USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 532 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 4 MET CE :methyl -160:sc= -0.111 (180deg=-0.612) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 37 LYS NZ :NH3+ -165:sc= 3.25 (180deg=0.695) USER MOD Set 2.2: A 39 THR OG1 : rot -150:sc= 0.125 USER MOD Set 2.3: A 45 GLN : amide:sc= 0.954 K(o=4.3,f=-5.2!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0285 (180deg=-0.417) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.108) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.19) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.511 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -1.33 X(o=-1.3,f=-1.5) USER MOD Single : A 13 SER OG : rot 180:sc= -0.368 USER MOD Single : A 15 TYR OH : rot -17:sc= 0.309 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -136:sc= 0.0231 (180deg=-0.381) USER MOD Single : A 28 MET CE :methyl -120:sc= -0.336 (180deg=-3.48!) USER MOD Single : A 30 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.2!) USER MOD Single : A 42 ASN : amide:sc= -0.767 X(o=-0.77,f=-0.28) USER MOD Single : A 51 MET CE :methyl 155:sc= 0 (180deg=-0.231) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00585 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 0.21 (180deg=0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.063 0.663 -2.334 1.00 0.00 N ATOM 2 CA MET A 1 3.388 -0.034 -1.215 1.00 0.00 C ATOM 3 C MET A 1 3.099 -1.479 -1.605 1.00 0.00 C ATOM 4 O MET A 1 2.449 -1.738 -2.620 1.00 0.00 O ATOM 5 CB MET A 1 2.088 0.691 -0.833 1.00 0.00 C ATOM 6 CG MET A 1 2.307 2.106 -0.306 1.00 0.00 C ATOM 7 SD MET A 1 0.767 2.917 0.178 1.00 0.00 S ATOM 8 CE MET A 1 1.387 4.487 0.782 1.00 0.00 C ATOM 0 H1 MET A 1 4.394 1.595 -2.013 1.00 0.00 H new ATOM 0 H2 MET A 1 4.876 0.099 -2.655 1.00 0.00 H new ATOM 0 H3 MET A 1 3.394 0.785 -3.121 1.00 0.00 H new ATOM 0 HA MET A 1 4.048 -0.028 -0.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.437 0.735 -1.706 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.566 0.107 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.979 2.070 0.552 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.801 2.702 -1.073 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.633 4.957 1.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.295 4.321 1.362 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.610 5.139 -0.062 1.00 0.00 H new ATOM 18 N LYS A 2 3.576 -2.416 -0.792 1.00 0.00 N ATOM 19 CA LYS A 2 3.501 -3.837 -1.115 1.00 0.00 C ATOM 20 C LYS A 2 2.366 -4.511 -0.354 1.00 0.00 C ATOM 21 O LYS A 2 2.329 -4.480 0.878 1.00 0.00 O ATOM 22 CB LYS A 2 4.833 -4.517 -0.767 1.00 0.00 C ATOM 23 CG LYS A 2 4.828 -6.031 -0.968 1.00 0.00 C ATOM 24 CD LYS A 2 6.160 -6.664 -0.576 1.00 0.00 C ATOM 25 CE LYS A 2 6.152 -8.174 -0.783 1.00 0.00 C ATOM 26 NZ LYS A 2 7.457 -8.787 -0.427 1.00 0.00 N ATOM 0 H LYS A 2 4.022 -2.214 0.103 1.00 0.00 H new ATOM 0 HA LYS A 2 3.305 -3.937 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.622 -4.082 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.080 -4.299 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.028 -6.473 -0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.612 -6.257 -2.012 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.961 -6.220 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.374 -6.442 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.364 -8.620 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.918 -8.397 -1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.412 -9.814 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.206 -8.380 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.669 -8.596 0.573 1.00 0.00 H new ATOM 40 N VAL A 3 1.437 -5.108 -1.088 1.00 0.00 N ATOM 41 CA VAL A 3 0.385 -5.913 -0.487 1.00 0.00 C ATOM 42 C VAL A 3 0.183 -7.184 -1.310 1.00 0.00 C ATOM 43 O VAL A 3 0.055 -7.130 -2.535 1.00 0.00 O ATOM 44 CB VAL A 3 -0.946 -5.123 -0.356 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.535 -4.774 -1.723 1.00 0.00 C ATOM 46 CG2 VAL A 3 -1.945 -5.897 0.495 1.00 0.00 C ATOM 0 H VAL A 3 1.392 -5.049 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 3 0.695 -6.181 0.523 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.726 -4.181 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.465 -4.222 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.826 -4.160 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.734 -5.691 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.871 -5.328 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.150 -6.861 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.529 -6.056 1.490 1.00 0.00 H new ATOM 56 N MET A 4 0.184 -8.328 -0.641 1.00 0.00 N ATOM 57 CA MET A 4 0.103 -9.616 -1.321 1.00 0.00 C ATOM 58 C MET A 4 -1.313 -10.173 -1.250 1.00 0.00 C ATOM 59 O MET A 4 -1.815 -10.475 -0.166 1.00 0.00 O ATOM 60 CB MET A 4 1.095 -10.607 -0.694 1.00 0.00 C ATOM 61 CG MET A 4 1.089 -11.989 -1.340 1.00 0.00 C ATOM 62 SD MET A 4 2.269 -13.119 -0.571 1.00 0.00 S ATOM 63 CE MET A 4 3.819 -12.280 -0.901 1.00 0.00 C ATOM 0 H MET A 4 0.240 -8.392 0.375 1.00 0.00 H new ATOM 0 HA MET A 4 0.363 -9.470 -2.370 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.100 -10.190 -0.762 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.865 -10.713 0.366 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.087 -12.414 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.323 -11.892 -2.400 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.642 -12.990 -0.817 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.800 -11.864 -1.908 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.958 -11.476 -0.179 1.00 0.00 H new ATOM 73 N ILE A 5 -1.957 -10.292 -2.405 1.00 0.00 N ATOM 74 CA ILE A 5 -3.294 -10.868 -2.495 1.00 0.00 C ATOM 75 C ILE A 5 -3.188 -12.344 -2.867 1.00 0.00 C ATOM 76 O ILE A 5 -2.699 -12.686 -3.948 1.00 0.00 O ATOM 77 CB ILE A 5 -4.162 -10.138 -3.551 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.202 -8.624 -3.272 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.578 -10.720 -3.582 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.798 -8.255 -1.927 1.00 0.00 C ATOM 0 H ILE A 5 -1.570 -9.994 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.774 -10.754 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.708 -10.291 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.188 -8.229 -3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.778 -8.136 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.171 -10.194 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.531 -11.779 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.041 -10.602 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.789 -7.171 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.825 -8.617 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.210 -8.711 -1.131 1.00 0.00 H new ATOM 92 N ARG A 6 -3.631 -13.213 -1.969 1.00 0.00 N ATOM 93 CA ARG A 6 -3.557 -14.651 -2.192 1.00 0.00 C ATOM 94 C ARG A 6 -4.886 -15.189 -2.708 1.00 0.00 C ATOM 95 O ARG A 6 -5.942 -14.973 -2.104 1.00 0.00 O ATOM 96 CB ARG A 6 -3.135 -15.377 -0.906 1.00 0.00 C ATOM 97 CG ARG A 6 -1.695 -15.082 -0.497 1.00 0.00 C ATOM 98 CD ARG A 6 -1.275 -15.857 0.743 1.00 0.00 C ATOM 99 NE ARG A 6 0.135 -15.619 1.069 1.00 0.00 N ATOM 100 CZ ARG A 6 0.561 -15.091 2.214 1.00 0.00 C ATOM 101 NH1 ARG A 6 -0.308 -14.795 3.169 1.00 0.00 N ATOM 102 NH2 ARG A 6 1.858 -14.874 2.406 1.00 0.00 N ATOM 0 H ARG A 6 -4.047 -12.947 -1.076 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.800 -14.839 -2.953 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.803 -15.086 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.254 -16.451 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.027 -15.331 -1.322 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.585 -14.014 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.900 -15.564 1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.438 -16.922 0.581 1.00 0.00 H new ATOM 0 HE ARG A 6 0.835 -15.875 0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.302 -14.972 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.017 -14.390 4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.529 -15.112 1.675 1.00 0.00 H new ATOM 0 HH22 ARG A 6 2.183 -14.469 3.284 1.00 0.00 H new ATOM 116 N LYS A 7 -4.815 -15.884 -3.835 1.00 0.00 N ATOM 117 CA LYS A 7 -5.982 -16.459 -4.485 1.00 0.00 C ATOM 118 C LYS A 7 -5.834 -17.973 -4.578 1.00 0.00 C ATOM 119 O LYS A 7 -4.936 -18.475 -5.259 1.00 0.00 O ATOM 120 CB LYS A 7 -6.143 -15.857 -5.894 1.00 0.00 C ATOM 121 CG LYS A 7 -7.021 -14.608 -5.951 1.00 0.00 C ATOM 122 CD LYS A 7 -8.507 -14.965 -5.930 1.00 0.00 C ATOM 123 CE LYS A 7 -8.909 -15.775 -7.161 1.00 0.00 C ATOM 124 NZ LYS A 7 -10.354 -16.127 -7.161 1.00 0.00 N ATOM 0 H LYS A 7 -3.940 -16.065 -4.326 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.869 -16.228 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.156 -15.610 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.567 -16.615 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.790 -13.961 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.794 -14.044 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.732 -15.536 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.100 -14.052 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.677 -15.204 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.315 -16.688 -7.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.618 -16.509 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.537 -16.842 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.919 -15.276 -6.963 1.00 0.00 H new ATOM 138 N THR A 8 -6.708 -18.697 -3.891 1.00 0.00 N ATOM 139 CA THR A 8 -6.730 -20.153 -3.973 1.00 0.00 C ATOM 140 C THR A 8 -8.176 -20.643 -4.104 1.00 0.00 C ATOM 141 O THR A 8 -9.072 -19.839 -4.372 1.00 0.00 O ATOM 142 CB THR A 8 -6.019 -20.797 -2.752 1.00 0.00 C ATOM 143 OG1 THR A 8 -5.899 -22.216 -2.935 1.00 0.00 O ATOM 144 CG2 THR A 8 -6.760 -20.509 -1.454 1.00 0.00 C ATOM 0 H THR A 8 -7.412 -18.300 -3.270 1.00 0.00 H new ATOM 0 HA THR A 8 -6.178 -20.462 -4.861 1.00 0.00 H new ATOM 0 HB THR A 8 -5.026 -20.354 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.448 -22.609 -2.159 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.232 -20.976 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.809 -19.432 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.771 -20.913 -1.515 1.00 0.00 H new ATOM 152 N ALA A 9 -8.390 -21.950 -3.932 1.00 0.00 N ATOM 153 CA ALA A 9 -9.699 -22.573 -4.141 1.00 0.00 C ATOM 154 C ALA A 9 -10.830 -21.794 -3.463 1.00 0.00 C ATOM 155 O ALA A 9 -11.613 -21.113 -4.132 1.00 0.00 O ATOM 156 CB ALA A 9 -9.676 -24.015 -3.648 1.00 0.00 C ATOM 0 H ALA A 9 -7.662 -22.605 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.900 -22.559 -5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.654 -24.470 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.921 -24.576 -4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.437 -24.032 -2.585 1.00 0.00 H new ATOM 162 N THR A 10 -10.909 -21.894 -2.141 1.00 0.00 N ATOM 163 CA THR A 10 -11.947 -21.216 -1.372 1.00 0.00 C ATOM 164 C THR A 10 -11.346 -20.112 -0.506 1.00 0.00 C ATOM 165 O THR A 10 -12.003 -19.114 -0.204 1.00 0.00 O ATOM 166 CB THR A 10 -12.715 -22.218 -0.480 1.00 0.00 C ATOM 167 OG1 THR A 10 -11.786 -23.009 0.278 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.601 -23.137 -1.318 1.00 0.00 C ATOM 0 H THR A 10 -10.261 -22.443 -1.575 1.00 0.00 H new ATOM 0 HA THR A 10 -12.645 -20.769 -2.080 1.00 0.00 H new ATOM 0 HB THR A 10 -13.352 -21.648 0.196 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.279 -23.641 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 10 -14.128 -23.830 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 10 -14.325 -22.539 -1.871 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.983 -23.699 -2.019 1.00 0.00 H new ATOM 176 N GLY A 11 -10.089 -20.299 -0.117 1.00 0.00 N ATOM 177 CA GLY A 11 -9.407 -19.321 0.704 1.00 0.00 C ATOM 178 C GLY A 11 -9.055 -18.059 -0.063 1.00 0.00 C ATOM 179 O GLY A 11 -8.644 -18.117 -1.228 1.00 0.00 O ATOM 0 H GLY A 11 -9.529 -21.117 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.039 -19.061 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.496 -19.763 1.108 1.00 0.00 H new ATOM 183 N HIS A 12 -9.241 -16.914 0.578 1.00 0.00 N ATOM 184 CA HIS A 12 -8.862 -15.626 0.008 1.00 0.00 C ATOM 185 C HIS A 12 -8.299 -14.754 1.123 1.00 0.00 C ATOM 186 O HIS A 12 -8.986 -14.506 2.115 1.00 0.00 O ATOM 187 CB HIS A 12 -10.078 -14.932 -0.626 1.00 0.00 C ATOM 188 CG HIS A 12 -10.794 -15.759 -1.650 1.00 0.00 C ATOM 189 ND1 HIS A 12 -11.819 -16.626 -1.336 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.641 -15.838 -2.992 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.264 -17.198 -2.435 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.567 -16.739 -3.452 1.00 0.00 N ATOM 0 H HIS A 12 -9.658 -16.850 1.507 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.115 -15.780 -0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.780 -14.663 0.163 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.750 -14.003 -1.091 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -12.177 -16.798 -0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.924 -15.294 -3.589 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.065 -17.921 -2.492 1.00 0.00 H new ATOM 201 N SER A 13 -7.063 -14.299 0.980 1.00 0.00 N ATOM 202 CA SER A 13 -6.424 -13.502 2.023 1.00 0.00 C ATOM 203 C SER A 13 -5.599 -12.367 1.425 1.00 0.00 C ATOM 204 O SER A 13 -5.222 -12.409 0.251 1.00 0.00 O ATOM 205 CB SER A 13 -5.546 -14.401 2.902 1.00 0.00 C ATOM 206 OG SER A 13 -4.631 -15.151 2.118 1.00 0.00 O ATOM 0 H SER A 13 -6.483 -14.465 0.158 1.00 0.00 H new ATOM 0 HA SER A 13 -7.204 -13.054 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.998 -13.789 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.177 -15.079 3.477 1.00 0.00 H new ATOM 0 HG SER A 13 -4.083 -15.714 2.704 1.00 0.00 H new ATOM 212 N ALA A 14 -5.342 -11.348 2.238 1.00 0.00 N ATOM 213 CA ALA A 14 -4.513 -10.217 1.839 1.00 0.00 C ATOM 214 C ALA A 14 -3.467 -9.940 2.912 1.00 0.00 C ATOM 215 O ALA A 14 -3.771 -9.988 4.106 1.00 0.00 O ATOM 216 CB ALA A 14 -5.374 -8.982 1.597 1.00 0.00 C ATOM 0 H ALA A 14 -5.702 -11.283 3.190 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.004 -10.463 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.738 -8.148 1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.094 -9.190 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.906 -8.724 2.513 1.00 0.00 H new ATOM 222 N TYR A 15 -2.242 -9.662 2.483 1.00 0.00 N ATOM 223 CA TYR A 15 -1.127 -9.436 3.397 1.00 0.00 C ATOM 224 C TYR A 15 -0.548 -8.029 3.227 1.00 0.00 C ATOM 225 O TYR A 15 0.144 -7.741 2.245 1.00 0.00 O ATOM 226 CB TYR A 15 -0.040 -10.501 3.165 1.00 0.00 C ATOM 227 CG TYR A 15 1.237 -10.277 3.960 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.220 -10.232 5.351 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.461 -10.106 3.316 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.380 -10.027 6.074 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.623 -9.900 4.034 1.00 0.00 C ATOM 232 CZ TYR A 15 3.579 -9.862 5.411 1.00 0.00 C ATOM 233 OH TYR A 15 4.736 -9.650 6.127 1.00 0.00 O ATOM 0 H TYR A 15 -1.993 -9.587 1.497 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.496 -9.519 4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.446 -11.479 3.421 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.207 -10.526 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.284 -10.359 5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.502 -10.135 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.348 -9.996 7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.563 -9.769 3.518 1.00 0.00 H new ATOM 0 HH TYR A 15 4.510 -9.376 7.040 1.00 0.00 H new ATOM 243 N VAL A 16 -0.862 -7.154 4.179 1.00 0.00 N ATOM 244 CA VAL A 16 -0.297 -5.808 4.225 1.00 0.00 C ATOM 245 C VAL A 16 1.109 -5.863 4.824 1.00 0.00 C ATOM 246 O VAL A 16 1.278 -5.894 6.048 1.00 0.00 O ATOM 247 CB VAL A 