USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 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= 1.53 USER MOD Set 1.2: A 57 SER OG : rot -77:sc= 1.27 USER MOD Set 2.1: A 22 THR OG1 : rot -176:sc= 1.02 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.21 K(o=2.2,f=1.3) USER MOD Set 3.1: A 7 THR OG1 : rot 170:sc= -0.0249 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 157:sc= 1.21 (180deg=-0.134) USER MOD Set 4.2: A 12 THR OG1 : rot 150:sc= 0.958 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0313) USER MOD Single : A 1 MET N :NH3+ -159:sc= 2.45 (180deg=2.06) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.007) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.13 (180deg=0.881) 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 27 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.2) USER MOD Single : A 29 LYS NZ :NH3+ -112:sc= 0.837 (180deg=0.00543) USER MOD Single : A 31 GLN : amide:sc= -0.799 X(o=-0.8,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -0.132 (180deg=-0.339) USER MOD Single : A 40 GLN : amide:sc=-0.00582 K(o=-0.0058,f=-0.75) USER MOD Single : A 41 GLN : amide:sc= 0.315 K(o=0.31,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.389 K(o=-0.39,f=-2.9) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.372 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.334 X(o=0.33,f=-0.043) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc=-0.00464 (180deg=-0.383) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.183 K(o=0.18,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.502 -7.485 -5.042 1.00 9.67 N ATOM 2 CA MET A 1 11.439 -7.363 -3.552 1.00 10.38 C ATOM 3 C MET A 1 10.082 -7.739 -3.026 1.00 9.62 C ATOM 4 O MET A 1 9.058 -7.505 -3.638 1.00 9.62 O ATOM 5 CB MET A 1 11.810 -5.924 -3.174 1.00 13.77 C ATOM 6 CG MET A 1 12.019 -5.561 -1.736 1.00 16.29 C ATOM 7 SD MET A 1 12.479 -3.840 -1.412 1.00 17.17 S ATOM 8 CE MET A 1 10.769 -3.317 -1.249 1.00 16.11 C ATOM 0 H1 MET A 1 12.494 -7.572 -5.342 1.00 9.67 H new ATOM 0 H2 MET A 1 10.974 -8.329 -5.344 1.00 9.67 H new ATOM 0 H3 MET A 1 11.082 -6.639 -5.478 1.00 9.67 H new ATOM 0 HA MET A 1 12.146 -8.056 -3.096 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.726 -5.674 -3.709 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.026 -5.274 -3.563 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.102 -5.781 -1.189 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.796 -6.207 -1.328 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.731 -2.237 -1.107 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.219 -3.584 -2.151 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.318 -3.812 -0.389 1.00 16.11 H new ATOM 20 N GLN A 2 10.066 -8.330 -1.827 1.00 9.27 N ATOM 21 CA GLN A 2 8.863 -8.895 -1.299 1.00 9.07 C ATOM 22 C GLN A 2 8.435 -8.044 -0.088 1.00 8.72 C ATOM 23 O GLN A 2 9.264 -7.659 0.701 1.00 8.22 O ATOM 24 CB GLN A 2 9.200 -10.313 -0.728 1.00 14.46 C ATOM 25 CG GLN A 2 7.959 -11.033 -0.247 1.00 17.01 C ATOM 26 CD GLN A 2 8.188 -12.498 0.067 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.405 -12.868 1.278 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.150 -13.398 -0.912 1.00 19.49 N ATOM 0 H GLN A 2 10.881 -8.419 -1.220 1.00 9.27 H new ATOM 0 HA GLN A 2 8.094 -8.936 -2.071 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.690 -10.908 -1.498 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.906 -10.215 0.097 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.583 -10.534 0.646 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.184 -10.951 -1.009 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.977 -13.100 -1.872 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.293 -14.386 -0.702 1.00 19.49 H new ATOM 37 N ILE A 3 7.155 -7.723 0.012 1.00 5.87 N ATOM 38 CA ILE A 3 6.596 -6.913 1.101 1.00 5.07 C ATOM 39 C ILE A 3 5.231 -7.525 1.441 1.00 4.01 C ATOM 40 O ILE A 3 4.733 -8.420 0.733 1.00 4.61 O ATOM 41 CB ILE A 3 6.394 -5.485 0.772 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.772 -5.207 -0.556 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.731 -4.725 0.946 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.030 -3.883 -0.675 1.00 10.83 C ATOM 0 H ILE A 3 6.457 -8.020 -0.670 1.00 5.87 H new ATOM 0 HA ILE A 3 7.311 -6.929 1.924 1.00 5.07 H new ATOM 0 HB ILE A 3 5.650 -5.118 1.479 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.554 -5.233 -1.315 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.076 -6.014 -0.787 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.585 -3.672 0.704 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.070 -4.817 1.978 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.481 -5.150 0.279 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.619 -3.785 -1.680 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.219 -3.853 0.053 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.720 -3.061 -0.484 1.00 10.83 H new ATOM 56 N PHE A 4 4.673 -7.205 2.598 1.00 4.55 N ATOM 57 CA PHE A 4 3.373 -7.788 3.000 1.00 4.68 C ATOM 58 C PHE A 4 2.468 -6.597 3.357 1.00 5.30 C ATOM 59 O PHE A 4 2.864 -5.548 3.893 1.00 5.58 O ATOM 60 CB PHE A 4 3.533 -8.672 4.227 1.00 4.83 C ATOM 61 CG PHE A 4 4.775 -9.567 4.137 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.833 -10.624 3.221 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.793 -9.403 5.115 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.895 -11.479 3.210 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.821 -10.313 5.097 1.00 10.61 C ATOM 66 CZ PHE A 4 6.932 -11.315 4.105 1.00 8.90 C ATOM 0 H PHE A 4 5.079 -6.558 3.274 1.00 4.55 H new ATOM 0 HA PHE A 4 2.961 -8.401 2.199 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.601 -8.047 5.117 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.646 -9.295 4.342 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.028 -10.764 2.515 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.760 -8.601 5.838 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.925 -12.289 2.497 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.574 -10.262 5.870 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.811 -11.940 4.049 1.00 8.90 H new ATOM 76 N VAL A 5 1.183 -6.684 3.011 1.00 4.44 N ATOM 77 CA VAL A 5 0.213 -5.655 3.417 1.00 3.87 C ATOM 78 C VAL A 5 -0.857 -6.354 4.195 1.00 4.93 C ATOM 79 O VAL A 5 -1.416 -7.424 3.842 1.00 6.84 O ATOM 80 CB VAL A 5 -0.349 -5.031 2.089 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.282 -3.901 2.481 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.669 -4.446 1.183 1.00 9.13 C ATOM 0 H VAL A 5 0.789 -7.445 2.457 1.00 4.44 H new ATOM 0 HA VAL A 5 0.638 -4.864 4.035 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.822 -5.849 1.546 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.694 -3.441 1.583 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.094 -4.295 3.092 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.729 -3.154 3.050 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.179 -4.043 0.297 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.199 -3.646 1.700 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.378 -5.218 0.885 1.00 9.13 H new ATOM 92 N LYS A 6 -1.204 -5.838 5.435 1.00 6.04 N ATOM 93 CA LYS A 6 -2.163 -6.334 6.370 1.00 6.12 C ATOM 94 C LYS A 6 -3.483 -5.575 6.472 1.00 6.57 C ATOM 95 O LYS A 6 -3.475 -4.371 6.687 1.00 5.76 O ATOM 96 CB LYS A 6 -1.587 -6.183 7.817 1.00 7.45 C ATOM 97 CG LYS A 6 -1.818 -7.446 8.684 1.00 11.12 C ATOM 98 CD LYS A 6 -0.826 -7.528 9.883 1.00 14.54 C ATOM 99 CE LYS A 6 -0.515 -8.917 10.496 1.00 18.84 C ATOM 100 NZ LYS A 6 0.094 -9.792 9.469 1.00 20.55 N ATOM 0 H LYS A 6 -0.752 -4.994 5.786 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.351 -7.345 6.008 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.518 -5.977 7.759 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.052 -5.324 8.301 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.841 -7.444 9.061 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.709 -8.335 8.063 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.119 -7.089 9.561 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.217 -6.895 10.680 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.163 -8.808 11.343 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.430 -9.370 10.877 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.644 -10.542 9.934 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.656 -10.221 8.890 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.722 -9.229 8.861 1.00 20.55 H new ATOM 114 N THR A 7 -4.670 -6.277 6.318 1.00 7.41 N ATOM 115 CA THR A 7 -6.029 -5.734 6.197 1.00 7.48 C ATOM 116 C THR A 7 -6.712 -5.498 7.525 1.00 8.75 C ATOM 117 O THR A 7 -6.148 -5.897 8.565 1.00 8.58 O ATOM 118 CB THR A 7 -6.938 -6.489 5.267 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.392 -7.715 5.907 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.190 -6.904 4.008 1.00 9.17 C ATOM 0 H THR A 7 -4.671 -7.296 6.276 1.00 7.41 H new ATOM 0 HA THR A 7 -5.852 -4.764 5.733 1.00 7.48 H new ATOM 0 HB THR A 7 -7.775 -5.835 5.021 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.104 -8.120 5.369 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.864 -7.449 3.347 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.819 -6.016 3.496 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.350 -7.544 4.278 1.00 9.17 H new ATOM 128 N LEU A 8 -7.888 -4.834 7.520 1.00 9.84 N ATOM 129 CA LEU A 8 -8.789 -4.651 8.702 1.00 14.15 C ATOM 130 C LEU A 8 -9.222 -5.866 9.446 1.00 17.37 C ATOM 131 O LEU A 8 -9.424 -5.897 10.619 1.00 17.01 O ATOM 132 CB LEU A 8 -10.058 -3.949 8.207 1.00 16.63 C ATOM 133 CG LEU A 8 -9.845 -2.526 7.523 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.066 -2.109 6.732 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.660 -1.420 8.610 1.00 18.59 C ATOM 0 H LEU A 8 -8.256 -4.395 6.676 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.186 -4.091 9.417 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.556 -4.603 7.492 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.735 -3.826 9.052 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.969 -2.622 6.881 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.890 -1.134 6.277 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.262 -2.844 5.951 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.927 -2.049 7.397 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.516 -0.454 8.126 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.547 -1.380 9.243 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.788 -1.653 9.221 1.00 18.59 H new ATOM 147 N THR A 9 -9.431 -6.956 8.686 1.00 18.33 N ATOM 148 CA THR A 9 -9.877 -8.310 9.192 1.00 19.24 C ATOM 149 C THR A 9 -8.697 -9.301 9.285 1.00 19.48 C ATOM 150 O THR A 9 -8.917 -10.542 9.235 1.00 23.14 O ATOM 151 CB THR A 9 -10.986 -8.970 8.403 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.721 -9.083 7.018 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.269 -8.159 8.540 1.00 19.70 C ATOM 0 H THR A 9 -9.297 -6.942 7.675 1.00 18.33 H new ATOM 0 HA THR A 9 -10.281 -8.083 10.179 1.00 19.24 H new ATOM 0 HB THR A 9 -11.075 -9.974 8.818 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.478 -9.519 6.575 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.065 -8.638 7.970 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.556 -8.106 9.590 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.105 -7.151 8.158 1.00 19.70 H new ATOM 161 N GLY A 10 -7.471 -8.848 9.432 1.00 19.43 N ATOM 162 CA GLY A 10 -6.270 -9.680 9.735 1.00 18.74 C ATOM 163 C GLY A 10 -5.586 -10.384 8.530 1.00 17.62 C ATOM 164 O GLY A 10 -4.581 -11.029 8.680 1.00 19.74 O ATOM 0 H GLY A 10 -7.248 -7.856 9.345 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.530 -9.045 10.223 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.559 -10.444 10.456 1.00 18.74 H new ATOM 168 N LYS A 11 -6.146 -10.338 7.288 1.00 13.56 N ATOM 169 CA LYS A 11 -5.548 -10.938 6.093 1.00 11.91 C ATOM 170 C LYS A 11 -4.166 -10.356 5.751 1.00 10.18 C ATOM 171 O LYS A 11 -4.014 -9.104 5.668 1.00 9.10 O ATOM 172 CB LYS A 11 -6.525 -10.879 4.892 1.00 13.43 C ATOM 173 CG LYS A 11 -6.052 -11.509 3.572 1.00 16.69 C ATOM 174 CD LYS A 11 -7.165 -11.326 2.500 1.00 17.92 C ATOM 175 CE LYS A 11 -6.874 -12.052 1.247 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.986 -11.820 0.291 1.00 21.93 N ATOM 0 H LYS A 11 -7.035 -9.874 7.103 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.370 -11.988 6.324 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.453 -11.369 5.187 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.763 -9.833 4.701 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.127 -11.038 3.239 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.837 -12.568 3.715 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.115 -11.675 2.905 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.282 -10.265 2.281 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.932 -11.707 0.821 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.763 -13.118 1.445 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.719 -12.181 -0.647 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.838 -12.315 0.623 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.181 -10.801 0.227 1.00 21.93 H new ATOM 190 N THR A 12 -3.176 -11.250 5.507 1.00 9.63 N ATOM 191 CA THR A 12 -1.871 -10.750 5.106 1.00 9.85 C ATOM 192 C THR A 12 -1.503 -11.097 3.685 1.00 11.66 C ATOM 193 O THR A 12 -1.010 -12.215 3.434 1.00 12.33 O ATOM 194 CB THR A 12 -0.767 -11.244 5.991 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.030 -11.068 7.394 1.00 10.91 O ATOM 196 CG2 THR A 12 0.628 -10.544 5.685 1.00 9.63 C ATOM 0 H THR A 12 -3.261 -12.264 5.580 1.00 9.63 H new ATOM 0 HA THR A 12 -1.970 -9.668 5.197 1.00 9.85 H new ATOM 0 HB THR A 12 -0.716 -12.308 5.761 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.582 -11.776 7.902 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.389 -10.941 6.356 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.916 -10.742 4.652 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.536 -9.468 5.836 1.00 9.63 H new ATOM 204 N ILE A 13 -1.635 -10.136 2.764 1.00 10.42 N ATOM 205 CA ILE A 13 -1.377 -10.350 1.324 1.00 11.84 C ATOM 206 C ILE A 13 0.092 -9.980 1.083 1.00 10.55 C ATOM 207 O ILE A 13 0.628 -9.019 1.628 1.00 11.92 O ATOM 208 CB ILE A 13 -2.294 -9.677 0.369 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.248 -8.180 0.351 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.743 -10.150 0.727 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.208 -7.503 -0.614 1.00 16.46 C ATOM 0 H ILE A 13 -1.924 -9.184 2.990 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.584 -11.398 1.107 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.971 -9.961 -0.632 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.456 -7.816 1.357 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.233 -7.869 0.103 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.457 -9.681 0.050 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.807 -11.234 0.628 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.975 -9.866 1.753 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.091 -6.422 -0.545 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.990 -7.827 -1.632 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.232 -7.774 -0.358 1.00 16.46 H new ATOM 223 N THR A 14 0.786 -10.735 0.206 1.00 9.39 N ATOM 224 CA THR A 14 2.202 -10.669 -0.008 1.00 9.63 C ATOM 225 C THR A 14 2.389 -9.997 -1.358 1.00 11.20 C ATOM 226 O THR A 14 1.829 -10.466 -2.358 1.00 11.63 O ATOM 227 CB THR A 14 2.942 -11.985 -0.134 1.00 10.38 C ATOM 228 OG1 THR A 14 2.851 -12.746 1.045 1.00 16.30 O ATOM 229 CG2 THR A 14 4.445 -11.760 -0.381 1.00 11.66 C ATOM 0 H THR A 14 0.332 -11.430 -0.386 1.00 9.39 H new ATOM 0 HA THR A 14 2.604 -10.164 0.871 1.00 9.63 H new ATOM 0 HB THR A 14 2.477 -12.506 -0.971 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.338 -13.589 0.929 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.948 -12.723 -0.467 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.582 -11.196 -1.304 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.871 -11.201 0.452 1.00 11.66 H new ATOM 237 N LEU A 15 3.211 -8.932 -1.517 1.00 8.29 N ATOM 238 CA LEU A 15 3.410 -8.310 -2.815 1.00 9.03 C ATOM 239 C LEU A 15 4.859 -8.472 -3.251 1.00 8.59 C ATOM 240 O LEU A 15 5.703 -8.166 -2.458 1.00 7.79 O ATOM 241 CB LEU A 15 2.969 -6.865 -2.751 1.00 11.08 C ATOM 242 CG LEU A 15 1.524 -6.634 -2.370 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.290 -5.151 -2.320 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.469 -7.250 -3.251 1.00 15.27 C ATOM 0 H LEU A 15 3.737 -8.500 -0.757 1.00 8.29 H new ATOM 0 HA LEU A 15 2.799 -8.801 -3.572 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.602 -6.343 -2.033 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.146 -6.407 -3.724 1.00 11.08 H new ATOM 0 HG LEU A 15 1.406 -7.141 -1.412 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.253 -4.955 -2.047 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.951 -4.703 -1.578 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.496 -4.717 -3.299 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.519 -7.005 -2.861 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.567 -6.859 -4.264 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.594 -8.333 -3.266 1.00 15.27 H new ATOM 256 N GLU A 16 5.037 -8.823 -4.519 1.00 11.04 N ATOM 257 CA GLU A 16 6.259 -8.677 -5.230 1.00 11.50 C ATOM 258 C GLU A 16 6.246 -7.301 -5.915 1.00 10.13 C ATOM 259 O GLU A 16 5.402 -6.908 -6.750 1.00 9.83 O ATOM 260 CB GLU A 16 6.489 -9.710 -6.305 1.00 17.22 C ATOM 261 CG GLU A 16 7.844 -9.628 -7.094 1.00 23.33 C ATOM 262 CD GLU A 16 9.064 -9.932 -6.265 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.011 -10.868 -5.388 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.107 -9.300 -6.410 1.00 28.90 O ATOM 0 H GLU A 16 4.292 -9.231 -5.084 1.00 11.04 H new ATOM 0 HA GLU A 16 7.057 -8.797 -4.497 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.423 -10.697 -5.846 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.673 -9.638 -7.024 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.806 -10.324 -7.932 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.946 -8.628 -7.515 1.00 23.33 H new ATOM 271 N VAL A 17 7.263 -6.559 -5.596 1.00 8.99 N ATOM 272 CA VAL A 17 7.359 -5.169 -6.039 1.00 8.85 C ATOM 273 C VAL A 17 8.808 -4.878 -6.286 1.00 8.04 C ATOM 274 O VAL A 17 9.732 -5.666 -5.992 1.00 8.99 O ATOM 275 CB VAL A 17 6.812 -4.202 -4.960 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.321 -4.512 -4.642 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.629 -4.228 -3.647 1.00 10.54 C ATOM 0 H VAL A 17 8.049 -6.879 -5.030 1.00 8.99 H new ATOM 0 HA VAL A 17 6.766 -5.026 -6.942 1.00 8.85 H new ATOM 0 HB VAL A 17 6.904 -3.202 -5.384 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.960 -3.820 -3.882 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.725 -4.400 -5.548 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.232 -5.534 -4.274 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.193 -3.529 -2.933 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.611 -5.234 -3.227 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.660 -3.940 -3.854 1.00 10.54 H new ATOM 287 N GLU A 18 9.081 -3.674 -6.820 1.00 7.29 N ATOM 288 CA GLU A 18 10.442 -3.153 -6.803 1.00 7.08 C ATOM 289 C GLU A 18 10.368 -1.950 -5.888 1.00 6.45 C ATOM 290 O GLU A 18 9.330 -1.221 -5.892 1.00 5.28 O ATOM 291 CB GLU A 18 10.881 -2.645 -8.191 1.00 10.28 C ATOM 292 CG GLU A 18 11.147 -3.784 -9.263 1.00 12.65 C ATOM 293 CD GLU A 18 11.817 -3.079 -10.433 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.990 -2.686 -10.242 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.148 -2.928 -11.506 1.00 18.17 O ATOM 0 H GLU A 18 8.390 -3.063 -7.256 1.00 7.29 H new ATOM 0 HA GLU A 18 11.145 -3.926 -6.493 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.113 -1.975 -8.577 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.790 -2.055 -8.076 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.787 -4.567 -8.856 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.216 -4.261 -9.571 1.00 12.65 H new ATOM 302 N PRO A 19 11.335 -1.627 -5.039 1.00 7.24 N ATOM 303 CA PRO A 19 11.271 -0.409 -4.122 1.00 7.07 C ATOM 304 C PRO A 19 11.224 0.919 -4.759 1.00 6.65 C ATOM 305 O PRO A 19 11.011 1.887 -4.089 1.00 6.37 O ATOM 306 CB PRO A 19 12.620 -0.515 -3.416 1.00 7.61 C ATOM 307 CG PRO A 19 13.541 -1.159 -4.434 1.00 8.16 C ATOM 308 CD PRO A 19 12.641 -2.189 -5.054 1.00 7.49 C ATOM 0 HA PRO A 19 10.353 -0.443 -3.536 1.00 7.07 H new ATOM 0 HB2 PRO A 19 12.987 0.466 -3.115 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.547 -1.119 -2.511 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.906 -0.440 -5.168 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.416 -1.609 -3.966 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.955 -2.420 -6.072 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.671 -3.122 -4.492 1.00 7.49 H new ATOM 316 N SER A 20 11.464 0.948 -6.078 1.00 6.80 N ATOM 317 CA SER A 20 11.268 2.051 -6.941 1.00 6.28 C ATOM 318 C SER A 20 9.958 2.095 -7.672 1.00 8.45 C ATOM 319 O SER A 20 9.682 3.039 -8.440 1.00 7.26 O ATOM 320 CB SER A 20 12.384 2.228 -8.034 1.00 8.57 C ATOM 321 OG SER A 20 12.635 1.075 -8.775 1.00 11.13 O ATOM 0 H SER A 20 11.823 0.132 -6.573 1.00 6.80 H new ATOM 0 HA SER A 20 11.299 2.862 -6.214 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.090 3.028 -8.713 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.307 2.545 -7.549 1.00 8.57 H new ATOM 0 HG SER A 20 13.336 1.257 -9.435 1.00 11.13 H new ATOM 327 N ASP A 21 9.082 1.109 -7.407 1.00 7.50 N ATOM 328 CA ASP A 21 7.673 1.175 -7.697 1.00 7.70 C ATOM 329 C ASP A 21 6.948 2.314 -6.847 1.00 7.08 C ATOM 330 O ASP A 21 7.236 2.608 -5.693 1.00 8.11 O ATOM 331 CB ASP A 21 6.855 -0.202 -7.432 1.00 11.00 C ATOM 332 CG ASP A 21 7.195 -1.270 -8.505 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.565 -0.861 -9.629 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.957 -2.493 -8.298 1.00 18.03 O ATOM 0 H ASP A 21 9.361 0.229 -6.974 1.00 7.50 H new ATOM 0 HA ASP A 21 7.649 1.389 -8.765 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.097 -0.587 -6.442 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.784 0.000 -7.442 1.00 11.00 H new ATOM 339 N THR A 22 5.965 3.018 -7.509 1.00 5.37 N ATOM 340 CA THR A 22 5.227 4.024 -6.780 1.00 6.01 C ATOM 341 C THR A 22 4.143 3.509 -5.877 1.00 8.01 C ATOM 342 O THR A 22 3.707 2.360 -6.032 1.00 8.11 O ATOM 343 CB THR A 22 4.667 5.234 -7.592 1.00 8.92 C ATOM 344 OG1 THR A 22 3.420 4.850 -8.223 1.00 10.22 O ATOM 345 CG2 THR A 22 5.699 5.718 -8.636 1.00 9.65 C ATOM 0 H THR A 22 5.703 2.894 -8.487 1.00 5.37 H new ATOM 0 HA THR A 22 6.047 4.404 -6.171 1.00 6.01 H new ATOM 0 HB THR A 22 4.477 6.067 -6.915 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.097 5.586 -8.784 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.288 6.562 -9.190 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.612 6.028 -8.128 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.926 4.906 -9.327 1.00 9.65 H new ATOM 353 N ILE A 23 3.645 4.311 -4.939 1.00 8.32 N ATOM 354 CA ILE A 23 2.571 3.876 -4.028 1.00 9.92 C ATOM 355 C ILE A 23 1.228 3.683 -4.716 1.00 10.01 C ATOM 356 O ILE A 23 0.441 2.777 -4.444 1.00 8.71 O ATOM 357 CB ILE A 23 2.368 4.737 -2.833 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.680 5.143 -2.033 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.324 4.121 -1.844 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.571 3.944 -1.537 1.00 12.30 C ATOM 0 H ILE A 23 3.963 5.268 -4.784 1.00 8.32 H new ATOM 0 HA ILE A 23 2.946 2.912 -3.684 1.00 9.92 H new ATOM 0 HB ILE A 23 1.987 5.664 -3.262 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.288 5.785 -2.670 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.387 5.737 -1.167 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.204 4.780 -0.984 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.366 4.008 -2.351 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.674 3.145 -1.507 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.439 4.332 -1.004 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.988 3.310 -0.869 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.903 3.359 -2.394 1.00 12.30 H new ATOM 372 N GLU A 24 0.955 4.524 -5.732 1.00 9.54 N ATOM 373 CA GLU A 24 -0.192 4.434 -6.675 1.00 11.81 C ATOM 374 C GLU A 24 -0.224 3.118 -7.521 1.00 11.14 C ATOM 375 O GLU A 24 -1.261 2.468 -7.696 1.00 10.62 O ATOM 376 CB GLU A 24 -0.173 5.623 -7.644 1.00 19.24 C ATOM 377 CG GLU A 24 -1.561 5.937 -8.381 1.00 27.76 C ATOM 378 CD GLU A 24 -1.445 7.018 -9.409 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.473 7.062 -10.154 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.241 7.984 -9.381 1.00 36.51 O ATOM 0 H GLU A 24 1.553 5.325 -5.933 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.083 4.440 -6.047 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.135 6.512 -7.094 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.587 5.438 -8.403 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.927 5.028 -8.858 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.303 6.228 -7.638 1.00 27.76 H new ATOM 387 N ASN A 25 1.005 2.683 -7.861 1.00 9.43 N ATOM 388 CA ASN A 25 1.163 1.442 -8.501 1.00 10.96 C ATOM 389 C ASN A 25 1.173 0.187 -7.584 1.00 9.68 C ATOM 390 O ASN A 25 0.602 -0.871 -7.928 1.00 9.33 O ATOM 391 CB ASN A 25 2.574 1.434 -9.224 1.00 16.78 C ATOM 392 CG ASN A 25 2.391 2.265 -10.551 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.986 1.643 -11.514 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.699 3.551 -10.573 1.00 24.70 N ATOM 0 H ASN A 25 1.870 3.195 -7.689 1.00 9.43 H new ATOM 0 HA ASN A 25 0.294 1.364 -9.154 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.340 1.879 -8.588 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.894 0.415 -9.443 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.602 4.084 -11.437 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.034 4.010 -9.726 1.00 24.70 H new ATOM 401 N VAL A 26 1.480 0.323 -6.280 1.00 6.52 N ATOM 402 CA VAL A 26 1.141 -0.670 -5.198 1.00 5.53 C ATOM 403 C VAL A 26 -0.306 -0.863 -5.078 1.00 4.42 C ATOM 404 O VAL A 26 -0.841 -1.963 -5.117 1.00 3.40 O ATOM 405 CB VAL A 26 1.811 -0.379 -3.891 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.441 -1.356 -2.751 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.335 -0.623 -4.056 1.00 8.12 C ATOM 0 H VAL A 26 1.981 1.137 -5.924 1.00 6.52 H new ATOM 0 HA VAL A 26 1.559 -1.626 -5.512 1.00 5.53 H new ATOM 0 HB VAL A 26 1.506 0.637 -3.641 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.971 -1.072 -1.842 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.366 -1.316 -2.572 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.725 -2.370 -3.034 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.841 -0.416 -3.113 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.509 -1.661 -4.341 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.727 0.036 -4.830 1.00 8.12 H new ATOM 417 N LYS A 27 -1.158 0.242 -5.057 1.00 2.64 N ATOM 418 CA LYS A 27 -2.639 0.164 -5.006 1.00 4.14 C ATOM 419 C LYS A 27 -3.354 -0.327 -6.302 