 -6.781 1.00 9.83 O ATOM 260 CB GLU A 16 7.097 -9.410 -6.125 1.00 17.22 C ATOM 261 CG GLU A 16 7.159 -10.801 -5.412 1.00 23.33 C ATOM 262 CD GLU A 16 7.253 -11.984 -6.354 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.269 -12.099 -7.079 1.00 28.86 O ATOM 264 OE2 GLU A 16 6.306 -12.821 -6.470 1.00 28.90 O ATOM 0 H GLU A 16 4.635 -8.831 -5.280 1.00 11.04 H new ATOM 0 HA GLU A 16 7.274 -8.360 -4.214 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.415 -9.453 -6.974 1.00 17.22 H new ATOM 0 HB3 GLU A 16 8.079 -9.145 -6.518 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.020 -10.815 -4.744 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.271 -10.917 -4.790 1.00 23.33 H new ATOM 271 N VAL A 17 7.435 -6.015 -5.241 1.00 8.99 N ATOM 272 CA VAL A 17 7.496 -4.629 -5.681 1.00 8.85 C ATOM 273 C VAL A 17 8.929 -4.259 -5.891 1.00 8.04 C ATOM 274 O VAL A 17 9.870 -4.890 -5.424 1.00 8.99 O ATOM 275 CB VAL A 17 6.809 -3.659 -4.780 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.312 -3.864 -4.702 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.441 -3.767 -3.415 1.00 10.54 C ATOM 0 H VAL A 17 8.086 -6.201 -4.478 1.00 8.99 H new ATOM 0 HA VAL A 17 6.939 -4.563 -6.616 1.00 8.85 H new ATOM 0 HB VAL A 17 6.937 -2.658 -5.192 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.878 -3.124 -4.029 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.877 -3.751 -5.695 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.101 -4.865 -4.325 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.957 -3.067 -2.734 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.321 -4.783 -3.038 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.502 -3.529 -3.486 1.00 10.54 H new ATOM 287 N GLU A 18 9.127 -3.085 -6.543 1.00 7.29 N ATOM 288 CA GLU A 18 10.408 -2.434 -6.613 1.00 7.08 C ATOM 289 C GLU A 18 10.558 -1.254 -5.650 1.00 6.45 C ATOM 290 O GLU A 18 9.544 -0.651 -5.409 1.00 5.28 O ATOM 291 CB GLU A 18 10.779 -2.022 -8.102 1.00 10.28 C ATOM 292 CG GLU A 18 10.975 -3.215 -9.075 1.00 12.65 C ATOM 293 CD GLU A 18 12.326 -3.973 -8.882 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.139 -3.535 -8.022 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.547 -4.974 -9.635 1.00 14.33 O ATOM 0 H GLU A 18 8.384 -2.583 -7.028 1.00 7.29 H new ATOM 0 HA GLU A 18 11.129 -3.180 -6.278 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.992 -1.377 -8.493 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.695 -1.431 -8.084 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.153 -3.918 -8.942 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.919 -2.848 -10.100 1.00 12.65 H new ATOM 302 N PRO A 19 11.664 -0.832 -5.078 1.00 7.24 N ATOM 303 CA PRO A 19 11.726 0.365 -4.315 1.00 7.07 C ATOM 304 C PRO A 19 11.363 1.650 -5.138 1.00 6.65 C ATOM 305 O PRO A 19 10.864 2.548 -4.529 1.00 6.37 O ATOM 306 CB PRO A 19 13.192 0.361 -3.834 1.00 7.61 C ATOM 307 CG PRO A 19 13.992 -0.395 -4.940 1.00 8.16 C ATOM 308 CD PRO A 19 12.959 -1.425 -5.266 1.00 7.49 C ATOM 0 HA PRO A 19 10.997 0.393 -3.505 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.565 1.377 -3.705 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.287 -0.139 -2.870 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.247 0.238 -5.790 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.924 -0.826 -4.573 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.075 -1.769 -6.294 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.075 -2.298 -4.623 1.00 7.49 H new ATOM 316 N SER A 20 11.641 1.613 -6.484 1.00 6.80 N ATOM 317 CA SER A 20 11.149 2.587 -7.436 1.00 6.28 C ATOM 318 C SER A 20 9.683 2.688 -7.713 1.00 8.45 C ATOM 319 O SER A 20 9.230 3.717 -8.127 1.00 7.26 O ATOM 320 CB SER A 20 11.825 2.367 -8.839 1.00 8.57 C ATOM 321 OG SER A 20 11.666 0.988 -9.276 1.00 11.13 O ATOM 0 H SER A 20 12.220 0.888 -6.909 1.00 6.80 H new ATOM 0 HA SER A 20 11.410 3.509 -6.916 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.380 3.040 -9.572 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.885 2.615 -8.781 1.00 8.57 H new ATOM 0 HG SER A 20 12.091 0.871 -10.151 1.00 11.13 H new ATOM 327 N ASP A 21 8.839 1.762 -7.343 1.00 7.50 N ATOM 328 CA ASP A 21 7.383 1.888 -7.596 1.00 7.70 C ATOM 329 C ASP A 21 6.688 2.876 -6.690 1.00 7.08 C ATOM 330 O ASP A 21 7.007 3.012 -5.498 1.00 8.11 O ATOM 331 CB ASP A 21 6.560 0.544 -7.368 1.00 11.00 C ATOM 332 CG ASP A 21 7.051 -0.427 -8.457 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.107 -0.194 -9.686 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.164 -1.628 -8.010 1.00 14.36 O ATOM 0 H ASP A 21 9.110 0.903 -6.864 1.00 7.50 H new ATOM 0 HA ASP A 21 7.378 2.202 -8.640 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.738 0.139 -6.372 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.488 0.721 -7.454 1.00 11.00 H new ATOM 339 N THR A 22 5.613 3.539 -7.177 1.00 5.37 N ATOM 340 CA THR A 22 4.824 4.456 -6.402 1.00 6.01 C ATOM 341 C THR A 22 3.829 3.754 -5.544 1.00 8.01 C ATOM 342 O THR A 22 3.375 2.660 -5.915 1.00 8.11 O ATOM 343 CB THR A 22 4.105 5.539 -7.207 1.00 8.92 C ATOM 344 OG1 THR A 22 3.472 4.998 -8.353 1.00 10.22 O ATOM 345 CG2 THR A 22 5.013 6.617 -7.799 1.00 9.65 C ATOM 0 H THR A 22 5.285 3.433 -8.137 1.00 5.37 H new ATOM 0 HA THR A 22 5.566 4.962 -5.785 1.00 6.01 H new ATOM 0 HB THR A 22 3.425 5.963 -6.469 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.020 5.714 -8.846 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.410 7.338 -8.351 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.543 7.128 -6.995 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.734 6.155 -8.474 1.00 9.65 H new ATOM 353 N ILE A 23 3.380 4.372 -4.438 1.00 8.32 N ATOM 354 CA ILE A 23 2.252 3.908 -3.556 1.00 9.92 C ATOM 355 C ILE A 23 0.924 3.634 -4.305 1.00 10.01 C ATOM 356 O ILE A 23 0.380 2.548 -4.205 1.00 8.71 O ATOM 357 CB ILE A 23 1.982 4.855 -2.370 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.325 5.255 -1.714 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.012 4.228 -1.328 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.137 4.090 -1.160 1.00 12.30 C ATOM 0 H ILE A 23 3.796 5.242 -4.106 1.00 8.32 H new ATOM 0 HA ILE A 23 2.614 2.954 -3.172 1.00 9.92 H new ATOM 0 HB ILE A 23 1.488 5.748 -2.752 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.930 5.784 -2.451 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.123 5.957 -0.905 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.852 4.931 -0.511 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.059 4.004 -1.807 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.445 3.308 -0.935 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.061 4.467 -0.720 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.556 3.572 -0.396 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.376 3.397 -1.967 1.00 12.30 H new ATOM 372 N GLU A 24 0.510 4.530 -5.220 1.00 9.54 N ATOM 373 CA GLU A 24 -0.479 4.290 -6.225 1.00 11.81 C ATOM 