USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0.14 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -154:sc= 1.13 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 110:sc= 0.958 USER MOD Single : A 1 MET CE :methyl -138:sc= -0.109 (180deg=-0.372) USER MOD Single : A 1 MET N :NH3+ -161:sc= 2.37 (180deg=2.02) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ -137:sc= 1.06 (180deg=-0.519!) USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.0451 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0281 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.71 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 2.7 (180deg=2.37) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 1.04 (180deg=0.64) USER MOD Single : A 31 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 41 GLN : amide:sc= 1.1 K(o=1.1,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.892 K(o=0.89,f=-8.8!) USER MOD Single : A 55 THR OG1 : rot -27:sc= 1.23 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.765 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 69:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.530 -7.300 -5.011 1.00 9.67 N ATOM 2 CA MET A 1 11.388 -7.169 -3.542 1.00 10.38 C ATOM 3 C MET A 1 10.085 -7.717 -2.816 1.00 9.62 C ATOM 4 O MET A 1 9.012 -7.324 -3.237 1.00 9.62 O ATOM 5 CB MET A 1 11.563 -5.663 -3.160 1.00 13.77 C ATOM 6 CG MET A 1 11.492 -5.314 -1.623 1.00 16.29 C ATOM 7 SD MET A 1 12.052 -3.587 -1.285 1.00 17.17 S ATOM 8 CE MET A 1 10.417 -2.896 -1.103 1.00 16.11 C ATOM 0 H1 MET A 1 12.531 -7.198 -5.273 1.00 9.67 H new ATOM 0 H2 MET A 1 11.187 -8.235 -5.311 1.00 9.67 H new ATOM 0 H3 MET A 1 10.971 -6.559 -5.481 1.00 9.67 H new ATOM 0 HA MET A 1 12.164 -7.841 -3.174 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.525 -5.323 -3.543 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.794 -5.088 -3.676 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.469 -5.440 -1.269 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.112 -6.013 -1.062 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.372 -1.931 -1.607 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.685 -3.571 -1.546 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.194 -2.763 -0.044 1.00 16.11 H new ATOM 20 N GLN A 2 10.217 -8.529 -1.816 1.00 9.27 N ATOM 21 CA GLN A 2 9.049 -9.052 -1.121 1.00 9.07 C ATOM 22 C GLN A 2 8.583 -8.162 -0.005 1.00 8.72 C ATOM 23 O GLN A 2 9.410 -7.688 0.794 1.00 8.22 O ATOM 24 CB GLN A 2 9.288 -10.519 -0.545 1.00 14.46 C ATOM 25 CG GLN A 2 8.010 -11.292 -0.123 1.00 17.01 C ATOM 26 CD GLN A 2 8.424 -12.706 0.230 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.558 -13.078 0.169 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.457 -13.551 0.572 1.00 19.49 N ATOM 0 H GLN A 2 11.113 -8.853 -1.451 1.00 9.27 H new ATOM 0 HA GLN A 2 8.270 -9.090 -1.883 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.812 -11.105 -1.300 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.949 -10.447 0.319 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.534 -10.808 0.730 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.281 -11.298 -0.933 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.491 -13.227 0.622 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.681 -14.523 0.784 1.00 19.49 H new ATOM 37 N ILE A 3 7.271 -7.913 0.093 1.00 5.87 N ATOM 38 CA ILE A 3 6.719 -7.183 1.221 1.00 5.07 C ATOM 39 C ILE A 3 5.313 -7.732 1.387 1.00 4.01 C ATOM 40 O ILE A 3 4.764 -8.504 0.566 1.00 4.61 O ATOM 41 CB ILE A 3 6.671 -5.656 0.958 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.659 -5.278 -0.221 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.079 -5.034 0.940 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.532 -3.741 -0.418 1.00 10.83 C ATOM 0 H ILE A 3 6.581 -8.209 -0.597 1.00 5.87 H new ATOM 0 HA ILE A 3 7.333 -7.312 2.112 1.00 5.07 H new ATOM 0 HB ILE A 3 6.212 -5.151 1.808 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.000 -5.734 -1.150 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.677 -5.697 -0.002 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.001 -3.963 0.753 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.562 -5.200 1.903 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.672 -5.498 0.152 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.834 -3.535 -1.229 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.164 -3.285 0.502 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.508 -3.324 -0.664 1.00 10.83 H new ATOM 56 N PHE A 4 4.659 -7.409 2.532 1.00 4.55 N ATOM 57 CA PHE A 4 3.470 -8.003 2.982 1.00 4.68 C ATOM 58 C PHE A 4 2.511 -6.803 3.217 1.00 5.30 C ATOM 59 O PHE A 4 2.911 -5.805 3.820 1.00 5.58 O ATOM 60 CB PHE A 4 3.623 -8.803 4.345 1.00 4.83 C ATOM 61 CG PHE A 4 4.694 -9.870 4.172 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.394 -11.043 3.440 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.987 -9.581 4.596 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.396 -11.985 3.209 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.036 -10.551 4.355 1.00 10.61 C ATOM 66 CZ PHE A 4 6.749 -11.677 3.596 1.00 8.90 C ATOM 0 H PHE A 4 5.001 -6.686 3.165 1.00 4.55 H new ATOM 0 HA PHE A 4 3.124 -8.735 2.253 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.895 -8.123 5.153 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.674 -9.263 4.621 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.396 -11.208 3.063 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.205 -8.649 5.096 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.161 -12.932 2.746 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.026 -10.400 4.760 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.552 -12.332 3.291 1.00 8.90 H new ATOM 76 N VAL A 5 1.256 -6.909 2.766 1.00 4.44 N ATOM 77 CA VAL A 5 0.129 -6.075 3.043 1.00 3.87 C ATOM 78 C VAL A 5 -0.851 -6.757 3.984 1.00 4.93 C ATOM 79 O VAL A 5 -1.345 -7.845 3.732 1.00 6.84 O ATOM 80 CB VAL A 5 -0.575 -5.571 1.785 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.939 -4.912 2.099 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.448 -4.538 1.220 1.00 9.13 C ATOM 0 H VAL A 5 1.001 -7.667 2.133 1.00 4.44 H new ATOM 0 HA VAL A 5 0.527 -5.193 3.544 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.823 -6.369 1.085 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.400 -4.570 1.172 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.592 -5.639 2.582 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.788 -4.062 2.764 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.054 -4.099 0.303 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.615 -3.752 1.956 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.391 -5.040 1.005 1.00 9.13 H new ATOM 92 N LYS A 6 -1.175 -6.087 5.108 1.00 6.04 N ATOM 93 CA LYS A 6 -2.155 -6.635 6.034 1.00 6.12 C ATOM 94 C LYS A 6 -3.248 -5.629 6.269 1.00 6.57 C ATOM 95 O LYS A 6 -2.984 -4.475 6.672 1.00 5.76 O ATOM 96 CB LYS A 6 -1.494 -6.777 7.384 1.00 7.45 C ATOM 97 CG LYS A 6 -2.263 -7.641 8.405 1.00 11.12 C ATOM 98 CD LYS A 6 -2.186 -9.113 8.150 1.00 14.54 C ATOM 99 CE LYS A 6 -2.408 -9.922 9.359 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.949 -11.348 9.203 1.00 20.55 N ATOM 0 H LYS A 6 -0.777 -5.189 5.382 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.534 -7.572 5.626 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.503 -7.207 7.242 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.352 -5.783 7.808 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.874 -7.436 9.402 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.310 -7.338 8.403 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.927 -9.384 7.398 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.207 -9.353 7.735 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.881 -9.466 10.197 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.469 -9.912 9.607 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.491 -11.959 9.847 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.102 -11.657 8.222 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.937 -11.414 9.433 1.00 20.55 H new ATOM 114 N THR A 7 -4.539 -6.002 6.147 1.00 7.41 N ATOM 115 CA THR A 7 -5.713 -5.107 6.319 1.00 7.48 C ATOM 116 C THR A 7 -6.072 -4.956 7.789 1.00 8.75 C ATOM 117 O THR A 7 -5.729 -5.780 8.603 1.00 8.58 O ATOM 118 CB THR A 7 -6.895 -5.543 5.497 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.523 -6.670 5.978 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.519 -5.736 4.101 1.00 9.17 C ATOM 0 H THR A 7 -4.806 -6.960 5.920 1.00 7.41 H new ATOM 0 HA THR A 7 -5.426 -4.125 5.942 1.00 7.48 H new ATOM 0 HB THR A 7 -7.617 -4.730 5.572 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.281 -6.895 5.398 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.392 -6.051 3.529 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.137 -4.800 3.694 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.746 -6.502 4.035 1.00 9.17 H new ATOM 128 N LEU A 8 -6.885 -3.887 8.119 1.00 9.84 N ATOM 129 CA LEU A 8 -7.546 -3.685 9.384 1.00 14.15 C ATOM 130 C LEU A 8 -8.353 -4.892 9.966 1.00 17.37 C ATOM 131 O LEU A 8 -8.597 -5.080 11.195 1.00 17.01 O ATOM 132 CB LEU A 8 -8.462 -2.378 9.400 1.00 16.63 C ATOM 133 CG LEU A 8 -8.822 -1.782 10.755 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.589 -1.357 11.595 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.916 -0.733 10.645 1.00 18.59 C ATOM 0 H LEU A 8 -7.079 -3.136 7.456 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.694 -3.560 10.053 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -7.957 -1.607 8.818 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.390 -2.613 8.880 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.259 -2.587 11.346 