1.00 5.58 C ATOM 420 O LYS A 27 -4.379 -1.029 -6.197 1.00 4.11 O ATOM 421 CB LYS A 27 -3.325 1.436 -4.431 1.00 3.97 C ATOM 422 CG LYS A 27 -2.729 1.797 -3.071 1.00 7.45 C ATOM 423 CD LYS A 27 -3.220 2.999 -2.302 1.00 9.02 C ATOM 424 CE LYS A 27 -3.017 4.339 -2.982 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.439 5.506 -2.182 1.00 15.47 N ATOM 0 H LYS A 27 -0.810 1.201 -5.076 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.782 -0.642 -4.287 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.198 2.269 -5.123 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.397 1.265 -4.331 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.860 0.929 -2.425 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.657 1.927 -3.217 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.284 2.870 -2.102 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.715 3.021 -1.336 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.962 4.449 -3.231 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.568 4.341 -3.922 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.188 6.381 -2.685 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.468 5.473 -2.037 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.958 5.487 -1.260 1.00 15.47 H new ATOM 439 N ALA A 28 -2.708 -0.104 -7.487 1.00 6.61 N ATOM 440 CA ALA A 28 -3.032 -0.806 -8.639 1.00 7.74 C ATOM 441 C ALA A 28 -2.743 -2.314 -8.659 1.00 9.17 C ATOM 442 O ALA A 28 -3.564 -3.151 -9.062 1.00 11.45 O ATOM 443 CB ALA A 28 -2.280 -0.201 -9.887 1.00 7.68 C ATOM 0 H ALA A 28 -1.959 0.578 -7.607 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.116 -0.694 -8.671 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.547 -0.765 -10.781 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.570 0.842 -10.016 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.203 -0.262 -9.728 1.00 7.68 H new ATOM 449 N LYS A 29 -1.577 -2.710 -8.125 1.00 8.96 N ATOM 450 CA LYS A 29 -1.275 -4.110 -7.887 1.00 7.90 C ATOM 451 C LYS A 29 -2.252 -4.841 -7.009 1.00 6.92 C ATOM 452 O LYS A 29 -2.664 -5.984 -7.233 1.00 6.87 O ATOM 453 CB LYS A 29 0.150 -4.356 -7.294 1.00 10.28 C ATOM 454 CG LYS A 29 0.634 -5.820 -7.382 1.00 14.94 C ATOM 455 CD LYS A 29 2.195 -5.906 -7.504 1.00 19.69 C ATOM 456 CE LYS A 29 2.619 -5.723 -8.947 1.00 22.63 C ATOM 457 NZ LYS A 29 4.074 -5.877 -9.151 1.00 24.98 N ATOM 0 H LYS A 29 -0.832 -2.069 -7.852 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.343 -4.515 -8.897 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.863 -3.718 -7.817 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.153 -4.047 -6.249 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.307 -6.366 -6.497 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.174 -6.305 -8.243 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.658 -5.140 -6.882 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.543 -6.871 -7.135 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.093 -6.448 -9.568 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.314 -4.733 -9.286 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.487 -4.959 -9.411 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.514 -6.218 -8.272 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.247 -6.563 -9.913 1.00 24.98 H new ATOM 471 N ILE A 30 -2.617 -4.090 -5.956 1.00 4.57 N ATOM 472 CA ILE A 30 -3.664 -4.451 -4.989 1.00 5.58 C ATOM 473 C ILE A 30 -5.057 -4.615 -5.641 1.00 7.26 C ATOM 474 O ILE A 30 -5.734 -5.599 -5.379 1.00 9.46 O ATOM 475 CB ILE A 30 -3.663 -3.741 -3.623 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.381 -4.111 -2.950 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.834 -4.157 -2.752 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.030 -3.334 -1.686 1.00 2.00 C ATOM 0 H ILE A 30 -2.180 -3.192 -5.750 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.353 -5.446 -4.671 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.757 -2.665 -3.773 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.420 -5.171 -2.700 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.570 -3.983 -3.666 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.786 -3.627 -1.801 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.768 -3.912 -3.257 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.790 -5.231 -2.572 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.080 -3.693 -1.291 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.948 -2.273 -1.922 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.811 -3.480 -0.940 1.00 2.00 H new ATOM 490 N GLN A 31 -5.496 -3.632 -6.483 1.00 7.06 N ATOM 491 CA GLN A 31 -6.776 -3.762 -7.233 1.00 8.67 C ATOM 492 C GLN A 31 -6.766 -4.979 -8.138 1.00 10.90 C ATOM 493 O GLN A 31 -7.696 -5.733 -8.173 1.00 9.63 O ATOM 494 CB GLN A 31 -6.994 -2.490 -8.000 1.00 9.12 C ATOM 495 CG GLN A 31 -8.382 -2.635 -8.724 1.00 10.76 C ATOM 496 CD GLN A 31 -8.586 -1.255 -9.329 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.726 -0.567 -9.892 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.908 -0.894 -9.303 1.00 14.76 N ATOM 0 H GLN A 31 -4.993 -2.761 -6.655 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.603 -3.914 -6.540 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.994 -1.629 -7.331 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.194 -2.332 -8.723 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.362 -3.413 -9.487 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.178 -2.893 -8.026 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.589 -1.487 -8.829 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -10.210 -0.033 -9.758 1.00 14.76 H new ATOM 507 N ASP A 32 -5.642 -5.194 -8.823 1.00 10.93 N ATOM 508 CA ASP A 32 -5.474 -6.343 -9.683 1.00 14.01 C ATOM 509 C ASP A 32 -5.568 -7.685 -8.917 1.00 14.04 C ATOM 510 O ASP A 32 -6.091 -8.676 -9.398 1.00 13.39 O ATOM 511 CB ASP A 32 -4.097 -6.238 -10.508 1.00 18.01 C ATOM 512 CG ASP A 32 -4.090 -7.193 -11.660 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.849 -7.061 -12.619 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.184 -8.090 -11.749 1.00 25.17 O ATOM 0 H ASP A 32 -4.832 -4.574 -8.791 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.305 -6.335 -10.389 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.964 -5.220 -10.874 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.256 -6.452 -9.848 1.00 18.01 H new ATOM 519 N LYS A 33 -5.118 -7.716 -7.663 1.00 14.22 N ATOM 520 CA LYS A 33 -5.302 -8.934 -6.862 1.00 14.00 C ATOM 521 C LYS A 33 -6.654 -8.983 -6.100 1.00 12.37 C ATOM 522 O LYS A 33 -7.395 -9.985 -6.079 1.00 12.17 O ATOM 523 CB LYS A 33 -4.146 -8.917 -5.849 1.00 18.62 C ATOM 524 CG LYS A 33 -2.772 -9.345 -6.474 1.00 24.00 C ATOM 525 CD LYS A 33 -1.608 -9.207 -5.472 1.00 27.61 C ATOM 526 CE LYS A 33 -0.241 -9.783 -5.832 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.438 -11.088 -6.525 1.00 30.06 N ATOM 0 H LYS A 33 -4.642 -6.947 -7.191 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.309 -9.807 -7.515 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.052 -7.915 -5.432 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.386 -9.585 -5.022 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.836 -10.379 -6.814 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.568 -8.733 -7.352 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.473 -8.144 -5.271 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.923 -9.671 -4.537 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.302 -9.092 -6.476 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.360 -9.920 -4.933 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.416 -11.671 -6.417 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.251 -11.584 -6.107 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.617 -10.921 -7.536 1.00 30.06 H new ATOM 541 N GLU A 34 -7.025 -7.978 -5.329 1.00 10.11 N ATOM 542 CA GLU A 34 -8.037 -8.061 -4.268 1.00 10.07 C ATOM 543 C GLU A 34 -9.312 -7.435 -4.731 1.00 9.32 C ATOM 544 O GLU A 34 -10.279 -7.566 -3.969 1.00 11.61 O ATOM 545 CB GLU A 34 -7.532 -7.290 -2.991 1.00 14.77 C ATOM 546 CG GLU A 34 -6.537 -8.157 -2.164 1.00 18.75 C ATOM 547 CD GLU A 34 -7.153 -9.428 -1.650 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.125 -9.367 -0.844 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.703 -10.473 -2.144 1.00 25.19 O ATOM 0 H GLU A 34 -6.622 -7.045 -5.419 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.207 -9.110 -4.027 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.046 -6.362 -3.292 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.384 -7.016 -2.368 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.675 -8.402 -2.784 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.167 -7.572 -1.322 1.00 18.75 H new ATOM 556 N GLY A 35 -9.321 -6.803 -5.943 1.00 7.22 N ATOM 557 CA GLY A 35 -10.535 -6.131 -6.582 1.00 6.29 C ATOM 558 C GLY A 35 -10.872 -4.728 -6.056 1.00 6.93 C ATOM 559 O GLY A 35 -11.844 -4.077 -6.439 1.00 7.41 O ATOM 0 H GLY A 35 -8.485 -6.736 -6.523 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.367 -6.066 -7.657 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.403 -6.773 -6.433 1.00 6.29 H new ATOM 563 N ILE A 36 -10.047 -4.205 -5.142 1.00 5.86 N ATOM 564 CA ILE A 36 -10.387 -3.060 -4.353 1.00 6.07 C ATOM 565 C ILE A 36 -10.053 -1.713 -5.091 1.00 6.36 C ATOM 566 O ILE A 36 -8.936 -1.553 -5.550 1.00 6.18 O ATOM 567 CB ILE A 36 -9.579 -3.015 -3.064 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.541 -4.394 -2.431 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.129 -1.961 -2.127 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.937 -4.572 -1.071 1.00 9.49 C ATOM 0 H ILE A 36 -9.121 -4.582 -4.942 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.456 -3.154 -4.164 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.551 -2.729 -3.288 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.567 -4.757 -2.381 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.003 -5.051 -3.114 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.538 -1.944 -1.211 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.080 -0.984 -2.609 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.166 -2.194 -1.885 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.998 -5.621 -0.780 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.892 -4.261 -1.093 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.481 -3.963 -0.349 1.00 9.49 H new ATOM 582 N PRO A 37 -10.955 -0.825 -5.292 1.00 8.65 N ATOM 583 CA PRO A 37 -10.662 0.470 -5.978 1.00 9.18 C ATOM 584 C PRO A 37 -9.606 1.354 -5.289 1.00 9.85 C ATOM 585 O PRO A 37 -9.769 1.696 -4.080 1.00 8.51 O ATOM 586 CB PRO A 37 -12.059 1.092 -6.057 1.00 11.42 C ATOM 587 CG PRO A 37 -13.040 -0.054 -6.065 1.00 9.27 C ATOM 588 CD PRO A 37 -12.435 -1.045 -5.111 1.00 8.33 C ATOM 0 HA PRO A 37 -10.182 0.341 -6.948 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.239 1.750 -5.207 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.163 1.698 -6.957 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.030 0.264 -5.738 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.154 -0.477 -7.063 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.748 -0.860 -4.084 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.724 -2.068 -5.353 1.00 8.33 H new ATOM 596 N PRO A 38 -8.515 1.936 -5.991 1.00 8.71 N ATOM 597 CA PRO A 38 -7.496 2.765 -5.349 1.00 9.08 C ATOM 598 C PRO A 38 -8.015 3.989 -4.658 1.00 9.28 C ATOM 599 O PRO A 38 -7.491 4.285 -3.606 1.00 6.50 O ATOM 600 CB PRO A 38 -6.562 3.126 -6.435 1.00 10.31 C ATOM 601 CG PRO A 38 -6.517 1.818 -7.199 1.00 10.81 C ATOM 602 CD PRO A 38 -7.991 1.401 -7.267 1.00 12.00 C ATOM 0 HA PRO A 38 -7.029 2.204 -4.539 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.932 3.951 -7.044 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.582 3.422 -6.059 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.089 1.947 -8.193 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.911 1.072 -6.685 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.498 1.832 -8.130 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.107 0.319 -7.336 1.00 12.00 H new ATOM 610 N ASP A 39 -9.035 4.710 -5.123 1.00 11.20 N ATOM 611 CA ASP A 39 -9.565 5.749 -4.245 1.00 14.96 C ATOM 612 C ASP A 39 -10.076 5.378 -2.841 1.00 13.99 C ATOM 613 O ASP A 39 -10.074 6.195 -1.910 1.00 13.75 O ATOM 614 CB ASP A 39 -10.540 6.630 -5.025 1.00 24.16 C ATOM 615 CG ASP A 39 -9.955 7.214 -6.332 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.133 8.168 -6.198 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.326 6.858 -7.427 1.00 35.55 O ATOM 0 H ASP A 39 -9.483 4.608 -6.034 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.673 6.302 -3.951 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.428 6.046 -5.266 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.863 7.451 -4.385 1.00 24.16 H new ATOM 622 N GLN A 40 -10.482 4.124 -2.643 1.00 11.60 N ATOM 623 CA GLN A 40 -10.687 3.591 -1.281 1.00 10.76 C ATOM 624 C GLN A 40 -9.492 3.376 -0.443 1.00 8.01 C ATOM 625 O GLN A 40 -9.512 3.630 0.772 1.00 8.96 O ATOM 626 CB GLN A 40 -11.345 2.197 -1.339 1.00 11.14 C ATOM 627 CG GLN A 40 -12.726 2.271 -2.037 1.00 14.85 C ATOM 628 CD GLN A 40 -13.438 0.922 -1.974 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.892 -0.097 -1.496 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.720 0.865 -2.315 1.00 18.16 N ATOM 0 H GLN A 40 -10.675 3.460 -3.392 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.287 4.382 -0.831 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.697 1.506 -1.877 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.463 1.803 -0.330 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.340 3.034 -1.559 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.597 2.571 -3.077 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.181 1.687 -2.706 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.244 -0.000 -2.186 1.00 18.16 H new ATOM 639 N GLN A 41 -8.423 2.869 -1.039 1.00 6.52 N ATOM 640 CA GLN A 41 -7.261 2.372 -0.315 1.00 3.87 C ATOM 641 C GLN A 41 -6.351 3.422 0.348 1.00 4.79 C ATOM 642 O GLN A 41 -5.798 4.332 -0.287 1.00 6.34 O ATOM 643 CB GLN A 41 -6.459 1.565 -1.358 1.00 4.20 C ATOM 644 CG GLN A 41 -7.187 0.313 -1.925 1.00 3.20 C ATOM 645 CD GLN A 41 -6.205 -0.549 -2.801 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.105 -0.949 -2.428 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.608 -0.726 -4.082 1.00 7.13 N ATOM 0 H GLN A 41 -8.337 2.790 -2.052 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.621 1.797 0.538 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.204 2.225 -2.187 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.520 1.246 -0.905 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.576 -0.290 -1.105 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.042 0.624 -2.526 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.524 -0.389 -4.380 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.996 -1.196 -4.749 1.00 7.13 H new ATOM 656 N ARG A 42 -6.177 3.319 1.696 1.00 5.73 N ATOM 657 CA ARG A 42 -5.217 4.087 2.439 1.00 6.97 C ATOM 658 C ARG A 42 -4.100 3.058 2.966 1.00 7.15 C ATOM 659 O ARG A 42 -4.407 1.986 3.464 1.00 7.33 O ATOM 660 CB ARG A 42 -5.810 4.849 3.625 1.00 13.23 C ATOM 661 CG ARG A 42 -6.690 6.075 3.256 1.00 21.27 C ATOM 662 CD ARG A 42 -7.564 6.615 4.372 1.00 26.14 C ATOM 663 NE ARG A 42 -8.359 7.786 3.815 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.001 8.613 4.619 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.430 8.278 5.857 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.293 9.836 4.210 1.00 36.39 N ATOM 0 H ARG A 42 -6.723 2.682 2.277 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.809 4.851 1.777 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.410 4.157 4.216 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.993 5.188 4.262 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.038 6.877 2.910 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.330 5.801 2.418 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.235 5.839 4.741 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.952 6.935 5.215 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.397 7.934 2.807 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.262 7.339 6.218 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.921 8.964 6.430 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.022 10.139 3.274 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.789 10.476 4.830 1.00 36.39 H new ATOM 680 N LEU A 43 -2.815 3.317 2.689 1.00 4.65 N ATOM 681 CA LEU A 43 -1.743 2.455 3.091 1.00 3.51 C ATOM 682 C LEU A 43 -1.018 3.249 4.136 1.00 5.56 C ATOM 683 O LEU A 43 -0.731 4.427 4.007 1.00 4.19 O ATOM 684 CB LEU A 43 -0.787 1.999 1.983 1.00 3.74 C ATOM 685 CG LEU A 43 -1.452 1.133 0.918 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.476 0.803 -0.195 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.123 -0.176 1.395 1.00 6.41 C ATOM 0 H LEU A 43 -2.509 4.143 2.174 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.152 1.507 3.440 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.353 2.877 1.505 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.035 1.441 2.431 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.271 1.763 0.572 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.972 0.185 -0.943 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.129 1.726 -0.660 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.375 0.261 0.217 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.556 -0.695 0.540 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.378 -0.815 1.868 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.909 0.059 2.113 1.00 6.41 H new ATOM 699 N ILE A 44 -0.761 2.597 5.314 1.00 4.58 N ATOM 700 CA ILE A 44 -0.289 3.289 6.481 1.00 5.55 C ATOM 701 C ILE A 44 0.803 2.389 7.007 1.00 5.46 C ATOM 702 O ILE A 44 0.745 1.199 7.244 1.00 6.04 O ATOM 703 CB ILE A 44 -1.383 3.560 7.596 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.659 4.252 7.048 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.740 4.516 8.642 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.882 4.547 7.944 1.00 13.90 C ATOM 0 H ILE A 44 -0.884 1.593 5.444 1.00 4.58 H new ATOM 0 HA