374 C GLU A 24 -0.338 3.003 -6.928 1.00 11.14 C ATOM 375 O GLU A 24 -1.251 2.228 -7.003 1.00 10.62 O ATOM 376 CB GLU A 24 -0.348 5.535 -7.201 1.00 19.24 C ATOM 377 CG GLU A 24 -1.519 5.658 -8.204 1.00 27.76 C ATOM 378 CD GLU A 24 -1.154 6.505 -9.397 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.338 6.108 -10.253 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.741 7.623 -9.456 1.00 34.80 O ATOM 0 H GLU A 24 0.888 5.476 -5.260 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.470 4.200 -5.781 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.291 6.447 -6.608 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.588 5.456 -7.755 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.813 4.664 -8.541 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.383 6.093 -7.701 1.00 27.76 H new ATOM 387 N ASN A 25 0.942 2.693 -7.397 1.00 9.43 N ATOM 388 CA ASN A 25 1.274 1.567 -8.290 1.00 10.96 C ATOM 389 C ASN A 25 1.107 0.263 -7.498 1.00 9.68 C ATOM 390 O ASN A 25 0.551 -0.693 -8.060 1.00 9.33 O ATOM 391 CB ASN A 25 2.659 1.605 -8.995 1.00 16.78 C ATOM 392 CG ASN A 25 2.892 0.556 -10.047 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.440 -0.522 -9.735 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.554 0.834 -11.300 1.00 24.70 N ATOM 0 H ASN A 25 1.760 3.246 -7.142 1.00 9.43 H new ATOM 0 HA ASN A 25 0.578 1.644 -9.125 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.784 2.586 -9.454 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.434 1.508 -8.235 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.741 0.158 -12.041 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.108 1.724 -11.522 1.00 24.70 H new ATOM 401 N VAL A 26 1.443 0.246 -6.226 1.00 6.52 N ATOM 402 CA VAL A 26 1.266 -0.905 -5.357 1.00 5.53 C ATOM 403 C VAL A 26 -0.196 -1.084 -5.007 1.00 4.42 C ATOM 404 O VAL A 26 -0.623 -2.185 -4.833 1.00 3.40 O ATOM 405 CB VAL A 26 2.083 -0.787 -4.046 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.085 -1.997 -3.203 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.511 -0.440 -4.298 1.00 8.12 C ATOM 0 H VAL A 26 1.857 1.049 -5.753 1.00 6.52 H new ATOM 0 HA VAL A 26 1.631 -1.770 -5.910 1.00 5.53 H new ATOM 0 HB VAL A 26 1.565 0.010 -3.513 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.683 -1.817 -2.309 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.063 -2.240 -2.913 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.511 -2.830 -3.763 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.041 -0.369 -3.348 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.970 -1.214 -4.913 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.567 0.517 -4.817 1.00 8.12 H new ATOM 417 N LYS A 27 -0.992 0.001 -4.994 1.00 2.64 N ATOM 418 CA LYS A 27 -2.420 -0.091 -4.769 1.00 4.14 C ATOM 419 C LYS A 27 -3.158 -0.545 -5.952 1.00 5.58 C ATOM 420 O LYS A 27 -4.135 -1.262 -5.915 1.00 4.11 O ATOM 421 CB LYS A 27 -3.048 1.187 -4.183 1.00 3.97 C ATOM 422 CG LYS A 27 -2.474 1.589 -2.804 1.00 7.45 C ATOM 423 CD LYS A 27 -3.075 2.847 -2.197 1.00 9.02 C ATOM 424 CE LYS A 27 -3.012 4.075 -3.115 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.849 5.172 -2.575 1.00 15.47 N ATOM 0 H LYS A 27 -0.653 0.952 -5.139 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.518 -0.860 -4.003 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.896 2.009 -4.883 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.124 1.042 -4.090 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.624 0.762 -2.110 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.398 1.730 -2.903 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.116 2.652 -1.939 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.554 3.074 -1.267 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.980 4.411 -3.211 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.355 3.807 -4.114 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.535 6.078 -2.977 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.844 5.006 -2.828 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.756 5.202 -1.540 1.00 15.47 H new ATOM 439 N ALA A 28 -2.666 -0.172 -7.146 1.00 6.61 N ATOM 440 CA ALA A 28 -3.070 -0.750 -8.429 1.00 7.74 C ATOM 441 C ALA A 28 -2.835 -2.292 -8.553 1.00 9.17 C ATOM 442 O ALA A 28 -3.735 -2.972 -9.141 1.00 11.45 O ATOM 443 CB ALA A 28 -2.372 -0.015 -9.527 1.00 7.68 C ATOM 0 H ALA A 28 -1.960 0.558 -7.242 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.151 -0.630 -8.504 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.664 -0.436 -10.489 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.649 1.039 -9.493 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.294 -0.111 -9.401 1.00 7.68 H new ATOM 449 N LYS A 29 -1.777 -2.826 -7.965 1.00 8.96 N ATOM 450 CA LYS A 29 -1.535 -4.262 -7.776 1.00 7.90 C ATOM 451 C LYS A 29 -2.527 -4.910 -6.857 1.00 6.92 C ATOM 452 O LYS A 29 -3.063 -5.945 -7.256 1.00 6.87 O ATOM 453 CB LYS A 29 -0.175 -4.463 -7.278 1.00 10.28 C ATOM 454 CG LYS A 29 0.341 -5.869 -7.430 1.00 14.94 C ATOM 455 CD LYS A 29 1.823 -6.060 -6.995 1.00 19.69 C ATOM 456 CE LYS A 29 2.904 -5.176 -7.595 1.00 22.63 C ATOM 457 NZ LYS A 29 3.154 -5.415 -9.071 1.00 24.98 N ATOM 0 H LYS A 29 -1.024 -2.251 -7.586 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.657 -4.743 -8.747 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.496 -3.784 -7.804 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.143 -4.189 -6.223 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.287 -6.539 -6.842 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.239 -6.170 -8.473 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.863 -5.935 -5.913 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.094 -7.094 -7.207 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.626 -4.132 -7.449 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.834 -5.337 -7.050 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.903 -4.775 -9.404 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.450 -6.401 -9.218 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.280 -5.233 -9.605 1.00 24.98 H new ATOM 471 N ILE A 30 -2.890 -4.234 -5.735 1.00 4.57 N ATOM 472 CA ILE A 30 -3.900 -4.673 -4.813 1.00 5.58 C ATOM 473 C ILE A 30 -5.246 -4.744 -5.478 1.00 7.26 C ATOM 474 O ILE A 30 -6.000 -5.724 -5.335 1.00 9.46 O ATOM 475 CB ILE A 30 -3.896 -3.930 -3.568 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.541 -4.136 -2.828 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.082 -4.329 -2.598 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.434 -3.333 -1.557 1.00 2.00 C ATOM 0 H ILE A 30 -2.460 -3.349 -5.465 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.650 -5.691 -4.515 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.034 -2.882 -3.836 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.419 -5.194 -2.594 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.724 -3.860 -3.495 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.021 -3.736 -1.685 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.035 -4.138 -3.091 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.008 -5.388 -2.349 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.468 -3.520 -1.089 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.526 -2.272 -1.788 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.231 -3.626 -0.874 1.00 2.00 H new ATOM 490 N GLN A 31 -5.556 -3.719 -6.283 1.00 7.06 N ATOM 491 CA GLN A 31 -6.743 -3.795 -7.151 1.00 8.67 C ATOM 492 C GLN A 31 -6.728 -5.004 -8.102 1.00 10.90 C ATOM 493 O GLN A 31 -7.755 -5.647 -8.249 1.00 9.63 O ATOM 494 CB GLN A 31 -6.908 -2.512 -7.950 1.00 9.12 C ATOM 495 CG GLN A 31 -8.313 -2.403 -8.635 1.00 10.76 C ATOM 496 CD GLN A 31 -8.473 -1.189 -9.524 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.632 -0.696 -10.229 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.680 -0.637 -9.483 1.00 14.76 N ATOM 0 H GLN A 31 -5.022 -2.853 -6.353 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.595 -3.927 -6.484 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.763 -1.657 -7.290 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.131 -2.462 -8.713 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.487 -3.300 -9.229 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.081 -2.378 -7.862 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.406 -1.041 -8.891 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.881 0.191 -10.043 1.00 14.76 H new ATOM 507 N ASP A 32 -5.635 -5.354 -8.791 1.00 10.93 N ATOM 508 CA ASP A 32 -5.572 -6.453 -9.669 1.00 14.01 C ATOM 509 C ASP A 32 -5.853 -7.781 -8.999 1.00 14.04 C ATOM 510 O ASP A 32 -6.645 -8.614 -9.395 1.00 13.39 O ATOM 511 CB ASP A 32 -4.177 -6.475 -10.365 1.00 18.01 C ATOM 512 CG ASP A 32 -3.987 -7.666 -11.357 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.687 -7.719 -12.372 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.158 -8.568 -11.083 1.00 26.29 O ATOM 0 H ASP A 32 -4.756 -4.840 -8.727 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.363 -6.321 -10.407 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.036 -5.539 -10.905 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.401 -6.523 -9.601 1.00 18.01 H new ATOM 519 N LYS A 33 -5.240 -8.006 -7.827 1.00 14.22 N ATOM 520 CA LYS A 33 -5.436 -9.235 -7.013 1.00 14.00 C ATOM 521 C LYS A 33 -6.648 -9.335 -6.093 1.00 12.37 C ATOM 522 O LYS A 33 -7.280 -10.381 -6.026 1.00 12.17 O ATOM 523 CB LYS A 33 -4.171 -9.435 -6.084 1.00 18.62 C ATOM 524 CG LYS A 33 -2.864 -9.439 -6.927 1.00 24.00 C ATOM 525 CD LYS A 33 -1.685 -9.955 -5.989 1.00 27.61 C ATOM 526 CE LYS A 33 -0.284 -9.839 -6.605 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.144 -10.424 -7.989 1.00 30.06 N ATOM 0 H LYS A 33 -4.589 -7.342 -7.407 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.599 -9.992 -7.780 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.129 -8.637 -5.342 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.260 -10.374 -5.538 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.972 -10.087 -7.797 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.646 -8.438 -7.300 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.706 -9.391 -5.057 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.871 -10.998 -5.734 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.006 -8.786 -6.643 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.429 -10.333 -5.945 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.833 -10.299 -8.321 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.374 -11.438 -7.962 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.795 -9.939 -8.639 1.00 30.06 H new ATOM 541 N GLU A 34 -7.061 -8.249 -5.440 1.00 10.11 N ATOM 542 CA GLU A 34 -8.037 -8.104 -4.370 1.00 10.07 C ATOM 543 C GLU A 34 -9.287 -7.349 -4.783 1.00 9.32 C ATOM 544 O GLU A 34 -10.288 -7.437 -4.130 1.00 11.61 O ATOM 545 CB GLU A 34 -7.385 -7.511 -3.071 1.00 14.77 C ATOM 546 CG GLU A 34 -6.553 -8.492 -2.247 1.00 18.75 C ATOM 547 CD GLU A 34 -7.254 -9.675 -1.669 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.179 -9.527 -0.835 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.981 -10.829 -2.072 1.00 21.95 O ATOM 0 H GLU A 34 -6.667 -7.340 -5.683 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.378 -9.113 -4.136 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.750 -6.672 -3.355 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.177 -7.112 -2.438 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.742 -8.857 -2.877 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.095 -7.939 -1.427 1.00 18.75 H new ATOM 556 N GLY A 35 -9.207 -6.660 -5.952 1.00 7.22 N ATOM 557 CA GLY A 35 -10.400 -5.905 -6.450 1.00 6.29 C ATOM 558 C GLY A 35 -10.949 -4.766 -5.571 1.00 6.93 C ATOM 559 O GLY A 35 -12.132 -4.610 -5.374 1.00 7.41 O ATOM 0 H GLY A 35 -8.378 -6.607 -6.544 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.147 -5.484 -7.423 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.206 -6.621 -6.612 1.00 6.29 H new ATOM 563 N ILE A 36 -10.066 -3.888 -5.058 1.00 5.86 N ATOM 564 CA ILE A 36 -10.467 -2.691 -4.296 1.00 6.07 C ATOM 565 C ILE A 36 -9.938 -1.453 -5.032 1.00 6.36 C ATOM 566 O ILE A 36 -8.778 -1.456 -5.446 1.00 6.18 O ATOM 567 CB ILE A 36 -9.715 -2.593 -2.965 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.280 -4.017 -2.396 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.680 -1.906 -1.946 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.242 -3.939 -1.183 1.00 9.49 C ATOM 0 H ILE A 36 -9.056 -3.989 -5.160 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.548 -2.749 -4.171 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.798 -2.025 -3.119 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.170 -4.553 -2.066 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.837 -4.600 -3.203 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.184 -1.815 -0.980 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.949 -0.915 -2.311 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.582 -2.509 -1.836 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -7.994 -4.947 -0.851 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.335 -3.432 -1.512 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.688 -3.384 -0.358 1.00 9.49 H new ATOM 582 N PRO A 37 -10.747 -0.437 -5.294 1.00 8.65 N ATOM 583 CA PRO A 37 -10.298 0.806 -5.902 1.00 9.18 C ATOM 584 C PRO A 37 -9.136 1.528 -5.237 1.00 9.85 C ATOM 585 O PRO A 37 -9.288 1.853 -4.071 1.00 8.51 O ATOM 586 CB PRO A 37 -11.557 1.636 -5.966 1.00 11.42 C ATOM 587 CG PRO A 37 -12.632 0.641 -6.317 1.00 9.27 C ATOM 588 CD PRO A 37 -12.190 -0.518 -5.429 1.00 8.33 C ATOM 0 HA PRO A 37 -9.846 0.603 -6.873 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.761 2.125 -5.014 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.479 2.422 -6.718 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.632 0.999 -6.073 