USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 571 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0922) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -12:sc= 1.02 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.06) USER MOD Single : A 17 GLN : amide:sc= -0.952 K(o=-0.95,f=-3.1!) USER MOD Single : A 18 ASN : amide:sc= -0.333 K(o=-0.33,f=-0.96) USER MOD Single : A 19 MET CE :methyl -162:sc= -0.0898 (180deg=-0.492) USER MOD Single : A 26 LYS NZ :NH3+ -169:sc=-0.00453 (180deg=-0.115) USER MOD Single : A 27 THR OG1 : rot 75:sc= 1.69 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 49 HIS : no HE2:sc= 0.634 K(o=0.63,f=-2.1!) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00433) USER MOD Single : A 58 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= -0.0111 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.162 5.532 -8.968 1.00 74.44 N ATOM 2 CA MET A 1 -17.220 4.466 -8.523 1.00 11.23 C ATOM 3 C MET A 1 -16.383 4.922 -7.315 1.00 53.03 C ATOM 4 O MET A 1 -15.396 5.642 -7.469 1.00 52.20 O ATOM 5 CB MET A 1 -16.287 4.062 -9.676 1.00 1.43 C ATOM 6 CG MET A 1 -17.019 3.560 -10.913 1.00 32.04 C ATOM 7 SD MET A 1 -18.132 2.187 -10.552 1.00 70.21 S ATOM 8 CE MET A 1 -18.835 1.884 -12.173 1.00 20.42 C ATOM 0 H1 MET A 1 -18.803 5.149 -9.692 1.00 74.44 H new ATOM 0 H2 MET A 1 -18.718 5.865 -8.155 1.00 74.44 H new ATOM 0 H3 MET A 1 -17.623 6.327 -9.368 1.00 74.44 H new ATOM 0 HA MET A 1 -17.816 3.605 -8.220 1.00 11.23 H new ATOM 0 HB2 MET A 1 -15.673 4.920 -9.952 1.00 1.43 H new ATOM 0 HB3 MET A 1 -15.609 3.284 -9.326 1.00 1.43 H new ATOM 0 HG2 MET A 1 -17.589 4.379 -11.351 1.00 32.04 H new ATOM 0 HG3 MET A 1 -16.290 3.245 -11.659 1.00 32.04 H new ATOM 0 HE1 MET A 1 -19.546 1.060 -12.113 1.00 20.42 H new ATOM 0 HE2 MET A 1 -19.348 2.781 -12.520 1.00 20.42 H new ATOM 0 HE3 MET A 1 -18.039 1.627 -12.872 1.00 20.42 H new ATOM 20 N SER A 2 -16.787 4.503 -6.115 1.00 14.21 N ATOM 21 CA SER A 2 -16.073 4.877 -4.881 1.00 1.10 C ATOM 22 C SER A 2 -16.278 3.827 -3.782 1.00 51.04 C ATOM 23 O SER A 2 -17.248 3.887 -3.022 1.00 33.42 O ATOM 24 CB SER A 2 -16.537 6.255 -4.382 1.00 13.24 C ATOM 25 OG SER A 2 -15.896 6.612 -3.166 1.00 3.20 O ATOM 0 H SER A 2 -17.601 3.907 -5.965 1.00 14.21 H new ATOM 0 HA SER A 2 -15.010 4.925 -5.117 1.00 1.10 H new ATOM 0 HB2 SER A 2 -16.325 7.008 -5.141 1.00 13.24 H new ATOM 0 HB3 SER A 2 -17.617 6.245 -4.236 1.00 13.24 H new ATOM 0 HG SER A 2 -16.211 7.493 -2.876 1.00 3.20 H new ATOM 31 N GLU A 3 -15.367 2.857 -3.718 1.00 61.11 N ATOM 32 CA GLU A 3 -15.455 1.757 -2.746 1.00 71.24 C ATOM 33 C GLU A 3 -14.225 0.838 -2.837 1.00 63.33 C ATOM 34 O GLU A 3 -13.262 1.153 -3.535 1.00 34.12 O ATOM 35 CB GLU A 3 -16.740 0.944 -2.972 1.00 25.44 C ATOM 36 CG GLU A 3 -16.840 0.297 -4.352 1.00 74.14 C ATOM 37 CD GLU A 3 -18.167 -0.418 -4.558 1.00 15.30 C ATOM 38 OE1 GLU A 3 -18.300 -1.576 -4.109 1.00 41.43 O ATOM 39 OE2 GLU A 3 -19.084 0.180 -5.157 1.00 55.23 O ATOM 0 H GLU A 3 -14.553 2.807 -4.330 1.00 61.11 H new ATOM 0 HA GLU A 3 -15.482 2.193 -1.747 1.00 71.24 H new ATOM 0 HB2 GLU A 3 -16.801 0.164 -2.213 1.00 25.44 H new ATOM 0 HB3 GLU A 3 -17.600 1.598 -2.827 1.00 25.44 H new ATOM 0 HG2 GLU A 3 -16.719 1.062 -5.119 1.00 74.14 H new ATOM 0 HG3 GLU A 3 -16.023 -0.414 -4.478 1.00 74.14 H new ATOM 46 N SER A 4 -14.268 -0.292 -2.120 1.00 34.23 N ATOM 47 CA SER A 4 -13.175 -1.290 -2.106 1.00 72.12 C ATOM 48 C SER A 4 -11.813 -0.663 -1.762 1.00 21.55 C ATOM 49 O SER A 4 -10.783 -1.084 -2.277 1.00 31.15 O ATOM 50 CB SER A 4 -13.085 -2.037 -3.456 1.00 71.23 C ATOM 51 OG SER A 4 -12.570 -1.215 -4.498 1.00 0.53 O ATOM 0 H SER A 4 -15.060 -0.546 -1.530 1.00 34.23 H new ATOM 0 HA SER A 4 -13.420 -2.004 -1.320 1.00 72.12 H new ATOM 0 HB2 SER A 4 -12.449 -2.914 -3.341 1.00 71.23 H new ATOM 0 HB3 SER A 4 -14.075 -2.396 -3.736 1.00 71.23 H new ATOM 0 HG SER A 4 -12.560 -0.281 -4.203 1.00 0.53 H new ATOM 57 N ILE A 5 -11.812 0.306 -0.842 1.00 42.54 N ATOM 58 CA ILE A 5 -10.591 1.056 -0.489 1.00 64.53 C ATOM 59 C ILE A 5 -9.428 0.124 -0.090 1.00 64.42 C ATOM 60 O ILE A 5 -8.304 0.278 -0.570 1.00 11.54 O ATOM 61 CB ILE A 5 -10.846 2.075 0.664 1.00 62.23 C ATOM 62 CG1 ILE A 5 -11.774 3.224 0.204 1.00 2.23 C ATOM 63 CG2 ILE A 5 -9.526 2.642 1.196 1.00 44.51 C ATOM 64 CD1 ILE A 5 -13.218 2.823 -0.018 1.00 72.43 C ATOM 0 H ILE A 5 -12.642 0.594 -0.324 1.00 42.54 H new ATOM 0 HA ILE A 5 -10.309 1.601 -1.390 1.00 64.53 H new ATOM 0 HB ILE A 5 -11.344 1.537 1.471 1.00 62.23 H new ATOM 0 HG12 ILE A 5 -11.743 4.018 0.950 1.00 2.23 H new ATOM 0 HG13 ILE A 5 -11.381 3.641 -0.723 1.00 2.23 H new ATOM 0 HG21 ILE A 5 -9.731 3.350 1.999 1.00 44.51 H new ATOM 0 HG22 ILE A 5 -8.908 1.829 1.578 1.00 44.51 H new ATOM 0 HG23 ILE A 5 -8.998 3.151 0.390 1.00 44.51 H new ATOM 0 HD11 ILE A 5 -13.792 3.693 -0.338 1.00 72.43 H new ATOM 0 HD12 ILE A 5 -13.267 2.052 -0.787 1.00 72.43 H new ATOM 0 HD13 ILE A 5 -13.635 2.435 0.911 1.00 72.43 H new ATOM 76 N VAL A 6 -9.703 -0.843 0.785 1.00 4.24 N ATOM 77 CA VAL A 6 -8.675 -1.795 1.229 1.00 33.24 C ATOM 78 C VAL A 6 -8.135 -2.627 0.052 1.00 32.22 C ATOM 79 O VAL A 6 -6.927 -2.667 -0.200 1.00 1.35 O ATOM 80 CB VAL A 6 -9.225 -2.754 2.314 1.00 71.41 C ATOM 81 CG1 VAL A 6 -8.124 -3.677 2.839 1.00 63.44 C ATOM 82 CG2 VAL A 6 -9.868 -1.967 3.457 1.00 73.54 C ATOM 0 H VAL A 6 -10.623 -0.991 1.201 1.00 4.24 H new ATOM 0 HA VAL A 6 -7.863 -1.204 1.652 1.00 33.24 H new ATOM 0 HB VAL A 6 -9.993 -3.377 1.856 1.00 71.41 H new ATOM 0 HG11 VAL A 6 -8.537 -4.340 3.599 1.00 63.44 H new ATOM 0 HG12 VAL A 6 -7.725 -4.272 2.017 1.00 63.44 H new ATOM 0 HG13 VAL A 6 -7.324 -3.078 3.275 1.00 63.44 H new ATOM 0 HG21 VAL A 6 -10.248 -2.660 4.208 1.00 73.54 H new ATOM 0 HG22 VAL A 6 -9.125 -1.312 3.911 1.00 73.54 H new ATOM 0 HG23 VAL A 6 -10.691 -1.367 3.068 1.00 73.54 H new ATOM 92 N THR A 7 -9.046 -3.283 -0.667 1.00 24.00 N ATOM 93 CA THR A 7 -8.689 -4.102 -1.835 1.00 2.40 C ATOM 94 C THR A 7 -7.988 -3.265 -2.915 1.00 1.41 C ATOM 95 O THR A 7 -7.133 -3.763 -3.645 1.00 72.35 O ATOM 96 CB THR A 7 -9.945 -4.775 -2.446 1.00 15.41 C ATOM 97 OG1 THR A 7 -10.661 -5.490 -1.425 1.00 62.50 O ATOM 98 CG2 THR A 7 -9.575 -5.733 -3.577 1.00 72.41 C ATOM 0 H THR A 7 -10.045 -3.265 -0.462 1.00 24.00 H new ATOM 0 HA THR A 7 -8.001 -4.872 -1.486 1.00 2.40 H new ATOM 0 HB THR A 7 -10.576 -3.989 -2.861 1.00 15.41 H new ATOM 0 HG1 THR A 7 -11.454 -5.912 -1.816 1.00 62.50 H new ATOM 0 HG21 THR A 7 -10.480 -6.186 -3.981 1.00 72.41 H new ATOM 0 HG22 THR A 7 -9.061 -5.184 -4.366 1.00 72.41 H new ATOM 0 HG23 THR A 7 -8.919 -6.514 -3.192 1.00 72.41 H new ATOM 106 N LYS A 8 -8.355 -1.986 -2.999 1.00 73.22 N ATOM 107 CA LYS A 8 -7.726 -1.042 -3.926 1.00 51.02 C ATOM 108 C LYS A 8 -6.215 -0.964 -3.677 1.00 22.35 C ATOM 109 O LYS A 8 -5.413 -1.218 -4.575 1.00 12.50 O ATOM 110 CB LYS A 8 -8.362 0.348 -3.752 1.00 3.05 C ATOM 111 CG LYS A 8 -7.759 1.440 -4.633 1.00 34.31 C ATOM 112 CD LYS A 8 -8.014 1.192 -6.115 1.00 34.25 C ATOM 113 CE LYS A 8 -7.505 2.347 -6.970 1.00 24.23 C ATOM 114 NZ LYS A 8 -7.801 2.146 -8.414 1.00 33.21 N ATOM 0 H LYS A 8 -9.094 -1.575 -2.429 1.00 73.22 H new ATOM 0 HA LYS A 8 -7.886 -1.390 -4.946 1.00 51.02 H new ATOM 0 HB2 LYS A 8 -9.428 0.274 -3.967 1.00 3.05 H new ATOM 0 HB3 LYS A 8 -8.267 0.648 -2.708 1.00 3.05 H new ATOM 0 HG2 LYS A 8 -8.179 2.405 -4.351 1.00 34.31 H new ATOM 0 HG3 LYS A 8 -6.685 1.496 -4.455 1.00 34.31 H new ATOM 0 HD2 LYS A 8 -7.523 0.268 -6.420 1.00 34.25 H new ATOM 0 HD3 LYS A 8 -9.082 1.056 -6.284 1.00 34.25 H new ATOM 0 HE2 LYS A 8 -7.963 3.277 -6.632 1.00 24.23 H new ATOM 0 HE3 LYS A 8 -6.429 2.453 -6.832 1.00 24.23 H new ATOM 0 HZ1 LYS A 8 -7.438 2.954 -8.959 1.00 33.21 H new ATOM 0 HZ2 LYS A 8 -7.343 1.272 -8.744 1.00 33.21 H new ATOM 0 HZ3 LYS A 8 -8.829 2.071 -8.550 1.00 33.21 H new ATOM 128 N ILE A 9 -5.840 -0.627 -2.444 1.00 42.43 N ATOM 129 CA ILE A 9 -4.429 -0.522 -2.055 1.00 22.44 C ATOM 130 C ILE A 9 -3.677 -1.847 -2.283 1.00 64.01 C ATOM 131 O ILE A 9 -2.558 -1.858 -2.805 1.00 71.15 O ATOM 132 CB ILE A 9 -4.300 -0.086 -0.573 1.00 75.24 C ATOM 133 CG1 ILE A 9 -4.955 1.295 -0.372 1.00 61.33 C ATOM 134 CG2 ILE A 9 -2.835 -0.062 -0.134 1.00 52.34 C ATOM 135 CD1 ILE A 9 -4.903 1.807 1.052 1.00 3.30 C ATOM 0 H ILE A 9 -6.496 -0.420 -1.691 1.00 42.43 H new ATOM 0 HA ILE A 9 -3.973 0.238 -2.689 1.00 22.44 H new ATOM 0 HB ILE A 9 -4.820 -0.814 0.049 1.00 75.24 H new ATOM 0 HG12 ILE A 9 -4.462 2.016 -1.024 1.00 61.33 H new ATOM 0 HG13 ILE A 9 -5.997 1.240 -0.688 1.00 61.33 H new ATOM 0 HG21 ILE A 9 -2.773 0.247 0.909 1.00 52.34 H new ATOM 0 HG22 ILE A 9 -2.406 -1.058 -0.244 1.00 52.34 H new ATOM 0 HG23 ILE A 9 -2.281 0.642 -0.755 1.00 52.34 H new ATOM 0 HD11 ILE A 9 -5.385 2.783 1.106 1.00 3.30 H new ATOM 0 HD12 ILE A 9 -5.422 1.109 1.709 1.00 3.30 H new ATOM 0 HD13 ILE A 9 -3.864 1.898 1.368 1.00 3.30 H new ATOM 147 N ILE A 10 -4.301 -2.963 -1.908 1.00 41.43 N ATOM 148 CA ILE A 10 -3.721 -4.293 -2.148 1.00 1.35 C ATOM 149 C ILE A 10 -3.518 -4.546 -3.654 1.00 1.40 C ATOM 150 O ILE A 10 -2.481 -5.062 -4.080 1.00 60.33 O ATOM 151 CB ILE A 10 -4.614 -5.417 -1.554 1.00 14.02 C ATOM 152 CG1 ILE A 10 -4.819 -5.195 -0.042 1.00 21.21 C ATOM 153 CG2 ILE A 10 -4.000 -6.794 -1.818 1.00 73.01 C ATOM 154 CD1 ILE A 10 -5.719 -6.225 0.619 1.00 20.53 C ATOM 0 H ILE A 10 -5.206 -2.978 -1.438 1.00 41.43 H new ATOM 0 HA ILE A 10 -2.752 -4.312 -1.648 1.00 1.35 H new ATOM 0 HB ILE A 10 -5.586 -5.380 -2.045 1.00 14.02 H new ATOM 0 HG12 ILE A 10 -3.847 -5.207 0.451 1.00 21.21 H new ATOM 0 HG13 ILE A 10 -5.243 -4.203 0.115 1.00 21.21 H new ATOM 0 HG21 ILE A 10 -4.642 -7.566 -1.393 1.00 73.01 H new ATOM 0 HG22 ILE A 10 -3.906 -6.951 -2.893 1.00 73.01 H new ATOM 0 HG23 ILE A 10 -3.014 -6.847 -1.356 1.00 73.01 H new ATOM 0 HD11 ILE A 10 -5.812 -5.999 1.681 1.00 20.53 H new ATOM 0 HD12 ILE A 10 -6.705 -6.199 0.154 1.00 20.53 H new ATOM 0 HD13 ILE A 10 -5.287 -7.218 0.496 1.00 20.53 H new ATOM 166 N SER A 11 -4.512 -4.164 -4.454 1.00 52.51 N ATOM 167 CA SER A 11 -4.443 -4.311 -5.915 1.00 61.51 C ATOM 168 C SER A 11 -3.343 -3.422 -6.513 1.00 32.23 C ATOM 169 O SER A 11 -2.712 -3.780 -7.509 1.00 4.35 O ATOM 170 CB SER A 11 -5.800 -3.966 -6.548 1.00 22.24 C ATOM 171 OG SER A 11 -5.791 -4.183 -7.953 1.00 52.24 O ATOM 0 H SER A 11 -5.380 -3.748 -4.117 1.00 52.51 H new ATOM 0 HA SER A 11 -4.197 -5.350 -6.136 1.00 61.51 H new ATOM 0 HB2 SER A 11 -6.581 -4.573 -6.090 1.00 22.24 H new ATOM 0 HB3 SER A 11 -6.044 -2.924 -6.341 1.00 22.24 H new ATOM 0 HG SER A 11 -6.669 -3.956 -8.325 1.00 52.24 H new ATOM 177 N ILE A 12 -3.124 -2.260 -5.901 1.00 14.25 N ATOM 178 CA ILE A 12 -2.041 -1.357 -6.310 1.00 64.24 C ATOM 179 C ILE A 12 -0.668 -2.016 -6.101 1.00 23.31 C ATOM 180 O ILE A 12 0.174 -2.020 -7.000 1.00 25.42 O ATOM 181 CB ILE A 12 -2.106 -0.019 -5.526 1.00 33.42 C ATOM 182 CG1 ILE A 12 -3.425 0.711 -5.838 1.00 72.24 C ATOM 183 CG2 ILE A 12 -0.901 0.871 -5.855 1.00 22.01 C ATOM 184 CD1 ILE A 12 -3.690 1.911 -4.951 1.00 13.23 C ATOM 0 H ILE A 12 -3.681 -1.918 -5.118 1.00 14.25 H new ATOM 0 HA ILE A 12 -2.172 -1.147 -7.372 1.00 64.24 H new ATOM 0 HB ILE A 12 -2.072 -0.242 -4.459 1.00 33.42 H new ATOM 0 HG12 ILE A 12 -3.411 1.037 -6.878 1.00 72.24 H new ATOM 0 HG13 ILE A 12 -4.251 0.007 -5.736 1.00 72.24 H new ATOM 0 HG21 ILE A 12 -0.972 1.802 -5.292 1.00 22.01 H new ATOM 0 HG22 ILE A 12 0.019 0.353 -5.585 1.00 22.01 H new ATOM 0 HG23 ILE A 12 -0.893 1.092 -6.922 1.00 22.01 H new ATOM 0 HD11 ILE A 12 -4.637 2.370 -5.234 1.00 13.23 H new ATOM 0 HD12 ILE A 12 -3.738 1.591 -3.910 1.00 13.23 H new ATOM 0 HD13 ILE A 12 -2.885 2.636 -5.070 1.00 13.23 H new ATOM 196 N VAL A 13 -0.456 -2.589 -4.917 1.00 33.34 N ATOM 197 CA VAL A 13 0.796 -3.290 -4.608 1.00 30.22 C ATOM 198 C VAL A 13 1.052 -4.437 -5.601 1.00 34.34 C ATOM 199 O VAL A 13 2.155 -4.572 -6.138 1.00 23.44 O ATOM 200 CB VAL A 13 0.789 -3.850 -3.161 1.00 71.54 C ATOM 201 CG1 VAL A 13 2.103 -4.565 -2.844 1.00 1.33 C ATOM 202 CG2 VAL A 13 0.522 -2.733 -2.153 1.00 41.50 C ATOM 0 H VAL A 13 -1.133 -2.583 -4.154 1.00 33.34 H new ATOM 0 HA VAL A 13 1.600 -2.559 -4.697 1.00 30.22 H new ATOM 0 HB VAL A 13 -0.017 -4.580 -3.084 1.00 71.54 H new ATOM 0 HG11 VAL A 13 2.072 -4.948 -1.824 1.00 1.33 H new ATOM 0 HG12 VAL A 13 2.243 -5.393 -3.538 1.00 1.33 H new ATOM 0 HG13 VAL A 13 2.932 -3.864 -2.943 1.00 1.33 H new ATOM 0 HG21 VAL A 13 0.521 -3.146 -1.144 1.00 41.50 H new ATOM 0 HG22 VAL A 13 1.302 -1.976 -2.234 1.00 41.50 H new ATOM 0 HG23 VAL A 13 -0.447 -2.280 -2.360 1.00 41.50 H new ATOM 212 N GLN A 14 0.025 -5.254 -5.848 1.00 10.12 N ATOM 213 CA GLN A 14 0.116 -6.352 -6.820 1.00 5.31 C ATOM 214 C GLN A 14 0.452 -5.820 -8.225 1.00 54.15 C ATOM 215 O GLN A 14 1.316 -6.357 -8.920 1.00 73.41 O ATOM 216 CB GLN A 14 -1.207 -7.132 -6.857 1.00 0.33 C ATOM 217 CG GLN A 14 -1.176 -8.388 -7.727 1.00 53.21 C ATOM 218 CD GLN A 14 -0.210 -9.441 -7.206 1.00 22.50 C ATOM 219 OE1 GLN A 14 0.961 -9.463 -7.565 1.00 74.41 O ATOM 220 NE2 GLN A 14 -0.697 -10.327 -6.360 1.00 45.11 N ATOM 0 H GLN A 14 -0.882 -5.177 -5.388 1.00 10.12 H new ATOM 0 HA GLN A 14 0.919 -7.019 -6.506 1.00 5.31 H new ATOM 0 HB2 GLN A 14 -1.476 -7.416 -5.840 1.00 0.33 H new ATOM 0 HB3 GLN A 14 -1.994 -6.472 -7.222 1.00 0.33 H new ATOM 0 HG2 GLN A 14 -2.178 -8.814 -7.778 1.00 53.21 H new ATOM 0 HG3 GLN A 14 -0.894 -8.114 -8.744 1.00 53.21 H new ATOM 0 HE21 GLN A 14 -1.677 -10.281 -6.081 1.00 45.11 H new ATOM 0 HE22 GLN A 14 -0.094 -11.059 -5.984 1.00 45.11 H new ATOM 229 N GLU A 15 -0.238 -4.754 -8.625 1.00 73.14 N ATOM 230 CA GLU A 15 -0.003 -4.095 -9.917 1.00 1.21 C ATOM 231 C GLU A 15 1.480 -3.714 -10.096 1.00 3.03 C ATOM 232 O GLU A 15 2.087 -3.981 -11.134 1.00 54.53 O ATOM 233 CB GLU A 15 -0.892 -2.841 -10.005 1.00 14.41 C ATOM 234 CG GLU A 15 -0.792 -2.077 -11.322 1.00 55.14 C ATOM 235 CD GLU A 15 -1.251 -2.893 -12.520 1.00 31.14 C ATOM 236 OE1 GLU A 15 -2.421 -3.341 -12.530 1.00 72.04 O ATOM 237 OE2 GLU A 15 -0.461 -3.071 -13.468 1.00 71.43 O ATOM 0 H GLU A 15 -0.974 -4.321 -8.068 1.00 73.14 H new ATOM 0 HA GLU A 15 -0.258 -4.790 -10.717 1.00 1.21 H new ATOM 0 HB2 GLU A 15 -1.930 -3.137 -9.851 1.00 14.41 H new ATOM 0 HB3 GLU A 15 -0.628 -2.168 -9.190 1.00 14.41 H new ATOM 0 HG2 GLU A 15 -1.393 -1.170 -11.256 1.00 55.14 H new ATOM 0 HG3 GLU A 15 0.241 -1.765 -11.477 1.00 55.14 H new ATOM 244 N ARG A 16 2.060 -3.107 -9.063 1.00 60.13 N ATOM 245 CA ARG A 16 3.461 -2.671 -9.100 1.00 23.42 C ATOM 246 C ARG A 16 4.426 -3.874 -9.138 1.00 33.32 C ATOM 247 O ARG A 16 5.449 -3.840 -9.826 1.00 43.13 O ATOM 248 CB ARG A 16 3.756 -1.768 -7.892 1.00 0.01 C ATOM 249 CG ARG A 16 2.785 -0.590 -7.765 1.00 25.40 C ATOM 250 CD ARG A 16 2.945 0.424 -8.900 1.00 64.52 C ATOM 251 NE ARG A 16 3.813 1.539 -8.519 1.00 35.04 N ATOM 252 CZ ARG A 16 4.870 1.923 -9.180 1.00 32.05 C ATOM 253 NH1 ARG A 16 5.250 1.304 -10.253 1.00 60.35 N ATOM 254 NH2 ARG A 16 5.540 2.951 -8.773 1.00 5.33 N ATOM 0 H ARG A 16 1.582 -2.904 -8.185 1.00 60.13 H new ATOM 0 HA ARG A 16 3.621 -2.102 -10.016 1.00 23.42 H new ATOM 0 HB2 ARG A 16 3.713 -2.365 -6.981 1.00 0.01 H new ATOM 0 HB3 ARG A 16 4.773 -1.384 -7.974 1.00 0.01 H new ATOM 0 HG2 ARG A 16 1.762 -0.965 -7.759 1.00 25.40 H new ATOM 0 HG3 ARG A 16 2.947 -0.091 -6.810 1.00 25.40 H new ATOM 0 HD2 ARG A 16 3.359 -0.075 -9.776 1.00 64.52 H new ATOM 0 HD3 ARG A 16 1.965 0.808 -9.184 1.00 64.52 H new ATOM 0 HE ARG A 16 3.573 2.055 -7.672 1.00 35.04 H new ATOM 0 HH11 ARG A 16 4.720 0.502 -10.594 1.00 60.35 H new ATOM 0 HH12 ARG A 16 6.079 1.619 -10.757 1.00 60.35 H new ATOM 0 HH21 ARG A 16 5.241 3.457 -7.939 1.00 5.33 H new ATOM 0 HH22 ARG A 16 6.367 3.256 -9.286 1.00 5.33 H new ATOM 268 N GLN A 17 4.080 -4.939 -8.410 1.00 33.31 N ATOM 269 CA GLN A 17 4.863 -6.189 -8.417 1.00 33.40 C ATOM 270 C GLN A 17 4.888 -6.849 -9.809 1.00 73.25 C ATOM 271 O GLN A 17 5.868 -7.492 -10.187 1.00 2.10 O ATOM 272 CB GLN A 17 4.278 -7.186 -7.400 1.00 42.21 C ATOM 273 CG GLN A 17 4.600 -6.872 -5.939 1.00 41.10 C ATOM 274 CD GLN A 17 6.017 -7.264 -5.541 1.00 3.04 C ATOM 275 OE1 GLN A 17 6.944 -7.211 -6.337 1.00 45.34 O ATOM 276 NE2 GLN A 17 6.189 -7.697 -4.306 1.00 44.02 N ATOM 0 H GLN A 17 3.260 -4.966 -7.804 1.00 33.31 H new ATOM 0 HA GLN A 17 5.886 -5.928 -8.145 1.00 33.40 H new ATOM 0 HB2 GLN A 17 3.195 -7.214 -7.521 1.00 42.21 H new ATOM 0 HB3 GLN A 17 4.651 -8.183 -7.634 1.00 42.21 H new ATOM 0 HG2 GLN A 17 4.462 -5.805 -5.764 1.00 41.10 H new ATOM 0 HG3 GLN A 17 3.891 -7.394 -5.297 1.00 41.10 H new ATOM 0 HE21 GLN A 17 5.398 -7.731 -3.663 1.00 44.02 H new ATOM 0 HE22 GLN A 17 7.113 -7.998 -3.995 1.00 44.02 H new ATOM 285 N ASN A 18 3.798 -6.698 -10.561 1.00 22.25 N ATOM 286 CA ASN A 18 3.649 -7.359 -11.865 1.00 54.34 C ATOM 287 C ASN A 18 4.132 -6.487 -13.040 1.00 32.14 C ATOM 288 O ASN A 18 4.573 -7.009 -14.066 1.00 34.34 O ATOM 289 CB ASN A 18 2.186 -7.770 -12.072 1.00 34.51 C ATOM 290 CG ASN A 18 1.777 -8.888 -11.124 1.00 75.22 C ATOM 291 OD1 ASN A 18 2.582 -9.748 -10.782 1.00 1.40 O ATOM 292 ND2 ASN A 18 0.533 -8.891 -10.691 1.00 51.41 N ATOM 0 H ASN A 18 3.000 -6.122 -10.291 1.00 22.25 H new ATOM 0 HA ASN A 18 4.286 -8.243 -11.853 1.00 54.34 H new ATOM 0 HB2 ASN A 18 1.540 -6.906 -11.917 1.00 34.51 H new ATOM 0 HB3 ASN A 18 2.041 -8.095 -13.102 1.00 34.51 H new ATOM 0 HD21 ASN A 18 0.217 -9.622 -10.054 1.00 51.41 H new ATOM 0 HD22 ASN A 18 -0.114 -8.162 -10.993 1.00 51.41 H new ATOM 299 N MET A 19 4.045 -5.166 -12.899 1.00 45.45 N ATOM 300 CA MET A 19 4.488 -4.253 -13.963 1.00 54.14 C ATOM 301 C MET A 19 6.022 -4.254 -14.109 1.00 52.45 C ATOM 302 O MET A 19 6.554 -3.983 -15.188 1.00 74.34 O ATOM 303 CB MET A 19 3.993 -2.824 -13.694 1.00 11.23 C ATOM 304 CG MET A 19 4.586 -2.190 -12.443 1.00 24.53 C ATOM 305 SD MET A 19 3.944 -0.530 -12.124 1.00 14.43 S ATOM 306 CE MET A 19 4.514 0.349 -13.578 1.00 34.05 C ATOM 0 H MET A 19 3.676 -4.702 -12.069 1.00 45.45 H new ATOM 0 HA MET A 19 4.056 -4.612 -14.897 1.00 54.14 H new ATOM 0 HB2 MET A 19 4.233 -2.199 -14.554 1.00 11.23 H new ATOM 0 HB3 MET A 19 2.907 -2.838 -13.602 1.00 11.23 H new ATOM 0 HG2 MET A 19 4.375 -2.827 -11.584 1.00 24.53 H new ATOM 0 HG3 MET A 19 5.670 -2.141 -12.545 1.00 24.53 H new ATOM 0 HE1 MET A 19 4.484 1.422 -13.390 1.00 34.05 H new ATOM 0 HE2 MET A 19 5.537 0.049 -13.807 1.00 34.05 H new ATOM 0 HE3 MET A 19 3.869 0.111 -14.423 1.00 34.05 H new ATOM 316 N ASP A 20 6.722 -4.568 -13.020 1.00 33.43 N ATOM 317 CA ASP A 20 8.188 -4.560 -13.003 1.00 23.21 C ATOM 318 C ASP A 20 8.726 -5.911 -12.484 1.00 51.42 C ATOM 319 O ASP A 20 7.950 -6.809 -12.156 1.00 32.52 O ATOM 320 CB ASP A 20 8.674 -3.397 -12.119 1.00 63.23 C ATOM 321 CG ASP A 20 10.113 -2.993 -12.392 1.00 51.51 C ATOM 322 OD1 ASP A 20 11.026 -3.557 -11.757 1.00 22.41 O ATOM 323 OD2 ASP A 20 10.338 -2.104 -13.241 1.00 43.35 O ATOM 0 H ASP A 20 6.296 -4.833 -12.132 1.00 33.43 H new ATOM 0 HA ASP A 20 8.566 -4.419 -14.015 1.00 23.21 H new ATOM 0 HB2 ASP A 20 8.026 -2.535 -12.277 1.00 63.23 H new ATOM 0 HB3 ASP A 20 8.577 -3.681 -11.071 1.00 63.23 H new ATOM 328 N ASP A 21 10.045 -6.060 -12.426 1.00 24.53 N ATOM 329 CA ASP A 21 10.664 -7.297 -11.927 1.00 45.43 C ATOM 330 C ASP A 21 11.225 -7.125 -10.507 1.00 63.50 C ATOM 331 O ASP A 21 11.582 -8.104 -9.847 1.00 73.33 O ATOM 332 CB ASP A 21 11.773 -7.747 -12.880 1.00 73.10 C ATOM 333 CG ASP A 21 11.234 -8.081 -14.257 1.00 24.04 C ATOM 334 OD1 ASP A 21 10.640 -9.172 -14.413 1.00 0.31 O ATOM 335 OD2 ASP A 21 11.379 -7.254 -15.179 1.00 34.53 O ATOM 0 H ASP A 21 10.711 -5.344 -12.716 1.00 24.53 H new ATOM 0 HA ASP A 21 9.888 -8.061 -11.883 1.00 45.43 H new ATOM 0 HB2 ASP A 21 12.521 -6.959 -12.964 1.00 73.10 H new ATOM 0 HB3 ASP A 21 12.276 -8.621 -12.465 1.00 73.10 H new ATOM 340 N GLY A 22 11.315 -5.880 -10.046 1.00 42.43 N ATOM 341 CA GLY A 22 11.811 -5.614 -8.700 1.00 5.22 C ATOM 342 C GLY A 22 11.582 -4.178 -8.243 1.00 22.22 C ATOM 343 O GLY A 22 12.471 -3.552 -7.665 1.00 44.41 O ATOM 0 H GLY A 22 11.054 -5.049 -10.577 1.00 42.43 H new ATOM 0 HA2 GLY A 22 11.323 -6.292 -8.000 1.00 5.22 H new ATOM 0 HA3 GLY A 22 12.878 -5.833 -8.664 1.00 5.22 H new ATOM 347 N ALA A 23 10.386 -3.653 -8.498 1.00 24.12 N ATOM 348 CA ALA A 23 10.041 -2.286 -8.092 1.00 22.35 C ATOM 349 C ALA A 23 9.253 -2.269 -6.773 1.00 62.54 C ATOM 350 O ALA A 23 8.081 -2.649 -6.737 1.00 13.11 O ATOM 351 CB ALA A 23 9.240 -1.592 -9.189 1.00 53.32 C ATOM 0 H ALA A 23 9.638 -4.149 -8.983 1.00 24.12 H new ATOM 0 HA ALA A 23 10.974 -1.745 -7.932 1.00 22.35 H new ATOM 0 HB1 ALA A 23 8.992 -0.579 -8.873 1.00 53.32 H new ATOM 0 HB2 ALA A 23 9.833 -1.552 -10.103 1.00 53.32 H new ATOM 0 HB3 ALA A 23 8.322 -2.149 -9.377 1.00 53.32 H new ATOM 357 N PRO A 24 9.884 -1.838 -5.666 1.00 33.03 N ATOM 358 CA PRO A 24 9.198 -1.711 -4.372 1.00 44.41 C ATOM 359 C PRO A 24 8.158 -0.580 -4.389 1.00 40.42 C ATOM 360 O PRO A 24 8.406 0.502 -4.928 1.00 12.25 O ATOM 361 CB PRO A 24 10.335 -1.400 -3.389 1.00 24.11 C ATOM 362 CG PRO A 24 11.405 -0.785 -4.228 1.00 34.42 C ATOM 363 CD PRO A 24 11.306 -1.447 -5.579 1.00 33.44 C ATOM 0 HA PRO A 24 8.639 -2.609 -4.108 1.00 44.41 H new ATOM 0 HB2 PRO A 24 10.005 -0.718 -2.605 1.00 24.11 H new ATOM 0 HB3 PRO A 24 10.690 -2.305 -2.895 1.00 24.11 H new ATOM 0 HG2 PRO A 24 11.265 0.293 -4.310 1.00 34.42 H new ATOM 0 HG3 PRO A 24 12.388 -0.946 -3.786 1.00 34.42 H new ATOM 0 HD2 PRO A 24 11.585 -0.765 -6.382 1.00 33.44 H new ATOM 0 HD3 PRO A 24 11.966 -2.312 -5.652 1.00 33.44 H new ATOM 371 N VAL A 25 7.000 -0.823 -3.785 1.00 71.41 N ATOM 372 CA VAL A 25 5.897 0.137 -3.827 1.00 40.15 C ATOM 373 C VAL A 25 6.105 1.265 -2.804 1.00 14.42 C ATOM 374 O VAL A 25 6.206 1.018 -1.603 1.00 1.23 O ATOM 375 CB VAL A 25 4.542 -0.564 -3.560 1.00 11.45 C ATOM 376 CG1 VAL A 25 3.376 0.351 -3.919 1.00 34.24 C ATOM 377 CG2 VAL A 25 4.454 -1.883 -4.325 1.00 74.11 C ATOM 0 H VAL A 25 6.798 -1.674 -3.261 1.00 71.41 H new ATOM 0 HA VAL A 25 5.880 0.570 -4.827 1.00 40.15 H new ATOM 0 HB VAL A 25 4.480 -0.786 -2.495 1.00 11.45 H new ATOM 0 HG11 VAL A 25 2.436 -0.164 -3.723 1.00 34.24 H new ATOM 0 HG12 VAL A 25 3.426 1.258 -3.316 1.00 34.24 H new ATOM 0 HG13 VAL A 25 3.432 0.614 -4.975 1.00 34.24 H new ATOM 0 HG21 VAL A 25 3.494 -2.358 -4.122 1.00 74.11 H new ATOM 0 HG22 VAL A 25 4.545 -1.690 -5.394 1.00 74.11 H new ATOM 0 HG23 VAL A 25 5.260 -2.543 -4.005 1.00 74.11 H new ATOM 387 N LYS A 26 6.167 2.504 -3.287 1.00 23.30 N ATOM 388 CA LYS A 26 6.431 3.666 -2.426 1.00 34.20 C ATOM 389 C LYS A 26 5.150 4.116 -1.698 1.00 41.11 C ATOM 390 O LYS A 26 4.102 4.265 -2.324 1.00 43.25 O ATOM 391 CB LYS A 26 6.985 4.848 -3.252 1.00 70.31 C ATOM 392 CG LYS A 26 8.284 4.564 -4.020 1.00 41.30 C ATOM 393 CD LYS A 26 8.061 3.663 -5.236 1.00 42.22 C ATOM 394 CE LYS A 26 9.347 3.423 -6.019 1.00 30.21 C ATOM 395 NZ LYS A 26 9.864 4.674 -6.639 1.00 4.04 N ATOM 0 H LYS A 26 6.038 2.735 -4.272 1.00 23.30 H new ATOM 0 HA LYS A 26 7.174 3.362 -1.688 1.00 34.20 H new ATOM 0 HB2 LYS A 26 6.222 5.160 -3.965 1.00 70.31 H new ATOM 0 HB3 LYS A 26 7.156 5.689 -2.581 1.00 70.31 H new ATOM 0 HG2 LYS A 26 8.723 5.507 -4.346 1.00 41.30 H new ATOM 0 HG3 LYS A 26 9.003 4.093 -3.350 1.00 41.30 H new ATOM 0 HD2 LYS A 26 7.654 2.707 -4.908 1.00 42.22 H new ATOM 0 HD3 LYS A 26 7.318 4.118 -5.891 1.00 42.22 H new ATOM 0 HE2 LYS A 26 10.104 3.008 -5.354 1.00 30.21 H new ATOM 0 HE3 LYS A 26 9.165 2.681 -6.797 1.00 30.21 H new ATOM 0 HZ1 LYS A 26 10.625 4.441 -7.309 1.00 4.04 H new ATOM 0 HZ2 LYS A 26 9.093 5.155 -7.145 1.00 4.04 H new ATOM 0 HZ3 LYS A 26 10.236 5.301 -5.897 1.00 4.04 H new ATOM 