16 -1.189 -4.846 5.056 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.605 -3.433 5.080 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.622 -4.837 4.519 1.00 0.00 C ATOM 0 H VAL A 16 -1.513 -7.357 4.938 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.249 -5.423 3.206 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.212 -5.212 6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.251 -2.782 5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.389 -3.458 5.526 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.536 -3.050 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.230 -4.157 5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.619 -4.506 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.039 -5.842 4.578 1.00 0.00 H new ATOM 259 N ALA A 17 2.107 -5.886 3.946 1.00 0.00 N ATOM 260 CA ALA A 17 3.498 -6.107 4.334 1.00 0.00 C ATOM 261 C ALA A 17 3.996 -5.087 5.362 1.00 0.00 C ATOM 262 O ALA A 17 4.692 -5.449 6.312 1.00 0.00 O ATOM 263 CB ALA A 17 4.391 -6.088 3.097 1.00 0.00 C ATOM 0 H ALA A 17 1.975 -5.752 2.944 1.00 0.00 H new ATOM 0 HA ALA A 17 3.547 -7.086 4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.427 -6.253 3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.080 -6.876 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.305 -5.121 2.601 1.00 0.00 H new ATOM 269 N LYS A 18 3.619 -3.822 5.189 1.00 0.00 N ATOM 270 CA LYS A 18 4.178 -2.737 6.002 1.00 0.00 C ATOM 271 C LYS A 18 3.710 -2.810 7.461 1.00 0.00 C ATOM 272 O LYS A 18 4.246 -2.110 8.321 1.00 0.00 O ATOM 273 CB LYS A 18 3.838 -1.364 5.381 1.00 0.00 C ATOM 274 CG LYS A 18 2.356 -0.960 5.441 1.00 0.00 C ATOM 275 CD LYS A 18 2.002 -0.212 6.731 1.00 0.00 C ATOM 276 CE LYS A 18 2.767 1.105 6.856 1.00 0.00 C ATOM 277 NZ LYS A 18 2.521 1.769 8.163 1.00 0.00 N ATOM 0 H LYS A 18 2.932 -3.521 4.497 1.00 0.00 H new ATOM 0 HA LYS A 18 5.261 -2.858 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.426 -0.599 5.889 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.154 -1.368 4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.120 -0.330 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.736 -1.853 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.931 -0.013 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.226 -0.844 7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.834 0.917 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.472 1.774 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.058 2.658 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.506 1.972 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.827 1.142 8.934 1.00 0.00 H new ATOM 291 N LYS A 19 2.711 -3.647 7.733 1.00 0.00 N ATOM 292 CA LYS A 19 2.158 -3.771 9.085 1.00 0.00 C ATOM 293 C LYS A 19 1.986 -5.245 9.476 1.00 0.00 C ATOM 294 O LYS A 19 1.542 -5.556 10.582 1.00 0.00 O ATOM 295 CB LYS A 19 0.815 -3.013 9.165 1.00 0.00 C ATOM 296 CG LYS A 19 0.128 -3.077 10.532 1.00 0.00 C ATOM 297 CD LYS A 19 -1.115 -2.187 10.602 1.00 0.00 C ATOM 298 CE LYS A 19 -0.756 -0.703 10.643 1.00 0.00 C ATOM 299 NZ LYS A 19 -1.961 0.162 10.759 1.00 0.00 N ATOM 0 H LYS A 19 2.267 -4.249 7.039 1.00 0.00 H new ATOM 0 HA LYS A 19 2.855 -3.327 9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.987 -1.968 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.138 -3.419 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.154 -4.108 10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.834 -2.773 11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.750 -2.382 9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.695 -2.444 11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.092 -0.514 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.206 -0.439 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.875 0.966 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.809 -0.390 10.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.042 0.515 11.734 1.00 0.00 H new ATOM 313 N ASP A 20 2.361 -6.146 8.565 1.00 0.00 N ATOM 314 CA ASP A 20 2.203 -7.591 8.776 1.00 0.00 C ATOM 315 C ASP A 20 0.733 -7.949 9.002 1.00 0.00 C ATOM 316 O ASP A 20 0.417 -8.984 9.589 1.00 0.00 O ATOM 317 CB ASP A 20 3.050 -8.085 9.966 1.00 0.00 C ATOM 318 CG ASP A 20 4.548 -7.996 9.719 1.00 0.00 C ATOM 319 OD1 ASP A 20 5.090 -8.849 8.983 1.00 0.00 O ATOM 320 OD2 ASP A 20 5.199 -7.082 10.278 1.00 0.00 O ATOM 0 H ASP A 20 2.779 -5.900 7.668 1.00 0.00 H new ATOM 0 HA ASP A 20 2.557 -8.090 7.874 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.799 -7.498 10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.786 -9.120 10.186 1.00 0.00 H new ATOM 325 N LEU A 21 -0.164 -7.101 8.504 1.00 0.00 N ATOM 326 CA LEU A 21 -1.597 -7.311 8.679 1.00 0.00 C ATOM 327 C LEU A 21 -2.118 -8.278 7.626 1.00 0.00 C ATOM 328 O LEU A 21 -2.208 -7.933 6.448 1.00 0.00 O ATOM 329 CB LEU A 21 -2.360 -5.980 8.576 1.00 0.00 C ATOM 330 CG LEU A 21 -3.896 -6.102 8.658 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.340 -6.492 10.067 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.573 -4.808 8.209 1.00 0.00 C ATOM 0 H LEU A 21 0.077 -6.262 7.976 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.759 -7.733 9.671 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.020 -5.320 9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.098 -5.500 7.633 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.206 -6.895 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.427 -6.571 10.097 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.899 -7.452 10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.012 -5.731 10.775 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.655 -4.921 8.277 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.253 -3.988 8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.295 -4.591 7.178 1.00 0.00 H new ATOM 344 N GLU A 22 -2.450 -9.486 8.052 1.00 0.00 N ATOM 345 CA GLU A 22 -2.977 -10.500 7.151 1.00 0.00 C ATOM 346 C GLU A 22 -4.349 -10.951 7.639 1.00 0.00 C ATOM 347 O GLU A 22 -4.508 -11.323 8.804 1.00 0.00 O ATOM 348 CB GLU A 22 -2.007 -11.685 7.067 1.00 0.00 C ATOM 349 CG GLU A 22 -2.337 -12.678 5.961 1.00 0.00 C ATOM 350 CD GLU A 22 -1.274 -13.750 5.809 1.00 0.00 C ATOM 351 OE1 GLU A 22 -0.110 -13.403 5.514 1.00 0.00 O ATOM 352 OE2 GLU A 22 -1.587 -14.946 5.985 1.00 0.00 O ATOM 0 H GLU A 22 -2.363 -9.790 9.022 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.084 -10.080 6.151 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.998 -11.305 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.006 -12.209 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.296 -13.149 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.447 -12.143 5.018 1.00 0.00 H new ATOM 359 N GLU A 23 -5.340 -10.897 6.756 1.00 0.00 N ATOM 360 CA GLU A 23 -6.715 -11.214 7.126 1.00 0.00 C ATOM 361 C GLU A 23 -7.455 -11.845 5.949 1.00 0.00 C ATOM 362 O GLU A 23 -7.017 -11.740 4.798 1.00 0.00 O ATOM 363 CB GLU A 23 -7.438 -9.939 7.592 1.00 0.00 C ATOM 364 CG GLU A 23 -8.797 -10.188 8.234 1.00 0.00 C ATOM 365 CD GLU A 23 -8.734 -11.152 9.407 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.297 -10.739 10.500 1.00 0.00 O ATOM 367 OE2 GLU A 23 -9.132 -12.324 9.238 1.00 0.00 O ATOM 0 H GLU A 23 -5.217 -10.636 5.778 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.701 -11.933 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.802 -9.415 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.569 -9.277 6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.211 -9.239 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.480 -10.584 7.483 1.00 0.00 H new ATOM 374 N LEU A 24 -8.575 -12.498 6.246 1.00 0.00 N ATOM 375 CA LEU A 24 -9.394 -13.141 5.228 1.00 0.00 C ATOM 376 C LEU A 24 -10.242 -12.107 4.489 1.00 0.00 C ATOM 377 O LEU A 24 -10.771 -11.172 5.098 1.00 0.00 O ATOM 378 CB LEU A 24 -10.306 -14.199 5.865 1.00 0.00 C ATOM 379 CG LEU A 24 -9.582 -15.341 6.597 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.592 -16.309 7.213 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.630 -16.075 5.651 1.00 0.00 C ATOM 0 H LEU A 24 -8.937 -12.595 7.195 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.729 -13.627 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.972 -13.702 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.933 -14.630 5.085 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.988 -14.909 7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.061 -17.110 7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.220 -15.775 7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.216 -16.733 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.129 -16.879 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.196 -16.494 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.886 -15.376 5.269 1.00 0.00 H new ATOM 393 N ILE A 25 -10.352 -12.279 3.180 1.00 0.00 N ATOM 394 CA ILE A 25 -11.192 -11.431 2.346 1.00 0.00 C ATOM 395 C ILE A 25 -12.641 -11.908 2.415 1.00 0.00 C ATOM 396 O ILE A 25 -12.992 -12.935 1.830 1.00 0.00 O ATOM 397 CB ILE A 25 -10.707 -11.455 0.873 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.274 -10.900 0.769 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.666 -10.676 -0.026 1.00 0.00 C ATOM 400 CD1 ILE A 25 -8.687 -10.958 -0.629 1.00 0.00 C ATOM 0 H ILE A 25 -9.861 -13.011 2.666 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.125 -10.409 2.719 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.695 -12.489 0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.271 -9.865 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.629 -11.460 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.306 -10.706 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.658 -11.125 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.719 -9.640 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.677 -10.549 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.655 -11.994 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.307 -10.373 -1.309 1.00 0.00 H new ATOM 412 N VAL A 26 -13.475 -11.178 3.145 1.00 0.00 N ATOM 413 CA VAL A 26 -14.872 -11.568 3.334 1.00 0.00 C ATOM 414 C VAL A 26 -15.791 -10.883 2.323 1.00 0.00 C ATOM 415 O VAL A 26 -16.737 -11.494 1.824 1.00 0.00 O ATOM 416 CB VAL A 26 -15.360 -11.263 4.774 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.628 -12.144 5.786 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.182 -9.781 5.116 1.00 0.00 C ATOM 0 H VAL A 26 -13.211 -10.313 3.617 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.918 -12.645 3.171 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.425 -11.491 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.983 -11.916 6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.821 -13.193 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.557 -11.952 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.533 -9.597 6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.128 -9.515 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.759 -9.175 4.418 1.00 0.00 H new ATOM 428 N GLU A 27 -15.501 -9.625 2.008 1.00 0.00 N ATOM 429 CA GLU A 27 -16.348 -8.840 1.112 1.00 0.00 C ATOM 430 C GLU A 27 -15.509 -8.230 -0.006 1.00 0.00 C ATOM 431 O GLU A 27 -14.429 -7.692 0.243 1.00 0.00 O ATOM 432 CB GLU A 27 -17.065 -7.736 1.902 1.00 0.00 C ATOM 433 CG GLU A 27 -18.106 -6.960 1.099 1.00 0.00 C ATOM 434 CD GLU A 27 -18.738 -5.836 1.907 1.00 0.00 C ATOM 435 OE1 GLU A 27 -19.513 -6.134 2.843 1.00 0.00 O ATOM 436 OE2 GLU A 27 -18.449 -4.652 1.623 1.00 0.00 O ATOM 0 H GLU A 27 -14.685 -9.125 2.360 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.096 -9.497 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.552 -8.184 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.321 -7.036 2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.638 -6.544 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.885 -7.644 0.761 1.00 0.00 H new ATOM 443 N MET A 28 -16.002 -8.331 -1.234 1.00 0.00 N ATOM 444 CA MET A 28 -15.310 -7.783 -2.397 1.00 0.00 C ATOM 445 C MET A 28 -16.221 -6.798 -3.121 1.00 0.00 C ATOM 446 O MET A 28 -17.440 -6.815 -2.926 1.00 0.00 O ATOM 447 CB MET A 28 -14.904 -8.908 -3.365 1.00 0.00 C ATOM 448 CG MET A 28 -14.308 -10.143 -2.698 1.00 0.00 C ATOM 449 SD MET A 28 -15.528 -11.072 -1.741 1.00 0.00 S ATOM 450 CE MET A 28 -14.575 -12.509 -1.254 1.00 0.00 C ATOM 0 H MET A 28 -16.886 -8.791 -1.453 1.00 0.00 H new ATOM 0 HA MET A 28 -14.411 -7.270 -2.055 1.00 0.00 H new ATOM 0 HB2 MET A 28 -15.781 -9.209 -3.937 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.180 -8.512 -4.077 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.879 -10.792 -3.461 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.492 -9.839 -2.042 1.00 0.00 H new ATOM 0 HE1 MET A 28 -15.049 -13.409 -1.645 1.00 0.00 H new ATOM 0 HE2 MET A 28 -13.564 -12.428 -1.654 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.532 -12.565 -0.166 1.00 0.00 H new ATOM 460 N GLU A 29 -15.632 -5.936 -3.943 1.00 0.00 N ATOM 461 CA GLU A 29 -16.408 -5.031 -4.787 1.00 0.00 C ATOM 462 C GLU A 29 -17.174 -5.843 -5.833 1.00 0.00 C ATOM 463 O GLU A 29 -18.378 -5.665 -6.024 1.00 0.00 O ATOM 464 CB GLU A 29 -15.480 -4.016 -5.463 1.00 0.00 C ATOM 465 CG GLU A 29 -16.196 -2.999 -6.349 1.00 0.00 C ATOM 466 CD GLU A 29 -17.143 -2.100 -5.568 1.00 0.00 C ATOM 467 OE1 GLU A 29 -16.664 -1.152 -4.913 1.00 0.00 O ATOM 468 OE2 GLU A 29 -18.372 -2.325 -5.616 1.00 0.00 O ATOM 0 H GLU A 29 -14.621 -5.844 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.122 -4.483 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.924 -3.481 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.750 -4.555 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.455 -2.383 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.757 -3.527 -7.120 1.00 0.00 H new ATOM 475 N ASN A 30 -16.458 -6.740 -6.503 1.00 0.00 N ATOM 476 CA ASN A 30 -17.063 -7.688 -7.439 1.00 0.00 C ATOM 477 C ASN A 30 -17.061 -9.077 -6.805 1.00 0.00 C ATOM 478 O ASN A 30 -16.106 -9.432 -6.112 1.00 0.00 O ATOM 479 CB ASN A 30 -16.300 -7.707 -8.775 1.00 0.00 C ATOM 480 CG ASN A 30 -16.461 -6.413 -9.558 1.00 0.00 C ATOM 481 OD1 ASN A 30 -15.717 -5.453 -9.356 1.00 0.00 O ATOM 482 ND2 ASN A 30 -17.430 -6.375 -10.463 1.00 0.00 N ATOM 0 H ASN A 30 -15.446 -6.832 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.087 -7.380 -7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -15.241 -7.882 -8.582 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -16.656 -8.541 -9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.577 -5.532 -11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.028 -7.189 -10.604 1.00 0.00 H new ATOM 489 N PRO A 31 -18.121 -9.878 -7.033 1.00 0.00 N ATOM 490 CA PRO A 31 -18.294 -11.188 -6.378 1.00 0.00 C ATOM 491 C PRO A 31 -17.097 -12.124 -6.578 1.00 0.00 C ATOM 492 O PRO A 31 -16.901 -13.065 -5.804 1.00 0.00 O ATOM 493 CB PRO A 31 -19.560 -11.768 -7.040 1.00 0.00 C ATOM 494 CG PRO A 31 -19.772 -10.944 -8.267 1.00 0.00 C ATOM 495 CD PRO A 31 -19.238 -9.579 -7.945 1.00 0.00 C ATOM 0 HA PRO A 31 -18.377 -11.082 -5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.427 -12.820 -7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.418 -11.706 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -19.251 -11.375 -9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.829 -10.898 -8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.902 -9.054 -8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.992 -8.950 -7.471 1.00 0.00 H new ATOM 503 N ALA A 32 -16.309 -11.871 -7.620 1.00 0.00 N ATOM 504 CA ALA A 32 -15.106 -12.653 -7.875 1.00 0.00 C ATOM 505 C ALA A 32 -14.055 -12.392 -6.798 1.00 0.00 C ATOM 506 O ALA A 32 -13.800 -13.249 -5.948 1.00 0.00 O ATOM 507 CB ALA A 32 -14.540 -12.337 -9.253 1.00 0.00 C ATOM 0 H ALA A 32 -16.483 -11.131 -8.300 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.376 -13.709 -7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.642 -12.932 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.282 -12.575 -10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.289 -11.278 -9.309 1.00 0.00 H new ATOM 513 N LEU A 33 -13.459 -11.200 -6.834 1.00 0.00 N ATOM 514 CA LEU A 