ILE A 44 0.038 4.294 6.216 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.686 2.599 8.011 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.342 5.206 6.626 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.017 3.640 6.220 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.461 4.730 9.431 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.141 4.042 9.075 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.449 5.446 8.154 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.657 5.034 7.353 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.269 3.613 8.350 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.584 5.203 8.762 1.00 13.90 H new ATOM 718 N PHE A 45 1.992 2.961 7.238 1.00 6.75 N ATOM 719 CA PHE A 45 3.181 2.295 7.714 1.00 4.70 C ATOM 720 C PHE A 45 4.080 3.245 8.551 1.00 6.34 C ATOM 721 O PHE A 45 4.402 4.366 8.090 1.00 5.45 O ATOM 722 CB PHE A 45 3.893 1.776 6.459 1.00 5.51 C ATOM 723 CG PHE A 45 5.279 1.322 6.753 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.447 0.133 7.489 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.320 2.123 6.428 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.762 -0.267 7.827 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.653 1.684 6.736 1.00 6.64 C ATOM 728 CZ PHE A 45 7.873 0.497 7.385 1.00 6.84 C ATOM 0 H PHE A 45 2.144 3.958 7.085 1.00 6.75 H new ATOM 0 HA PHE A 45 2.937 1.477 8.392 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.323 0.950 6.034 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.921 2.564 5.706 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.594 -0.458 7.788 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.152 3.075 5.946 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.920 -1.154 8.422 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.494 2.299 6.452 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.880 0.147 7.558 1.00 6.84 H new ATOM 738 N ALA A 46 4.548 2.848 9.766 1.00 6.53 N ATOM 739 CA ALA A 46 5.236 3.719 10.682 1.00 7.15 C ATOM 740 C ALA A 46 4.533 5.003 11.056 1.00 9.00 C ATOM 741 O ALA A 46 5.121 6.043 11.312 1.00 11.15 O ATOM 742 CB ALA A 46 6.692 4.062 10.173 1.00 8.99 C ATOM 0 H ALA A 46 4.442 1.895 10.115 1.00 6.53 H new ATOM 0 HA ALA A 46 5.264 3.126 11.596 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.182 4.722 10.889 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.269 3.142 10.073 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.631 4.559 9.205 1.00 8.99 H new ATOM 748 N GLY A 47 3.206 4.928 11.145 1.00 9.35 N ATOM 749 CA GLY A 47 2.224 6.042 11.313 1.00 11.68 C ATOM 750 C GLY A 47 2.028 6.901 10.094 1.00 11.14 C ATOM 751 O GLY A 47 1.223 7.844 10.134 1.00 13.93 O ATOM 0 H GLY A 47 2.735 4.024 11.100 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.262 5.619 11.600 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.552 6.675 12.137 1.00 11.68 H new ATOM 755 N LYS A 48 2.755 6.604 8.997 1.00 10.47 N ATOM 756 CA LYS A 48 2.762 7.422 7.799 1.00 8.82 C ATOM 757 C LYS A 48 1.717 6.956 6.837 1.00 7.68 C ATOM 758 O LYS A 48 1.693 5.826 6.312 1.00 6.47 O ATOM 759 CB LYS A 48 4.196 7.405 7.171 1.00 9.74 C ATOM 760 CG LYS A 48 5.231 7.968 8.198 1.00 14.14 C ATOM 761 CD LYS A 48 6.642 7.653 7.743 1.00 16.32 C ATOM 762 CE LYS A 48 7.752 8.005 8.743 1.00 20.04 C ATOM 763 NZ LYS A 48 9.049 7.703 8.063 1.00 23.92 N ATOM 0 H LYS A 48 3.353 5.780 8.932 1.00 10.47 H new ATOM 0 HA LYS A 48 2.515 8.453 8.053 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.467 6.388 6.888 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.211 8.004 6.260 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.105 9.046 8.299 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.052 7.533 9.181 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.704 6.588 7.518 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.833 8.187 6.812 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.699 9.056 9.027 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.649 7.422 9.658 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.837 7.926 8.704 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.082 6.694 7.811 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.131 8.278 7.200 1.00 23.92 H new ATOM 777 N GLN A 49 0.780 7.841 6.494 1.00 8.89 N ATOM 778 CA GLN A 49 -0.249 7.595 5.499 1.00 7.18 C ATOM 779 C GLN A 49 0.169 7.918 4.060 1.00 8.23 C ATOM 780 O GLN A 49 0.162 9.067 3.608 1.00 9.70 O ATOM 781 CB GLN A 49 -1.571 8.239 5.866 1.00 11.67 C ATOM 782 CG GLN A 49 -2.645 7.725 4.972 1.00 15.82 C ATOM 783 CD GLN A 49 -4.022 8.013 5.592 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.642 7.033 6.006 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.549 9.240 5.604 1.00 20.67 N ATOM 0 H GLN A 49 0.719 8.769 6.914 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.395 6.515 5.514 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.816 8.023 6.906 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.496 9.323 5.775 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.572 8.197 3.992 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.522 6.653 4.820 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.008 10.031 5.254 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.492 9.386 5.964 1.00 20.67 H new ATOM 794 N LEU A 50 0.679 6.847 3.363 1.00 6.51 N ATOM 795 CA LEU A 50 1.498 6.788 2.125 1.00 7.41 C ATOM 796 C LEU A 50 0.898 7.465 0.912 1.00 8.27 C ATOM 797 O LEU A 50 -0.171 7.166 0.416 1.00 8.34 O ATOM 798 CB LEU A 50 2.026 5.308 1.748 1.00 7.13 C ATOM 799 CG LEU A 50 2.522 4.533 2.956 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.963 3.179 2.539 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.675 5.304 3.641 1.00 9.11 C ATOM 0 H LEU A 50 0.498 5.903 3.704 1.00 6.51 H new ATOM 0 HA LEU A 50 2.365 7.386 2.406 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.220 4.751 1.271 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.832 5.390 1.019 1.00 7.13 H new ATOM 0 HG LEU A 50 1.710 4.424 3.675 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.318 2.628 3.410 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.125 2.646 2.089 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.770 3.267 1.812 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.025 4.741 4.507 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.496 5.433 2.936 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.317 6.282 3.964 1.00 9.11 H new ATOM 813 N GLU A 51 1.567 8.521 0.439 1.00 9.43 N ATOM 814 CA GLU A 51 1.079 9.260 -0.654 1.00 11.90 C ATOM 815 C GLU A 51 1.334 8.711 -2.032 1.00 11.49 C ATOM 816 O GLU A 51 2.337 8.100 -2.206 1.00 9.88 O ATOM 817 CB GLU A 51 1.580 10.706 -0.611 1.00 16.56 C ATOM 818 CG GLU A 51 0.967 11.558 0.543 1.00 26.06 C ATOM 819 CD GLU A 51 1.621 12.891 0.760 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.621 13.191 0.052 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.172 13.687 1.648 1.00 32.13 O ATOM 0 H GLU A 51 2.450 8.859 0.821 1.00 9.43 H new ATOM 0 HA GLU A 51 0.000 9.190 -0.513 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.665 10.700 -0.507 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.353 11.186 -1.563 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.091 11.718 0.334 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.026 10.986 1.469 1.00 26.06 H new ATOM 828 N ASP A 52 0.455 8.838 -2.998 1.00 12.71 N ATOM 829 CA ASP A 52 0.464 8.076 -4.190 1.00 16.56 C ATOM 830 C ASP A 52 1.677 8.269 -5.141 1.00 15.83 C ATOM 831 O ASP A 52 2.142 7.276 -5.689 1.00 17.21 O ATOM 832 CB ASP A 52 -0.766 8.572 -5.038 1.00 21.05 C ATOM 833 CG ASP A 52 -1.990 8.498 -4.256 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.333 7.339 -3.880 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.597 9.530 -3.876 1.00 28.37 O ATOM 0 H ASP A 52 -0.312 9.509 -2.957 1.00 12.71 H new ATOM 0 HA ASP A 52 0.471 7.036 -3.862 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.599 9.598 -5.365 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.865 7.963 -5.936 1.00 21.05 H new ATOM 840 N GLY A 53 2.288 9.456 -5.221 1.00 15.00 N ATOM 841 CA GLY A 53 3.383 9.806 -6.143 1.00 11.77 C ATOM 842 C GLY A 53 4.759 9.683 -5.519 1.00 11.10 C ATOM 843 O GLY A 53 5.795 10.113 -6.074 1.00 11.25 O ATOM 0 H GLY A 53 2.024 10.236 -4.620 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.331 9.160 -7.019 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.241 10.829 -6.492 1.00 11.77 H new ATOM 847 N ARG A 54 4.814 9.034 -4.339 1.00 8.53 N ATOM 848 CA ARG A 54 6.033 8.711 -3.652 1.00 9.05 C ATOM 849 C ARG A 54 6.418 7.318 -4.028 1.00 8.96 C ATOM 850 O ARG A 54 5.583 6.470 -4.412 1.00 11.60 O ATOM 851 CB ARG A 54 5.796 8.682 -2.152 1.00 7.97 C ATOM 852 CG ARG A 54 5.049 9.868 -1.575 1.00 9.62 C ATOM 853 CD ARG A 54 5.844 11.223 -1.697 1.00 12.20 C ATOM 854 NE ARG A 54 5.125 12.284 -0.996 1.00 18.23 N ATOM 855 CZ ARG A 54 5.744 13.357 -0.471 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.044 13.526 -0.652 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.972 14.316 0.165 1.00 23.38 N ATOM 0 H ARG A 54 3.979 8.722 -3.844 1.00 8.53 H new ATOM 0 HA ARG