409 N THR A 27 5.243 4.347 -0.386 1.00 15.55 N ATOM 410 CA THR A 27 4.094 4.829 0.406 1.00 71.23 C ATOM 411 C THR A 27 3.453 6.082 -0.225 1.00 54.31 C ATOM 412 O THR A 27 2.230 6.184 -0.326 1.00 52.42 O ATOM 413 CB THR A 27 4.503 5.149 1.869 1.00 33.32 C ATOM 414 OG1 THR A 27 4.917 3.949 2.541 1.00 30.44 O ATOM 415 CG2 THR A 27 3.350 5.788 2.640 1.00 4.55 C ATOM 0 H THR A 27 6.097 4.210 0.155 1.00 15.55 H new ATOM 0 HA THR A 27 3.363 4.021 0.410 1.00 71.23 H new ATOM 0 HB THR A 27 5.332 5.856 1.835 1.00 33.32 H new ATOM 0 HG1 THR A 27 5.812 3.694 2.233 1.00 30.44 H new ATOM 0 HG21 THR A 27 3.668 6.000 3.661 1.00 4.55 H new ATOM 0 HG22 THR A 27 3.056 6.717 2.151 1.00 4.55 H new ATOM 0 HG23 THR A 27 2.502 5.104 2.659 1.00 4.55 H new ATOM 423 N ARG A 28 4.292 7.028 -0.652 1.00 12.23 N ATOM 424 CA ARG A 28 3.811 8.241 -1.334 1.00 22.30 C ATOM 425 C ARG A 28 3.076 7.877 -2.637 1.00 20.23 C ATOM 426 O ARG A 28 1.988 8.376 -2.915 1.00 54.42 O ATOM 427 CB ARG A 28 4.990 9.182 -1.640 1.00 72.10 C ATOM 428 CG ARG A 28 5.789 9.609 -0.409 1.00 52.24 C ATOM 429 CD ARG A 28 4.972 10.478 0.545 1.00 31.12 C ATOM 430 NE ARG A 28 5.694 10.747 1.791 1.00 2.43 N ATOM 431 CZ ARG A 28 5.243 11.501 2.763 1.00 75.40 C ATOM 432 NH1 ARG A 28 4.149 12.180 2.625 1.00 31.53 N ATOM 433 NH2 ARG A 28 5.920 11.615 3.856 1.00 60.00 N ATOM 0 H ARG A 28 5.305 6.982 -0.540 1.00 12.23 H new ATOM 0 HA ARG A 28 3.111 8.752 -0.672 1.00 22.30 H new ATOM 0 HB2 ARG A 28 5.662 8.687 -2.341 1.00 72.10 H new ATOM 0 HB3 ARG A 28 4.609 10.073 -2.138 1.00 72.10 H new ATOM 0 HG2 ARG A 28 6.137 8.722 0.120 1.00 52.24 H new ATOM 0 HG3 ARG A 28 6.675 10.158 -0.727 1.00 52.24 H new ATOM 0 HD2 ARG A 28 4.726 11.421 0.057 1.00 31.12 H new ATOM 0 HD3 ARG A 28 4.029 9.981 0.772 1.00 31.12 H new ATOM 0 HE ARG A 28 6.611 10.318 1.910 1.00 2.43 H new ATOM 0 HH11 ARG A 28 3.626 12.132 1.751 1.00 31.53 H new ATOM 0 HH12 ARG A 28 3.810 12.763 3.391 1.00 31.53 H new ATOM 0 HH21 ARG A 28 6.805 11.119 3.962 1.00 60.00 H new ATOM 0 HH22 ARG A 28 5.570 12.202 4.614 1.00 60.00 H new ATOM 447 N ASP A 29 3.683 6.982 -3.414 1.00 50.33 N ATOM 448 CA ASP A 29 3.106 6.501 -4.675 1.00 11.41 C ATOM 449 C ASP A 29 1.724 5.852 -4.452 1.00 22.32 C ATOM 450 O ASP A 29 0.790 6.061 -5.234 1.00 62.53 O ATOM 451 CB ASP A 29 4.087 5.512 -5.320 1.00 60.31 C ATOM 452 CG ASP A 29 3.608 4.955 -6.646 1.00 51.33 C ATOM 453 OD1 ASP A 29 3.418 5.743 -7.596 1.00 30.04 O ATOM 454 OD2 ASP A 29 3.429 3.726 -6.751 1.00 45.22 O ATOM 0 H ASP A 29 4.588 6.568 -3.190 1.00 50.33 H new ATOM 0 HA ASP A 29 2.949 7.347 -5.344 1.00 11.41 H new ATOM 0 HB2 ASP A 29 5.045 6.010 -5.470 1.00 60.31 H new ATOM 0 HB3 ASP A 29 4.262 4.686 -4.631 1.00 60.31 H new ATOM 459 N ILE A 30 1.597 5.078 -3.372 1.00 73.02 N ATOM 460 CA ILE A 30 0.316 4.461 -3.002 1.00 22.25 C ATOM 461 C ILE A 30 -0.750 5.530 -2.705 1.00 23.35 C ATOM 462 O ILE A 30 -1.913 5.381 -3.079 1.00 65.34 O ATOM 463 CB ILE A 30 0.463 3.546 -1.758 1.00 12.12 C ATOM 464 CG1 ILE A 30 1.518 2.459 -2.018 1.00 53.33 C ATOM 465 CG2 ILE A 30 -0.880 2.913 -1.394 1.00 12.51 C ATOM 466 CD1 ILE A 30 1.776 1.555 -0.828 1.00 32.22 C ATOM 0 H ILE A 30 2.365 4.862 -2.736 1.00 73.02 H new ATOM 0 HA ILE A 30 0.002 3.859 -3.855 1.00 22.25 H new ATOM 0 HB ILE A 30 0.792 4.156 -0.917 1.00 12.12 H new ATOM 0 HG12 ILE A 30 1.196 1.849 -2.862 1.00 53.33 H new ATOM 0 HG13 ILE A 30 2.454 2.937 -2.308 1.00 53.33 H new ATOM 0 HG21 ILE A 30 -0.756 2.275 -0.519 1.00 12.51 H new ATOM 0 HG22 ILE A 30 -1.604 3.697 -1.172 1.00 12.51 H new ATOM 0 HG23 ILE A 30 -1.239 2.315 -2.231 1.00 12.51 H new ATOM 0 HD11 ILE A 30 2.532 0.815 -1.090 1.00 32.22 H new ATOM 0 HD12 ILE A 30 2.129 2.152 0.013 1.00 32.22 H new ATOM 0 HD13 ILE A 30 0.852 1.047 -0.550 1.00 32.22 H new ATOM 478 N ALA A 31 -0.336 6.606 -2.037 1.00 55.43 N ATOM 479 CA ALA A 31 -1.241 7.707 -1.693 1.00 11.24 C ATOM 480 C ALA A 31 -1.899 8.318 -2.939 1.00 72.42 C ATOM 481 O ALA A 31 -3.114 8.519 -2.976 1.00 40.34 O ATOM 482 CB ALA A 31 -0.496 8.782 -0.909 1.00 24.12 C ATOM 0 H ALA A 31 0.624 6.741 -1.721 1.00 55.43 H new ATOM 0 HA ALA A 31 -2.035 7.295 -1.070 1.00 11.24 H new ATOM 0 HB1 ALA A 31 -1.181 9.592 -0.661 1.00 24.12 H new ATOM 0 HB2 ALA A 31 -0.096 8.351 0.009 1.00 24.12 H new ATOM 0 HB3 ALA A 31 0.323 9.172 -1.514 1.00 24.12 H new ATOM 488 N ASP A 32 -1.088 8.624 -3.948 1.00 13.54 N ATOM 489 CA ASP A 32 -1.595 9.144 -5.223 1.00 60.01 C ATOM 490 C ASP A 32 -2.480 8.119 -5.952 1.00 0.20 C ATOM 491 O ASP A 32 -3.540 8.461 -6.475 1.00 72.01 O ATOM 492 CB ASP A 32 -0.424 9.556 -6.119 1.00 31.12 C ATOM 493 CG ASP A 32 0.284 10.794 -5.602 1.00 21.22 C ATOM 494 OD1 ASP A 32 1.109 10.672 -4.679 1.00 12.41 O ATOM 495 OD2 ASP A 32 0.017 11.895 -6.121 1.00 32.44 O ATOM 0 H ASP A 32 -0.074 8.522 -3.911 1.00 13.54 H new ATOM 0 HA ASP A 32 -2.214 10.014 -5.003 1.00 60.01 H new ATOM 0 HB2 ASP A 32 0.288 8.733 -6.185 1.00 31.12 H new ATOM 0 HB3 ASP A 32 -0.789 9.743 -7.129 1.00 31.12 H new ATOM 500 N ALA A 33 -2.041 6.863 -5.975 1.00 32.54 N ATOM 501 CA ALA A 33 -2.775 5.796 -6.668 1.00 75.31 C ATOM 502 C ALA A 33 -4.146 5.516 -6.025 1.00 54.43 C ATOM 503 O ALA A 33 -5.141 5.313 -6.722 1.00 64.31 O ATOM 504 CB ALA A 33 -1.937 4.525 -6.693 1.00 42.34 C ATOM 0 H ALA A 33 -1.180 6.554 -5.523 1.00 32.54 H new ATOM 0 HA ALA A 33 -2.962 6.135 -7.687 1.00 75.31 H new ATOM 0 HB1 ALA A 33 -2.486 3.737 -7.208 1.00 42.34 H new ATOM 0 HB2 ALA A 33 -1.001 4.717 -7.217 1.00 42.34 H new ATOM 0 HB3 ALA A 33 -1.723 4.210 -5.672 1.00 42.34 H new ATOM 510 N ALA A 34 -4.186 5.501 -4.694 1.00 64.33 N ATOM 511 CA ALA A 34 -5.426 5.221 -3.955 1.00 1.44 C ATOM 512 C ALA A 34 -6.280 6.486 -3.750 1.00 63.03 C ATOM 513 O ALA A 34 -7.494 6.400 -3.556 1.00 13.31 O ATOM 514 CB ALA A 34 -5.101 4.583 -2.607 1.00 4.02 C ATOM 0 H ALA A 34 -3.376 5.679 -4.100 1.00 64.33 H new ATOM 0 HA ALA A 34 -6.013 4.526 -4.556 1.00 1.44 H new ATOM 0 HB1 ALA A 34 -6.026 4.380 -2.068 1.00 4.02 H new ATOM 0 HB2 ALA A 34 -4.562 3.649 -2.767 1.00 4.02 H new ATOM 0 HB3 ALA A 34 -4.482 5.264 -2.022 1.00 4.02 H new ATOM 520 N GLY A 35 -5.638 7.654 -3.786 1.00 72.44 N ATOM 521 CA GLY A 35 -6.349 8.916 -3.589 1.00 42.12 C ATOM 522 C GLY A 35 -6.683 9.197 -2.126 1.00 55.14 C ATOM 523 O GLY A 35 -7.770 9.682 -1.808 1.00 23.25 O ATOM 0 H GLY A 35 -4.636 7.752 -3.948 1.00 72.44 H new ATOM 0 HA2 GLY A 35 -5.741 9.732 -3.979 1.00 42.12 H new ATOM 0 HA3 GLY A 35 -7.272 8.900 -4.169 1.00 42.12 H new ATOM 527 N LEU A 36 -5.744 8.894 -1.233 1.00 61.30 N ATOM 528 CA LEU A 36 -5.938 9.096 0.211 1.00 23.35 C ATOM 529 C LEU A 36 -4.774 9.888 0.827 1.00 53.23 C ATOM 530 O LEU A 36 -3.693 9.978 0.242 1.00 44.20 O ATOM 531 CB LEU A 36 -6.073 7.741 0.925 1.00 21.42 C ATOM 532 CG LEU A 36 -7.264 6.868 0.486 1.00 72.25 C ATOM 533 CD1 LEU A 36 -7.209 5.501 1.165 1.00 54.02 C ATOM 534 CD2 LEU A 36 -8.591 7.568 0.786 1.00 44.11 C ATOM 0 H LEU A 36 -4.834 8.505 -1.480 1.00 61.30 H new ATOM 0 HA LEU A 36 -6.854 9.671 0.344 1.00 23.35 H new ATOM 0 HB2 LEU A 36 -5.155 7.175 0.767 1.00 21.42 H new ATOM 0 HB3 LEU A 36 -6.155 7.923 1.997 1.00 21.42 H new ATOM 0 HG LEU A 36 -7.196 6.718 -0.591 1.00 72.25 H new ATOM 0 HD11 LEU A 36 -8.059 4.900 0.842 1.00 54.02 H new ATOM 0 HD12 LEU A 36 -6.282 4.996 0.892 1.00 54.02 H new ATOM 0 HD13 LEU A 36 -7.247 5.630 2.247 1.00 54.02 H new ATOM 0 HD21 LEU A 36 -9.418 6.933 0.467 1.00 44.11 H new ATOM 0 HD22 LEU A 36 -8.669 7.756 1.857 1.00 44.11 H new ATOM 0 HD23 LEU A 36 -8.633 8.515 0.248 1.00 44.11 H new ATOM 546 N SER A 37 -5.005 10.465 2.007 1.00 13.22 N ATOM 547 CA SER A 37 -3.951 11.178 2.744 1.00 10.04 C ATOM 548 C SER A 37 -2.875 10.206 3.248 1.00 71.41 C ATOM 549 O SER A 37 -3.167 9.049 3.539 1.00 64.21 O ATOM 550 CB SER A 37 -4.546 11.944 3.934 1.00 54.34 C ATOM 551 OG SER A 37 -5.476 12.929 3.511 1.00 40.21 O ATOM 0 H SER A 37 -5.911 