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.635 0.382 -7.376 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.671 -0.458 -4.453 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.481 -1.472 -5.870 1.00 8.33 H new ATOM 596 N PRO A 38 -7.964 1.898 -5.848 1.00 8.71 N ATOM 597 CA PRO A 38 -6.793 2.561 -5.194 1.00 9.08 C ATOM 598 C PRO A 38 -7.124 3.826 -4.482 1.00 9.28 C ATOM 599 O PRO A 38 -6.408 4.089 -3.569 1.00 6.50 O ATOM 600 CB PRO A 38 -5.796 2.908 -6.324 1.00 10.31 C ATOM 601 CG PRO A 38 -5.989 1.651 -7.254 1.00 10.81 C ATOM 602 CD PRO A 38 -7.487 1.382 -7.141 1.00 12.00 C ATOM 0 HA PRO A 38 -6.401 1.874 -4.444 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.046 3.842 -6.828 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.773 3.005 -5.962 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.690 1.857 -8.282 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.397 0.801 -6.915 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.020 1.865 -7.960 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.686 0.313 -7.217 1.00 12.00 H new ATOM 610 N ASP A 39 -8.178 4.599 -4.841 1.00 11.20 N ATOM 611 CA ASP A 39 -8.630 5.762 -4.093 1.00 14.96 C ATOM 612 C ASP A 39 -9.714 5.453 -3.115 1.00 13.99 C ATOM 613 O ASP A 39 -10.111 6.330 -2.350 1.00 13.75 O ATOM 614 CB ASP A 39 -8.965 6.915 -5.048 1.00 24.16 C ATOM 615 CG ASP A 39 -7.811 7.245 -5.927 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.001 8.106 -5.425 1.00 35.55 O ATOM 617 OD2 ASP A 39 -7.661 6.707 -7.044 1.00 34.22 O ATOM 0 H ASP A 39 -8.736 4.415 -5.675 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.803 6.094 -3.465 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.825 6.644 -5.661 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.249 7.796 -4.472 1.00 24.16 H new ATOM 622 N GLN A 40 -10.070 4.159 -2.988 1.00 11.60 N ATOM 623 CA GLN A 40 -10.699 3.655 -1.792 1.00 10.76 C ATOM 624 C GLN A 40 -9.661 3.108 -0.841 1.00 8.01 C ATOM 625 O GLN A 40 -9.980 2.738 0.241 1.00 8.96 O ATOM 626 CB GLN A 40 -11.744 2.607 -2.147 1.00 11.14 C ATOM 627 CG GLN A 40 -12.810 2.485 -1.025 1.00 14.85 C ATOM 628 CD GLN A 40 -13.995 1.682 -1.625 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.799 0.771 -2.414 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.232 1.859 -1.108 1.00 18.16 N ATOM 0 H GLN A 40 -9.924 3.456 -3.713 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.209 4.475 -1.286 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.228 2.874 -3.086 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.260 1.643 -2.301 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.399 1.976 -0.153 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.138 3.470 -0.693 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.405 2.617 -0.448 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.992 1.234 -1.378 1.00 18.16 H new ATOM 639 N GLN A 41 -8.384 2.939 -1.291 1.00 6.52 N ATOM 640 CA GLN A 41 -7.298 2.358 -0.599 1.00 3.87 C ATOM 641 C GLN A 41 -6.322 3.408 -0.040 1.00 4.79 C ATOM 642 O GLN A 41 -6.077 4.431 -0.700 1.00 6.34 O ATOM 643 CB GLN A 41 -6.481 1.456 -1.479 1.00 4.20 C ATOM 644 CG GLN A 41 -7.122 0.137 -1.984 1.00 3.20 C ATOM 645 CD GLN A 41 -6.091 -0.660 -2.803 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.006 -0.943 -2.283 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.385 -1.004 -4.062 1.00 7.13 N ATOM 0 H GLN A 41 -8.113 3.245 -2.226 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.764 1.797 0.211 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.176 2.032 -2.353 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.573 1.196 -0.935 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.467 -0.458 -1.138 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.996 0.357 -2.597 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.290 -0.755 -4.461 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.704 -1.516 -4.623 1.00 7.13 H new ATOM 656 N ARG A 42 -5.870 3.245 1.228 1.00 5.73 N ATOM 657 CA ARG A 42 -4.885 4.032 1.843 1.00 6.97 C ATOM 658 C ARG A 42 -3.851 3.061 2.380 1.00 7.15 C ATOM 659 O ARG A 42 -4.323 2.117 2.980 1.00 7.33 O ATOM 660 CB ARG A 42 -5.498 4.881 2.939 1.00 13.23 C ATOM 661 CG ARG A 42 -6.201 6.102 2.260 1.00 21.27 C ATOM 662 CD ARG A 42 -6.321 7.189 3.313 1.00 26.14 C ATOM 663 NE ARG A 42 -6.800 8.445 2.623 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.892 9.131 2.975 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.772 8.695 3.967 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.217 10.238 2.329 1.00 36.39 N ATOM 0 H ARG A 42 -6.229 2.513 1.841 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.422 4.731 1.147 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.216 4.299 3.517 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.730 5.220 3.634 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.622 6.454 1.407 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.184 5.820 1.883 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.021 6.890 4.093 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.359 7.361 3.797 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.253 8.793 1.835 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.594 7.819 4.457 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.593 9.253 4.202 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.634 10.570 1.561 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.051 10.760 2.599 1.00 36.39 H new ATOM 680 N LEU A 43 -2.588 3.311 2.180 1.00 4.65 N ATOM 681 CA LEU A 43 -1.502 2.561 2.794 1.00 3.51 C ATOM 682 C LEU A 43 -0.794 3.291 3.888 1.00 5.56 C ATOM 683 O LEU A 43 -0.329 4.431 3.700 1.00 4.19 O ATOM 684 CB LEU A 43 -0.575 1.936 1.741 1.00 3.74 C ATOM 685 CG LEU A 43 -1.239 1.069 0.700 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.244 0.531 -0.304 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.864 -0.123 1.315 1.00 6.41 C ATOM 0 H LEU A 43 -2.265 4.062 1.570 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.966 1.726 3.319 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.045 2.740 1.230 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.176 1.338 2.257 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.977 1.710 0.217 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.764 -0.088 -1.035 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.244 1.362 -0.813 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.505 -0.069 0.212 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.334 -0.728 0.540 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.101 -0.713 1.823 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.618 0.193 2.036 1.00 6.41 H new ATOM 699 N ILE A 44 -0.623 2.747 5.114 1.00 4.58 N ATOM 700 CA ILE A 44 -0.090 3.376 6.269 1.00 5.55 C ATOM 701 C ILE A 44 1.122 2.496 6.864 1.00 5.46 C ATOM 702 O ILE A 44 1.014 1.256 6.859 1.00 6.04 O ATOM 703 CB ILE A 44 -1.246 3.591 7.272 