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.922 -0.942 12.546 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -6.958 -2.226 11.780 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.019 -0.604 11.050 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.140 -0.336 11.635 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.580 0.076 9.997 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.814 -1.186 10.224 1.00 18.59 H new ATOM 147 N THR A 9 -8.792 -5.785 9.064 1.00 18.33 N ATOM 148 CA THR A 9 -9.519 -6.977 9.407 1.00 19.24 C ATOM 149 C THR A 9 -8.731 -8.225 9.172 1.00 19.48 C ATOM 150 O THR A 9 -9.275 -9.326 9.282 1.00 23.14 O ATOM 151 CB THR A 9 -10.859 -7.195 8.779 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.851 -7.013 7.369 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.942 -6.305 9.515 1.00 19.70 C ATOM 0 H THR A 9 -8.639 -5.679 8.061 1.00 18.33 H new ATOM 0 HA THR A 9 -9.697 -6.780 10.464 1.00 19.24 H new ATOM 0 HB THR A 9 -11.131 -8.242 8.913 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.751 -7.170 7.014 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.918 -6.465 9.056 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.986 -6.583 10.568 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.669 -5.253 9.428 1.00 19.70 H new ATOM 161 N GLY A 10 -7.439 -8.086 8.820 1.00 19.43 N ATOM 162 CA GLY A 10 -6.515 -9.239 8.882 1.00 18.74 C ATOM 163 C GLY A 10 -6.300 -9.922 7.564 1.00 17.62 C ATOM 164 O GLY A 10 -5.506 -10.909 7.513 1.00 19.74 O ATOM 0 H GLY A 10 -7.018 -7.214 8.498 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.552 -8.900 9.265 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.904 -9.965 9.596 1.00 18.74 H new ATOM 168 N LYS A 11 -6.848 -9.549 6.403 1.00 13.56 N ATOM 169 CA LYS A 11 -6.402 -10.179 5.173 1.00 11.91 C ATOM 170 C LYS A 11 -4.931 -9.893 4.879 1.00 10.18 C ATOM 171 O LYS A 11 -4.478 -8.762 5.104 1.00 9.10 O ATOM 172 CB LYS A 11 -7.327 -9.782 3.913 1.00 13.43 C ATOM 173 CG LYS A 11 -6.958 -10.389 2.567 1.00 16.69 C ATOM 174 CD LYS A 11 -7.263 -11.860 2.576 1.00 17.92 C ATOM 175 CE LYS A 11 -7.558 -12.580 1.237 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.601 -11.894 0.451 1.00 21.93 N ATOM 0 H LYS A 11 -7.574 -8.840 6.296 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.504 -11.253 5.330 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.354 -10.067 4.143 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.313 -8.697 3.811 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.515 -9.897 1.770 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.900 -10.228 2.362 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.418 -12.367 3.042 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.124 -12.012 3.227 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.642 -12.638 0.649 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.873 -13.604 1.439 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.256 -12.598 0.054 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.126 -11.241 1.067 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.157 -11.359 -0.323 1.00 21.93 H new ATOM 190 N THR A 12 -4.167 -10.852 4.457 1.00 9.63 N ATOM 191 CA THR A 12 -2.773 -10.808 4.309 1.00 9.85 C ATOM 192 C THR A 12 -2.472 -11.006 2.853 1.00 11.66 C ATOM 193 O THR A 12 -2.879 -12.008 2.335 1.00 12.33 O ATOM 194 CB THR A 12 -2.108 -11.896 5.150 1.00 10.85 C ATOM 195 OG1 THR A 12 -2.579 -11.736 6.476 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.622 -11.556 5.111 1.00 9.63 C ATOM 0 H THR A 12 -4.552 -11.758 4.188 1.00 9.63 H new ATOM 0 HA THR A 12 -2.382 -9.851 4.653 1.00 9.85 H new ATOM 0 HB THR A 12 -2.308 -12.909 4.802 1.00 10.85 H new ATOM 0 HG1 THR A 12 -3.175 -12.480 6.703 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.065 -12.290 5.693 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.272 -11.571 4.079 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.465 -10.564 5.533 1.00 9.63 H new ATOM 204 N ILE A 13 -1.643 -10.172 2.212 1.00 10.42 N ATOM 205 CA ILE A 13 -1.212 -10.257 0.879 1.00 11.84 C ATOM 206 C ILE A 13 0.282 -10.325 0.824 1.00 10.55 C ATOM 207 O ILE A 13 0.963 -9.530 1.459 1.00 11.92 O ATOM 208 CB ILE A 13 -1.691 -8.998 0.117 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.105 -8.435 0.509 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.609 -9.345 -1.402 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.297 -9.325 0.065 1.00 16.46 C ATOM 0 H ILE A 13 -1.243 -9.363 2.686 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.626 -11.156 0.423 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.037 -8.173 0.399 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.145 -8.309 1.591 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.223 -7.445 0.068 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.937 -8.487 -1.989 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.580 -9.592 -1.664 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.252 -10.199 -1.615 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.233 -8.861 0.376 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.288 -9.431 -1.020 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.208 -10.309 0.526 1.00 16.46 H new ATOM 223 N THR A 14 0.776 -11.291 0.066 1.00 9.39 N ATOM 224 CA THR A 14 2.235 -11.204 -0.339 1.00 9.63 C ATOM 225 C THR A 14 2.379 -10.560 -1.652 1.00 11.20 C ATOM 226 O THR A 14 1.623 -10.864 -2.598 1.00 11.63 O ATOM 227 CB THR A 14 2.764 -12.630 -0.376 1.00 10.38 C ATOM 228 OG1 THR A 14 2.826 -13.139 0.955 1.00 16.30 O ATOM 229 CG2 THR A 14 4.204 -12.683 -0.955 1.00 11.66 C ATOM 0 H THR A 14 0.262 -12.102 -0.278 1.00 9.39 H new ATOM 0 HA THR A 14 2.798 -10.597 0.370 1.00 9.63 H new ATOM 0 HB THR A 14 2.094 -13.217 -1.004 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.394 -12.557 1.502 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.553 -13.715 -0.968 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.203 -12.288 -1.971 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.868 -12.083 -0.333 1.00 11.66 H new ATOM 237 N LEU A 15 3.239 -9.535 -1.803 1.00 8.29 N ATOM 238 CA LEU A 15 3.454 -8.764 -2.990 1.00 9.03 C ATOM 239 C LEU A 15 4.876 -8.864 -3.380 1.00 8.59 C ATOM 240 O LEU A 15 5.770 -9.018 -2.573 1.00 7.79 O ATOM 241 CB LEU A 15 3.142 -7.264 -2.778 1.00 11.08 C ATOM 242 CG LEU A 15 1.709 -6.869 -2.444 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.588 -5.327 -2.256 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.859 -7.311 -3.640 1.00 15.27 C ATOM 0 H LEU A 15 3.830 -9.222 -1.033 1.00 8.29 H new ATOM 0 HA LEU A 15 2.788 -9.161 -3.756 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.784 -6.900 -1.976 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.432 -6.732 -3.684 1.00 11.08 H new ATOM 0 HG LEU A 15 1.383 -7.336 -1.515 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.556 -5.069 -2.018 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.239 -5.008 -1.442 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.885 -4.824 -3.176 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.185 -7.054 -3.459 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.207 -6.805 -4.541 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.949 -8.389 -3.772 1.00 15.27 H new ATOM 256 N GLU A 16 5.123 -8.792 -4.730 1.00 11.04 N ATOM 257 CA GLU A 16 6.428 -8.572 -5.266 1.00 11.50 C ATOM 258 C GLU A 16 6.490 -7.239 -5.906 1.00 10.13 C ATOM 259 O GLU A 16 5.896 -6.956 -6.974 1.00 9.83 O ATOM 260 CB GLU A 16 6.729 -9.616 -6.364 1.00 17.22 C ATOM 261 CG GLU A 16 8.101 -9.572 -7.046 1.00 23.33 C ATOM 262 CD GLU A 16 9.252 -9.722 -6.067 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.069 -10.415 -5.013 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.396 -9.298 -6.381 1.00 28.90 O ATOM 0 H GLU A 16 4.397 -8.890 -5.439 1.00 11.04 H new ATOM 0 HA GLU A 16 7.147 -8.647 -4.450 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.607 -10.606 -5.925 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.968 -9.514 -7.138 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.157 -10.367 -7.790 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.206 -8.628 -7.580 1.00 23.33 H new ATOM 271 N VAL A 17 7.271 -6.322 -5.333 1.00 8.99 N ATOM 272 CA VAL A 17 7.294 -4.919 -5.763 1.00 8.85 C ATOM 273 C VAL A 17 8.752 -4.678 -5.994 1.00 8.04 C ATOM 274 O VAL A 17 9.667 -5.513 -5.991 1.00 8.99 O ATOM 275 CB VAL A 17 6.710 -3.979 -4.738 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.161 -4.167 -4.715 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.474 -4.226 -3.372 1.00 10.54 C ATOM 0 H VAL A 17 7.904 -6.528 -4.560 1.00 8.99 H new ATOM 0 HA VAL A 17 6.678 -4.734 -6.643 1.00 8.85 H new ATOM 0 HB VAL A 17 6.855 -2.924 -4.969 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.724 -3.493 -3.978 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.752 -3.942 -5.700 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.923 -5.197 -4.451 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.075 -3.560 -2.607 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.336 -5.261 -3.060 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.537 -4.027 -3.508 1.00 10.54 H new ATOM 287 N GLU A 18 9.037 -3.372 -6.173 1.00 7.29 N ATOM 288 CA GLU A 18 10.344 -2.879 -6.346 1.00 7.08 C ATOM 289 C GLU A 18 10.488 -1.487 -5.791 1.00 6.45 C ATOM 290 O GLU A 18 9.516 -0.725 -5.678 1.00 5.28 O ATOM 291 CB GLU A 18 10.743 -2.828 -7.847 1.00 10.28 C ATOM 292 CG GLU A 18 10.742 -4.232 -8.520 1.00 12.65 C ATOM 293 CD GLU A 18 11.294 -4.267 -9.918 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.983 -3.360 -10.732 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.076 -5.190 -10.231 1.00 14.33 O ATOM 0 H GLU A 18 8.321 -2.645 -6.196 1.00 