USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 21 LYS NZ :NH3+ -173:sc= 0.755 (180deg=0) USER MOD Set 1.2: A 23 TYR OH : rot 180:sc= 0.674 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.166 (180deg=-1.55) USER MOD Single : A 1 MET N :NH3+ -155:sc= 0.00999 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 9 GLN : amide:sc= -0.416 K(o=-0.42,f=-2.2!) USER MOD Single : A 13 SER OG : rot 86:sc= 1.05 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.798 K(o=-0.8,f=-4.8!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 84:sc= 0.0432 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 176:sc= -5.28! (180deg=-5.29!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 129:sc= 0.323 USER MOD Single : A 60 TYR OH : rot 178:sc= -0.115 USER MOD Single : A 64 SER OG : rot -77:sc= 0.552 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.503 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 159:sc= 0.239 (180deg=0.095) USER MOD Single : B 15 THR OG1 : rot 81:sc= 0.16 USER MOD Single : B 22 GLN : amide:sc= -0.554 K(o=-0.55,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.468 -9.694 -4.626 1.00 0.00 N ATOM 2 CA MET A 1 -7.003 -9.873 -4.841 1.00 0.00 C ATOM 3 C MET A 1 -6.214 -9.036 -3.829 1.00 0.00 C ATOM 4 O MET A 1 -6.660 -8.800 -2.723 1.00 0.00 O ATOM 5 CB MET A 1 -6.747 -9.374 -6.263 1.00 0.00 C ATOM 6 CG MET A 1 -5.869 -10.380 -7.006 1.00 0.00 C ATOM 7 SD MET A 1 -6.514 -10.626 -8.679 1.00 0.00 S ATOM 8 CE MET A 1 -6.607 -8.880 -9.146 1.00 0.00 C ATOM 0 H1 MET A 1 -8.976 -10.528 -4.984 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.659 -9.582 -3.610 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.792 -8.847 -5.134 1.00 0.00 H new ATOM 0 HA MET A 1 -6.690 -10.909 -4.710 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.692 -9.242 -6.789 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.259 -8.400 -6.236 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.842 -10.019 -7.051 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.850 -11.328 -6.469 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.495 -8.786 -10.226 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.572 -8.474 -8.844 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.810 -8.327 -8.649 1.00 0.00 H new ATOM 18 N ALA A 2 -5.046 -8.586 -4.199 1.00 0.00 N ATOM 19 CA ALA A 2 -4.231 -7.766 -3.256 1.00 0.00 C ATOM 20 C ALA A 2 -3.979 -8.544 -1.962 1.00 0.00 C ATOM 21 O ALA A 2 -4.478 -9.636 -1.775 1.00 0.00 O ATOM 22 CB ALA A 2 -5.077 -6.524 -2.980 1.00 0.00 C ATOM 0 H ALA A 2 -4.621 -8.750 -5.112 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.254 -7.510 -3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.545 -5.867 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.263 -5.996 -3.915 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.027 -6.822 -2.536 1.00 0.00 H new ATOM 28 N ASP A 3 -3.209 -7.990 -1.065 1.00 0.00 N ATOM 29 CA ASP A 3 -2.927 -8.700 0.216 1.00 0.00 C ATOM 30 C ASP A 3 -2.033 -7.840 1.114 1.00 0.00 C ATOM 31 O ASP A 3 -1.242 -7.048 0.643 1.00 0.00 O ATOM 32 CB ASP A 3 -2.199 -9.982 -0.192 1.00 0.00 C ATOM 33 CG ASP A 3 -3.008 -11.196 0.267 1.00 0.00 C ATOM 34 OD1 ASP A 3 -2.791 -11.640 1.383 1.00 0.00 O ATOM 35 OD2 ASP A 3 -3.830 -11.663 -0.504 1.00 0.00 O ATOM 0 H ASP A 3 -2.763 -7.078 -1.163 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.837 -8.908 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.065 -10.008 -1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.204 -10.005 0.253 1.00 0.00 H new ATOM 40 N THR A 4 -2.152 -7.991 2.406 1.00 0.00 N ATOM 41 CA THR A 4 -1.308 -7.181 3.332 1.00 0.00 C ATOM 42 C THR A 4 -1.445 -7.705 4.765 1.00 0.00 C ATOM 43 O THR A 4 -2.467 -8.242 5.145 1.00 0.00 O ATOM 44 CB THR A 4 -1.858 -5.757 3.224 1.00 0.00 C ATOM 45 OG1 THR A 4 -1.181 -4.919 4.151 1.00 0.00 O ATOM 46 CG2 THR A 4 -3.356 -5.762 3.536 1.00 0.00 C ATOM 0 H THR A 4 -2.796 -8.639 2.860 1.00 0.00 H new ATOM 0 HA THR A 4 -0.249 -7.229 3.077 1.00 0.00 H new ATOM 0 HB THR A 4 -1.702 -5.381 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.530 -4.006 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.747 -4.748 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.874 -6.405 2.825 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.516 -6.137 4.547 1.00 0.00 H new ATOM 54 N ASP A 5 -0.422 -7.555 5.564 1.00 0.00 N ATOM 55 CA ASP A 5 -0.497 -8.047 6.971 1.00 0.00 C ATOM 56 C ASP A 5 0.866 -7.904 7.657 1.00 0.00 C ATOM 57 O ASP A 5 1.821 -7.440 7.068 1.00 0.00 O ATOM 58 CB ASP A 5 -0.884 -9.522 6.852 1.00 0.00 C ATOM 59 CG ASP A 5 -2.209 -9.764 7.577 1.00 0.00 C ATOM 60 OD1 ASP A 5 -3.243 -9.564 6.963 1.00 0.00 O ATOM 61 OD2 ASP A 5 -2.166 -10.145 8.735 1.00 0.00 O ATOM 0 H ASP A 5 0.460 -7.114 5.304 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.213 -7.483 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -0.976 -9.801 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.103 -10.149 7.281 1.00 0.00 H new ATOM 66 N THR A 6 0.961 -8.300 8.898 1.00 0.00 N ATOM 67 CA THR A 6 2.262 -8.187 9.620 1.00 0.00 C ATOM 68 C THR A 6 3.284 -9.154 9.017 1.00 0.00 C ATOM 69 O THR A 6 4.311 -8.749 8.507 1.00 0.00 O ATOM 70 CB THR A 6 1.950 -8.571 11.067 1.00 0.00 C ATOM 71 OG1 THR A 6 1.117 -9.722 11.081 1.00 0.00 O ATOM 72 CG2 THR A 6 1.235 -7.411 11.761 1.00 0.00 C ATOM 0 H THR A 6 0.195 -8.696 9.443 1.00 0.00 H new ATOM 0 HA THR A 6 2.688 -7.186 9.549 1.00 0.00 H new ATOM 0 HB THR A 6 2.879 -8.789 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.918 -9.970 12.008 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.013 -7.685 12.792 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.876 -6.530 11.750 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.306 -7.190 11.236 1.00 0.00 H new ATOM 80 N ALA A 7 3.011 -10.430 9.067 1.00 0.00 N ATOM 81 CA ALA A 7 3.966 -11.417 8.490 1.00 0.00 C ATOM 82 C ALA A 7 4.207 -11.090 7.018 1.00 0.00 C ATOM 83 O ALA A 7 5.327 -11.082 6.545 1.00 0.00 O ATOM 84 CB ALA A 7 3.276 -12.773 8.638 1.00 0.00 C ATOM 0 H ALA A 7 2.169 -10.830 9.482 1.00 0.00 H new ATOM 0 HA ALA A 7 4.936 -11.406 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.919 -13.555 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.084 -12.970 9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.332 -12.762 8.093 1.00 0.00 H new ATOM 90 N GLU A 8 3.161 -10.805 6.293 1.00 0.00 N ATOM 91 CA GLU A 8 3.320 -10.461 4.853 1.00 0.00 C ATOM 92 C GLU A 8 4.198 -9.215 4.717 1.00 0.00 C ATOM 93 O GLU A 8 4.981 -9.090 3.796 1.00 0.00 O ATOM 94 CB GLU A 8 1.903 -10.180 4.351 1.00 0.00 C ATOM 95 CG GLU A 8 1.834 -10.438 2.844 1.00 0.00 C ATOM 96 CD GLU A 8 0.517 -9.890 2.290 1.00 0.00 C ATOM 97 OE1 GLU A 8 -0.498 -10.071 2.942 1.00 0.00 O ATOM 98 OE2 GLU A 8 0.546 -9.299 1.223 1.00 0.00 O ATOM 0 H GLU A 8 2.201 -10.796 6.637 1.00 0.00 H