10.455 2.476 1.00 13.22 H new ATOM 0 HA SER A 37 -3.490 11.886 2.055 1.00 10.04 H new ATOM 0 HB2 SER A 37 -5.039 11.244 4.608 1.00 54.34 H new ATOM 0 HB3 SER A 37 -3.744 12.419 4.499 1.00 54.34 H new ATOM 0 HG SER A 37 -5.836 13.396 4.294 1.00 40.21 H new ATOM 557 N ILE A 38 -1.643 10.695 3.380 1.00 35.13 N ATOM 558 CA ILE A 38 -0.497 9.856 3.771 1.00 1.40 C ATOM 559 C ILE A 38 -0.772 9.053 5.053 1.00 62.32 C ATOM 560 O ILE A 38 -0.543 7.842 5.098 1.00 31.43 O ATOM 561 CB ILE A 38 0.778 10.716 3.968 1.00 52.11 C ATOM 562 CG1 ILE A 38 1.091 11.504 2.685 1.00 2.13 C ATOM 563 CG2 ILE A 38 1.971 9.847 4.376 1.00 34.41 C ATOM 564 CD1 ILE A 38 1.358 10.626 1.477 1.00 40.13 C ATOM 0 H ILE A 38 -1.406 11.674 3.222 1.00 35.13 H new ATOM 0 HA ILE A 38 -0.339 9.150 2.956 1.00 1.40 H new ATOM 0 HB ILE A 38 0.592 11.424 4.775 1.00 52.11 H new ATOM 0 HG12 ILE A 38 0.254 12.166 2.463 1.00 2.13 H new ATOM 0 HG13 ILE A 38 1.960 12.137 2.862 1.00 2.13 H new ATOM 0 HG21 ILE A 38 2.851 10.476 4.507 1.00 34.41 H new ATOM 0 HG22 ILE A 38 1.746 9.337 5.313 1.00 34.41 H new ATOM 0 HG23 ILE A 38 2.166 9.108 3.599 1.00 34.41 H new ATOM 0 HD11 ILE A 38 1.571 11.253 0.611 1.00 40.13 H new ATOM 0 HD12 ILE A 38 2.214 9.982 1.678 1.00 40.13 H new ATOM 0 HD13 ILE A 38 0.481 10.011 1.273 1.00 40.13 H new ATOM 576 N TYR A 39 -1.271 9.734 6.088 1.00 34.40 N ATOM 577 CA TYR A 39 -1.600 9.079 7.361 1.00 13.41 C ATOM 578 C TYR A 39 -2.648 7.966 7.162 1.00 12.43 C ATOM 579 O TYR A 39 -2.463 6.841 7.629 1.00 22.04 O ATOM 580 CB TYR A 39 -2.100 10.115 8.380 1.00 72.04 C ATOM 581 CG TYR A 39 -2.429 9.528 9.742 1.00 30.22 C ATOM 582 CD1 TYR A 39 -1.421 9.067 10.585 1.00 34.11 C ATOM 583 CD2 TYR A 39 -3.744 9.427 10.180 1.00 53.21 C ATOM 584 CE1 TYR A 39 -1.718 8.528 11.824 1.00 64.10 C ATOM 585 CE2 TYR A 39 -4.047 8.889 11.413 1.00 75.31 C ATOM 586 CZ TYR A 39 -3.032 8.440 12.232 1.00 74.15 C ATOM 587 OH TYR A 39 -3.338 7.894 13.459 1.00 4.41 O ATOM 0 H TYR A 39 -1.456 10.737 6.072 1.00 34.40 H new ATOM 0 HA TYR A 39 -0.692 8.616 7.748 1.00 13.41 H new ATOM 0 HB2 TYR A 39 -1.340 10.887 8.502 1.00 72.04 H new ATOM 0 HB3 TYR A 39 -2.989 10.603 7.981 1.00 72.04 H new ATOM 0 HD1 TYR A 39 -0.391 9.131 10.266 1.00 34.11 H new ATOM 0 HD2 TYR A 39 -4.543 9.776 9.543 1.00 53.21 H new ATOM 0 HE1 TYR A 39 -0.925 8.178 12.468 1.00 64.10 H new ATOM 0 HE2 TYR A 39 -5.075 8.819 11.736 1.00 75.31 H new ATOM 0 HH TYR A 39 -4.309 7.909 13.591 1.00 4.41 H new ATOM 597 N GLN A 40 -3.735 8.288 6.454 1.00 43.34 N ATOM 598 CA GLN A 40 -4.783 7.306 6.129 1.00 60.14 C ATOM 599 C GLN A 40 -4.185 6.081 5.415 1.00 24.45 C ATOM 600 O GLN A 40 -4.415 4.934 5.810 1.00 13.41 O ATOM 601 CB GLN A 40 -5.853 7.959 5.237 1.00 4.31 C ATOM 602 CG GLN A 40 -6.997 7.025 4.840 1.00 33.42 C ATOM 603 CD GLN A 40 -7.953 6.728 5.986 1.00 72.30 C ATOM 604 OE1 GLN A 40 -7.761 5.792 6.758 1.00 43.44 O ATOM 605 NE2 GLN A 40 -9.005 7.511 6.095 1.00 63.23 N ATOM 0 H GLN A 40 -3.916 9.224 6.092 1.00 43.34 H new ATOM 0 HA GLN A 40 -5.241 6.972 7.060 1.00 60.14 H new ATOM 0 HB2 GLN A 40 -6.268 8.821 5.759 1.00 4.31 H new ATOM 0 HB3 GLN A 40 -5.375 8.334 4.332 1.00 4.31 H new ATOM 0 HG2 GLN A 40 -7.554 7.473 4.017 1.00 33.42 H new ATOM 0 HG3 GLN A 40 -6.581 6.088 4.470 1.00 33.42 H new ATOM 0 HE21 GLN A 40 -9.138 8.281 5.439 1.00 63.23 H new ATOM 0 HE22 GLN A 40 -9.687 7.348 6.835 1.00 63.23 H new ATOM 614 N VAL A 41 -3.401 6.338 4.367 1.00 15.12 N ATOM 615 CA VAL A 41 -2.743 5.274 3.603 1.00 51.12 C ATOM 616 C VAL A 41 -1.878 4.388 4.510 1.00 12.05 C ATOM 617 O VAL A 41 -1.991 3.160 4.481 1.00 45.51 O ATOM 618 CB VAL A 41 -1.861 5.859 2.472 1.00 15.51 C ATOM 619 CG1 VAL A 41 -1.133 4.753 1.710 1.00 45.10 C ATOM 620 CG2 VAL A 41 -2.704 6.703 1.521 1.00 34.14 C ATOM 0 H VAL A 41 -3.205 7.279 4.025 1.00 15.12 H new ATOM 0 HA VAL A 41 -3.533 4.666 3.162 1.00 51.12 H new ATOM 0 HB VAL A 41 -1.107 6.499 2.930 1.00 15.51 H new ATOM 0 HG11 VAL A 41 -0.522 5.195 0.923 1.00 45.10 H new ATOM 0 HG12 VAL A 41 -0.494 4.198 2.397 1.00 45.10 H new ATOM 0 HG13 VAL A 41 -1.863 4.076 1.266 1.00 45.10 H new ATOM 0 HG21 VAL A 41 -2.069 7.106 0.732 1.00 34.14 H new ATOM 0 HG22 VAL A 41 -3.483 6.083 1.078 1.00 34.14 H new ATOM 0 HG23 VAL A 41 -3.163 7.523 2.072 1.00 34.14 H new ATOM 630 N ARG A 42 -1.029 5.012 5.330 1.00 43.13 N ATOM 631 CA ARG A 42 -0.171 4.259 6.248 1.00 25.54 C ATOM 632 C ARG A 42 -0.991 3.433 7.242 1.00 13.25 C ATOM 633 O ARG A 42 -0.580 2.346 7.614 1.00 23.24 O ATOM 634 CB ARG A 42 0.811 5.166 7.004 1.00 45.41 C ATOM 635 CG ARG A 42 1.917 5.752 6.122 1.00 21.11 C ATOM 636 CD ARG A 42 3.195 6.028 6.913 1.00 61.14 C ATOM 637 NE ARG A 42 3.799 4.793 7.423 1.00 25.10 N ATOM 638 CZ ARG A 42 4.980 4.725 7.982 1.00 55.32 C ATOM 639 NH1 ARG A 42 5.688 5.793 8.167 1.00 62.01 N ATOM 640 NH2 ARG A 42 5.437 3.581 8.367 1.00 63.21 N ATOM 0 H ARG A 42 -0.917 6.025 5.378 1.00 43.13 H new ATOM 0 HA ARG A 42 0.410 3.578 5.627 1.00 25.54 H new ATOM 0 HB2 ARG A 42 0.255 5.983 7.464 1.00 45.41 H new ATOM 0 HB3 ARG A 42 1.268 4.596 7.813 1.00 45.41 H new ATOM 0 HG2 ARG A 42 2.136 5.060 5.309 1.00 21.11 H new ATOM 0 HG3 ARG A 42 1.565 6.678 5.667 1.00 21.11 H new ATOM 0 HD2 ARG A 42 3.912 6.547 6.276 1.00 61.14 H new ATOM 0 HD3 ARG A 42 2.970 6.693 7.747 1.00 61.14 H new ATOM 0 HE ARG A 42 3.263 3.930 7.336 1.00 25.10 H new ATOM 0 HH11 ARG A 42 5.327 6.701 7.876 1.00 62.01 H new ATOM 0 HH12 ARG A 42 6.607 5.726 8.604 1.00 62.01 H new ATOM 0 HH21 ARG A 42 4.878 2.738 8.235 1.00 63.21 H new ATOM 0 HH22 ARG A 42 6.357 3.520 8.804 1.00 63.21 H new ATOM 654 N LEU A 43 -2.150 3.931 7.669 1.00 1.22 N ATOM 655 CA LEU A 43 -3.020 3.150 8.558 1.00 2.40 C ATOM 656 C LEU A 43 -3.352 1.791 7.924 1.00 25.12 C ATOM 657 O LEU A 43 -3.230 0.744 8.561 1.00 74.24 O ATOM 658 CB LEU A 43 -4.311 3.914 8.884 1.00 12.31 C ATOM 659 CG LEU A 43 -4.123 5.193 9.717 1.00 64.51 C ATOM 660 CD1 LEU A 43 -5.466 5.861 9.991 1.00 11.24 C ATOM 661 CD2 LEU A 43 -3.393 4.886 11.023 1.00 12.12 C ATOM 0 H LEU A 43 -2.507 4.854 7.422 1.00 1.22 H new ATOM 0 HA LEU A 43 -2.482 2.983 9.491 1.00 2.40 H new ATOM 0 HB2 LEU A 43 -4.804 4.178 7.948 1.00 12.31 H new ATOM 0 HB3 LEU A 43 -4.984 3.246 9.421 1.00 12.31 H new ATOM 0 HG LEU A 43 -3.510 5.887 9.142 1.00 64.51 H new ATOM 0 HD11 LEU A 43 -5.310 6.764 10.582 1.00 11.24 H new ATOM 0 HD12 LEU A 43 -5.941 6.124 9.046 1.00 11.24 H new ATOM 0 HD13 LEU A 43 -6.108 5.174 10.542 1.00 11.24 H new ATOM 0 HD21 LEU A 43 -3.271 5.805 11.596 1.00 12.12 H new ATOM 0 HD22 LEU A 43 -3.973 4.170 11.605 1.00 12.12 H new ATOM 0 HD23 LEU A 43 -2.413 4.464 10.801 1.00 12.12 H new ATOM 673 N TYR A 44 -3.742 1.819 6.650 1.00 73.33 N ATOM 674 CA TYR A 44 -4.002 0.587 5.898 1.00 21.44 C ATOM 675 C TYR A 44 -2.714 -0.241 5.705 1.00 60.03 C ATOM 676 O TYR A 44 -2.722 -1.457 5.882 1.00 51.01 O ATOM 677 CB TYR A 44 -4.627 0.906 4.532 1.00 23.12 C ATOM 678 CG TYR A 44 -6.040 1.460 4.617 1.00 64.31 C ATOM 679 CD1 TYR A 44 -7.125 0.612 4.819 1.00 13.54 C ATOM 680 CD2 TYR A 44 -6.292 2.823 4.489 1.00 41.31 C ATOM 681 CE1 TYR A 44 -8.416 1.105 4.893 1.00 4.40 C ATOM 682 CE2 TYR A 44 -7.582 3.322 4.562 1.00 22.40 C ATOM 683 CZ TYR A 44 -8.639 2.461 4.764 1.00 70.11 C ATOM 684 OH TYR A 44 -9.927 2.954 4.841 1.00 34.54 O ATOM 0 H TYR A 44 -3.885 2.677 6.117 1.00 73.33 H new ATOM 0 HA TYR A 44 -4.705 -0.007 6.481 1.00 21.44 H new ATOM 0 HB2 TYR A 44 -3.995 1.627 4.013 1.00 23.12 H new ATOM 0 HB3 TYR A 44 -4.638 -0.001 3.928 1.00 23.12 H new ATOM 0 HD1 TYR A 44 -6.956 -0.450 4.920 1.00 13.54 H new ATOM 0 HD2 TYR A 44 -5.468 3.503 4.330 1.00 41.31 H new ATOM 0 HE1 TYR A 44 -9.245 0.432 5.051 1.00 4.40 H new ATOM 0 HE2 TYR A 44 -7.759 4.383 4.461 1.00 22.40 H new ATOM 0 HH TYR A 44 -9.912 3.928 4.732 1.00 34.54 H new ATOM 694 N LEU A 45 -1.612 0.430 5.363 1.00 63.23 N ATOM 695 CA LEU A 45 -0.334 -0.250 