A 54 6.791 9.449 -3.913 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.242 7.775 -1.909 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.762 8.608 -1.653 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.091 9.969 -2.086 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.831 9.676 -0.524 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.843 11.108 -1.276 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.969 11.488 -2.747 1.00 12.20 H new ATOM 0 HE ARG A 54 4.112 12.208 -0.901 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.577 12.843 -1.190 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.513 14.340 -0.254 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.961 14.198 0.226 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.415 15.140 0.572 1.00 23.38 H new ATOM 871 N THR A 55 7.721 7.012 -3.908 1.00 9.05 N ATOM 872 CA THR A 55 8.159 5.608 -4.054 1.00 9.03 C ATOM 873 C THR A 55 8.239 4.959 -2.737 1.00 8.15 C ATOM 874 O THR A 55 8.327 5.596 -1.689 1.00 5.91 O ATOM 875 CB THR A 55 9.496 5.424 -4.703 1.00 11.15 C ATOM 876 OG1 THR A 55 10.438 6.209 -4.065 1.00 11.95 O ATOM 877 CG2 THR A 55 9.550 5.893 -6.189 1.00 11.71 C ATOM 0 H THR A 55 8.464 7.684 -3.718 1.00 9.05 H new ATOM 0 HA THR A 55 7.406 5.162 -4.703 1.00 9.03 H new ATOM 0 HB THR A 55 9.687 4.353 -4.640 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.257 5.689 -3.925 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.551 5.727 -6.587 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.827 5.326 -6.776 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.309 6.955 -6.244 1.00 11.71 H new ATOM 885 N LEU A 56 8.204 3.670 -2.651 1.00 6.91 N ATOM 886 CA LEU A 56 8.549 2.831 -1.524 1.00 8.29 C ATOM 887 C LEU A 56 9.924 3.174 -0.860 1.00 8.05 C ATOM 888 O LEU A 56 10.191 3.287 0.322 1.00 10.17 O ATOM 889 CB LEU A 56 8.501 1.312 -1.886 1.00 6.60 C ATOM 890 CG LEU A 56 7.137 0.799 -2.238 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.217 -0.514 -2.981 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.283 0.514 -0.983 1.00 8.64 C ATOM 0 H LEU A 56 7.902 3.109 -3.447 1.00 6.91 H new ATOM 0 HA LEU A 56 7.780 3.050 -0.784 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.171 1.130 -2.726 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.884 0.738 -1.042 1.00 6.60 H new ATOM 0 HG LEU A 56 6.686 1.581 -2.849 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.211 -0.858 -3.221 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.783 -0.377 -3.902 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.715 -1.256 -2.356 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.303 0.144 -1.286 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.780 -0.236 -0.368 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.163 1.433 -0.409 1.00 8.64 H new ATOM 904 N SER A 57 10.938 3.398 -1.759 1.00 8.92 N ATOM 905 CA SER A 57 12.260 3.879 -1.401 1.00 9.00 C ATOM 906 C SER A 57 12.321 5.229 -0.706 1.00 9.44 C ATOM 907 O SER A 57 13.035 5.426 0.262 1.00 10.91 O ATOM 908 CB SER A 57 13.198 4.024 -2.667 1.00 10.32 C ATOM 909 OG SER A 57 12.533 4.515 -3.837 1.00 13.59 O ATOM 0 H SER A 57 10.828 3.238 -2.760 1.00 8.92 H new ATOM 0 HA SER A 57 12.589 3.110 -0.702 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.020 4.696 -2.421 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.637 3.052 -2.893 1.00 10.32 H new ATOM 0 HG SER A 57 12.008 3.793 -4.242 1.00 13.59 H new ATOM 915 N ASP A 58 11.561 6.200 -1.187 1.00 9.11 N ATOM 916 CA ASP A 58 11.397 7.502 -0.542 1.00 7.91 C ATOM 917 C ASP A 58 10.935 7.365 0.935 1.00 9.12 C ATOM 918 O ASP A 58 11.227 8.226 1.775 1.00 8.61 O ATOM 919 CB ASP A 58 10.440 8.344 -1.361 1.00 8.41 C ATOM 920 CG ASP A 58 10.504 9.789 -1.082 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.592 10.403 -1.189 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.439 10.357 -0.758 1.00 10.05 O ATOM 0 H ASP A 58 11.029 6.108 -2.052 1.00 9.11 H new ATOM 0 HA ASP A 58 12.364 8.003 -0.505 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.647 8.182 -2.419 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.423 7.996 -1.179 1.00 8.41 H new ATOM 927 N TYR A 59 10.102 6.319 1.221 1.00 7.97 N ATOM 928 CA TYR A 59 9.565 6.058 2.570 1.00 8.45 C ATOM 929 C TYR A 59 10.489 5.045 3.281 1.00 10.98 C ATOM 930 O TYR A 59 10.193 4.718 4.454 1.00 12.95 O ATOM 931 CB TYR A 59 8.074 5.518 2.366 1.00 7.94 C ATOM 932 CG TYR A 59 7.113 6.639 2.271 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.956 7.628 3.303 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.163 6.629 1.219 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.935 8.605 3.222 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.139 7.574 1.237 1.00 6.52 C ATOM 937 CZ TYR A 59 4.989 8.546 2.217 1.00 6.76 C ATOM 938 OH TYR A 59 3.922 9.439 2.130 1.00 7.63 O ATOM 0 H TYR A 59 9.793 5.645 0.520 1.00 7.97 H new ATOM 0 HA TYR A 59 9.533 6.945 3.202 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.023 4.913 1.461 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.801 4.870 3.199 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.625 7.625 4.150 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.231 5.905 0.421 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.895 9.401 3.950 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.415 7.549 0.436 1.00 6.52 H new ATOM 0 HH TYR A 59 4.128 10.131 1.468 1.00 7.63 H new ATOM 948 N ASN A 60 11.558 4.530 2.619 1.00 12.38 N ATOM 949 CA ASN A 60 12.594 3.597 3.076 1.00 13.94 C ATOM 950 C ASN A 60 12.015 2.252 3.517 1.00 14.16 C ATOM 951 O ASN A 60 12.471 1.572 4.451 1.00 14.26 O ATOM 952 CB ASN A 60 13.429 4.163 4.198 1.00 19.23 C ATOM 953 CG ASN A 60 14.250 5.373 3.713 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.980 6.568 3.829 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.452 5.091 3.092 1.00 24.09 N ATOM 0 H ASN A 60 11.723 4.794 1.648 1.00 12.38 H new ATOM 0 HA ASN A 60 13.234 3.439 2.208 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.782 4.464 5.022 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.099 3.394 4.582 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.048 5.852 2.765 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.743 4.122 2.960 1.00 24.09 H new ATOM 962 N ILE A 61 10.956 1.786 2.848 1.00 11.08 N ATOM 963 CA ILE A 61 10.344 0.472 2.958 1.00 11.78 C ATOM 964 C ILE A 61 11.276 -0.612 2.493 1.00 13.74 C ATOM 965 O ILE A 61 11.914 -0.482 1.425 1.00 14.60 O ATOM 966 CB ILE A 61 8.961 0.467 2.324 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.060 1.448 3.117 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.352 -0.990 2.406 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.658 1.809 2.465 1.00 11.42 C ATOM 0 H ILE A 61 10.472 2.368 2.164 1.00 11.08 H new ATOM 0 HA ILE A 61 10.171 0.237 4.008 1.00 11.78 H new ATOM 0 HB ILE A 61 9.022 0.771 1.279 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.878 1.022 4.103 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.615 2.374 3.268 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.361 -0.996 1.952 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.000 -1.686 1.872 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.275 -1.294 3.450 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.123 2.502 3.114 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.818 2.273 1.492 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.070 0.900 2.341 1.00 11.42 H new ATOM 981 N GLN A 62 11.420 -1.637 3.364 1.00 13.97 N ATOM 982 CA GLN A 62 12.364 -2.686 3.184 1.00 15.52 C ATOM 983 C GLN A 62 11.720 -3.953 2.676 1.00 13.94 C ATOM 984 O GLN A 62 10.492 -4.134 2.743 1.00 12.15 O ATOM 985 CB GLN A 62 13.019 -3.012 4.612 1.00 19.53 C ATOM 986 CG GLN A 62 13.798 -1.823 5.169 1.00 26.38 C ATOM 987 CD GLN A 62 14.946 -1.391 4.236 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.984 -2.115 4.152 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.837 -0.162 3.604 1.00 32.71 N ATOM 0 H GLN A 62 10.861 -1.730 4.212 1.00 13.97 H new ATOM 0 HA GLN A 62 13.100 -2.357 2.450 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.235 -3.293 5.315 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.685 -3.870 4.518 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.119 -0.984 5.319 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.205 -2.083 6.146 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.982 0.387 3.700 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.611 0.194 3.043 1.00 32.71 H new ATOM 998 N LYS A 63 12.559 -4.899 2.346 1.00 11.73 N ATOM 999 CA LYS A 63 12.179 -6.317 2.203 1.00 11.97 C ATOM 1000 C LYS A 63 11.615 -6.954 3.505 1.00 10.41 C ATOM 1001 O LYS A 63 12.084 -6.741 4.640 1.00 9.59 O ATOM 1002 CB LYS A 63 13.355 -7.209 1.792 1.00 13.73 C ATOM 1003 CG LYS A 63 14.596 -7.138 2.659 1.00 16.98 C ATOM 1004 CD LYS A 63 15.696 -8.102 2.147 1.00 20.19 C ATOM 1005 CE LYS A 63 16.920 -8.287 3.009 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.399 -6.993 3.280 1.00 25.97 N ATOM 0 H LYS A 63 13.547 -4.723 2.162 1.00 11.73 H new ATOM 0 HA LYS A 63 11.411 -6.282 1.431 