new ATOM 0 HA GLU A 8 3.797 -11.257 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.188 -10.816 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.627 -9.148 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.677 -9.961 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.908 -11.507 2.644 1.00 0.00 H new ATOM 105 N GLN A 9 4.069 -8.288 5.629 1.00 0.00 N ATOM 106 CA GLN A 9 4.893 -7.048 5.553 1.00 0.00 C ATOM 107 C GLN A 9 6.382 -7.392 5.652 1.00 0.00 C ATOM 108 O GLN A 9 7.184 -6.943 4.858 1.00 0.00 O ATOM 109 CB GLN A 9 4.456 -6.205 6.751 1.00 0.00 C ATOM 110 CG GLN A 9 3.585 -5.044 6.266 1.00 0.00 C ATOM 111 CD GLN A 9 4.393 -4.168 5.308 1.00 0.00 C ATOM 112 OE1 GLN A 9 5.606 -4.220 5.295 1.00 0.00 O ATOM 113 NE2 GLN A 9 3.766 -3.359 4.497 1.00 0.00 N ATOM 0 H GLN A 9 3.429 -8.336 6.422 1.00 0.00 H new ATOM 0 HA GLN A 9 4.753 -6.519 4.610 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.900 -6.820 7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.330 -5.823 7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.696 -5.427 5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.242 -4.453 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.747 -3.315 4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.295 -2.771 3.853 1.00 0.00 H new ATOM 122 N VAL A 10 6.760 -8.192 6.613 1.00 0.00 N ATOM 123 CA VAL A 10 8.200 -8.563 6.743 1.00 0.00 C ATOM 124 C VAL A 10 8.675 -9.236 5.453 1.00 0.00 C ATOM 125 O VAL A 10 9.761 -8.979 4.971 1.00 0.00 O ATOM 126 CB VAL A 10 8.259 -9.541 7.915 1.00 0.00 C ATOM 127 CG1 VAL A 10 9.715 -9.923 8.188 1.00 0.00 C ATOM 128 CG2 VAL A 10 7.667 -8.878 9.161 1.00 0.00 C ATOM 0 H VAL A 10 6.139 -8.603 7.310 1.00 0.00 H new ATOM 0 HA VAL A 10 8.841 -7.698 6.912 1.00 0.00 H new ATOM 0 HB VAL A 10 7.687 -10.436 7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.757 -10.621 9.024 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.140 -10.393 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.286 -9.028 8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.708 -9.575 9.998 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.240 -7.984 9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.630 -8.603 8.969 1.00 0.00 H new ATOM 138 N ILE A 11 7.864 -10.087 4.887 1.00 0.00 N ATOM 139 CA ILE A 11 8.261 -10.765 3.621 1.00 0.00 C ATOM 140 C ILE A 11 8.479 -9.718 2.529 1.00 0.00 C ATOM 141 O ILE A 11 9.459 -9.747 1.812 1.00 0.00 O ATOM 142 CB ILE A 11 7.083 -11.676 3.272 1.00 0.00 C ATOM 143 CG1 ILE A 11 6.884 -12.699 4.394 1.00 0.00 C ATOM 144 CG2 ILE A 11 7.373 -12.408 1.960 1.00 0.00 C ATOM 145 CD1 ILE A 11 5.482 -13.303 4.292 1.00 0.00 C ATOM 0 H ILE A 11 6.944 -10.342 5.246 1.00 0.00 H new ATOM 0 HA ILE A 11 9.188 -11.330 3.717 1.00 0.00 H new ATOM 0 HB ILE A 11 6.180 -11.076 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.636 -13.485 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.015 -12.220 5.364 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.533 -13.057 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.517 -11.680 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.276 -13.009 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.341 -14.031 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.738 -12.512 4.386 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.368 -13.796 3.327 1.00 0.00 H new ATOM 157 N ALA A 12 7.577 -8.780 2.409 1.00 0.00 N ATOM 158 CA ALA A 12 