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.209 4.714 6.753 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.802 3.911 8.695 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.621 4.607 7.359 1.00 13.90 C ATOM 0 H ILE A 44 -0.886 1.779 5.300 1.00 4.58 H new ATOM 0 HA ILE A 44 0.336 4.351 6.035 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.763 2.633 7.329 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.787 5.690 6.994 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.278 4.656 5.667 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.679 4.046 9.328 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.198 3.090 9.081 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.211 4.827 8.694 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.247 5.408 6.966 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.058 3.643 7.096 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.559 4.694 8.444 1.00 13.90 H new ATOM 718 N PHE A 45 2.236 3.127 7.212 1.00 6.75 N ATOM 719 CA PHE A 45 3.367 2.414 7.759 1.00 4.70 C ATOM 720 C PHE A 45 4.170 3.427 8.585 1.00 6.34 C ATOM 721 O PHE A 45 4.070 4.649 8.310 1.00 5.45 O ATOM 722 CB PHE A 45 4.288 1.908 6.595 1.00 5.51 C ATOM 723 CG PHE A 45 5.601 1.266 7.012 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.645 0.168 7.944 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.738 1.803 6.637 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.845 -0.420 8.258 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.011 1.264 6.937 1.00 6.64 C ATOM 728 CZ PHE A 45 8.061 0.135 7.796 1.00 6.84 C ATOM 0 H PHE A 45 2.374 4.134 7.122 1.00 6.75 H new ATOM 0 HA PHE A 45 3.032 1.565 8.354 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.726 1.186 6.002 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.511 2.752 5.942 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.733 -0.193 8.396 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.699 2.716 6.062 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.861 -1.314 8.863 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.912 1.696 6.527 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.008 -0.291 8.091 1.00 6.84 H new ATOM 738 N ALA A 46 4.869 2.957 9.622 1.00 6.53 N ATOM 739 CA ALA A 46 5.528 3.816 10.608 1.00 7.15 C ATOM 740 C ALA A 46 4.732 4.939 11.239 1.00 9.00 C ATOM 741 O ALA A 46 5.275 6.063 11.372 1.00 11.15 O ATOM 742 CB ALA A 46 6.944 4.145 10.080 1.00 8.99 C ATOM 0 H ALA A 46 4.994 1.961 9.802 1.00 6.53 H new ATOM 0 HA ALA A 46 5.621 3.247 11.533 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.460 4.785 10.796 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.507 3.221 9.948 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.865 4.661 9.123 1.00 8.99 H new ATOM 748 N GLY A 47 3.358 4.704 11.490 1.00 9.35 N ATOM 749 CA GLY A 47 2.419 5.796 11.933 1.00 11.68 C ATOM 750 C GLY A 47 2.217 6.910 10.966 1.00 11.14 C ATOM 751 O GLY A 47 1.673 7.980 11.267 1.00 13.93 O ATOM 0 H GLY A 47 2.915 3.791 11.389 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.449 5.349 12.151 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.794 6.215 12.867 1.00 11.68 H new ATOM 755 N LYS A 48 2.658 6.628 9.700 1.00 10.47 N ATOM 756 CA LYS A 48 2.564 7.705 8.681 1.00 8.82 C ATOM 757 C LYS A 48 1.696 7.310 7.517 1.00 7.68 C ATOM 758 O LYS A 48 1.839 6.233 6.939 1.00 6.47 O ATOM 759 CB LYS A 48 3.949 7.984 8.157 1.00 9.74 C ATOM 760 CG LYS A 48 4.915 8.632 9.189 1.00 14.14 C ATOM 761 CD LYS A 48 6.086 9.293 8.519 1.00 16.32 C ATOM 762 CE LYS A 48 7.229 9.779 9.495 1.00 20.04 C ATOM 763 NZ LYS A 48 8.070 10.704 8.756 1.00 23.92 N ATOM 0 H LYS A 48 3.049 5.740 9.385 1.00 10.47 H new ATOM 0 HA LYS A 48 2.121 8.580 9.156 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.386 7.048 7.808 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.870 8.641 7.291 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.373 9.368 9.782 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.274 7.869 9.879 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.515 8.595 7.801 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.724 10.151 7.952 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.803 10.266 10.372 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.814 8.932 9.853 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.836 11.045 9.372 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.478 10.219 7.931 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.499 11.512 8.435 1.00 23.92 H new ATOM 777 N GLN A 49 0.769 8.175 7.028 1.00 8.89 N ATOM 778 CA GLN A 49 0.110 7.960 5.750 1.00 7.18 C ATOM 779 C GLN A 49 1.055 8.098 4.554 1.00 8.23 C ATOM 780 O GLN A 49 1.707 9.139 4.391 1.00 9.70 O ATOM 781 CB GLN A 49 -1.195 8.765 5.626 1.00 11.67 C ATOM 782 CG GLN A 49 -2.179 8.246 4.597 1.00 15.82 C ATOM 783 CD GLN A 49 -3.502 8.813 5.075 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.216 8.139 5.834 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.942 9.999 4.498 1.00 20.67 N ATOM 0 H GLN A 49 0.474 9.022 7.513 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.196 6.914 5.727 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.686 8.782 6.599 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.945 9.796 5.378 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.932 8.590 3.593 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.194 7.157 4.566 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.325 10.525 3.879 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.882 10.343 4.694 1.00 20.67 H new ATOM 794 N LEU A 50 1.093 7.055 3.664 1.00 6.51 N ATOM 795 CA LEU A 50 1.909 7.036 2.489 1.00 7.41 C ATOM 796 C LEU A 50 1.095 7.589 1.380 1.00 8.27 C ATOM 797 O LEU A 50 0.139 6.964 0.903 1.00 8.34 O ATOM 798 CB LEU A 50 2.418 5.608 2.152 1.00 7.13 C ATOM 799 CG LEU A 50 2.881 4.826 3.387 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.287 3.388 2.999 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.056 5.505 4.058 1.00 9.11 C ATOM 0 H LEU A 50 0.534 6.210 3.781 1.00 6.51 H new ATOM 0 HA LEU A 50 2.803 7.638 2.651 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.622 5.053 1.656 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.244 5.681 1.445 1.00 7.13 H new ATOM 0 HG LEU A 50 2.044 4.795 4.084 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.613 2.849 3.889 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.433 2.876 2.557 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.103 3.423 2.277 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.361 4.927 4.930 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.888 5.570 3.357 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.766 6.508 4.371 1.00 9.11 H new ATOM 813 N GLU A 51 1.378 8.867 0.942 1.00 9.43 N ATOM 814 CA GLU A 51 0.762 9.538 -0.144 1.00 11.90 C ATOM 815 C GLU A 51 0.938 8.897 -1.518 1.00 11.49 C ATOM 816 O GLU A 51 1.923 8.253 -1.758 1.00 9.88 O ATOM 817 CB GLU A 