7.29 H new ATOM 0 HA GLU A 18 10.997 -3.567 -5.809 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.052 -2.174 -8.380 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.735 -2.387 -7.940 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.321 -4.916 -7.900 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.719 -4.608 -8.540 1.00 12.65 H new ATOM 302 N PRO A 19 11.646 -0.976 -5.506 1.00 7.24 N ATOM 303 CA PRO A 19 11.737 0.207 -4.647 1.00 7.07 C ATOM 304 C PRO A 19 11.517 1.438 -5.430 1.00 6.65 C ATOM 305 O PRO A 19 11.341 2.478 -4.820 1.00 6.37 O ATOM 306 CB PRO A 19 13.165 0.228 -4.025 1.00 7.61 C ATOM 307 CG PRO A 19 13.712 -1.163 -4.343 1.00 8.16 C ATOM 308 CD PRO A 19 12.915 -1.782 -5.452 1.00 7.49 C ATOM 0 HA PRO A 19 10.974 0.163 -3.870 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.782 1.012 -4.463 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.133 0.411 -2.951 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.761 -1.094 -4.632 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.667 -1.793 -3.455 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.453 -1.737 -6.399 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.708 -2.833 -5.252 1.00 7.49 H new ATOM 316 N SER A 20 11.505 1.418 -6.790 1.00 6.80 N ATOM 317 CA SER A 20 11.148 2.506 -7.660 1.00 6.28 C ATOM 318 C SER A 20 9.788 2.455 -8.152 1.00 8.45 C ATOM 319 O SER A 20 9.349 3.253 -8.996 1.00 7.26 O ATOM 320 CB SER A 20 12.104 2.386 -8.864 1.00 8.57 C ATOM 321 OG SER A 20 12.077 1.099 -9.479 1.00 11.13 O ATOM 0 H SER A 20 11.764 0.580 -7.311 1.00 6.80 H new ATOM 0 HA SER A 20 11.225 3.441 -7.105 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.841 3.141 -9.605 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.120 2.603 -8.535 1.00 8.57 H new ATOM 0 HG SER A 20 12.700 1.085 -10.235 1.00 11.13 H new ATOM 327 N ASP A 21 9.048 1.501 -7.714 1.00 7.50 N ATOM 328 CA ASP A 21 7.605 1.508 -7.983 1.00 7.70 C ATOM 329 C ASP A 21 6.874 2.660 -7.335 1.00 7.08 C ATOM 330 O ASP A 21 7.062 2.971 -6.142 1.00 8.11 O ATOM 331 CB ASP A 21 6.903 0.250 -7.574 1.00 11.00 C ATOM 332 CG ASP A 21 7.367 -0.916 -8.425 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.006 -0.739 -9.524 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.088 -2.055 -7.978 1.00 14.36 O ATOM 0 H ASP A 21 9.385 0.705 -7.173 1.00 7.50 H new ATOM 0 HA ASP A 21 7.568 1.609 -9.068 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.100 0.042 -6.522 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.825 0.377 -7.677 1.00 11.00 H new ATOM 339 N THR A 22 5.908 3.367 -7.986 1.00 5.37 N ATOM 340 CA THR A 22 5.014 4.322 -7.343 1.00 6.01 C ATOM 341 C THR A 22 4.103 3.609 -6.359 1.00 8.01 C ATOM 342 O THR A 22 3.739 2.456 -6.487 1.00 8.11 O ATOM 343 CB THR A 22 4.234 5.226 -8.235 1.00 8.92 C ATOM 344 OG1 THR A 22 3.379 4.387 -8.966 1.00 10.22 O ATOM 345 CG2 THR A 22 5.135 5.966 -9.234 1.00 9.65 C ATOM 0 H THR A 22 5.741 3.274 -8.988 1.00 5.37 H new ATOM 0 HA THR A 22 5.687 5.006 -6.826 1.00 6.01 H new ATOM 0 HB THR A 22 3.714 5.976 -7.640 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.833 4.927 -9.575 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.525 6.613 -9.864 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.862 6.569 -8.690 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.658 5.241 -9.858 1.00 9.65 H new ATOM 353 N ILE A 23 3.805 4.301 -5.277 1.00 8.32 N ATOM 354 CA ILE A 23 2.832 3.904 -4.272 1.00 9.92 C ATOM 355 C ILE A 23 1.472 3.719 -5.080 1.00 10.01 C ATOM 356 O ILE A 23 0.714 2.766 -4.888 1.00 8.71 O ATOM 357 CB ILE A 23 2.677 4.963 -3.170 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.918 5.284 -2.340 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.534 4.494 -2.263 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.453 4.116 -1.504 1.00 12.30 C ATOM 0 H ILE A 23 4.252 5.193 -5.063 1.00 8.32 H new ATOM 0 HA ILE A 23 3.139 2.995 -3.755 1.00 9.92 H new ATOM 0 HB ILE A 23 2.475 5.909 -3.673 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.708 5.624 -3.010 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.687 6.114 -1.672 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.386 5.217 -1.461 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.618 4.407 -2.847 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.784 3.524 -1.834 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.334 4.439 -0.950 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.684 3.787 -0.805 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.721 3.290 -2.163 1.00 12.30 H new ATOM 372 N GLU A 24 1.176 4.607 -6.045 1.00 9.54 N ATOM 373 CA GLU A 24 0.032 4.369 -7.013 1.00 11.81 C ATOM 374 C GLU A 24 0.057 3.087 -7.823 1.00 11.14 C ATOM 375 O GLU A 24 -0.917 2.354 -7.937 1.00 10.62 O ATOM 376 CB GLU A 24 0.013 5.648 -7.968 1.00 19.24 C ATOM 377 CG GLU A 24 -0.978 5.659 -9.132 1.00 27.76 C ATOM 378 CD GLU A 24 -0.935 6.919 -9.967 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.133 7.512 -10.199 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.983 7.398 -10.441 1.00 34.80 O ATOM 0 H GLU A 24 1.682 5.480 -6.194 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.874 4.234 -6.422 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.188 6.523 -7.350 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.014 5.772 -8.381 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.776 4.803 -9.775 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.986 5.531 -8.738 1.00 27.76 H new ATOM 387 N ASN A 25 1.215 2.694 -8.368 1.00 9.43 N ATOM 388 CA ASN A 25 1.477 1.342 -8.940 1.00 10.96 C ATOM 389 C ASN A 25 1.270 0.253 -7.908 1.00 9.68 C ATOM 390 O ASN A 25 0.667 -0.764 -8.214 1.00 9.33 O ATOM 391 CB ASN A 25 2.952 1.368 -9.495 1.00 16.78 C ATOM 392 CG ASN A 25 3.195 0.163 -10.343 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.838 -0.771 -9.899 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.612 0.231 -11.587 1.00 24.70 N ATOM 0 H ASN A 25 2.023 3.313 -8.431 1.00 9.43 H new ATOM 0 HA ASN A 25 0.776 1.112 -9.742 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.115 2.274 -10.079 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.661 1.391 -8.668 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.700 -0.552 -12.235 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.092 1.064 -11.862 1.00 24.70 H new ATOM 401 N VAL A 26 1.672 0.403 -6.663 1.00 6.52 N ATOM 402 CA VAL A 26 1.385 -0.591 -5.622 1.00 5.53 C ATOM 403 C VAL A 26 -0.074 -0.667 -5.292 1.00 4.42 C ATOM 404 O VAL A 26 -0.580 -1.765 -5.068 1.00 3.40 O ATOM 405 CB VAL A 26 2.139 -0.195 -4.306 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.716 -1.024 -3.054 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.684 -0.445 -4.553 1.00 8.12 C ATOM 0 H VAL A 26 2.204 1.209 -6.335 1.00 6.52 H new ATOM 0 HA VAL A 26 1.712 -1.557 -6.007 1.00 5.53 H new ATOM 0 HB VAL A 26 1.893 0.845 -4.093 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.284 -0.688 -2.186 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.651 -0.884 -2.867 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.917 -2.080 -3.232 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.243 -0.180 -3.656 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.850 -1.497 -4.786 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.023 0.169 -5.387 1.00 8.12 H new ATOM 417 N LYS A 27 -0.803 0.474 -5.301 1.00 2.64 N ATOM 418 CA LYS A 27 -2.254 0.464 -5.272 1.00 4.14 C ATOM 419 C LYS A 27 -2.905 -0.218 -6.446 1.00 5.58 C ATOM 420 O LYS A 27 -3.923 -0.878 -6.243 1.00 4.11 O ATOM 421 CB LYS A 27 -2.870 1.830 -5.096 1.00 3.97 C ATOM 422 CG LYS A 27 -2.441 2.551 -3.842 1.00 7.45 C ATOM 423 CD LYS A 27 -3.071 3.920 -3.671 1.00 9.02 C ATOM 424 CE LYS A 27 -3.329 4.279 -2.189 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.285 5.410 -2.198 1.00 15.47 N ATOM 0 H LYS A 27 -0.392 1.407 -5.328 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.461 -0.133 -4.384 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.614 2.444 -5.959 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.955 1.727 -5.088 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.692 1.936 -2.978 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.357 2.660 -3.851 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.419 4.673 -4.115 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.014 3.952 -4.218 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.740 3.427 -1.648 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.401 4.557 -1.689 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.639 5.573 -1.234 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.806 6.267 -2.541 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.083 5.185 -2.826 1.00 15.47 H new ATOM 439 N ALA A 28 -2.315 -0.133 -7.625 1.00 6.61 N ATOM 440 CA ALA A 28 -2.872 -0.852 -8.755 1.00 7.74 C ATOM 441 C ALA A 28 -2.705 -2.366 -8.550 1.00 9.17 C ATOM 442 O ALA A 28 -3.581 -3.151 -8.896 1.00 11.45 O ATOM 443 CB ALA A 28 -2.395 -0.417 -10.161 1.00 7.68 C ATOM 0 H ALA A 28 -1.475 0.410 -7.822 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.927 -0.578 -8.760 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.884 -1.031 -10.917 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.649 0.630 -10.324 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.315 -0.544 -10.234 1.00 7.68 H new ATOM 449 N LYS A 29 -1.634 -2.741 -7.887 1.00 8.96 N ATOM 450 CA LYS A 29 -1.281 -4.140 -7.565 1.00 7.90 C ATOM 451 C LYS A 29 -2.063 -4.696 -6.397 1.00 6.92 C ATOM 452 O LYS A 29 -2.524 -5.832 -6.540 1.00 6.87 O ATOM 453 CB LYS A 29 0.211 -4.205 -7.165 1.00 10.28 C ATOM 454 CG LYS A 29 0.885 -5.602 -7.088 1.00 14.94 C ATOM 455 CD LYS A 29 2.436 -5.627 -7.229 1.00 19.69 C ATOM 456 CE LYS A 29 2.811 -5.588 -8.685 1.00 22.63 C ATOM 457 NZ LYS A 29 4.277 -5.536 -8.849 1.00 24.98 N ATOM 0 H LYS A 29 -0.949 -2.071 -7.537 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.509 -4.727 -8.455 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.774 -3.601 -7.877 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.316 -3.729 -6.190 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.621 -6.058 -6.134 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.460 -6.231 -7.870 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.872 -4.775 -6.708 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.839 -6.526 -6.763 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.415 -6.469 -9.190 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.357 -4.718 -9.159 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.536 -5.925 -9.778 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.599 -4.549 -8.785 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.730 -6.097 -8.100 1.00 24.98 H new ATOM 471 N ILE A 30 -2.401 -3.876 -5.387 1.00 4.57 N ATOM 472 CA ILE A 30 -3.452 -4.148 -4.415 1.00 5.58 C ATOM 473 C ILE A 30 -4.843 -4.296 -5.002 1.00 7.26 C ATOM 474 O ILE A 30 -5.601 -5.212 -4.605 1.00 9.46 O ATOM 475 CB ILE A 30 -3.405 -3.139 -3.237 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.064 -3.135 -2.494 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.542 -3.327 -2.158 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.694 -1.922 -1.678 1.00 2.00 C ATOM 0 H ILE A 30 -1.933 -2.984 -5.228 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.230 -5.139 -4.020 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.559 -2.187 -3.745 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.052 -3.998 -1.828 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.277 -3.290 -3.232 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.428 -2.578 -1.375 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.516 -3.210 -2.632 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.468 -4.323 -1.721 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.718 -2.077 -1.217 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.654 -1.046 -2.326 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.442 -1.765 -0.901 1.00 2.00 H new ATOM 490 N GLN A 31 -5.242 -3.454 -5.967 1.00 7.06 N ATOM 491 CA GLN A 31 -6.471 -3.593 -6.664 1.00 8.67 C ATOM 492 C GLN A 31 -6.569 -4.879 -7.502 1.00 10.90 C ATOM 493 O GLN A 31 -7.662 -5.496 -7.585 1.00 9.63 O ATOM 494 CB GLN A 31 -6.637 -2.354 -7.579 1.00 9.12 C ATOM 495 CG GLN A 31 -7.873 -2.490 -8.529 1.00 10.76 C ATOM 496 CD GLN A 31 -7.930 -1.281 -9.395 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.909 -0.851 -9.912 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.172 -0.810 -9.700 1.00 14.76 N ATOM 0 H GLN A 31 -4.689 -2.652 -6.269 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.268 -3.664 -5.924 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.749 -1.461 -6.964 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.734 -2.220 -8.175 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.787 -3.390 -9.138 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.790 -2.585 -7.948 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.993 -1.203 -9.240 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.280 -0.065 -10.388 1.00 14.76 H new ATOM 507 N ASP A 32 -5.407 -5.327 -8.136 1.00 10.93 N ATOM 508 CA ASP A 32 -5.227 -6.580 -8.777 1.00 14.01 C ATOM 509 C ASP A 32 -5.413 -7.729 -7.778 1.00 14.04 C ATOM 510 O ASP A 32 -6.110 -8.729 -7.982 1.00 13.39 O ATOM 511 CB ASP A 32 -3.912 -6.598 -9.545 1.00 18.01 C ATOM 512 CG ASP A 32 -3.856 -7.782 -10.456 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.940 -8.261 -10.992 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.729 -8.307 -10.633 1.00 25.17 O ATOM 0 H ASP A 32 -4.568 -4.749 -8.180 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.000 -6.734 -9.530 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.809 -5.680 -10.124 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.076 -6.629 -8.846 1.00 18.01 H new ATOM 519 N LYS A 33 -4.881 -7.667 -6.549 1.00 14.22 N ATOM 520 CA LYS A 33 -5.108 -8.705 -5.556 1.00 14.00 C ATOM 521 C LYS A 33 -6.521 -8.692 -4.946 1.00 12.37 C ATOM 522 O LYS A 33 -7.151 -9.749 -4.774 1.00 12.17 O ATOM 523 CB LYS A 33 -4.046 -8.542 -4.422 1.00 18.62 C ATOM 524 CG LYS A 33 -2.669 -8.866 -4.924 1.00 24.00 C ATOM 525 CD LYS A 33 -2.399 -10.369 -5.110 1.00 27.61 C ATOM 526 CE LYS A 33 -0.950 -10.639 -5.578 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.762 -12.104 -5.821 1.00 30.06 N ATOM 0 H LYS A 33 -4.289 -6.902 -6.226 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.013 -9.664 -6.066 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.068 -7.520 -4.043 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.296 -9.197 -3.588 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.515 -8.361 -5.877 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.936 -8.461 -4.226 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.580 -10.890 -4.170 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.099 -10.776 -5.840 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.742 -10.080 -6.490 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.244 -10.292 -4.824 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.213 -12.281 -6.135 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.943 -12.628 -4.941 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.426 -12.422 -6.556 1.00 30.06 H new ATOM 541 N GLU A 34 -7.067 -7.511 -4.574 1.00 10.11 N ATOM 542 CA GLU A 34 -8.248 -7.454 -3.746 1.00 10.07 C ATOM 543 C GLU A 34 -9.464 -6.731 -4.331 1.00 9.32 C ATOM 544 O GLU A 34 -10.513 -6.707 -3.749 1.00 11.61 O ATOM 545 CB GLU A 34 -7.881 -6.825 -2.358 1.00 14.77 C ATOM 546 CG GLU A 34 -7.092 -7.795 -1.383 1.00 18.75 C ATOM 547 CD GLU A 34 -7.869 -9.055 -0.967 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.152 -9.062 -0.792 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.261 -10.142 -0.971 1.00 25.19 O ATOM 0 H GLU A 34 -6.695 -6.600 -4.843 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.569 -8.492 -3.659 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.279 -5.932 -2.526 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.799 -6.503 -1.865 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.164 -8.100 -1.867 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.816 -7.241 -0.486 1.00 18.75 H new ATOM 556 N GLY A 35 -9.338 -6.128 -5.513 1.00 7.22 N ATOM 557 CA GLY A 35 -10.439 -5.437 -6.157 1.00 6.29 C ATOM 558 C GLY A 35 -10.795 -3.983 -5.820 1.00 6.93 C ATOM 559 O GLY A 35 -11.640 -3.350 -6.461 1.00 7.41 O ATOM 0 H GLY A 35 -8.468 -6.109 -6.045 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.249 -5.473 -7.230 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.334 -6.031 -5.972 1.00 6.29 H new ATOM 563 N ILE A 36 -10.100 -3.446 -4.828 1.00 5.86 N ATOM 564 CA ILE A 36 -10.336 -2.140 -4.208 1.00 6.07 C ATOM 565 C ILE A 36 -9.943 -0.974 -5.109 1.00 6.36 C ATOM 566 O ILE A 36 -8.755 -0.953 -5.396 1.00 6.18 O ATOM 567 CB ILE A 36 -9.492 -2.035 -2.942 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.695 -3.266 -1.994 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.836 -0.737 -2.085 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.697 -3.144 -0.903 1.00 9.49 C ATOM 0 H ILE A 36 -9.310 -3.934 -4.406 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.405 -2.076 -4.006 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.463 -1.990 -3.300 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.707 -3.279 -1.591 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.557 -4.200 -2.540 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.207 -0.711 -1.195 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.653 0.154 -2.685 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.884 -0.765 -1.788 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.803 -3.984 -0.217 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.693 -3.146 -1.327 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.861 -2.212 -0.363 1.00 9.49 H new ATOM 582 N PRO A 37 -10.689 -0.056 -5.620 1.00 8.65 N ATOM 583 CA PRO A 37 -10.166 1.168 -6.274 1.00 9.18 C ATOM 584 C PRO A 37 -9.052 1.916 -5.555 1.00 9.85 C ATOM 585 O PRO A 37 -9.054 1.968 -4.331 1.00 8.51 O ATOM 586 CB PRO A 37 -11.475 1.966 -6.368 1.00 11.42 C ATOM 587 CG PRO A 37 -12.631 0.986 -6.345 1.00 9.27 C ATOM 588 CD PRO A 37 -12.120 -0.085 -5.428 1.00 8.33 C ATOM 0 HA PRO A 37 -9.646 0.964 -7.210 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.554 2.666 -5.536 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.495 2.556 -7.284 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.545 1.444 -5.967 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.856 0.598 -7.339 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.388 0.117 -4.391 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.537 -1.060 -5.681 1.00 8.33 H new ATOM 596 N PRO A 38 -7.994 2.421 -6.209 1.00 8.71 N ATOM 597 CA PRO A 38 -6.880 3.076 -5.518 1.00 9.08 C ATOM 598 C PRO A 38 -7.212 4.244 -4.644 1.00 9.28 C ATOM 599 O PRO A 38 -6.474 4.542 -3.729 1.00 6.50 O ATOM 600 CB PRO A 38 -6.020 3.418 -6.658 1.00 10.31 C ATOM 601 CG PRO A 38 -6.108 2.255 -7.621 1.00 10.81 C ATOM 602 CD PRO A 38 -7.621 1.935 -7.479 1.00 12.00 C ATOM 0 HA PRO A 38 -6.429 2.432 -4.763 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.352 4.341 -7.132 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.991 3.578 -6.335 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.829 2.529 -8.639 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.472 1.419 -7.331 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.199 