33 -12.404 -10.825 -5.892 1.00 0.00 C ATOM 515 C LEU A 33 -11.939 -9.398 -6.186 1.00 0.00 C ATOM 516 O LEU A 33 -12.091 -8.495 -5.361 1.00 0.00 O ATOM 517 CB LEU A 33 -11.220 -11.818 -5.991 1.00 0.00 C ATOM 518 CG LEU A 33 -10.307 -11.929 -4.750 1.00 0.00 C ATOM 519 CD1 LEU A 33 -9.498 -10.655 -4.525 1.00 0.00 C ATOM 520 CD2 LEU A 33 -11.125 -12.276 -3.507 1.00 0.00 C ATOM 0 H LEU A 33 -13.691 -10.473 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.797 -10.865 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.622 -12.808 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.604 -11.530 -6.843 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.599 -12.736 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.869 -10.774 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.870 -10.464 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.176 -9.815 -4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.463 -12.349 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.866 -11.497 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.630 -13.230 -3.659 1.00 0.00 H new ATOM 532 N TRP A 34 -11.381 -9.212 -7.379 1.00 0.00 N ATOM 533 CA TRP A 34 -10.839 -7.921 -7.802 1.00 0.00 C ATOM 534 C TRP A 34 -11.949 -7.031 -8.352 1.00 0.00 C ATOM 535 O TRP A 34 -13.047 -7.510 -8.642 1.00 0.00 O ATOM 536 CB TRP A 34 -9.759 -8.138 -8.870 1.00 0.00 C ATOM 537 CG TRP A 34 -8.637 -9.026 -8.412 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.656 -10.390 -8.317 1.00 0.00 C ATOM 539 CD2 TRP A 34 -7.333 -8.615 -7.987 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.448 -10.846 -7.852 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.621 -9.777 -7.646 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.700 -7.376 -7.862 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.310 -9.738 -7.188 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.397 -7.337 -7.408 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.714 -8.512 -7.076 1.00 0.00 C ATOM 0 H TRP A 34 -11.291 -9.948 -8.079 1.00 0.00 H new ATOM 0 HA TRP A 34 -10.395 -7.425 -6.939 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -10.218 -8.574 -9.757 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -9.350 -7.171 -9.165 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.498 -11.017 -8.571 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.207 -11.823 -7.687 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.221 -6.465 -8.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.780 -10.643 -6.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.897 -6.385 -7.308 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.695 -8.450 -6.724 1.00 0.00 H new ATOM 556 N GLY A 35 -11.662 -5.737 -8.490 1.00 0.00 N ATOM 557 CA GLY A 35 -12.635 -4.817 -9.052 1.00 0.00 C ATOM 558 C GLY A 35 -12.358 -3.373 -8.681 1.00 0.00 C ATOM 559 O GLY A 35 -11.939 -2.575 -9.523 1.00 0.00 O ATOM 0 H GLY A 35 -10.774 -5.312 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.637 -4.915 -10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.631 -5.092 -8.706 1.00 0.00 H new ATOM 563 N GLY A 36 -12.566 -3.039 -7.411 1.00 0.00 N ATOM 564 CA GLY A 36 -12.425 -1.663 -6.965 1.00 0.00 C ATOM 565 C GLY A 36 -11.929 -1.574 -5.538 1.00 0.00 C ATOM 566 O GLY A 36 -10.999 -0.822 -5.240 1.00 0.00 O ATOM 0 H GLY A 36 -12.831 -3.699 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.732 -1.139 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.386 -1.156 -7.046 1.00 0.00 H new ATOM 570 N LYS A 37 -12.553 -2.337 -4.650 1.00 0.00 N ATOM 571 CA LYS A 37 -12.154 -2.367 -3.251 1.00 0.00 C ATOM 572 C LYS A 37 -12.336 -3.770 -2.678 1.00 0.00 C ATOM 573 O LYS A 37 -13.022 -4.612 -3.269 1.00 0.00 O ATOM 574 CB LYS A 37 -12.956 -1.326 -2.446 1.00 0.00 C ATOM 575 CG LYS A 37 -14.443 -1.649 -2.258 1.00 0.00 C ATOM 576 CD LYS A 37 -14.701 -2.406 -0.954 1.00 0.00 C ATOM 577 CE LYS A 37 -16.186 -2.661 -0.717 1.00 0.00 C ATOM 578 NZ LYS A 37 -16.451 -3.151 0.665 1.00 0.00 N ATOM 0 H LYS A 37 -13.340 -2.945 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.098 -2.109 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.497 -1.219 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.871 -0.361 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.019 -0.724 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.794 -2.246 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.170 -3.358 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.295 -1.836 -0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.745 -1.741 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.548 -3.394 -1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.410 -3.550 0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.757 -3.885 0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.371 -2.360 1.335 1.00 0.00 H new ATOM 592 N VAL A 38 -11.720 -4.006 -1.530 1.00 0.00 N ATOM 593 CA VAL A 38 -11.792 -5.288 -0.845 1.00 0.00 C ATOM 594 C VAL A 38 -11.835 -5.064 0.664 1.00 0.00 C ATOM 595 O VAL A 38 -11.113 -4.219 1.191 1.00 0.00 O ATOM 596 CB VAL A 38 -10.585 -6.190 -1.218 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.259 -5.488 -0.929 1.00 0.00 C ATOM 598 CG2 VAL A 38 -10.659 -7.526 -0.488 1.00 0.00 C ATOM 0 H VAL A 38 -11.153 -3.311 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.702 -5.797 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.634 -6.383 -2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.433 -6.145 -1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.199 -4.569 -1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.198 -5.248 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.803 -8.140 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.648 -7.354 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.579 -8.041 -0.764 1.00 0.00 H new ATOM 608 N THR A 39 -12.691 -5.805 1.351 1.00 0.00 N ATOM 609 CA THR A 39 -12.847 -5.668 2.792 1.00 0.00 C ATOM 610 C THR A 39 -12.343 -6.917 3.512 1.00 0.00 C ATOM 611 O THR A 39 -12.879 -8.017 3.324 1.00 0.00 O ATOM 612 CB THR A 39 -14.326 -5.425 3.169 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.853 -4.317 2.416 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.477 -5.147 4.663 1.00 0.00 C ATOM 0 H THR A 39 -13.293 -6.513 0.930 1.00 0.00 H new ATOM 0 HA THR A 39 -12.255 -4.808 3.105 1.00 0.00 H new ATOM 0 HB THR A 39 -14.886 -6.329 2.929 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.549 -3.867 2.939 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.528 -4.980 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 39 -14.110 -6.002 5.231 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.901 -4.261 4.928 1.00 0.00 H new ATOM 622 N LEU A 40 -11.296 -6.747 4.316 1.00 0.00 N ATOM 623 CA LEU A 40 -10.796 -7.819 5.165 1.00 0.00 C ATOM 624 C LEU A 40 -11.724 -8.014 6.359 1.00 0.00 C ATOM 625 O LEU A 40 -12.409 -7.076 6.780 1.00 0.00 O ATOM 626 CB LEU A 40 -9.367 -7.525 5.660 1.00 0.00 C ATOM 627 CG LEU A 40 -8.258 -7.563 4.589 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.404 -8.792 3.697 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.235 -6.279 3.764 1.00 0.00 C ATOM 0 H LEU A 40 -10.777 -5.872 4.395 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.768 -8.732 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.361 -6.539 6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.118 -8.247 6.438 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.300 -7.635 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.610 -8.796 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.334 -9.694 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.372 -8.766 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.442 -6.339 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.195 -6.151 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.052 -5.428 4.420 1.00 0.00 H new ATOM 641 N ALA A 41 -11.718 -9.219 6.918 1.00 0.00 N ATOM 642 CA ALA A 41 -12.603 -9.566 8.032 1.00 0.00 C ATOM 643 C ALA A 41 -12.320 -8.701 9.261 1.00 0.00 C ATOM 644 O ALA A 41 -13.139 -8.606 10.172 1.00 0.00 O ATOM 645 CB