51 1.268 10.990 -0.214 1.00 16.56 C ATOM 818 CG GLU A 51 1.173 11.889 1.063 1.00 26.06 C ATOM 819 CD GLU A 51 1.846 13.251 0.978 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.579 13.967 -0.052 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.604 13.642 1.859 1.00 32.13 O ATOM 0 H GLU A 51 2.087 9.442 1.397 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.304 9.477 0.074 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.314 10.959 -0.518 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.719 11.492 -1.011 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.119 12.042 1.297 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.609 11.343 1.899 1.00 26.06 H new ATOM 828 N ASP A 52 -0.059 9.000 -2.421 1.00 12.71 N ATOM 829 CA ASP A 52 -0.140 8.253 -3.637 1.00 16.56 C ATOM 830 C ASP A 52 1.024 8.410 -4.706 1.00 15.83 C ATOM 831 O ASP A 52 1.486 7.402 -5.218 1.00 17.21 O ATOM 832 CB ASP A 52 -1.422 8.633 -4.361 1.00 21.05 C ATOM 833 CG ASP A 52 -2.662 8.368 -3.569 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.970 9.177 -2.637 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.333 7.410 -3.896 1.00 25.82 O ATOM 0 H ASP A 52 -0.846 9.637 -2.294 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.077 7.224 -3.284 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.384 9.692 -4.616 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.476 8.081 -5.299 1.00 21.05 H new ATOM 840 N GLY A 53 1.496 9.666 -4.966 1.00 15.00 N ATOM 841 CA GLY A 53 2.518 9.982 -5.962 1.00 11.77 C ATOM 842 C GLY A 53 3.918 9.808 -5.492 1.00 11.10 C ATOM 843 O GLY A 53 4.929 10.137 -6.111 1.00 11.25 O ATOM 0 H GLY A 53 1.158 10.490 -4.469 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.361 9.350 -6.836 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.383 11.014 -6.286 1.00 11.77 H new ATOM 847 N ARG A 54 4.093 9.288 -4.187 1.00 8.53 N ATOM 848 CA ARG A 54 5.379 9.002 -3.560 1.00 9.05 C ATOM 849 C ARG A 54 5.799 7.589 -3.801 1.00 8.96 C ATOM 850 O ARG A 54 4.963 6.732 -4.165 1.00 11.60 O ATOM 851 CB ARG A 54 5.254 9.234 -2.018 1.00 7.97 C ATOM 852 CG ARG A 54 5.192 10.741 -1.606 1.00 9.62 C ATOM 853 CD ARG A 54 6.532 11.416 -1.856 1.00 12.20 C ATOM 854 NE ARG A 54 6.272 12.870 -1.552 1.00 18.23 N ATOM 855 CZ ARG A 54 7.212 13.830 -1.628 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.462 13.441 -1.857 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.895 15.093 -1.561 1.00 23.38 N ATOM 0 H ARG A 54 3.303 9.072 -3.579 1.00 8.53 H new ATOM 0 HA ARG A 54 6.128 9.664 -3.994 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.357 8.732 -1.657 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.103 8.766 -1.520 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.411 11.248 -2.173 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.926 10.826 -0.552 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.311 11.007 -1.212 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.863 11.277 -2.885 1.00 12.20 H new ATOM 0 HE ARG A 54 5.329 13.141 -1.273 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.676 12.450 -1.967 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.208 14.134 -1.923 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.919 15.369 -1.449 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.623 15.805 -1.621 1.00 23.38 H new ATOM 871 N THR A 55 7.117 7.278 -3.617 1.00 9.05 N ATOM 872 CA THR A 55 7.658 5.923 -3.881 1.00 9.03 C ATOM 873 C THR A 55 7.971 5.271 -2.607 1.00 8.15 C ATOM 874 O THR A 55 8.115 5.834 -1.526 1.00 5.91 O ATOM 875 CB THR A 55 8.896 5.785 -4.770 1.00 11.15 C ATOM 876 OG1 THR A 55 9.976 6.590 -4.239 1.00 11.95 O ATOM 877 CG2 THR A 55 8.597 6.217 -6.272 1.00 11.71 C ATOM 0 H THR A 55 7.814 7.947 -3.289 1.00 9.05 H new ATOM 0 HA THR A 55 6.853 5.460 -4.452 1.00 9.03 H new ATOM 0 HB THR A 55 9.184 4.734 -4.774 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.809 6.074 -4.259 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.501 6.104 -6.870 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.809 5.585 -6.682 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.275 7.258 -6.294 1.00 11.71 H new ATOM 885 N LEU A 56 8.108 3.957 -2.706 1.00 6.91 N ATOM 886 CA LEU A 56 8.689 3.191 -1.598 1.00 8.29 C ATOM 887 C LEU A 56 10.078 3.723 -1.160 1.00 8.05 C ATOM 888 O LEU A 56 10.329 3.822 0.030 1.00 10.17 O ATOM 889 CB LEU A 56 8.689 1.705 -1.833 1.00 6.60 C ATOM 890 CG LEU A 56 7.340 0.963 -2.022 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.508 -0.244 -2.941 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.516 0.696 -0.704 1.00 8.64 C ATOM 0 H LEU A 56 7.834 3.404 -3.518 1.00 6.91 H new ATOM 0 HA LEU A 56 8.019 3.355 -0.754 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.294 1.514 -2.719 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.202 1.241 -0.991 1.00 6.60 H new ATOM 0 HG LEU A 56 6.678 1.660 -2.536 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.549 -0.748 -3.058 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.865 0.088 -3.916 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.230 -0.935 -2.506 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.593 0.173 -0.952 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.108 0.085 -0.023 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.277 1.646 -0.225 1.00 8.64 H new ATOM 904 N SER A 57 11.005 4.061 -2.097 1.00 8.92 N ATOM 905 CA SER A 57 12.315 4.612 -1.843 1.00 9.00 C ATOM 906 C SER A 57 12.360 5.907 -1.144 1.00 9.44 C ATOM 907 O SER A 57 13.262 6.094 -0.260 1.00 10.91 O ATOM 908 CB SER A 57 13.255 4.554 -3.071 1.00 10.32 C ATOM 909 OG SER A 57 12.668 5.366 -4.141 1.00 13.59 O ATOM 0 H SER A 57 10.825 3.940 -3.094 1.00 8.92 H new ATOM 0 HA SER A 57 12.719 3.922 -1.102 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.244 4.929 -2.809 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.382 3.524 -3.403 1.00 10.32 H new ATOM 0 HG SER A 57 13.252 5.342 -4.928 1.00 13.59 H new ATOM 915 N ASP A 58 11.408 6.863 -1.427 1.00 9.11 N ATOM 916 CA ASP A 58 11.286 8.140 -0.828 1.00 7.91 C ATOM 917 C ASP A 58 10.980 8.139 0.633 1.00 9.12 C ATOM 918 O ASP A 58 11.627 8.861 1.400 1.00 8.61 O ATOM 919 CB ASP A 58 10.260 9.019 -1.575 1.00 8.41 C ATOM 920 CG ASP A 58 10.654 10.487 -1.441 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.763 10.841 -1.928 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.928 11.222 -0.805 1.00 10.05 O ATOM 0 H ASP A 58 10.687 6.701 -2.129 1.00 9.11 H new ATOM 0 HA ASP A 58 12.285 8.565 -0.920 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.221 8.737 -2.627 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.263 8.860 -1.165 1.00 8.41 H new ATOM 927 N TYR A 59 10.120 7.169 0.975 1.00 7.97 N ATOM 928 CA TYR A 59 9.804 6.871 2.353 1.00 8.45 C ATOM 929 C TYR A 59 10.942 6.018 3.020 1.00 10.98 C ATOM 930 O TYR A 59 10.853 5.771 4.219 1.00 12.95 O ATOM 931 CB TYR A 59 8.485 6.123 2.503 1.00 7.94 C ATOM 932 CG