5.088 1.00 43.14 C ATOM 696 C LEU A 45 0.216 -0.960 6.335 1.00 72.24 C ATOM 697 O LEU A 45 0.576 -2.137 6.282 1.00 2.45 O ATOM 698 CB LEU A 45 0.703 0.755 4.562 1.00 12.03 C ATOM 699 CG LEU A 45 0.334 1.460 3.246 1.00 21.02 C ATOM 700 CD1 LEU A 45 1.430 2.438 2.832 1.00 21.11 C ATOM 701 CD2 LEU A 45 0.074 0.437 2.141 1.00 52.43 C ATOM 0 H LEU A 45 -1.574 1.445 5.268 1.00 63.23 H new ATOM 0 HA LEU A 45 -0.526 -1.007 4.328 1.00 43.14 H new ATOM 0 HB2 LEU A 45 0.868 1.514 5.327 1.00 12.03 H new ATOM 0 HB3 LEU A 45 1.650 0.233 4.421 1.00 12.03 H new ATOM 0 HG LEU A 45 -0.583 2.027 3.407 1.00 21.02 H new ATOM 0 HD11 LEU A 45 1.149 2.926 1.899 1.00 21.11 H new ATOM 0 HD12 LEU A 45 1.559 3.190 3.610 1.00 21.11 H new ATOM 0 HD13 LEU A 45 2.366 1.897 2.691 1.00 21.11 H new ATOM 0 HD21 LEU A 45 -0.186 0.956 1.218 1.00 52.43 H new ATOM 0 HD22 LEU A 45 0.971 -0.161 1.981 1.00 52.43 H new ATOM 0 HD23 LEU A 45 -0.749 -0.214 2.435 1.00 52.43 H new ATOM 713 N GLU A 46 0.277 -0.235 7.447 1.00 42.11 N ATOM 714 CA GLU A 46 0.760 -0.782 8.716 1.00 4.11 C ATOM 715 C GLU A 46 -0.054 -2.019 9.130 1.00 44.02 C ATOM 716 O GLU A 46 0.510 -3.042 9.522 1.00 54.01 O ATOM 717 CB GLU A 46 0.685 0.284 9.822 1.00 3.24 C ATOM 718 CG GLU A 46 1.483 1.560 9.543 1.00 31.43 C ATOM 719 CD GLU A 46 2.968 1.324 9.306 1.00 53.31 C ATOM 720 OE1 GLU A 46 3.640 0.780 10.210 1.00 42.12 O ATOM 721 OE2 GLU A 46 3.471 1.699 8.226 1.00 3.42 O ATOM 0 H GLU A 46 -0.005 0.744 7.497 1.00 42.11 H new ATOM 0 HA GLU A 46 1.799 -1.082 8.577 1.00 4.11 H new ATOM 0 HB2 GLU A 46 -0.360 0.553 9.977 1.00 3.24 H new ATOM 0 HB3 GLU A 46 1.043 -0.154 10.754 1.00 3.24 H new ATOM 0 HG2 GLU A 46 1.061 2.056 8.669 1.00 31.43 H new ATOM 0 HG3 GLU A 46 1.364 2.242 10.385 1.00 31.43 H new ATOM 728 N GLN A 47 -1.385 -1.927 9.031 1.00 51.25 N ATOM 729 CA GLN A 47 -2.254 -3.070 9.342 1.00 13.45 C ATOM 730 C GLN A 47 -1.989 -4.241 8.380 1.00 52.50 C ATOM 731 O GLN A 47 -1.775 -5.373 8.816 1.00 31.44 O ATOM 732 CB GLN A 47 -3.737 -2.666 9.299 1.00 54.44 C ATOM 733 CG GLN A 47 -4.114 -1.603 10.327 1.00 11.22 C ATOM 734 CD GLN A 47 -5.609 -1.332 10.382 1.00 42.13 C ATOM 735 OE1 GLN A 47 -6.324 -1.490 9.397 1.00 60.41 O ATOM 736 NE2 GLN A 47 -6.094 -0.911 11.533 1.00 40.34 N ATOM 0 H GLN A 47 -1.880 -1.084 8.742 1.00 51.25 H new ATOM 0 HA GLN A 47 -2.019 -3.397 10.355 1.00 13.45 H new ATOM 0 HB2 GLN A 47 -3.974 -2.295 8.302 1.00 54.44 H new ATOM 0 HB3 GLN A 47 -4.351 -3.552 9.464 1.00 54.44 H new ATOM 0 HG2 GLN A 47 -3.772 -1.921 11.312 1.00 11.22 H new ATOM 0 HG3 GLN A 47 -3.591 -0.676 10.091 1.00 11.22 H new ATOM 0 HE21 GLN A 47 -5.474 -0.789 12.334 1.00 40.34 H new ATOM 0 HE22 GLN A 47 -7.089 -0.707 11.623 1.00 40.34 H new ATOM 745 N LEU A 48 -1.978 -3.961 7.073 1.00 4.12 N ATOM 746 CA LEU A 48 -1.660 -4.983 6.061 1.00 23.21 C ATOM 747 C LEU A 48 -0.268 -5.592 6.306 1.00 33.42 C ATOM 748 O LEU A 48 -0.014 -6.751 5.972 1.00 12.53 O ATOM 749 CB LEU A 48 -1.743 -4.388 4.646 1.00 55.52 C ATOM 750 CG LEU A 48 -3.146 -3.947 4.193 1.00 23.15 C ATOM 751 CD1 LEU A 48 -3.090 -3.292 2.813 1.00 70.12 C ATOM 752 CD2 LEU A 48 -4.109 -5.132 4.188 1.00 31.50 C ATOM 0 H LEU A 48 -2.184 -3.039 6.688 1.00 4.12 H new ATOM 0 HA LEU A 48 -2.398 -5.780 6.147 1.00 23.21 H new ATOM 0 HB2 LEU A 48 -1.076 -3.527 4.593 1.00 55.52 H new ATOM 0 HB3 LEU A 48 -1.367 -5.126 3.938 1.00 55.52 H new ATOM 0 HG LEU A 48 -3.516 -3.209 4.905 1.00 23.15 H new ATOM 0 HD11 LEU A 48 -4.093 -2.988 2.513 1.00 70.12 H new ATOM 0 HD12 LEU A 48 -2.442 -2.416 2.852 1.00 70.12 H new ATOM 0 HD13 LEU A 48 -2.695 -4.004 2.088 1.00 70.12 H new ATOM 0 HD21 LEU A 48 -5.095 -4.798 3.865 1.00 31.50 H new ATOM 0 HD22 LEU A 48 -3.742 -5.896 3.503 1.00 31.50 H new ATOM 0 HD23 LEU A 48 -4.178 -5.549 5.193 1.00 31.50 H new ATOM 764 N HIS A 49 0.623 -4.807 6.895 1.00 32.31 N ATOM 765 CA HIS A 49 1.950 -5.286 7.291 1.00 51.42 C ATOM 766 C HIS A 49 1.849 -6.321 8.426 1.00 70.02 C ATOM 767 O HIS A 49 2.314 -7.454 8.296 1.00 63.31 O ATOM 768 CB HIS A 49 2.814 -4.094 7.733 1.00 32.13 C ATOM 769 CG HIS A 49 4.109 -4.478 8.381 1.00 50.22 C ATOM 770 ND1 HIS A 49 4.284 -4.504 9.749 1.00 53.22 N ATOM 771 CD2 HIS A 49 5.295 -4.851 7.847 1.00 73.25 C ATOM 772 CE1 HIS A 49 5.514 -4.876 10.025 1.00 45.31 C ATOM 773 NE2 HIS A 49 6.149 -5.093 8.891 1.00 40.44 N ATOM 0 H HIS A 49 0.453 -3.825 7.113 1.00 32.31 H new ATOM 0 HA HIS A 49 2.414 -5.774 6.434 1.00 51.42 H new ATOM 0 HB2 HIS A 49 3.027 -3.472 6.863 1.00 32.13 H new ATOM 0 HB3 HIS A 49 2.240 -3.483 8.429 1.00 32.13 H new ATOM 0 HD1 HIS A 49 3.570 -4.271 10.439 1.00 53.22 H new ATOM 0 HD2 HIS A 49 5.525 -4.941 6.796 1.00 73.25 H new ATOM 0 HE1 HIS A 49 5.933 -4.985 11.014 1.00 45.31 H new ATOM 782 N ASP A 50 1.222 -5.924 9.528 1.00 22.44 N ATOM 783 CA ASP A 50 1.128 -6.770 10.725 1.00 13.44 C ATOM 784 C ASP A 50 0.220 -8.003 10.530 1.00 63.54 C ATOM 785 O ASP A 50 0.371 -9.000 11.237 1.00 44.22 O ATOM 786 CB ASP A 50 0.651 -5.927 11.911 1.00 63.40 C ATOM 787 CG ASP A 50 1.725 -4.963 12.391 1.00 41.33 C ATOM 788 OD1 ASP A 50 2.060 -4.013 11.654 1.00 74.22 O ATOM 789 OD2 ASP A 50 2.247 -5.153 13.512 1.00 2.10 O ATOM 0 H ASP A 50 0.767 -5.016 9.623 1.00 22.44 H new ATOM 0 HA ASP A 50 2.126 -7.161 10.924 1.00 13.44 H new ATOM 0 HB2 ASP A 50 -0.238 -5.366 11.623 1.00 63.40 H new ATOM 0 HB3 ASP A 50 0.361 -6.585 12.730 1.00 63.40 H new ATOM 794 N VAL A 51 -0.719 -7.945 9.586 1.00 71.34 N ATOM 795 CA VAL A 51 -1.579 -9.106 9.297 1.00 70.25 C ATOM 796 C VAL A 51 -0.912 -10.086 8.311 1.00 43.43 C ATOM 797 O VAL A 51 -1.454 -11.153 8.022 1.00 21.31 O ATOM 798 CB VAL A 51 -2.968 -8.685 8.749 1.00 73.24 C ATOM 799 CG1 VAL A 51 -3.682 -7.767 9.742 1.00 34.01 C ATOM 800 CG2 VAL A 51 -2.837 -8.022 7.383 1.00 2.50 C ATOM 0 H VAL A 51 -0.907 -7.122 9.013 1.00 71.34 H new ATOM 0 HA VAL A 51 -1.724 -9.613 10.251 1.00 70.25 H new ATOM 0 HB VAL A 51 -3.573 -9.583 8.624 1.00 73.24 H new ATOM 0 HG11 VAL A 51 -4.654 -7.482 9.340 1.00 34.01 H new ATOM 0 HG12 VAL A 51 -3.820 -8.291 10.688 1.00 34.01 H new ATOM 0 HG13 VAL A 51 -3.082 -6.872 9.907 1.00 34.01 H new ATOM 0 HG21 VAL A 51 -3.825 -7.736 7.021 1.00 2.50 H new ATOM 0 HG22 VAL A 51 -2.211 -7.134 7.468 1.00 2.50 H new ATOM 0 HG23 VAL A 51 -2.382 -8.721 6.681 1.00 2.50 H new ATOM 810 N GLY A 52 0.265 -9.721 7.795 1.00 64.41 N ATOM 811 CA GLY A 52 1.041 -10.639 6.955 1.00 24.15 C ATOM 812 C GLY A 52 0.807 -10.479 5.451 1.00 65.35 C ATOM 813 O GLY A 52 1.130 -11.377 4.674 1.00 34.51 O ATOM 0 H GLY A 52 0.697 -8.809 7.941 1.00 64.41 H new ATOM 0 HA2 GLY A 52 2.101 -10.492 7.162 1.00 24.15 H new ATOM 0 HA3 GLY A 52 0.800 -11.663 7.240 1.00 24.15 H new ATOM 817 N VAL A 53 0.249 -9.342 5.037 1.00 32.33 N ATOM 818 CA VAL A 53 0.034 -9.065 3.608 1.00 52.30 C ATOM 819 C VAL A 53 1.240 -8.331 2.992 1.00 41.24 C ATOM 820 O VAL A 53 1.761 -8.729 1.950 1.00 40.31 O ATOM 821 CB VAL A 53 -1.252 -8.225 3.379 1.00 33.25 C ATOM 822 CG1 VAL A 53 -1.417 -7.862 1.900 1.00 21.23 C ATOM 823 CG2 VAL A 53 -2.484 -8.972 3.891 1.00 22.31 C ATOM 0 H VAL A 53 -0.062 -8.599 5.662 1.00 32.33 H new ATOM 0 HA VAL A 53 -0.084 -10.030 3.115 1.00 52.30 H new ATOM 0 HB VAL A 53 -1.152 -7.298 3.944 1.00 33.25 H new ATOM 0 HG11 VAL A 53 -2.325 -7.274 1.769 1.00 21.23 H new ATOM 0 HG12 VAL A 53 -0.557 -7.279 1.570 1.00 21.23 H new ATOM 0 HG13 VAL A 53 -1.486 -8.774 1.307 1.00 21.23 H new ATOM 0 HG21 VAL A 53 -3.374 -8.366 3.721 1.00 22.31 H new ATOM 0 HG22 VAL A 53 -2.583 -9.918 3.359 1.00 22.31 H new ATOM 0 HG23 VAL A 53 -2.375 -9.165 4.958 1.00 22.31 H new ATOM 833 N LEU A 54 1.682 -7.257 3.644 1.00 53.31 N ATOM 834 CA LEU A 54 2.801 -6.451 3.139 1.00 5.13 C ATOM 835 C LEU A 54 4.080 -6.670 3.959 1.00 70.34 C ATOM 836 O LEU A 54 4.066 -6.614 5.192 1.00 3.14 O ATOM 837 CB LEU A 54 2.427 -4.960 3.147 1.00 63.25 C ATOM 838 CG LEU A 54 1.219 -4.577 2.275 1.00 24.00 