ALA A 41 -12.455 -11.045 8.375 1.00 0.00 C ATOM 0 H ALA A 41 -11.107 -9.979 6.618 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.630 -9.373 7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.117 -11.294 9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.719 -11.648 7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.423 -11.251 8.660 1.00 0.00 H new ATOM 651 N ASN A 42 -11.158 -8.055 9.260 1.00 0.00 N ATOM 652 CA ASN A 42 -10.720 -7.220 10.378 1.00 0.00 C ATOM 653 C ASN A 42 -11.342 -5.822 10.290 1.00 0.00 C ATOM 654 O ASN A 42 -11.055 -4.948 11.109 1.00 0.00 O ATOM 655 CB ASN A 42 -9.183 -7.128 10.369 1.00 0.00 C ATOM 656 CG ASN A 42 -8.606 -6.479 11.618 1.00 0.00 C ATOM 657 OD1 ASN A 42 -8.327 -7.155 12.610 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.412 -5.170 11.575 1.00 0.00 N ATOM 0 H ASN A 42 -10.494 -8.094 8.487 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.051 -7.673 11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.768 -8.130 10.265 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.866 -6.560 9.495 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.018 -4.686 12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.656 -4.646 10.735 1.00 0.00 H new ATOM 665 N GLY A 43 -12.202 -5.617 9.292 1.00 0.00 N ATOM 666 CA GLY A 43 -12.816 -4.314 9.084 1.00 0.00 C ATOM 667 C GLY A 43 -11.867 -3.349 8.405 1.00 0.00 C ATOM 668 O GLY A 43 -11.909 -2.138 8.636 1.00 0.00 O ATOM 0 H GLY A 43 -12.485 -6.333 8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.715 -4.428 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.129 -3.902 10.043 1.00 0.00 H new ATOM 672 N TRP A 44 -11.004 -3.898 7.561 1.00 0.00 N ATOM 673 CA TRP A 44 -9.994 -3.119 6.859 1.00 0.00 C ATOM 674 C TRP A 44 -10.299 -3.132 5.366 1.00 0.00 C ATOM 675 O TRP A 44 -10.249 -4.186 4.735 1.00 0.00 O ATOM 676 CB TRP A 44 -8.607 -3.719 7.128 1.00 0.00 C ATOM 677 CG TRP A 44 -7.463 -2.821 6.748 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.951 -2.611 5.499 1.00 0.00 C ATOM 679 CD2 TRP A 44 -6.677 -2.027 7.641 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.899 -1.730 5.566 1.00 0.00 N ATOM 681 CE2 TRP A 44 -5.713 -1.358 6.870 1.00 0.00 C ATOM 682 CE3 TRP A 44 -6.702 -1.816 9.024 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.779 -0.494 7.435 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -5.774 -0.959 9.584 1.00 0.00 C ATOM 685 CH2 TRP A 44 -4.825 -0.307 8.790 1.00 0.00 C ATOM 0 H TRP A 44 -10.985 -4.894 7.344 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.005 -2.089 7.214 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.528 -3.961 8.188 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.516 -4.656 6.579 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.319 -3.070 4.593 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.346 -1.406 4.773 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.434 -2.314 9.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.044 0.011 6.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.782 -0.790 10.651 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.113 0.358 9.256 1.00 0.00 H new ATOM 696 N GLN A 45 -10.639 -1.978 4.808 1.00 0.00 N ATOM 697 CA GLN A 45 -10.946 -1.884 3.387 1.00 0.00 C ATOM 698 C GLN A 45 -9.743 -1.366 2.606 1.00 0.00 C ATOM 699 O GLN A 45 -9.228 -0.276 2.871 1.00 0.00 O ATOM 700 CB GLN A 45 -12.175 -0.997 3.143 1.00 0.00 C ATOM 701 CG GLN A 45 -13.462 -1.580 3.717 1.00 0.00 C ATOM 702 CD GLN A 45 -14.706 -0.854 3.241 1.00 0.00 C ATOM 703 OE1 GLN A 45 -15.287 -1.202 2.210 1.00 0.00 O ATOM 704 NE2 GLN A 45 -15.127 0.153 3.987 1.00 0.00 N ATOM 0 H GLN A 45 -10.709 -1.096 5.316 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.180 -2.887 3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.000 -0.016 3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.299 -0.846 2.071 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.533 -2.632 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.419 -1.540 4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.618 0.409 4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.961 0.674 3.717 1.00 0.00 H new ATOM 713 N LEU A 46 -9.295 -2.175 1.657 1.00 0.00 N ATOM 714 CA LEU A 46 -8.180 -1.836 0.784 1.00 0.00 C ATOM 715 C LEU A 46 -8.707 -1.610 -0.632 1.00 0.00 C ATOM 716 O LEU A 46 -9.690 -2.232 -1.035 1.00 0.00 O ATOM 717 CB LEU A 46 -7.154 -2.980 0.792 1.00 0.00 C ATOM 718 CG LEU A 46 -5.820 -2.687 0.085 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.001 -1.674 0.879 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.029 -3.977 -0.133 1.00 0.00 C ATOM 0 H LEU A 46 -9.698 -3.093 1.469 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.694 -0.926 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.944 -3.247 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.608 -3.853 0.323 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.038 -2.255 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.061 -1.481 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.563 -0.744 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.793 -2.072 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.089 -3.747 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.822 -4.444 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.611 -4.661 -0.750 1.00 0.00 H new ATOM 732 N GLU A 47 -8.074 -0.718 -1.379 1.00 0.00 N ATOM 733 CA GLU A 47 -8.491 -0.438 -2.748 1.00 0.00 C ATOM 734 C GLU A 47 -7.852 -1.448 -3.699 1.00 0.00 C ATOM 735 O GLU A 47 -6.629 -1.477 -3.855 1.00 0.00 O ATOM 736 CB GLU A 47 -8.106 0.990 -3.136 1.00 0.00 C ATOM 737 CG GLU A 47 -8.714 1.453 -4.451 1.00 0.00 C ATOM 738 CD GLU A 47 -8.339 2.884 -4.780 1.00 0.00 C ATOM 739 OE1 GLU A 47 -9.047 3.807 -4.330 1.00 0.00 O ATOM 740 OE2 GLU A 47 -7.324 3.087 -5.476 1.00 0.00 O ATOM 0 H GLU A 47 -7.270 -0.175 -1.062 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.575 -0.529 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.419 1.669 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.020 1.058 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.380 0.797 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.799 1.366 -4.399 1.00 0.00 H new ATOM 747 N LEU A 48 -8.685 -2.260 -4.340 1.00 0.00 N ATOM 748 CA LEU A 48 -8.213 -3.391 -5.134 1.00 0.00 C ATOM 749 C LEU A 48 -8.493 -3.160 -6.622 1.00 0.00 C ATOM 750 O LEU A 48 -9.653 -3.071 -7.025 1.00 0.00 O ATOM 751 CB LEU A 48 -8.917 -4.674 -4.661 1.00 0.00 C ATOM 752 CG LEU A 48 -8.221 -5.990 -5.041 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.823 -6.057 -4.428 1.00 0.00 C ATOM 754 CD2 LEU A 48 -9.058 -7.185 -4.599 1.00 0.00 C ATOM 0 H LEU A 48 -9.700 -2.155 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.136 -3.493 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.014 -4.635 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.927 -4.686 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.120 -6.023 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.347 -6.997 -4.709 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.225 -5.223 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.899 -5.999 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.549 -8.108 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.192 -7.155 -3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.032 -7.147 -5.086 1.00 0.00 H new ATOM 766 N PRO A 49 -7.440 -3.067 -7.460 1.00 0.00 N ATOM 767 CA PRO A 49 -7.597 -2.826 -8.904 1.00 0.00 C ATOM 768 C PRO A 49 -8.346 -3.965 -9.605 1.00 0.00 C ATOM 769 O PRO A 49 -8.362 -5.101 -9.126 1.00 0.00 O ATOM 770 CB PRO A 49 -6.150 -2.727 -9.417 1.00 0.00 C ATOM 771 CG PRO A 49 -5.331 -3.441 -8.391 1.00 0.00 C ATOM 772 CD PRO A 49 -6.020 -3.197 -7.075 1.00 0.00 C ATOM 0 HA PRO A 49 -8.189 -1.933 -9.105 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.046 -3.190 -10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.837 -1.688 -9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.272 -4.507 -8.610 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.309 -3.062 -8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.865 -4.022 -6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.650 -2.295 -6.587 1.00 0.00 H new ATOM 780 N ALA A 50 -8.966 -3.656 -10.739 1.00 0.00 N ATOM 781 CA ALA A 50 -9.717 -4.648 -11.501 1.00 0.00 C ATOM 782 C ALA A 50 -8.780 -5.531 -12.324 1.00 0.00 C ATOM 783 O ALA A 50 -8.586 -5.307 -13.523 1.00 0.00 O ATOM 784 CB ALA A 50 -10.748 -3.966 -12.397 1.00 0.00 C ATOM 0 H ALA A 50 -8.963 -2.723 -11.152 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.246 -5.289 -10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.299 -4.721 -12.958 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.442 -3.393 -11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.240 -3.297 -13.092 1.00 0.00 H new ATOM 790 N MET A 51 -8.170 -6.512 -11.665 1.00 0.00 N ATOM 791 CA MET A 51 -7.275 -7.462 -12.330 1.00 0.00 C ATOM 792 C MET A 51 -8.023 -8.759 -12.643 1.00 0.00 C ATOM 793 O MET A 51 -9.251 -8.812 -12.532 1.00 0.00 O ATOM 794 CB MET A 51 -6.052 -7.754 -11.447 1.00 0.00 C ATOM 795 CG MET A 51 -5.194 -6.529 -11.151 1.00 0.00 C ATOM 796 SD MET A 51 -4.548 -5.756 -12.649 1.00 0.00 S ATOM 797 CE MET A 51 -3.554 -4.438 -11.953 1.00 0.00 C ATOM 0 H MET A 51 -8.279 -6.673 -10.664 1.00 0.00 H new ATOM 0 HA MET A 51 -6.930 -7.020 -13.265 1.00 0.00 H new ATOM 0 HB2 MET A 51 -6.392 -8.183 -10.504 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.435 -8.507 -11.937 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.786 -5.801 -10.597 1.00 0.00 H new ATOM 0 HG3 MET A 51 -4.363 -6.819 -10.509 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.770 -4.163 -12.658 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.185 -3.571 -11.756 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.102 -4.777 -11.021 1.00 0.00 H new ATOM 807 N ALA A 52 -7.280 -9.792 -13.044 1.00 0.00 N ATOM 808 CA ALA A 52 -7.862 -11.100 -13.350 1.00 0.00 C ATOM 809 C ALA A 52 -8.710 -11.609 -12.182 1.00 0.00 C ATOM 810 O ALA A 52 -8.189 -11.848 -11.088 1.00 0.00 O ATOM 811 CB ALA A 52 -6.762 -12.101 -13.686 1.00 0.00 C ATOM 0 H ALA A 52 -6.268 -9.747 -13.165 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.513 -10.990 -14.217 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.208 -13.070 -13.912 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.202 -11.749 -14.552 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.089 -12.201 -12.835 1.00 0.00 H new ATOM 817 N ALA A 53 -10.011 -11.770 -12.435 1.00 0.00 N ATOM 818 CA ALA A 53 -10.977 -12.195 -11.417 1.00 0.00 C ATOM 819 C ALA A 53 -10.474 -13.404 -10.630 1.00 0.00 C ATOM 820 O ALA A 53 -10.538 -13.430 -9.396 1.00 0.00 O ATOM 821 CB ALA A 53 -12.316 -12.510 -12.076 1.00 0.00 C ATOM 0 H ALA A 53 -10.426 -11.609 -13.353 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.104 -11.376 -10.710 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.030 -12.825 -11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.692 -11.620 -12.580 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.184 -13.310 -12.804 1.00 0.00 H new ATOM 827 N ASP A 54 -9.968 -14.400 -11.346 1.00 0.00 N ATOM 828 CA ASP A 54 -9.415 -15.593 -10.720 1.00 0.00 C ATOM 829 C ASP A 54 -7.930 -15.707 -11.024 1.00 0.00 C ATOM 830 O ASP A 54 -7.520 -16.435 -11.930 1.00 0.00 O ATOM 831 CB ASP A 54 -10.157 -16.863 -11.170 1.00 0.00 C ATOM 832 CG ASP A 54 -11.545 -16.986 -10.556 1.00 0.00 C ATOM 833 OD1 ASP A 54 -11.641 -17.134 -9.320 1.00 0.00 O ATOM 834 OD2 ASP A 54 -12.545 -16.941 -11.304 1.00 0.00 O ATOM 0 H ASP A 54 -9.929 -14.404 -12.365 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.549 -15.498 -9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.244 -16.861 -12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.566 -17.738 -10.899 1.00 0.00 H new ATOM 839 N THR A 55 -7.132 -14.944 -10.288 1.00 0.00 N ATOM 840 CA THR A 55 -5.683 -15.020 -10.395 1.00 0.00 C ATOM 841 C THR A 55 -5.206 -16.418 -9.976 1.00 0.00 C ATOM 842 O THR A 55 -5.481 -16.855 -8.857 1.00 0.00 O ATOM 843 CB THR A 55 -5.018 -13.949 -9.500 1.00 0.00 C ATOM 844 OG1 THR A 55 -5.751 -12.718 -9.591 1.00 0.00 O ATOM 845 CG2 THR A 55 -3.568 -13.707 -9.911 1.00 0.00 C ATOM 0 H THR A 55 -7.467 -14.262 -9.607 1.00 0.00 H new ATOM 0 HA THR A 55 -5.397 -14.835 -11.431 1.00 0.00 H new ATOM 0 HB THR A 55 -5.028 -14.313 -8.473 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.328 -12.042 -9.021 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.128 -12.949 -9.263 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.004 -14.635 -9.819 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.535 -13.364 -10.945 1.00 0.00 H new ATOM 853 N PRO A 56 -4.501 -17.144 -10.867 1.00 0.00 N ATOM 854 CA PRO A 56 -4.091 -18.536 -10.612 1.00 0.00 C ATOM 855 C PRO A 56 -2.922 -18.650 -9.627 1.00 0.00 C ATOM 856 O PRO A 56 -2.441 -19.753 -9.348 1.00 0.00 O ATOM 857 CB PRO A 56 -3.680 -19.031 -12.005 1.00 0.00 C ATOM 858 CG PRO A 56 -3.201 -17.807 -12.710 1.00 0.00 C ATOM 859 CD PRO A 56 -4.054 -16.673 -12.198 1.00 0.00 C ATOM 0 HA PRO A 56 -4.888 -19.117 -10.147 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.896 -19.786 -11.943 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.520 -19.487 -12.528 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.146 -17.626 -12.504 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.301 -17.914 -13.790 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.486 -15.746 -12.125 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.899 -16.478 -12.858 1.00 0.00 H new ATOM 867 N LEU A 57 -2.473 -17.514 -9.105 1.00 0.00 N ATOM 868 CA LEU A 57 -1.351 -17.476 -8.172 1.00 0.00 C ATOM 869 C LEU A 57 -1.472 -16.275 -7.232 1.00 0.00 C ATOM 870 O LEU A 57 -2.163 -15.305 -7.550 1.00 0.00 O ATOM 871 CB LEU A 57 -0.014 -17.452 -8.953 1.00 0.00 C ATOM 872 CG LEU A 57 0.098 -16.418 -10.100 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.270 -14.994 -9.570 1.00 0.00 C ATOM 874 CD2 LEU A 57 1.246 -16.785 -11.041 1.00 0.00 C ATOM 0 H LEU A 57 -2.873 -16.599 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.369 -18.376 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.792 -17.263 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.155 -18.444 -9.371 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.838 -16.446 -10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.345 -14.301 -10.408 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.590 -14.729 -8.955 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.178 -14.936 -8.969 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.310 -16.048 -11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.183 -16.799 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.064 -17.771 -11.469 1.00 0.00 H new ATOM 886 N PRO A 58 -0.832 -16.333 -6.045 1.00 0.00 N ATOM 887 CA PRO A 58 -0.789 -15.197 -5.117 1.00 0.00 C ATOM 888 C PRO A 58 0.030 -14.046 -5.698 1.00 0.00 C ATOM 889 O PRO A 58 1.252 -14.149 -5.838 1.00 0.00 O ATOM 890 CB PRO A 58 -0.115 -15.778 -3.861 1.00 0.00 C ATOM 891 CG PRO A 58 0.674 -16.943 -4.359 1.00 0.00 C ATOM 892 CD PRO A 58 -0.113 -17.510 -5.511 1.00 0.00 C ATOM 0 HA PRO A 58 -1.775 -14.781 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.528 -15.041 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.854 -16.087 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.669 -16.633 -4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.810 -17.687 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.539 -17.958 -6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.803 -18.288 -5.183 1.00 0.00 H new ATOM 900 N ILE A 59 -0.644 -12.960 -6.054 1.00 0.00 N ATOM 901 CA ILE A 59 0.006 -11.834 -6.715 1.00 0.00 C ATOM 902 C ILE A 59 0.185 -10.662 -5.751 1.00 0.00 C ATOM 903 O ILE A 59 -0.710 -10.341 -4.965 1.00 0.00 O ATOM 904 CB ILE A 59 -0.800 -11.377 -7.961 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.116 -10.183 -8.653 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.236 -11.036 -7.578 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.835 -9.698 -9.897 1.00 0.00 C ATOM 0 H ILE A 59 -1.644 -12.834 -5.896 1.00 