TYR A 59 7.353 7.014 2.372 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.029 7.979 3.340 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.507 7.053 1.236 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.033 8.966 3.087 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.509 7.986 0.999 1.00 6.52 C ATOM 937 CZ TYR A 59 5.215 8.951 2.009 1.00 6.76 C ATOM 938 OH TYR A 59 4.029 9.790 1.867 1.00 7.63 O ATOM 0 H TYR A 59 9.634 6.580 0.299 1.00 7.97 H new ATOM 0 HA TYR A 59 9.714 7.835 2.854 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.422 5.339 1.748 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.452 5.632 3.476 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.542 7.973 4.290 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.652 6.288 0.488 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.925 9.773 3.797 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.964 7.983 0.067 1.00 6.52 H new ATOM 0 HH TYR A 59 4.297 10.690 1.588 1.00 7.63 H new ATOM 948 N ASN A 60 11.896 5.487 2.271 1.00 12.38 N ATOM 949 CA ASN A 60 12.961 4.533 2.702 1.00 13.94 C ATOM 950 C ASN A 60 12.326 3.198 3.240 1.00 14.16 C ATOM 951 O ASN A 60 12.695 2.630 4.272 1.00 14.26 O ATOM 952 CB ASN A 60 13.980 5.081 3.741 1.00 19.23 C ATOM 953 CG ASN A 60 14.561 6.402 3.314 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.173 6.496 2.266 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.473 7.420 4.235 1.00 24.09 N ATOM 0 H ASN A 60 11.971 5.712 1.279 1.00 12.38 H new ATOM 0 HA ASN A 60 13.540 4.354 1.796 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.488 5.196 4.707 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.784 4.358 3.877 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.935 8.311 4.056 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.945 7.284 5.097 1.00 24.09 H new ATOM 962 N ILE A 61 11.332 2.599 2.524 1.00 11.08 N ATOM 963 CA ILE A 61 10.656 1.393 2.972 1.00 11.78 C ATOM 964 C ILE A 61 11.418 0.219 2.434 1.00 13.74 C ATOM 965 O ILE A 61 11.852 0.080 1.288 1.00 14.60 O ATOM 966 CB ILE A 61 9.208 1.405 2.451 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.455 2.545 3.279 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.549 0.061 2.631 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.026 2.853 2.856 1.00 11.42 C ATOM 0 H ILE A 61 10.995 2.953 1.629 1.00 11.08 H new ATOM 0 HA ILE A 61 10.621 1.334 4.060 1.00 11.78 H new ATOM 0 HB ILE A 61 9.172 1.609 1.381 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.446 2.255 4.330 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.039 3.463 3.206 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.527 0.103 2.253 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.109 -0.695 2.081 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.534 -0.198 3.690 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.621 3.642 3.490 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.017 3.182 1.817 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.415 1.956 2.958 1.00 11.42 H new ATOM 981 N GLN A 62 11.674 -0.687 3.368 1.00 13.97 N ATOM 982 CA GLN A 62 12.423 -1.913 3.049 1.00 15.52 C ATOM 983 C GLN A 62 11.599 -3.115 2.618 1.00 13.94 C ATOM 984 O GLN A 62 10.398 -3.318 2.715 1.00 12.15 O ATOM 985 CB GLN A 62 13.345 -2.273 4.223 1.00 19.53 C ATOM 986 CG GLN A 62 14.323 -1.189 4.597 1.00 26.38 C ATOM 987 CD GLN A 62 15.233 -1.750 5.722 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.149 -2.876 6.205 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.142 -0.899 6.184 1.00 32.71 N ATOM 0 H GLN A 62 11.382 -0.606 4.342 1.00 13.97 H new ATOM 0 HA GLN A 62 12.999 -1.667 2.157 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.732 -2.509 5.093 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.900 -3.176 3.970 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.919 -0.895 3.733 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.796 -0.298 4.939 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.214 0.037 5.785 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.768 -1.181 6.938 1.00 32.71 H new ATOM 998 N LYS A 63 12.363 -4.069 2.173 1.00 11.73 N ATOM 999 CA LYS A 63 12.028 -5.463 1.825 1.00 11.97 C ATOM 1000 C LYS A 63 11.631 -6.294 3.099 1.00 10.41 C ATOM 1001 O LYS A 63 12.056 -6.023 4.223 1.00 9.59 O ATOM 1002 CB LYS A 63 13.282 -6.150 1.180 1.00 13.73 C ATOM 1003 CG LYS A 63 14.584 -6.156 2.074 1.00 16.98 C ATOM 1004 CD LYS A 63 15.806 -6.796 1.406 1.00 20.19 C ATOM 1005 CE LYS A 63 17.025 -6.956 2.344 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.151 -7.772 1.849 1.00 25.97 N ATOM 0 H LYS A 63 13.356 -3.891 2.020 1.00 11.73 H new ATOM 0 HA LYS A 63 11.186 -5.439 1.134 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.025 -7.181 0.935 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.509 -5.646 0.241 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.829 -5.129 2.345 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.371 -6.688 3.001 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.525 -7.777 1.022 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.098 -6.189 0.549 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.405 -5.961 2.578 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.677 -7.392 3.280 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.901 -7.801 2.568 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.820 -8.739 1.655 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.526 -7.352 0.974 1.00 25.97 H new ATOM 1020 N GLU A 64 10.746 -7.262 2.926 1.00 10.04 N ATOM 1021 CA GLU A 64 10.160 -8.003 3.999 1.00 10.94 C ATOM 1022 C GLU A 64 9.457 -7.194 5.063 1.00 9.74 C ATOM 1023 O GLU A 64 9.188 -7.684 6.135 1.00 9.42 O ATOM 1024 CB GLU A 64 11.055 -9.192 4.457 1.00 18.31 C ATOM 1025 CG GLU A 64 11.500 -10.293 3.360 1.00 24.16 C ATOM 1026 CD GLU A 64 12.546 -11.315 3.859 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.528 -11.662 5.102 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.393 -11.796 3.058 1.00 31.72 O ATOM 0 H GLU A 64 10.415 -7.552 2.006 1.00 10.04 H new ATOM 0 HA GLU A 64 9.282 -8.494 3.579 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.962 -8.774 4.894 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.528 -9.714 5.255 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.614 -10.833 3.027 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.904 -9.776 2.489 1.00 24.16 H new ATOM 1035 N SER A 65 8.983 -6.017 4.743 1.00 6.85 N ATOM 1036 CA SER A 65 8.314 -5.034 5.634 1.00 6.90 C ATOM 1037 C SER A 65 6.799 -5.137 5.468 1.00 4.72 C ATOM 1038 O SER A 65 6.284 -5.696 4.509 1.00 3.91 O ATOM 1039 CB SER A 65 8.824 -3.559 5.473 1.00 7.28 C ATOM 1040 OG SER A 65 8.493 -2.704 6.569 1.00 10.56 O ATOM 0 H SER A 65 9.047 -5.671 3.786 1.00 6.85 H new ATOM 0 HA SER A 65 8.587 -5.300 6.655 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.907 -3.572 5.350 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.405 -3.139 4.559 1.00 7.28 H new ATOM 0 HG SER A 65 8.512 -1.770 6.273 1.00 10.56 H new ATOM 1046 N THR A 66 6.030 -4.705 6.402 1.00 4.48 N ATOM 1047 CA THR A 66 4.591 -4.865 6.548 1.00 3.80 C ATOM 1048 C THR A 66 3.913 -3.505 6.511 1.00 4.60 C ATOM 1049 O THR A 66 4.162 -2.653 7.361 1.00 5.33 O ATOM 1050 CB THR A 66 4.179 -5.487 7.884 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.578 -6.828 7.942 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.638 -5.481 8.046 1.00 3.40 C ATOM 0 H THR A 66 6.418 -4.169 7.178 1.00 4.48 H new ATOM 0 HA THR A 66 4.292 -5.519 5.729 1.00 3.80 H new ATOM 0 HB THR A 66 4.654 -4.897 8.668 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.309 -7.212 8.803 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.371 -5.928 9.003 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.272 -4.455 8.010 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.185 -6.056 7.238 1.00 3.40 H new ATOM 1060 N LEU A 67 3.043 -3.308 5.561 1.00 4.17 N ATOM 1061 CA LEU A 67 2.179 -2.084 5.484 1.00 3.85 C ATOM 1062 C LEU A 67 0.739 -2.335 5.900 1.00 3.80 C ATOM 1063 O LEU A 67 0.376 -3.494 6.009 1.00 5.54 O ATOM 1064 CB LEU A 67 2.125 -1.484 4.048 1.00 7.18 C ATOM 1065 CG LEU A 67 3.467 -1.560 3.276 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.417 -1.227 1.793 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.593 -0.696 3.930 1.00 11.66 C ATOM 0 H LEU A 67 2.886 -3.970 4.801 1.00 4.17 H new ATOM 0 HA LEU A 67 2.652 -1.390 6.179 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.360 -2.008 3.476 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.815 -0.441 4.114 1.00 7.18 H new ATOM 0 HG LEU A 67 3.698 -2.623 3.352 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.416 -1.316 1.366 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.744 -1.919 1.287 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.056 -0.207 1.661 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.509 -0.789 3.346 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.282 0.349 3.954 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.775 -1.044 4.947 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.055 -1.280 6.216 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.408 -1.526 6.739 1.00 4.17 C ATOM 1081 C HIS A 68 -2.330 -0.958 5.670 1.00 5.32 C ATOM 1082 O HIS A 68 -1.953 0.004 5.022 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.736 -0.803 8.106 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.872 -1.067 9.173 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.397 -0.529 9.211 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.089 -1.697 10.344 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.949 -0.994 10.343 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.131 -1.697 11.059 1.00 16.30 N ATOM 0 H HIS A 68 0.208 -0.299 6.122 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.521 -2.590 6.945 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.743 0.273 7.930 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.746 -1.083 8.407 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.826 0.091 8.524 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.024 -2.124 10.676 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.973 -0.801 10.628 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.510 -1.533 5.543 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.395 -1.047 4.508 1.00 3.97 C ATOM 1098 C LEU A 69 -5.689 -0.645 5.199 1.00 5.07 C ATOM 1099 O LEU A 69 -6.290 -1.456 5.877 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.673 -2.221 3.497 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.765 -1.970 2.410 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.267 -0.896 1.406 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.062 -3.281 1.642 1.00 9.96 C ATOM 0 H LEU A 69 -3.865 -2.300 6.114 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.967 -0.205 3.964 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.738 -2.462 2.990 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.961 -3.102 4.070 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.675 -1.623 2.900 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.032 -0.723 0.649 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.067 0.034 1.938 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.352 -1.243 0.925 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.825 -3.095 0.886 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.151 -3.634 1.159 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.419 -4.038 2.340 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.110 0.629 4.948 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.344 1.115 5.524 1.00 6.26 C ATOM 1117 C VAL A 70 -8.286 1.478 4.356 1.00 9.22 C ATOM 1118 O VAL A 70 -7.842 2.145 3.448 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.121 2.315 6.393 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.424 3.066 6.716 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.269 1.990 7.643 1.00 8.54 C ATOM 0 H VAL A 70 -5.611 1.301 4.365 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.777 0.342 6.159 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.525 3.015 5.807 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.201 3.926 7.348 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.887 3.407 5.790 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.109 2.398 7.239 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.137 2.893 8.238 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.775 1.232 8.241 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.294 1.615 7.331 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.538 1.113 4.322 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.373 1.287 3.128 1.00 16.06 C ATOM 1133 C LEU A 71 -11.403 2.325 3.391 1.00 18.09 C ATOM 1134 O LEU A 71 -11.872 2.488 4.522 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.151 0.074 2.598 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.291 -1.128 2.162 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.160 -2.271 1.560 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.231 -0.593 1.139 1.00 19.57 C ATOM 0 H LEU A 71 -10.023 0.686 5.111 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.631 1.534 2.369 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.843 -0.258 3.372 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.754 0.394 1.748 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.790 -1.569 3.024 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.517 -3.100 1.265 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.876 -2.615 2.306 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.696 -1.899 0.687 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.600 -1.416 0.805 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.742 -0.156 0.281 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.613 0.166 1.619 1.00 19.57 H new