2.416 -8.268 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.804 0.863 -7.558 1.00 12.00 H new ATOM 610 N ASP A 39 -8.322 4.972 -4.937 1.00 11.20 N ATOM 611 CA ASP A 39 -8.974 6.016 -4.210 1.00 14.96 C ATOM 612 C ASP A 39 -9.487 5.533 -2.840 1.00 13.99 C ATOM 613 O ASP A 39 -9.476 6.248 -1.835 1.00 13.75 O ATOM 614 CB ASP A 39 -10.193 6.584 -5.097 1.00 24.16 C ATOM 615 CG ASP A 39 -10.690 7.884 -4.517 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.095 8.952 -4.826 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.735 7.892 -3.815 1.00 34.22 O ATOM 0 H ASP A 39 -8.820 4.791 -5.809 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.249 6.807 -4.016 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.865 6.737 -6.125 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.003 5.856 -5.126 1.00 24.16 H new ATOM 622 N GLN A 40 -9.872 4.253 -2.832 1.00 11.60 N ATOM 623 CA GLN A 40 -10.511 3.584 -1.648 1.00 10.76 C ATOM 624 C GLN A 40 -9.483 2.722 -0.851 1.00 8.01 C ATOM 625 O GLN A 40 -9.777 1.905 0.025 1.00 8.96 O ATOM 626 CB GLN A 40 -11.694 2.715 -2.130 1.00 11.14 C ATOM 627 CG GLN A 40 -12.738 3.660 -2.778 1.00 14.85 C ATOM 628 CD GLN A 40 -14.089 2.988 -3.209 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.377 1.794 -3.193 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.900 3.897 -3.828 1.00 18.16 N ATOM 0 H GLN A 40 -9.758 3.635 -3.635 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.877 4.355 -0.970 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.354 1.970 -2.849 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.136 2.172 -1.294 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.961 4.462 -2.075 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.287 4.122 -3.656 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.648 4.885 -3.833 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.758 3.587 -4.285 1.00 18.16 H new ATOM 639 N GLN A 41 -8.207 3.011 -1.115 1.00 6.52 N ATOM 640 CA GLN A 41 -7.123 2.403 -0.368 1.00 3.87 C ATOM 641 C GLN A 41 -6.397 3.437 0.529 1.00 4.79 C ATOM 642 O GLN A 41 -5.756 4.397 0.028 1.00 6.34 O ATOM 643 CB GLN A 41 -6.010 1.764 -1.282 1.00 4.20 C ATOM 644 CG GLN A 41 -6.592 0.673 -2.128 1.00 3.20 C ATOM 645 CD GLN A 41 -5.639 0.029 -3.080 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.436 0.032 -2.731 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.015 -0.478 -4.239 1.00 7.13 N ATOM 0 H GLN A 41 -7.907 3.662 -1.841 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.611 1.626 0.221 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.569 2.531 -1.919 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.207 1.364 -0.663 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.000 -0.096 -1.471 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.427 1.082 -2.696 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.000 -0.470 -4.504 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.321 -0.878 -4.870 1.00 7.13 H new ATOM 656 N ARG A 42 -6.592 3.337 1.831 1.00 5.73 N ATOM 657 CA ARG A 42 -5.835 4.101 2.857 1.00 6.97 C ATOM 658 C ARG A 42 -4.596 3.327 3.181 1.00 7.15 C ATOM 659 O ARG A 42 -4.747 2.304 3.873 1.00 7.33 O ATOM 660 CB ARG A 42 -6.583 4.599 4.107 1.00 13.23 C ATOM 661 CG ARG A 42 -5.647 5.258 5.160 1.00 21.27 C ATOM 662 CD ARG A 42 -6.468 5.856 6.259 1.00 26.14 C ATOM 663 NE ARG A 42 -6.762 7.282 5.992 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.935 7.819 6.246 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.055 7.154 6.571 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.017 9.149 6.117 1.00 36.39 N ATOM 0 H ARG A 42 -7.292 2.714 2.233 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.608 5.063 2.397 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.343 5.320 3.805 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.105 3.760 4.568 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.962 4.515 5.568 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.037 6.028 4.688 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.401 5.303 6.362 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.936 5.763 7.206 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.028 7.869 5.597 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.042 6.136 6.639 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.919 7.666 6.750 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.196 9.686 5.836 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.900 9.626 6.300 1.00 36.39 H new ATOM 680 N LEU A 43 -3.403 3.650 2.659 1.00 4.65 N ATOM 681 CA LEU A 43 -2.225 2.924 3.015 1.00 3.51 C ATOM 682 C LEU A 43 -1.440 3.606 4.127 1.00 5.56 C ATOM 683 O LEU A 43 -0.936 4.702 3.990 1.00 4.19 O ATOM 684 CB LEU A 43 -1.317 2.787 1.830 1.00 3.74 C ATOM 685 CG LEU A 43 -1.804 2.058 0.626 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.803 2.046 -0.524 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.155 0.614 0.958 1.00 6.41 C ATOM 0 H LEU A 43 -3.253 4.409 1.994 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.560 1.947 3.364 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.035 3.791 1.514 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.407 2.292 2.169 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.690 2.607 0.306 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.224 1.498 -1.367 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.586 3.070 -0.828 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.118 1.561 -0.200 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.507 0.109 0.058 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.271 0.103 1.338 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.939 0.595 1.715 1.00 6.41 H new ATOM 699 N ILE A 44 -1.287 2.870 5.212 1.00 4.58 N ATOM 700 CA ILE A 44 -0.556 3.369 6.404 1.00 5.55 C ATOM 701 C ILE A 44 0.764 2.539 6.475 1.00 5.46 C ATOM 702 O ILE A 44 0.756 1.315 6.280 1.00 6.04 O ATOM 703 CB ILE A 44 -1.253 3.215 7.719 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.663 3.810 7.762 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.369 3.677 8.912 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.719 5.285 7.389 1.00 13.90 C ATOM 0 H ILE A 44 -1.652 1.923 5.311 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.431 4.443 6.270 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.407 2.142 7.833 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.305 3.249 7.083 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.071 3.683 8.765 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.918 3.546 9.844 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.543 3.081 8.941 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.111 4.729 8.788 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.750 5.635 7.442 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.105 5.859 8.082 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.343 5.418 6.375 1.00 13.90 H new ATOM 718 N PHE A 45 1.898 3.164 6.689 1.00 6.75 N ATOM 719 CA PHE A 45 3.143 2.484 7.033 1.00 4.70 C ATOM 720 C PHE A 45 3.719 3.314 8.155 1.00 6.34 C ATOM 721 O PHE A 45 3.748 4.570 8.089 1.00 5.45 O ATOM 722 CB PHE A 45 4.142 2.333 5.839 1.00 5.51 C ATOM 723 CG PHE A 45 5.384 1.664 6.148 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.413 0.291 6.436 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.653 2.340 6.065 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.580 -0.318 6.680 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.845 1.635 6.268 1.00 6.64 C ATOM 728 CZ PHE A 45 7.849 0.297 6.633 1.00 6.84 C ATOM 0 H PHE A 45 1.992 4.178 6.630 1.00 6.75 H new ATOM 0 HA PHE A 45 2.955 1.450 7.321 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.644 1.786 5.039 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.371 3.326 5.452 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.493 -0.275 6.461 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.685 3.397 5.845 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.547 -1.367 6.934 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.787 2.147 6.137 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.759 -0.236 6.865 1.00 6.84 H new ATOM 738 N ALA A 46 4.167 2.610 9.179 1.00 6.53 N ATOM 739 CA ALA A 46 4.873 3.108 10.344 1.00 7.15 C ATOM 740 C ALA A 46 4.255 4.353 11.021 1.00 9.00 C ATOM 741 O ALA A 46 4.821 5.469 11.091 1.00 11.15 O ATOM 742 CB ALA A 46 6.372 3.441 9.945 1.00 8.99 C ATOM 0 H ALA A 46 4.036 1.599 9.220 1.00 6.53 H new ATOM 0 HA ALA A 46 4.803 2.307 11.080 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.906 3.816 10.818 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.861 2.537 9.581 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.380 4.199 9.162 1.00 8.99 H new ATOM 748 N GLY A 47 2.986 4.238 11.485 1.00 9.35 N ATOM 749 CA GLY A 47 2.159 5.378 12.011 1.00 11.68 C ATOM 750 C GLY A 47 1.651 6.460 11.118 1.00 11.14 C ATOM 751 O GLY A 47 0.896 7.360 11.584 1.00 13.93 O ATOM 0 H GLY A 47 2.493 3.345 11.509 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.289 4.938 12.498 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.749 5.863 12.789 1.00 11.68 H new ATOM 755 N LYS A 48 1.930 6.356 9.794 1.00 10.47 N ATOM 756 CA LYS A 48 1.777 7.413 8.840 1.00 8.82 C ATOM 757 C LYS A 48 1.206 7.011 7.462 1.00 7.68 C ATOM 758 O LYS A 48 1.646 6.052 6.825 1.00 6.47 O ATOM 759 CB LYS A 48 3.174 7.950 8.565 1.00 9.74 C ATOM 760 CG LYS A 48 3.272 9.307 7.809 1.00 14.14 C ATOM 761 CD LYS A 48 4.750 9.608 7.507 1.00 16.32 C ATOM 762 CE LYS A 48 4.927 10.778 6.530 1.00 20.04 C ATOM 763 NZ LYS A 48 6.385 11.177 6.452 1.00 23.92 N ATOM 0 H LYS A 48 2.278 5.493 9.377 1.00 10.47 H new ATOM 0 HA LYS A 48 1.067 8.113 9.281 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.691 8.055 9.519 