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.009 -8.243 1.776 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.637 -6.952 0.771 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.979 -6.117 2.667 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.339 -7.390 3.688 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.241 -9.081 1.996 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.024 -7.748 1.170 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.673 -8.813 3.931 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.674 -8.883 2.494 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.381 -7.050 3.617 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.364 -6.421 2.412 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.807 -6.550 4.011 1.00 25.97 H new ATOM 1020 N GLU A 64 10.430 -7.638 3.259 1.00 10.04 N ATOM 1021 CA GLU A 64 9.647 -8.363 4.269 1.00 10.94 C ATOM 1022 C GLU A 64 9.151 -7.401 5.318 1.00 9.74 C ATOM 1023 O GLU A 64 8.953 -7.745 6.510 1.00 9.42 O ATOM 1024 CB GLU A 64 10.412 -9.549 4.915 1.00 18.31 C ATOM 1025 CG GLU A 64 10.788 -10.668 3.938 1.00 24.16 C ATOM 1026 CD GLU A 64 11.486 -11.846 4.536 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.318 -11.665 5.418 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.248 -13.048 4.096 1.00 31.72 O ATOM 0 H GLU A 64 10.012 -7.683 2.330 1.00 10.04 H new ATOM 0 HA GLU A 64 8.798 -8.811 3.752 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.322 -9.169 5.380 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.799 -9.970 5.712 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.879 -11.018 3.449 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.426 -10.247 3.161 1.00 24.16 H new ATOM 1035 N SER A 65 8.803 -6.192 4.889 1.00 6.85 N ATOM 1036 CA SER A 65 8.148 -5.272 5.769 1.00 6.90 C ATOM 1037 C SER A 65 6.638 -5.411 5.699 1.00 4.72 C ATOM 1038 O SER A 65 6.085 -5.915 4.694 1.00 3.91 O ATOM 1039 CB SER A 65 8.379 -3.832 5.348 1.00 7.28 C ATOM 1040 OG SER A 65 7.936 -2.826 6.241 1.00 10.56 O ATOM 0 H SER A 65 8.968 -5.843 3.945 1.00 6.85 H new ATOM 0 HA SER A 65 8.553 -5.498 6.756 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.448 -3.694 5.184 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.886 -3.675 4.389 1.00 7.28 H new ATOM 0 HG SER A 65 8.139 -1.943 5.866 1.00 10.56 H new ATOM 1046 N THR A 66 5.883 -5.096 6.781 1.00 4.48 N ATOM 1047 CA THR A 66 4.379 -5.294 6.917 1.00 3.80 C ATOM 1048 C THR A 66 3.782 -3.968 6.947 1.00 4.60 C ATOM 1049 O THR A 66 4.171 -3.168 7.785 1.00 5.33 O ATOM 1050 CB THR A 66 3.889 -6.235 7.994 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.548 -7.506 7.823 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.378 -6.392 7.972 1.00 3.40 C ATOM 0 H THR A 66 6.295 -4.684 7.618 1.00 4.48 H new ATOM 0 HA THR A 66 4.038 -5.859 6.049 1.00 3.80 H new ATOM 0 HB THR A 66 4.135 -5.817 8.970 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.242 -8.129 8.515 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.072 -7.077 8.763 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.909 -5.421 8.131 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.068 -6.791 7.006 1.00 3.40 H new ATOM 1060 N LEU A 67 2.859 -3.687 6.007 1.00 4.17 N ATOM 1061 CA LEU A 67 2.413 -2.352 5.765 1.00 3.85 C ATOM 1062 C LEU A 67 0.893 -2.477 6.031 1.00 3.80 C ATOM 1063 O LEU A 67 0.254 -3.525 5.884 1.00 5.54 O ATOM 1064 CB LEU A 67 2.629 -1.829 4.312 1.00 7.18 C ATOM 1065 CG LEU A 67 4.048 -2.036 3.747 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.133 -1.713 2.258 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.088 -1.319 4.531 1.00 11.66 C ATOM 0 H LEU A 67 2.421 -4.391 5.413 1.00 4.17 H new ATOM 0 HA LEU A 67 2.967 -1.643 6.381 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.917 -2.326 3.654 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.397 -0.764 4.287 1.00 7.18 H new ATOM 0 HG LEU A 67 4.260 -3.100 3.852 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.153 -1.875 1.908 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.453 -2.361 1.706 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.854 -0.672 2.095 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.067 -1.500 4.088 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.878 -0.249 4.522 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.082 -1.681 5.559 1.00 11.66 H new ATOM 1079 N HIS A 68 0.220 -1.447 6.532 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.258 -1.542 6.903 1.00 4.17 C ATOM 1081 C HIS A 68 -2.227 -0.940 5.880 1.00 5.32 C ATOM 1082 O HIS A 68 -2.166 0.224 5.529 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.519 -0.918 8.284 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.513 -1.235 9.347 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.526 -0.385 9.716 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.421 -2.297 10.143 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.164 -0.958 10.683 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.693 -2.140 10.976 1.00 16.30 N ATOM 0 H HIS A 68 0.635 -0.531 6.703 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.464 -2.612 6.919 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.567 0.165 8.168 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.499 -1.246 8.630 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.743 0.521 9.301 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.095 -3.141 10.146 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.000 -0.506 11.196 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.192 -1.764 5.387 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.178 -1.332 4.430 1.00 3.97 C ATOM 1098 C LEU A 69 -5.465 -0.981 5.188 1.00 5.07 C ATOM 1099 O LEU A 69 -6.079 -1.826 5.891 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.361 -2.300 3.305 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.546 -2.019 2.324 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.728 -0.548 1.871 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.427 -2.945 1.110 1.00 9.96 C ATOM 0 H LEU A 69 -3.285 -2.743 5.660 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.832 -0.432 3.921 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.438 -2.327 2.725 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.499 -3.294 3.730 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.448 -2.226 2.899 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.579 -0.478 1.194 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.905 0.082 2.743 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.828 -0.211 1.357 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.251 -2.752 0.423 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.481 -2.759 0.602 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.464 -3.983 1.439 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.967 0.268 5.035 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.148 0.860 5.685 1.00 6.26 C ATOM 1117 C VAL A 70 -8.040 1.453 4.632 1.00 9.22 C ATOM 1118 O VAL A 70 -7.702 2.361 3.857 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.872 1.930 6.709 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.198 2.682 7.215 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.200 1.284 7.916 1.00 8.54 C ATOM 0 H VAL A 70 -5.519 0.933 4.405 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.608 0.035 6.228 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.236 2.675 6.231 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.928 3.440 7.951 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.692 3.158 6.368 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.875 1.959 7.670 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.993 2.045 8.668 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.861 0.527 8.338 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.265 0.817 7.605 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.271 0.971 4.550 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.211 1.439 3.549 1.00 16.06 C ATOM 1133 C LEU A 71 -11.139 2.646 3.858 1.00 18.09 C ATOM 1134 O LEU A 71 -11.910 2.614 4.839 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.062 0.299 2.984 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.215 -0.904 2.435 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.119 -2.149 2.288 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.492 -0.575 1.140 1.00 19.57 C ATOM 0 H LEU A 71 -9.642 0.251 5.170 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.506 1.844 2.824 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.731 -0.065 3.764 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.689 0.688 2.181 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.429 -1.119 3.159 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.530 -2.983 1.907 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.536 -2.413 3.260 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.930 -1.930 1.593 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.924 -1.444 0.810 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.220 -0.305 0.375 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.813 0.261 1.305 1.00 19.57 H new