C ATOM 839 CD1 LEU A 54 0.952 -3.075 2.352 1.00 53.04 C ATOM 840 CD2 LEU A 54 1.437 -5.016 0.828 1.00 71.43 C ATOM 0 H LEU A 54 1.286 -6.922 4.522 1.00 53.31 H new ATOM 0 HA LEU A 54 3.000 -6.773 2.117 1.00 5.13 H new ATOM 0 HB2 LEU A 54 2.221 -4.660 4.175 1.00 63.25 H new ATOM 0 HB3 LEU A 54 3.291 -4.385 2.814 1.00 63.25 H new ATOM 0 HG LEU A 54 0.342 -5.098 2.659 1.00 24.00 H new ATOM 0 HD11 LEU A 54 0.094 -2.826 1.728 1.00 53.04 H new ATOM 0 HD12 LEU A 54 0.744 -2.795 3.385 1.00 53.04 H new ATOM 0 HD13 LEU A 54 1.828 -2.531 1.998 1.00 53.04 H new ATOM 0 HD21 LEU A 54 0.571 -4.736 0.228 1.00 71.43 H new ATOM 0 HD22 LEU A 54 2.327 -4.529 0.430 1.00 71.43 H new ATOM 0 HD23 LEU A 54 1.569 -6.097 0.792 1.00 71.43 H new ATOM 852 N GLU A 55 5.184 -6.918 3.259 1.00 52.12 N ATOM 853 CA GLU A 55 6.500 -7.087 3.883 1.00 71.42 C ATOM 854 C GLU A 55 7.346 -5.807 3.743 1.00 74.51 C ATOM 855 O GLU A 55 7.282 -5.114 2.722 1.00 33.53 O ATOM 856 CB GLU A 55 7.225 -8.287 3.253 1.00 35.23 C ATOM 857 CG GLU A 55 8.595 -8.572 3.856 1.00 63.34 C ATOM 858 CD GLU A 55 9.219 -9.851 3.319 1.00 42.51 C ATOM 859 OE1 GLU A 55 9.753 -9.832 2.192 1.00 72.13 O ATOM 860 OE2 GLU A 55 9.173 -10.882 4.021 1.00 51.01 O ATOM 0 H GLU A 55 5.195 -7.008 2.243 1.00 52.12 H new ATOM 0 HA GLU A 55 6.358 -7.277 4.947 1.00 71.42 H new ATOM 0 HB2 GLU A 55 6.600 -9.174 3.362 1.00 35.23 H new ATOM 0 HB3 GLU A 55 7.340 -8.108 2.184 1.00 35.23 H new ATOM 0 HG2 GLU A 55 9.260 -7.734 3.649 1.00 63.34 H new ATOM 0 HG3 GLU A 55 8.502 -8.645 4.940 1.00 63.34 H new ATOM 867 N LYS A 56 8.131 -5.507 4.778 1.00 23.11 N ATOM 868 CA LYS A 56 8.935 -4.275 4.838 1.00 70.13 C ATOM 869 C LYS A 56 10.053 -4.237 3.772 1.00 23.04 C ATOM 870 O LYS A 56 10.690 -5.253 3.477 1.00 65.45 O ATOM 871 CB LYS A 56 9.564 -4.120 6.240 1.00 0.21 C ATOM 872 CG LYS A 56 10.788 -5.012 6.496 1.00 31.05 C ATOM 873 CD LYS A 56 10.459 -6.503 6.416 1.00 34.34 C ATOM 874 CE LYS A 56 11.714 -7.368 6.456 1.00 4.54 C ATOM 875 NZ LYS A 56 12.469 -7.212 7.728 1.00 41.14 N ATOM 0 H LYS A 56 8.231 -6.105 5.598 1.00 23.11 H new ATOM 0 HA LYS A 56 8.256 -3.448 4.632 1.00 70.13 H new ATOM 0 HB2 LYS A 56 9.854 -3.079 6.380 1.00 0.21 H new ATOM 0 HB3 LYS A 56 8.805 -4.343 6.990 1.00 0.21 H new ATOM 0 HG2 LYS A 56 11.563 -4.776 5.767 1.00 31.05 H new ATOM 0 HG3 LYS A 56 11.197 -4.787 7.481 1.00 31.05 H new ATOM 0 HD2 LYS A 56 9.805 -6.775 7.244 1.00 34.34 H new ATOM 0 HD3 LYS A 56 9.909 -6.704 5.497 1.00 34.34 H new ATOM 0 HE2 LYS A 56 11.435 -8.414 6.328 1.00 4.54 H new ATOM 0 HE3 LYS A 56 12.360 -7.105 5.618 1.00 4.54 H new ATOM 0 HZ1 LYS A 56 13.294 -7.845 7.722 1.00 41.14 H new ATOM 0 HZ2 LYS A 56 12.788 -6.227 7.824 1.00 41.14 H new ATOM 0 HZ3 LYS A 56 11.853 -7.455 8.530 1.00 41.14 H new ATOM 889 N VAL A 57 10.283 -3.053 3.198 1.00 73.51 N ATOM 890 CA VAL A 57 11.425 -2.827 2.298 1.00 31.42 C ATOM 891 C VAL A 57 12.143 -1.510 2.640 1.00 45.04 C ATOM 892 O VAL A 57 11.656 -0.427 2.307 1.00 61.31 O ATOM 893 CB VAL A 57 10.998 -2.788 0.806 1.00 64.21 C ATOM 894 CG1 VAL A 57 12.214 -2.610 -0.108 1.00 63.12 C ATOM 895 CG2 VAL A 57 10.221 -4.043 0.428 1.00 25.22 C ATOM 0 H VAL A 57 9.694 -2.232 3.339 1.00 73.51 H new ATOM 0 HA VAL A 57 12.101 -3.669 2.445 1.00 31.42 H new ATOM 0 HB VAL A 57 10.342 -1.928 0.670 1.00 64.21 H new ATOM 0 HG11 VAL A 57 11.887 -2.586 -1.148 1.00 63.12 H new ATOM 0 HG12 VAL A 57 12.719 -1.675 0.136 1.00 63.12 H new ATOM 0 HG13 VAL A 57 12.903 -3.442 0.037 1.00 63.12 H new ATOM 0 HG21 VAL A 57 9.934 -3.991 -0.622 1.00 25.22 H new ATOM 0 HG22 VAL A 57 10.847 -4.921 0.590 1.00 25.22 H new ATOM 0 HG23 VAL A 57 9.326 -4.117 1.046 1.00 25.22 H new ATOM 905 N ASN A 58 13.288 -1.616 3.331 1.00 34.22 N ATOM 906 CA ASN A 58 14.124 -0.451 3.681 1.00 53.42 C ATOM 907 C ASN A 58 13.298 0.686 4.319 1.00 13.43 C ATOM 908 O ASN A 58 12.837 1.597 3.627 1.00 24.13 O ATOM 909 CB ASN A 58 14.865 0.059 2.431 1.00 5.23 C ATOM 910 CG ASN A 58 15.851 1.171 2.740 1.00 30.22 C ATOM 911 OD1 ASN A 58 17.025 0.927 3.003 1.00 61.23 O ATOM 912 ND2 ASN A 58 15.382 2.400 2.719 1.00 14.45 N ATOM 0 H ASN A 58 13.662 -2.505 3.663 1.00 34.22 H new ATOM 0 HA ASN A 58 14.851 -0.777 4.425 1.00 53.42 H new ATOM 0 HB2 ASN A 58 15.396 -0.771 1.966 1.00 5.23 H new ATOM 0 HB3 ASN A 58 14.136 0.418 1.704 1.00 5.23 H new ATOM 0 HD21 ASN A 58 16.000 3.185 2.925 1.00 14.45 H new ATOM 0 HD22 ASN A 58 14.401 2.568 2.496 1.00 14.45 H new ATOM 919 N ALA A 59 13.117 0.638 5.639 1.00 62.12 N ATOM 920 CA ALA A 59 12.260 1.613 6.326 1.00 13.51 C ATOM 921 C ALA A 59 12.604 1.770 7.815 1.00 33.31 C ATOM 922 O ALA A 59 13.461 1.069 8.353 1.00 15.41 O ATOM 923 CB ALA A 59 10.800 1.219 6.168 1.00 25.45 C ATOM 0 H ALA A 59 13.546 -0.056 6.251 1.00 62.12 H new ATOM 0 HA ALA A 59 12.440 2.581 5.857 1.00 13.51 H new ATOM 0 HB1 ALA A 59 10.169 1.946 6.680 1.00 25.45 H new ATOM 0 HB2 ALA A 59 10.542 1.196 5.109 1.00 25.45 H new ATOM 0 HB3 ALA A 59 10.641 0.232 6.602 1.00 25.45 H new ATOM 929 N GLY A 60 11.915 2.707 8.468 1.00 45.41 N ATOM 930 CA GLY A 60 12.166 3.013 9.874 1.00 62.31 C ATOM 931 C GLY A 60 12.029 4.505 10.166 1.00 74.33 C ATOM 932 O GLY A 60 10.917 5.040 10.186 1.00 63.30 O ATOM 0 H GLY A 60 11.177 3.268 8.043 1.00 45.41 H new ATOM 0 HA2 GLY A 60 11.467 2.456 10.497 1.00 62.31 H new ATOM 0 HA3 GLY A 60 13.168 2.681 10.144 1.00 62.31 H new ATOM 936 N LYS A 61 13.158 5.180 10.385 1.00 75.22 N ATOM 937 CA LYS A 61 13.176 6.641 10.566 1.00 62.23 C ATOM 938 C LYS A 61 14.201 7.300 9.628 1.00 22.40 C ATOM 939 O LYS A 61 15.322 6.811 9.469 1.00 53.54 O ATOM 940 CB LYS A 61 13.486 7.007 12.024 1.00 64.03 C ATOM 941 CG LYS A 61 12.412 6.564 13.014 1.00 72.02 C ATOM 942 CD LYS A 61 12.693 7.071 14.426 1.00 73.23 C ATOM 943 CE LYS A 61 13.983 6.499 14.998 1.00 14.23 C ATOM 944 NZ LYS A 61 13.921 5.021 15.149 1.00 13.20 N ATOM 0 H LYS A 61 14.077 4.741 10.442 1.00 75.22 H new ATOM 0 HA LYS A 61 12.185 7.018 10.315 1.00 62.23 H new ATOM 0 HB2 LYS A 61 14.436 6.555 12.308 1.00 64.03 H new ATOM 0 HB3 LYS A 61 13.612 8.087 12.098 1.00 64.03 H new ATOM 0 HG2 LYS A 61 11.440 6.931 12.683 1.00 72.02 H new ATOM 0 HG3 LYS A 61 12.355 5.476 13.024 1.00 72.02 H new ATOM 0 HD2 LYS A 61 12.755 8.159 14.414 1.00 73.23 H new ATOM 0 HD3 LYS A 61 11.860 6.806 15.077 1.00 73.23 H new ATOM 0 HE2 LYS A 61 14.816 6.762 14.346 1.00 14.23 H new ATOM 0 HE3 LYS A 61 14.182 6.954 15.968 1.00 14.23 H new ATOM 0 HZ1 LYS A 61 14.744 4.693 15.694 1.00 13.20 H new ATOM 0 HZ2 LYS A 61 13.048 4.760 15.650 1.00 13.20 H new ATOM 0 HZ3 LYS A 61 13.928 4.575 14.209 1.00 13.20 H new ATOM 958 N GLY A 62 13.807 8.411 9.006 1.00 52.05 N ATOM 959 CA GLY A 62 14.662 9.070 8.022 1.00 40.41 C ATOM 960 C GLY A 62 14.638 8.365 6.670 1.00 45.21 C ATOM 961 O GLY A 62 15.405 8.700 5.765 1.00 35.12 O ATOM 0 H GLY A 62 12.910 8.869 9.165 1.00 52.05 H new ATOM 0 HA2 GLY A 62 14.338 10.103 7.896 1.00 40.41 H new ATOM 0 HA3 GLY A 62 15.686 9.100 8.395 1.00 40.41 H new ATOM 965 N VAL A 63 13.736 7.394 6.534 1.00 60.32 N ATOM 966 CA VAL A 63 13.626 6.569 5.324 1.00 74.21 C ATOM 967 C VAL A 63 12.156 6.331 4.939 1.00 53.41 C ATOM 968 O VAL A 63 11.373 5.812 5.740 1.00 72.41 O ATOM 969 CB VAL A 63 14.322 5.190 5.507 1.00 40.01 C ATOM 970 CG1 VAL A 63 15.822 5.288 5.261 1.00 1.43 C ATOM 971 CG2 VAL A 63 14.052 4.638 6.902 1.00 12.42 C ATOM 0 H VAL A 63 13.059 7.154 7.258 1.00 60.32 H new ATOM 0 HA VAL A 63 14.125 7.121 4.528 1.00 74.21 H new ATOM 0 HB VAL A 63 13.904 4.506 4.768 1.00 40.01 H new ATOM 0 HG11 VAL A 63 16.278 4.307 5.397 1.00 1.43 H new ATOM 0 HG12 VAL A 63 16.002 5.634 4.243 1.00 1.43 H new ATOM 0 HG13 VAL A 63 16.261 5.993 5.967 1.00 1.43 H new ATOM 0 HG21 VAL A 63 14.546 3.673 7.013 1.00 12.42 H new ATOM 0 HG22 VAL A 63 14.438 5.332 7.649 1.00 12.42 H new ATOM 0 HG23 VAL A 63 12.978 4.514 7.043 1.00 12.42 H new ATOM 981 N PRO A 64 