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.718 7.201 7.989 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.700 9.264 6.882 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.841 10.106 8.412 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.268 9.836 8.439 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.220 8.717 7.090 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.567 10.494 5.541 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.327 11.628 6.856 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.493 11.970 5.788 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.716 11.467 7.394 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.949 10.368 6.120 1.00 23.92 H new ATOM 777 N GLN A 49 0.283 7.796 6.937 1.00 8.89 N ATOM 778 CA GLN A 49 -0.363 7.579 5.660 1.00 7.18 C ATOM 779 C GLN A 49 0.598 7.783 4.475 1.00 8.23 C ATOM 780 O GLN A 49 1.361 8.762 4.450 1.00 9.70 O ATOM 781 CB GLN A 49 -1.550 8.541 5.579 1.00 11.67 C ATOM 782 CG GLN A 49 -2.523 8.078 4.472 1.00 15.82 C ATOM 783 CD GLN A 49 -3.763 8.901 4.313 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.883 8.482 4.629 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.578 10.177 3.970 1.00 20.67 N ATOM 0 H GLN A 49 -0.049 8.636 7.410 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.698 6.544 5.592 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.067 8.578 6.538 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.198 9.551 5.368 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.988 8.073 3.522 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.816 7.049 4.678 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.648 10.506 3.712 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.367 10.823 3.966 1.00 20.67 H new ATOM 794 N LEU A 50 0.624 6.814 3.540 1.00 6.51 N ATOM 795 CA LEU A 50 1.439 6.884 2.296 1.00 7.41 C ATOM 796 C LEU A 50 0.666 7.600 1.203 1.00 8.27 C ATOM 797 O LEU A 50 -0.521 7.383 1.080 1.00 8.34 O ATOM 798 CB LEU A 50 1.782 5.487 1.761 1.00 7.13 C ATOM 799 CG LEU A 50 2.595 4.584 2.744 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.625 3.064 2.483 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.011 5.013 2.756 1.00 9.11 C ATOM 0 H LEU A 50 0.081 5.954 3.620 1.00 6.51 H new ATOM 0 HA LEU A 50 2.354 7.418 2.552 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.855 4.975 1.504 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.351 5.598 0.838 1.00 7.13 H new ATOM 0 HG LEU A 50 2.054 4.723 3.680 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.228 2.575 3.248 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.609 2.669 2.514 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.059 2.872 1.502 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.576 4.382 3.442 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.427 4.922 1.753 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.074 6.051 3.082 1.00 9.11 H new ATOM 813 N GLU A 51 1.367 8.521 0.496 1.00 9.43 N ATOM 814 CA GLU A 51 0.792 9.230 -0.620 1.00 11.90 C ATOM 815 C GLU A 51 1.089 8.646 -2.027 1.00 11.49 C ATOM 816 O GLU A 51 2.272 8.344 -2.256 1.00 9.88 O ATOM 817 CB GLU A 51 1.326 10.715 -0.731 1.00 16.56 C ATOM 818 CG GLU A 51 1.070 11.748 0.374 1.00 26.06 C ATOM 819 CD GLU A 51 1.193 13.179 0.043 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.384 13.441 -1.219 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.115 14.022 0.977 1.00 32.13 O ATOM 0 H GLU A 51 2.334 8.774 0.699 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.270 9.149 -0.388 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.406 10.653 -0.862 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.917 11.130 -1.652 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.063 11.582 0.756 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.760 11.537 1.191 1.00 26.06 H new ATOM 828 N ASP A 52 0.062 8.590 -2.915 1.00 12.71 N ATOM 829 CA ASP A 52 -0.034 7.867 -4.205 1.00 16.56 C ATOM 830 C ASP A 52 1.081 8.274 -5.237 1.00 15.83 C ATOM 831 O ASP A 52 1.740 7.388 -5.827 1.00 17.21 O ATOM 832 CB ASP A 52 -1.362 8.165 -4.869 1.00 21.05 C ATOM 833 CG ASP A 52 -2.559 8.047 -3.905 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.734 9.019 -3.100 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.350 7.100 -3.997 1.00 28.37 O ATOM 0 H ASP A 52 -0.801 9.100 -2.725 1.00 12.71 H new ATOM 0 HA ASP A 52 0.081 6.812 -3.955 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.336 9.172 -5.285 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.506 7.479 -5.704 1.00 21.05 H new ATOM 840 N GLY A 53 1.286 9.615 -5.494 1.00 15.00 N ATOM 841 CA GLY A 53 2.234 10.071 -6.491 1.00 11.77 C ATOM 842 C GLY A 53 3.649 10.273 -6.092 1.00 11.10 C ATOM 843 O GLY A 53 4.207 11.343 -6.113 1.00 11.25 O ATOM 0 H GLY A 53 0.794 10.366 -5.010 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.222 9.353 -7.311 1.00 11.77 H new ATOM 0 HA3 GLY A 53 1.865 11.016 -6.889 1.00 11.77 H new ATOM 847 N ARG A 54 4.239 9.198 -5.528 1.00 8.53 N ATOM 848 CA ARG A 54 5.614 9.150 -5.121 1.00 9.05 C ATOM 849 C ARG A 54 6.005 7.717 -4.932 1.00 8.96 C ATOM 850 O ARG A 54 5.186 6.829 -5.181 1.00 11.60 O ATOM 851 CB ARG A 54 6.080 10.044 -3.943 1.00 7.97 C ATOM 852 CG ARG A 54 5.832 9.562 -2.457 1.00 9.62 C ATOM 853 CD ARG A 54 6.303 10.556 -1.403 1.00 12.20 C ATOM 854 NE ARG A 54 5.413 11.817 -1.422 1.00 18.23 N ATOM 855 CZ ARG A 54 5.389 12.728 -0.431 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.240 12.700 0.588 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.502 13.730 -0.541 1.00 23.38 N ATOM 0 H ARG A 54 3.738 8.328 -5.349 1.00 8.53 H new ATOM 0 HA ARG A 54 6.154 9.623 -5.941 1.00 9.05 H new ATOM 0 HB2 ARG A 54 7.151 10.206 -4.060 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.596 11.014 -4.057 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.767 9.376 -2.318 1.00 9.62 H new ATOM 0 HG3 ARG A 54 6.344 8.612 -2.302 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.270 10.094 -0.416 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.341 10.832 -1.591 1.00 12.20 H new ATOM 0 HE ARG A 54 4.810 11.969 -2.230 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.948 11.968 0.641 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.186 13.411 1.317 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.883 13.777 -1.351 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.447 14.444 0.185 1.00 23.38 H new ATOM 871 N THR A 55 7.302 7.367 -4.641 1.00 9.05 N ATOM 872 CA THR A 55 7.825 6.007 -4.664 1.00 9.03 C ATOM 873 C THR A 55 7.966 5.448 -3.242 1.00 8.15 C ATOM 874 O THR A 55 7.850 6.126 -2.245 1.00 5.91 O ATOM 875 CB THR A 55 9.001 5.694 -5.545 1.00 11.15 C ATOM 876 OG1 THR A 55 10.235 6.232 -5.047 1.00 11.95 O ATOM 877 CG2 THR A 55 8.852 6.341 -6.926 1.00 11.71 C ATOM 0 H THR A 55 8.007 8.057 -4.382 1.00 9.05 H new ATOM 0 HA THR A 55 7.048 5.463 -5.201 1.00 9.03 H new ATOM 0 HB THR A 55 9.023 4.605 -5.580 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.050 7.028 -4.507 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.719 6.095 -7.539 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.949 5.966 -7.408 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.781 7.423 -6.815 1.00 11.71 H new ATOM 885 N LEU A 56 8.139 4.098 -3.226 1.00 6.91 N ATOM 886 CA LEU A 56 8.532 3.323 -2.062 1.00 8.29 C ATOM 887 C LEU A 56 9.910 3.816 -1.518 1.00 8.05 C ATOM 888 O LEU A 56 10.016 4.109 -0.304 1.00 10.17 O ATOM 889 CB LEU A 56 8.679 1.805 -2.324 1.00 6.60 C ATOM 890 CG LEU A 56 7.321 1.104 -2.651 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.639 -0.339 -2.879 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.359 1.145 -1.433 1.00 8.64 C ATOM 0 H LEU A 56 8.000 3.522 -4.056 1.00 6.91 H new ATOM 0 HA LEU A 56 7.722 3.474 -1.349 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.369 1.651 -3.153 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.123 1.333 -1.448 1.00 6.60 H new ATOM 0 HG LEU A 56 6.854 1.600 -3.502 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.723 -0.881 -3.113 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.337 -0.431 -3.711 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.089 -0.759 -1.980 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.423 0.650 -1.692 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.819 0.633 -0.588 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.158 2.182 -1.163 1.00 8.64 H new ATOM 904 N SER A 57 10.881 4.151 -2.377 1.00 8.92 N ATOM 905 CA SER A 57 12.197 4.710 -1.996 1.00 9.00 C ATOM 906 C SER A 57 12.094 6.101 -1.277 1.00 9.44 C ATOM 907 O SER A 57 12.797 6.319 -0.237 1.00 10.91 O ATOM 908 CB SER A 57 13.074 4.917 -3.301 1.00 10.32 C ATOM 909 OG SER A 57 14.471 5.203 -3.030 1.00 13.59 O ATOM 0 H SER A 57 10.776 4.040 -3.386 1.00 8.92 H new ATOM 0 HA SER A 57 12.645 3.998 -1.303 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.009 4.020 -3.917 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.652 5.735 -3.885 1.00 10.32 H new ATOM 0 HG SER A 57 14.952 5.317 -3.876 1.00 13.59 H new ATOM 915 N ASP A 58 11.146 7.002 -1.696 1.00 9.11 N ATOM 916 CA ASP A 58 10.768 8.261 -1.017 1.00 7.91 C ATOM 917 C ASP A 58 10.381 8.081 0.459 1.00 9.12 C ATOM 918 O ASP A 58 10.729 8.840 1.383 1.00 8.61 O ATOM 919 CB ASP A 58 9.630 8.925 -1.756 1.00 8.41 C ATOM 920 CG ASP A 58 10.083 9.322 -3.132 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.998 10.186 -3.212 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.659 8.675 -4.097 1.00 11.70 O ATOM 0 H ASP A 58 10.611 6.852 -2.551 1.00 9.11 H new ATOM 0 HA ASP A 58 11.659 8.889 -1.032 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.782 8.244 -1.824 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.290 9.803 -1.207 1.00 8.41 H new ATOM 