0.00 H new ATOM 0 HA ILE A 59 0.990 -12.170 -7.042 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.825 -12.204 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.042 -9.359 -7.944 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.902 -10.466 -8.921 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.784 -10.718 -8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.717 -11.916 -7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.235 -10.230 -6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.292 -8.856 -10.326 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.886 -10.507 -10.626 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.845 -9.382 -9.634 1.00 0.00 H new ATOM 919 N THR A 60 1.356 -10.039 -5.801 1.00 0.00 N ATOM 920 CA THR A 60 1.646 -8.873 -4.983 1.00 0.00 C ATOM 921 C THR A 60 1.389 -7.590 -5.777 1.00 0.00 C ATOM 922 O THR A 60 2.014 -7.356 -6.815 1.00 0.00 O ATOM 923 CB THR A 60 3.109 -8.901 -4.488 1.00 0.00 C ATOM 924 OG1 THR A 60 3.346 -10.101 -3.737 1.00 0.00 O ATOM 925 CG2 THR A 60 3.421 -7.689 -3.620 1.00 0.00 C ATOM 0 H THR A 60 2.125 -10.327 -6.406 1.00 0.00 H new ATOM 0 HA THR A 60 0.986 -8.893 -4.116 1.00 0.00 H new ATOM 0 HB THR A 60 3.761 -8.876 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.276 -10.115 -3.427 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.458 -7.737 -3.287 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.268 -6.778 -4.199 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.761 -7.683 -2.752 1.00 0.00 H new ATOM 933 N VAL A 61 0.460 -6.772 -5.292 1.00 0.00 N ATOM 934 CA VAL A 61 0.076 -5.537 -5.970 1.00 0.00 C ATOM 935 C VAL A 61 0.310 -4.328 -5.069 1.00 0.00 C ATOM 936 O VAL A 61 0.757 -4.468 -3.925 1.00 0.00 O ATOM 937 CB VAL A 61 -1.412 -5.569 -6.416 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.640 -6.661 -7.460 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.340 -5.762 -5.215 1.00 0.00 C ATOM 0 H VAL A 61 -0.046 -6.944 -4.423 1.00 0.00 H new ATOM 0 HA VAL A 61 0.702 -5.451 -6.858 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.649 -4.608 -6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.688 -6.666 -7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.015 -6.467 -8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.379 -7.630 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.376 -5.781 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.103 -6.704 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.203 -4.939 -4.514 1.00 0.00 H new ATOM 949 N GLU A 62 0.029 -3.145 -5.605 1.00 0.00 N ATOM 950 CA GLU A 62 0.163 -1.899 -4.859 1.00 0.00 C ATOM 951 C GLU A 62 -1.002 -1.739 -3.887 1.00 0.00 C ATOM 952 O GLU A 62 -2.112 -2.205 -4.152 1.00 0.00 O ATOM 953 CB GLU A 62 0.222 -0.698 -5.817 1.00 0.00 C ATOM 954 CG GLU A 62 1.475 -0.651 -6.691 1.00 0.00 C ATOM 955 CD GLU A 62 1.616 -1.862 -7.601 1.00 0.00 C ATOM 956 OE1 GLU A 62 0.845 -1.971 -8.580 1.00 0.00 O ATOM 957 OE2 GLU A 62 2.496 -2.714 -7.343 1.00 0.00 O ATOM 0 H GLU A 62 -0.296 -3.023 -6.564 1.00 0.00 H new ATOM 0 HA GLU A 62 1.093 -1.935 -4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.656 -0.720 -6.462 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.166 0.221 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.452 0.253 -7.300 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.354 -0.581 -6.051 1.00 0.00 H new ATOM 964 N ALA A 63 -0.743 -1.080 -2.764 1.00 0.00 N ATOM 965 CA ALA A 63 -1.748 -0.905 -1.720 1.00 0.00 C ATOM 966 C ALA A 63 -2.315 0.513 -1.722 1.00 0.00 C ATOM 967 O ALA A 63 -1.685 1.451 -2.219 1.00 0.00 O ATOM 968 CB ALA A 63 -1.153 -1.235 -0.354 1.00 0.00 C ATOM 0 H ALA A 63 0.160 -0.655 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.568 -1.592 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.913 -1.100 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.809 -2.269 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.312 -0.571 -0.154 1.00 0.00 H new ATOM 974 N ARG A 64 -3.518 0.646 -1.177 1.00 0.00 N ATOM 975 CA ARG A 64 -4.169 1.938 -0.993 1.00 0.00 C ATOM 976 C ARG A 64 -5.294 1.786 0.030 1.00 0.00 C ATOM 977 O ARG A 64 -6.332 1.196 -0.269 1.00 0.00 O ATOM 978 CB ARG A 64 -4.732 2.463 -2.322 1.00 0.00 C ATOM 979 CG ARG A 64 -5.363 3.853 -2.226 1.00 0.00 C ATOM 980 CD ARG A 64 -4.330 4.980 -2.316 1.00 0.00 C ATOM 981 NE ARG A 64 -3.179 4.786 -1.423 1.00 0.00 N ATOM 982 CZ ARG A 64 -2.997 5.429 -0.264 1.00 0.00 C ATOM 983 NH1 ARG A 64 -3.936 6.234 0.213 1.00 0.00 N ATOM 984 NH2 ARG A 64 -1.874 5.244 0.421 1.00 0.00 N ATOM 0 H ARG A 64 -4.073 -0.144 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.434 2.658 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.929 2.490 -3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.480 1.761 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.094 3.971 -3.026 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.905 3.937 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.975 5.057 -3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.813 5.927 -2.074 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.468 4.113 -1.707 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.805 6.367 -0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.790 6.721 1.097 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.156 4.614 0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.730 5.732 1.305 1.00 0.00 H new ATOM 998 N LYS A 65 -5.073 2.287 1.241 1.00 0.00 N ATOM 999 CA LYS A 65 -6.054 2.151 2.315 1.00 0.00 C ATOM 1000 C LYS A 65 -7.243 3.080 2.094 1.00 0.00 C ATOM 1001 O LYS A 65 -7.081 4.218 1.644 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.411 2.443 3.680 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.413 2.434 4.836 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.751 2.742 6.175 1.00 0.00 C ATOM 1005 CE LYS A 65 -6.781 2.879 7.294 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.608 1.652 7.460 1.00 0.00 N ATOM 0 H LYS A 65 -4.226 2.790 1.504 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.412 1.121 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.636 1.702 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.920 3.415 3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.195 3.168 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.897 1.459 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.046 1.949 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.177 3.665 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.268 3.097 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.433 3.727 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.066 1.666 8.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.336 1.621 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.001 0.811 7.385 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.434 2.583 2.406 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.651 3.378 2.337 1.00 0.00 C ATOM 1022 C LEU A 66 -10.003 3.891 3.733 1.00 0.00 C ATOM 1023 O LEU A 66 -9.937 5.118 3.958 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.805 2.542 1.763 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.534 1.919 0.383 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.756 1.152 -0.115 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -10.117 2.989 -0.624 1.00 0.00 C ATOM 1028 OXT LEU A 66 -10.307 3.061 4.615 1.00 0.00 O ATOM 0 H LEU A 66 -8.582 1.621 2.713 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.487 4.229 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.039 1.743 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.691 3.173 1.692 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.710 1.213 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.541 0.720 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.997 0.355 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.604 1.832 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.931 2.524 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.914 3.726 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.208 3.481 -0.277 1.00 0.00 H new TER 1040 LEU A 66