11.757 6.723 3.713 1.00 21.33 N ATOM 982 CA PRO A 64 10.403 6.457 3.192 1.00 40.52 C ATOM 983 C PRO A 64 10.120 4.953 3.036 1.00 2.24 C ATOM 984 O PRO A 64 10.718 4.287 2.191 1.00 31.21 O ATOM 985 CB PRO A 64 10.400 7.153 1.817 1.00 25.43 C ATOM 986 CG PRO A 64 11.543 8.113 1.863 1.00 14.32 C ATOM 987 CD PRO A 64 12.577 7.468 2.744 1.00 73.51 C ATOM 0 HA PRO A 64 9.630 6.822 3.868 1.00 40.52 H new ATOM 0 HB2 PRO A 64 10.524 6.431 1.010 1.00 25.43 H new ATOM 0 HB3 PRO A 64 9.457 7.671 1.640 1.00 25.43 H new ATOM 0 HG2 PRO A 64 11.939 8.299 0.865 1.00 14.32 H new ATOM 0 HG3 PRO A 64 11.230 9.076 2.266 1.00 14.32 H new ATOM 0 HD2 PRO A 64 13.236 6.808 2.179 1.00 73.51 H new ATOM 0 HD3 PRO A 64 13.210 8.208 3.234 1.00 73.51 H new ATOM 995 N GLY A 65 9.211 4.431 3.860 1.00 73.20 N ATOM 996 CA GLY A 65 8.897 3.008 3.838 1.00 1.44 C ATOM 997 C GLY A 65 8.449 2.487 2.473 1.00 53.30 C ATOM 998 O GLY A 65 7.493 3.002 1.880 1.00 31.23 O ATOM 0 H GLY A 65 8.684 4.971 4.546 1.00 73.20 H new ATOM 0 HA2 GLY A 65 9.776 2.448 4.157 1.00 1.44 H new ATOM 0 HA3 GLY A 65 8.111 2.809 4.566 1.00 1.44 H new ATOM 1002 N LEU A 66 9.150 1.474 1.967 1.00 54.52 N ATOM 1003 CA LEU A 66 8.759 0.798 0.729 1.00 41.32 C ATOM 1004 C LEU A 66 8.076 -0.542 1.055 1.00 65.42 C ATOM 1005 O LEU A 66 8.455 -1.222 2.011 1.00 24.35 O ATOM 1006 CB LEU A 66 9.990 0.573 -0.159 1.00 33.50 C ATOM 1007 CG LEU A 66 10.815 1.838 -0.464 1.00 42.45 C ATOM 1008 CD1 LEU A 66 12.049 1.497 -1.297 1.00 44.34 C ATOM 1009 CD2 LEU A 66 9.963 2.891 -1.174 1.00 34.45 C ATOM 0 H LEU A 66 9.996 1.101 2.397 1.00 54.52 H new ATOM 0 HA LEU A 66 8.052 1.426 0.187 1.00 41.32 H new ATOM 0 HB2 LEU A 66 10.639 -0.157 0.324 1.00 33.50 H new ATOM 0 HB3 LEU A 66 9.663 0.135 -1.102 1.00 33.50 H new ATOM 0 HG LEU A 66 11.148 2.255 0.486 1.00 42.45 H new ATOM 0 HD11 LEU A 66 12.614 2.407 -1.499 1.00 44.34 H new ATOM 0 HD12 LEU A 66 12.676 0.794 -0.748 1.00 44.34 H new ATOM 0 HD13 LEU A 66 11.738 1.046 -2.240 1.00 44.34 H new ATOM 0 HD21 LEU A 66 10.570 3.773 -1.377 1.00 34.45 H new ATOM 0 HD22 LEU A 66 9.589 2.483 -2.113 1.00 34.45 H new ATOM 0 HD23 LEU A 66 9.122 3.168 -0.538 1.00 34.45 H new ATOM 1021 N TRP A 67 7.069 -0.917 0.270 1.00 60.03 N ATOM 1022 CA TRP A 67 6.269 -2.112 0.565 1.00 63.21 C ATOM 1023 C TRP A 67 6.309 -3.139 -0.576 1.00 14.43 C ATOM 1024 O TRP A 67 6.424 -2.786 -1.754 1.00 22.14 O ATOM 1025 CB TRP A 67 4.815 -1.704 0.841 1.00 60.15 C ATOM 1026 CG TRP A 67 4.684 -0.690 1.944 1.00 24.34 C ATOM 1027 CD1 TRP A 67 4.553 0.662 1.802 1.00 21.33 C ATOM 1028 CD2 TRP A 67 4.688 -0.948 3.354 1.00 3.02 C ATOM 1029 NE1 TRP A 67 4.469 1.260 3.035 1.00 72.13 N ATOM 1030 CE2 TRP A 67 4.546 0.292 4.005 1.00 4.25 C ATOM 1031 CE3 TRP A 67 4.788 -2.107 4.129 1.00 50.32 C ATOM 1032 CZ2 TRP A 67 4.513 0.407 5.391 1.00 4.11 C ATOM 1033 CZ3 TRP A 67 4.754 -1.991 5.507 1.00 51.41 C ATOM 1034 CH2 TRP A 67 4.613 -0.742 6.126 1.00 51.01 C ATOM 0 H TRP A 67 6.785 -0.416 -0.572 1.00 60.03 H new ATOM 0 HA TRP A 67 6.703 -2.586 1.446 1.00 63.21 H new ATOM 0 HB2 TRP A 67 4.379 -1.297 -0.071 1.00 60.15 H new ATOM 0 HB3 TRP A 67 4.238 -2.592 1.102 1.00 60.15 H new ATOM 0 HD1 TRP A 67 4.520 1.185 0.857 1.00 21.33 H new ATOM 0 HE1 TRP A 67 4.366 2.261 3.203 1.00 72.13 H new ATOM 0 HE3 TRP A 67 4.890 -3.075 3.661 1.00 50.32 H new ATOM 0 HZ2 TRP A 67 4.412 1.370 5.870 1.00 4.11 H new ATOM 0 HZ3 TRP A 67 4.838 -2.879 6.116 1.00 51.41 H new ATOM 0 HH2 TRP A 67 4.583 -0.686 7.204 1.00 51.01 H new ATOM 1045 N ARG A 68 6.225 -4.418 -0.212 1.00 32.40 N ATOM 1046 CA ARG A 68 6.107 -5.505 -1.191 1.00 40.34 C ATOM 1047 C ARG A 68 5.291 -6.667 -0.605 1.00 71.14 C ATOM 1048 O ARG A 68 5.509 -7.068 0.535 1.00 44.43 O ATOM 1049 CB ARG A 68 7.501 -6.008 -1.613 1.00 33.44 C ATOM 1050 CG ARG A 68 8.245 -6.762 -0.511 1.00 51.24 C ATOM 1051 CD ARG A 68 9.621 -7.242 -0.960 1.00 55.30 C ATOM 1052 NE ARG A 68 10.303 -7.981 0.099 1.00 10.12 N ATOM 1053 CZ ARG A 68 11.596 -8.002 0.279 1.00 35.20 C ATOM 1054 NH1 ARG A 68 12.392 -7.357 -0.514 1.00 35.31 N ATOM 1055 NH2 ARG A 68 12.089 -8.680 1.261 1.00 41.44 N ATOM 0 H ARG A 68 6.236 -4.731 0.759 1.00 32.40 H new ATOM 0 HA ARG A 68 5.592 -5.117 -2.070 1.00 40.34 H new ATOM 0 HB2 ARG A 68 7.394 -6.661 -2.479 1.00 33.44 H new ATOM 0 HB3 ARG A 68 8.104 -5.157 -1.928 1.00 33.44 H new ATOM 0 HG2 ARG A 68 8.356 -6.113 0.358 1.00 51.24 H new ATOM 0 HG3 ARG A 68 7.650 -7.619 -0.196 1.00 51.24 H new ATOM 0 HD2 ARG A 68 9.516 -7.878 -1.839 1.00 55.30 H new ATOM 0 HD3 ARG A 68 10.227 -6.386 -1.256 1.00 55.30 H new ATOM 0 HE ARG A 68 9.727 -8.520 0.745 1.00 10.12 H new ATOM 0 HH11 ARG A 68 12.011 -6.822 -1.294 1.00 35.31 H new ATOM 0 HH12 ARG A 68 13.400 -7.385 -0.358 1.00 35.31 H new ATOM 0 HH21 ARG A 68 11.470 -9.193 1.888 1.00 41.44 H new ATOM 0 HH22 ARG A 68 13.098 -8.702 1.410 1.00 41.44 H new ATOM 1069 N LEU A 69 4.340 -7.199 -1.362 1.00 74.12 N ATOM 1070 CA LEU A 69 3.605 -8.389 -0.918 1.00 61.02 C ATOM 1071 C LEU A 69 4.493 -9.644 -1.000 1.00 44.25 C ATOM 1072 O LEU A 69 5.535 -9.634 -1.661 1.00 33.32 O ATOM 1073 CB LEU A 69 2.296 -8.559 -1.717 1.00 62.32 C ATOM 1074 CG LEU A 69 2.400 -8.447 -3.251 1.00 43.55 C ATOM 1075 CD1 LEU A 69 3.101 -9.658 -3.858 1.00 43.22 C ATOM 1076 CD2 LEU A 69 1.013 -8.266 -3.865 1.00 5.11 C ATOM 0 H LEU A 69 4.058 -6.837 -2.273 1.00 74.12 H new ATOM 0 HA LEU A 69 3.330 -8.252 0.128 1.00 61.02 H new ATOM 0 HB2 LEU A 69 1.874 -9.535 -1.475 1.00 62.32 H new ATOM 0 HB3 LEU A 69 1.585 -7.809 -1.369 1.00 62.32 H new ATOM 0 HG LEU A 69 3.005 -7.570 -3.480 1.00 43.55 H new ATOM 0 HD11 LEU A 69 3.155 -9.542 -4.940 1.00 43.22 H new ATOM 0 HD12 LEU A 69 4.109 -9.737 -3.451 1.00 43.22 H new ATOM 0 HD13 LEU A 69 2.541 -10.561 -3.617 1.00 43.22 H new ATOM 0 HD21 LEU A 69 1.102 -8.188 -4.949 1.00 5.11 H new ATOM 0 HD22 LEU A 69 0.389 -9.123 -3.613 1.00 5.11 H new ATOM 0 HD23 LEU A 69 0.557 -7.357 -3.472 1.00 5.11 H new ATOM 1088 N LEU A 70 4.084 -10.713 -0.320 1.00 31.54 N ATOM 1089 CA LEU A 70 4.893 -11.938 -0.242 1.00 73.33 C ATOM 1090 C LEU A 70 4.989 -12.660 -1.601 1.00 44.52 C ATOM 1091 O LEU A 70 4.202 -13.565 -1.890 1.00 54.21 O ATOM 1092 CB LEU A 70 4.322 -12.889 0.823 1.00 22.10 C ATOM 1093 CG LEU A 70 4.238 -12.311 2.247 1.00 14.14 C ATOM 1094 CD1 LEU A 70 3.641 -13.333 3.212 1.00 61.43 C ATOM 1095 CD2 LEU A 70 5.614 -11.849 2.727 1.00 1.14 C ATOM 0 H LEU A 70 3.199 -10.761 0.186 1.00 31.54 H new ATOM 0 HA LEU A 70 5.902 -11.640 0.042 1.00 73.33 H new ATOM 0 HB2 LEU A 70 3.323 -13.195 0.514 1.00 22.10 H new ATOM 0 HB3 LEU A 70 4.937 -13.788 0.850 1.00 22.10 H new ATOM 0 HG LEU A 70 3.579 -11.443 2.223 1.00 14.14 H new ATOM 0 HD11 LEU A 70 3.591 -12.903 4.212 1.00 61.43 H new ATOM 0 HD12 LEU A 70 2.637 -13.602 2.882 1.00 61.43 H new ATOM 0 HD13 LEU A 70 4.268 -14.225 3.231 1.00 61.43 H new ATOM 0 HD21 LEU A 70 5.530 -11.444 3.736 1.00 1.14 H new ATOM 0 HD22 LEU A 70 6.301 -12.695 2.731 1.00 1.14 H new ATOM 0 HD23 LEU A 70 5.993 -11.078 2.057 1.00 1.14 H new ATOM 1107 N GLU A 71 5.964 -12.243 -2.417 1.00 15.43 N ATOM 1108 CA GLU A 71 6.214 -12.828 -3.754 1.00 40.44 C ATOM 1109 C GLU A 71 5.067 -12.552 -4.756 1.00 5.35 C ATOM 1110 O GLU A 71 5.168 -11.564 -5.521 1.00 38.71 O ATOM 1111 CB GLU A 71 6.504 -14.342 -3.654 1.00 50.10 C ATOM 1112 CG GLU A 71 7.893 -14.682 -3.101 1.00 33.11 C ATOM 1113 CD GLU A 71 8.081 -14.307 -1.635 1.00 52.11 C ATOM 1114 OE1 GLU A 71 7.743 -15.135 -0.758 1.00 13.43 O ATOM 1115 OE2 GLU A 71 8.583 -13.198 -1.351 1.00 14.53 O ATOM 0 H GLU A 71 6.607 -11.489 -2.175 1.00 15.43 H new ATOM 0 HA GLU A 71 7.100 -12.329 -4.147 1.00 40.44 H new ATOM 0 HB2 GLU A 71 5.749 -14.804 -3.017 1.00 50.10 H new ATOM 0 HB3 GLU A 71 6.401 -14.786 -4.644 1.00 50.10 H new ATOM 0 HG2 GLU A 71 8.069 -15.751 -3.218 1.00 33.11 H new ATOM 0 HG3 GLU A 71 8.647 -14.168 -3.697 1.00 33.11 H new TER 1122 GLU A 71