927 N TYR A 59 9.737 6.903 0.818 1.00 7.97 N ATOM 928 CA TYR A 59 9.353 6.598 2.181 1.00 8.45 C ATOM 929 C TYR A 59 10.382 5.633 2.798 1.00 10.98 C ATOM 930 O TYR A 59 10.293 5.299 4.011 1.00 12.95 O ATOM 931 CB TYR A 59 7.918 6.051 2.193 1.00 7.94 C ATOM 932 CG TYR A 59 6.867 7.093 1.960 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.570 8.070 2.977 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.013 6.983 0.838 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.498 8.903 2.759 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.878 7.873 0.739 1.00 6.52 C ATOM 937 CZ TYR A 59 4.701 8.853 1.658 1.00 6.76 C ATOM 938 OH TYR A 59 3.693 9.821 1.471 1.00 7.63 O ATOM 0 H TYR A 59 9.491 6.174 0.149 1.00 7.97 H new ATOM 0 HA TYR A 59 9.354 7.495 2.800 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.827 5.281 1.427 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.731 5.570 3.153 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.166 8.145 3.875 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.205 6.248 0.070 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.274 9.645 3.511 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.170 7.757 -0.068 1.00 6.52 H new ATOM 0 HH TYR A 59 3.939 10.410 0.727 1.00 7.63 H new ATOM 948 N ASN A 60 11.446 5.331 2.067 1.00 12.38 N ATOM 949 CA ASN A 60 12.436 4.352 2.397 1.00 13.94 C ATOM 950 C ASN A 60 11.864 2.942 2.805 1.00 14.16 C ATOM 951 O ASN A 60 12.277 2.431 3.825 1.00 14.26 O ATOM 952 CB ASN A 60 13.372 4.846 3.491 1.00 19.23 C ATOM 953 CG ASN A 60 14.227 6.050 3.022 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.342 7.086 3.726 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.105 5.843 2.020 1.00 24.09 N ATOM 0 H ASN A 60 11.639 5.797 1.180 1.00 12.38 H new ATOM 0 HA ASN A 60 12.985 4.210 1.466 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.788 5.134 4.365 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.029 4.033 3.801 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.847 6.521 1.844 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.028 5.009 1.438 1.00 24.09 H new ATOM 962 N ILE A 61 11.056 2.348 1.936 1.00 11.08 N ATOM 963 CA ILE A 61 10.516 1.035 2.175 1.00 11.78 C ATOM 964 C ILE A 61 11.367 -0.146 1.796 1.00 13.74 C ATOM 965 O ILE A 61 11.864 -0.239 0.698 1.00 14.60 O ATOM 966 CB ILE A 61 9.029 0.749 1.768 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.189 1.822 2.343 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.565 -0.640 2.242 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.689 1.714 2.227 1.00 11.42 C ATOM 0 H ILE A 61 10.764 2.768 1.054 1.00 11.08 H new ATOM 0 HA ILE A 61 10.528 1.124 3.261 1.00 11.78 H new ATOM 0 HB ILE A 61 8.939 0.743 0.682 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.433 1.900 3.403 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.489 2.761 1.877 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.530 -0.800 1.941 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.196 -1.407 1.794 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.640 -0.698 3.328 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.224 2.580 2.699 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.407 1.679 1.175 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.350 0.805 2.724 1.00 11.42 H new ATOM 981 N GLN A 62 11.660 -1.041 2.795 1.00 13.97 N ATOM 982 CA GLN A 62 12.664 -2.166 2.584 1.00 15.52 C ATOM 983 C GLN A 62 11.991 -3.527 2.479 1.00 13.94 C ATOM 984 O GLN A 62 10.805 -3.630 2.801 1.00 12.15 O ATOM 985 CB GLN A 62 13.693 -2.196 3.813 1.00 19.53 C ATOM 986 CG GLN A 62 13.097 -2.706 5.169 1.00 26.38 C ATOM 987 CD GLN A 62 14.054 -2.602 6.353 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.226 -2.155 6.293 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.675 -3.478 7.347 1.00 32.71 N ATOM 0 H GLN A 62 11.239 -1.018 3.724 1.00 13.97 H new ATOM 0 HA GLN A 62 13.181 -1.970 1.644 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.537 -2.831 3.544 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.085 -1.190 3.962 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.196 -2.136 5.394 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.795 -3.747 5.051 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.718 -3.830 7.379 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.351 -3.774 8.051 1.00 32.71 H new ATOM 998 N LYS A 63 12.737 -4.550 2.049 1.00 11.73 N ATOM 999 CA LYS A 63 12.338 -5.968 2.101 1.00 11.97 C ATOM 1000 C LYS A 63 11.810 -6.478 3.387 1.00 10.41 C ATOM 1001 O LYS A 63 12.286 -6.241 4.454 1.00 9.59 O ATOM 1002 CB LYS A 63 13.493 -6.857 1.556 1.00 13.73 C ATOM 1003 CG LYS A 63 14.652 -6.993 2.581 1.00 16.98 C ATOM 1004 CD LYS A 63 15.955 -7.360 1.838 1.00 20.19 C ATOM 1005 CE LYS A 63 15.942 -8.831 1.376 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.227 -9.105 0.739 1.00 25.97 N ATOM 0 H LYS A 63 13.663 -4.415 1.643 1.00 11.73 H new ATOM 0 HA LYS A 63 11.461 -6.030 1.456 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.106 -7.846 1.312 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.876 -6.428 0.630 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.782 -6.058 3.125 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.412 -7.760 3.318 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.080 -6.707 0.975 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.810 -7.190 2.493 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.785 -9.497 2.224 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.123 -9.006 0.678 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.250 -10.093 0.415 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.353 -8.471 -0.075 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.994 -8.947 1.423 1.00 25.97 H new ATOM 1020 N GLU A 64 10.687 -7.268 3.351 1.00 10.04 N ATOM 1021 CA GLU A 64 9.991 -7.900 4.494 1.00 10.94 C ATOM 1022 C GLU A 64 9.365 -6.951 5.457 1.00 9.74 C ATOM 1023 O GLU A 64 9.093 -7.254 6.602 1.00 9.42 O ATOM 1024 CB GLU A 64 10.915 -8.942 5.347 1.00 18.31 C ATOM 1025 CG GLU A 64 11.485 -10.051 4.515 1.00 24.16 C ATOM 1026 CD GLU A 64 12.126 -11.213 5.317 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.582 -11.662 6.350 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.278 -11.601 4.973 1.00 32.61 O ATOM 0 H GLU A 64 10.228 -7.485 2.466 1.00 10.04 H new ATOM 0 HA GLU A 64 9.199 -8.448 3.984 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.732 -8.392 5.815 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.317 -9.371 6.151 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.692 -10.458 3.887 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.238 -9.633 3.847 1.00 24.16 H new ATOM 1035 N SER A 65 9.063 -5.757 4.898 1.00 6.85 N ATOM 1036 CA SER A 65 8.213 -4.732 5.519 1.00 6.90 C ATOM 1037 C SER A 65 6.788 -5.259 5.502 1.00 4.72 C ATOM 1038 O SER A 65 6.387 -6.000 4.589 1.00 3.91 O ATOM 1039 CB SER A 65 8.273 -3.280 4.906 1.00 7.28 C ATOM 1040 OG SER A 65 9.607 -2.761 5.010 1.00 10.56 O ATOM 0 H SER A 65 9.415 -5.479 3.982 1.00 6.85 H new ATOM 0 HA SER A 65 8.606 -4.581 6.524 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.963 -3.304 3.861 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.577 -2.625 5.430 1.00 7.28 H new ATOM 0 HG SER A 65 10.198 -3.255 4.405 1.00 10.56 H new ATOM 1046 N THR A 66 6.040 -4.750 6.467 1.00 4.48 N ATOM 1047 CA THR A 66 4.637 -4.973 6.515 1.00 3.80 C ATOM 1048 C THR A 66 3.827 -3.687 6.530 1.00 4.60 C ATOM 1049 O THR A 66 3.924 -2.773 7.335 1.00 5.33 O ATOM 1050 CB THR A 66 4.185 -5.659 7.765 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.793 -6.923 7.918 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.690 -5.912 7.733 1.00 3.40 C ATOM 0 H THR A 66 6.403 -4.176 7.228 1.00 4.48 H new ATOM 0 HA THR A 66 4.470 -5.573 5.620 1.00 3.80 H new ATOM 0 HB THR A 66 4.462 -4.997 8.585 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.475 -7.341 8.746 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.386 -6.412 8.653 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.162 -4.962 7.644 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.446 -6.544 6.879 1.00 3.40 H new ATOM 1060 N LEU A 67 2.988 -3.562 5.448 1.00 4.17 N ATOM 1061 CA LEU A 67 2.202 -2.371 5.080 1.00 3.85 C ATOM 1062 C LEU A 67 0.784 -2.564 5.535 1.00 3.80 C ATOM 1063 O LEU A 67 0.167 -3.592 5.330 1.00 5.54 O ATOM 1064 CB LEU A 67 2.157 -2.175 3.562 1.00 7.18 C ATOM 1065 CG LEU A 67 3.421 -1.469 2.907 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.713 -2.148 3.144 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.252 -1.207 1.447 1.00 11.66 C ATOM 0 H LEU A 67 2.848 -4.331 4.793 1.00 4.17 H new ATOM 0 HA LEU A 67 2.673 -1.507 5.549 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.029 -3.151 3.094 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.272 -1.587 3.319 1.00 7.18 H new ATOM 0 HG LEU A 67 3.467 -0.518 3.437 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.512 -1.589 2.657 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.906 -2.199 4.216 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.674 -3.157 2.734 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.148 -0.724 1.058 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.092 -2.150 0.924 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.392 -0.556 1.291 1.00 11.66 H new ATOM 1079 N HIS A 68 0.265 -1.520 6.260 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.086 -1.565 6.820 1.00 4.17 C ATOM 1081 C HIS A 68 -2.114 -0.930 5.924 1.00 5.32 C ATOM 1082 O HIS A 68 -1.977 0.156 5.384 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.104 -0.715 8.159 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.276 -1.226 9.330 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.548 -0.945 10.660 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.770 -2.040 9.346 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.330 -1.677 11.395 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.153 -2.397 10.610 1.00 16.30 N ATOM 0 H HIS A 68 0.772 -0.657 6.456 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.329 -2.618 6.963 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.764 0.293 7.922 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.139 -0.632 8.490 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.269 -2.386 8.453 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.363 -1.681 12.474 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.885 -3.050 10.890 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.253 -1.646 5.658 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.240 -1.192 4.676 1.00 3.97 C ATOM 1098 C LEU A 69 -5.590 -0.983 5.315 1.00 5.07 C ATOM 1099 O LEU A 69 -6.013 -1.795 6.152 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.234 -2.091 3.358 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.518 -1.976 2.461 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.632 -0.589 1.706 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.429 -3.038 1.339 1.00 9.96 C ATOM 0 H LEU A 69 -3.490 -2.527 6.115 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.948 -0.205 4.316 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.366 -1.820 2.757 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.107 -3.134 3.650 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.370 -2.100 3.130 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.541 -0.576 1.104 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.668 0.220 2.435 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.766 -0.455 1.058 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.313 -2.973 0.705 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.538 -2.858 0.738 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.373 -4.032 1.783 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.278 0.085 4.956 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.665 0.269 5.407 1.00 6.26 C ATOM 1117 C VAL A 70 -8.509 0.712 4.237 1.00 9.22 C ATOM 1118 O VAL A 70 -8.018 1.400 3.384 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.742 1.364 6.554 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.975 1.188 7.398 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.616 1.191 7.524 1.00 8.54 C ATOM 0 H VAL A 70 -5.916 0.833 4.364 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.035 -0.677 5.803 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.723 2.328 6.045 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.997 1.953 8.174 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.862 1.281 6.771 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.961 0.202 7.862 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.686 1.951 8.302 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.675 0.201 7.977 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.666 1.295 7.000 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.801 0.395 4.250 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.834 0.873 3.301 1.00 16.06 C ATOM 1133 C LEU A 71 -11.206 2.350 3.463 1.00 18.09 C ATOM 1134 O LEU A 71 -11.668 2.769 4.518 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.070 0.023 3.237 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.815 -1.452 2.801 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.058 -2.286 3.033 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.378 -1.477 1.342 1.00 19.57 C ATOM 0 H LEU A 71 -10.188 -0.234 4.954 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.330 0.770 2.340 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.547 0.022 4.217 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.774 0.479 2.540 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.016 -1.886 3.402 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.869 -3.314 2.725 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.317 -2.266 4.092 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.884 -1.879 2.450 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.199 -2.507 1.033 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.161 -1.043 0.720 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.461 -0.899 1.227 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.896 3.164 2.469 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.070 4.579 2.593 1.00 25.83 C ATOM 1152 C ARG A 72 -12.373 5.191 1.976 1.00 27.74 C ATOM 1153 O ARG A 72 -12.794 4.939 0.858 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.812 5.197 1.842 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.484 6.601 2.256 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.275 7.187 1.517 1.00 34.05 C ATOM 1157 NE ARG A 72 -7.972 8.482 2.159 1.00 35.08 N ATOM 1158 CZ ARG A 72 -6.831 9.132 2.007 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -5.898 8.887 1.084 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -6.692 10.232 2.758 1.00 35.02 N ATOM 0 H ARG A 72 -10.523 2.857 1.571 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.160 4.812 3.654 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.945 4.563 2.025 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.998 5.180 0.768 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.352 7.236 2.079 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.289 6.620 3.328 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.420 6.514 1.580 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.497 7.322 0.458 1.00 34.05 H new ATOM 0 HE ARG A 72 -8.686 8.900 2.756 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.034 8.135 0.408 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.049 9.452 1.054 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -7.440 10.515 3.392 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -5.839 10.787 2.696 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.941 6.081 2.805 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.975 7.014 2.472 1.00 30.76 C ATOM 1176 C LEU A 73 -13.315 8.371 2.517 1.00 32.18 C ATOM 1177 O LEU A 73 -12.455 8.665 3.344 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.167 7.073 3.506 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.819 5.707 3.817 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.811 5.840 4.995 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.626 5.124 2.566 1.00 29.11 C ATOM 0 H LEU A 73 -12.657 6.155 3.782 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.398 6.716 1.513 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.802 7.506 4.437 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.932 7.746 3.120 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.005 5.027 4.066 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.262 4.870 5.202 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.280 6.190 5.880 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.592 6.555 4.734 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.066 4.163 2.833 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.417 5.820 2.287 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.946 4.990 1.725 1.00 29.11 H new ATOM 1193 N ARG A 74 -13.708 9.286 1.590 1.00 33.82 N ATOM 1194 CA ARG A 74 -12.979 10.588 1.574 1.00 35.33 C ATOM 1195 C ARG A 74 -13.166 11.473 2.780 1.00 36.22 C ATOM 1196 O ARG A 74 -12.209 12.065 3.274 1.00 36.70 O ATOM 1197 CB ARG A 74 -13.300 11.353 0.247 1.00 36.91 C ATOM 1198 CG ARG A 74 -12.356 10.937 -0.955 1.00 38.62 C ATOM 1199 CD ARG A 74 -10.878 11.194 -0.813 1.00 39.75 C ATOM 1200 NE ARG A 74 -10.124 10.497 -1.844 1.00 41.13 N ATOM 1201 CZ ARG A 74 -8.777 10.375 -1.877 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -7.968 10.903 -0.921 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -8.210 9.763 -2.935 1.00 41.93 N ATOM 0 H ARG A 74 -14.453 9.170 0.903 1.00 33.82 H new ATOM 0 HA ARG A 74 -11.922 10.325 1.622 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -14.337 11.165 -0.032 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -13.206 12.425 0.421 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -12.494 9.871 -1.135 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -12.702 11.458 -1.848 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -10.684 12.265 -0.877 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -10.542 10.868 0.171 1.00 39.75 H new ATOM 0 HE ARG A 74 -10.653 10.066 -2.602 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -8.372 11.416 -0.138 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -6.957 10.786 -0.987 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -8.794 9.403 -3.690 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -7.196 9.660 -2.981 1.00 41.93 H new ATOM 1217 N GLY A 75 -14.375 11.516 3.333 1.00 36.31 N ATOM 1218 CA GLY A 75 -14.665 12.389 4.456 1.00 36.07 C ATOM 1219 C GLY A 75 -14.108 11.914 5.749 1.00 36.16 C ATOM 1220 O GLY A 75 -14.256 12.597 6.755 1.00 36.26 O ATOM 0 H GLY A 75 -15.167 10.955 3.019 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.268 13.382 4.244 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.746 12.492 4.553 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.565 10.657 5.862 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.979 10.070 7.105 1.00 36.19 C ATOM 1226 C GLY A 76 -11.631 9.462 6.743 1.00 36.20 C ATOM 1227 O GLY A 76 -10.678 10.215 6.431 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.502 8.204 6.861 1.00 0.00 O ATOM 0 H GLY A 76 -13.525 10.015 5.071 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.859 10.837 7.870 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.642 9.310 7.518 1.00 36.19 H new TER 1232 GLY A 76