7.743 -7.720 1.376 1.00 0.00 C ATOM 159 C ALA A 12 9.000 -6.910 1.687 1.00 0.00 C ATOM 160 O ALA A 12 9.824 -6.667 0.828 1.00 0.00 O ATOM 161 CB ALA A 12 6.493 -6.846 1.493 1.00 0.00 C ATOM 0 H ALA A 12 6.736 -8.703 2.980 1.00 0.00 H new ATOM 0 HA ALA A 12 7.852 -8.123 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.543 -6.040 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.607 -7.452 1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.438 -6.422 2.496 1.00 0.00 H new ATOM 167 N SER A 13 9.164 -6.506 2.917 1.00 0.00 N ATOM 168 CA SER A 13 10.380 -5.732 3.283 1.00 0.00 C ATOM 169 C SER A 13 11.613 -6.608 3.062 1.00 0.00 C ATOM 170 O SER A 13 12.636 -6.153 2.591 1.00 0.00 O ATOM 171 CB SER A 13 10.214 -5.396 4.764 1.00 0.00 C ATOM 172 OG SER A 13 8.928 -4.825 4.975 1.00 0.00 O ATOM 0 H SER A 13 8.510 -6.678 3.681 1.00 0.00 H new ATOM 0 HA SER A 13 10.504 -4.829 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.329 -6.296 5.368 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.990 -4.699 5.080 1.00 0.00 H new ATOM 0 HG SER A 13 8.270 -5.540 5.104 1.00 0.00 H new ATOM 178 N PHE A 14 11.515 -7.870 3.388 1.00 0.00 N ATOM 179 CA PHE A 14 12.674 -8.782 3.182 1.00 0.00 C ATOM 180 C PHE A 14 12.932 -8.945 1.685 1.00 0.00 C ATOM 181 O PHE A 14 14.058 -8.904 1.230 1.00 0.00 O ATOM 182 CB PHE A 14 12.253 -10.111 3.807 1.00 0.00 C ATOM 183 CG PHE A 14 12.823 -10.212 5.202 1.00 0.00 C ATOM 184 CD1 PHE A 14 14.181 -9.954 5.423 1.00 0.00 C ATOM 185 CD2 PHE A 14 11.994 -10.561 6.274 1.00 0.00 C ATOM 186 CE1 PHE A 14 14.710 -10.046 6.716 1.00 0.00 C ATOM 187 CE2 PHE A 14 12.522 -10.653 7.567 1.00 0.00 C ATOM 188 CZ PHE A 14 13.880 -10.395 7.788 1.00 0.00 C ATOM 0 H PHE A 14 10.684 -8.306 3.787 1.00 0.00 H new ATOM 0 HA PHE A 14 13.593 -8.404 3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 14 11.166 -10.182 3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.608 -10.941 3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.821 -9.684 4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.946 -10.759 6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 14 15.758 -9.848 6.886 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.882 -10.923 8.394 1.00 0.00 H new ATOM 0 HZ PHE A 14 14.287 -10.465 8.786 1.00 0.00 H new ATOM 198 N ARG A 15 11.893 -9.116 0.911 1.00 0.00 N ATOM 199 CA ARG A 15 12.082 -9.262 -0.557 1.00 0.00 C ATOM 200 C ARG A 15 12.906 -8.084 -1.072 1.00 0.00 C ATOM 201 O ARG A 15 13.816 -8.244 -1.862 1.00 0.00 O ATOM 202 CB ARG A 15 10.671 -9.235 -1.147 1.00 0.00 C ATOM 203 CG ARG A 15 10.445 -10.489 -1.992 1.00 0.00 C ATOM 204 CD ARG A 15 11.002 -10.266 -3.400 1.00 0.00 C ATOM 205 NE ARG A 15 9.837 -10.457 -4.308 1.00 0.00 N ATOM 206 CZ ARG A 15 9.295 -11.638 -4.440 1.00 0.00 C ATOM 207 NH1 ARG A 15 9.766 -12.655 -3.768 1.00 0.00 N ATOM 208 NH2 ARG A 15 8.279 -11.803 -5.241 1.00 0.00 N ATOM 0 H ARG A 15 10.926 -9.160 1.233 1.00 0.00 H new ATOM 0 HA ARG A 15 12.608 -10.177 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.932 -9.185 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.539 -8.343 -1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.934 -11.346 -1.528 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.381 -10.719 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.424 -9.266 -3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.799 -10.974 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 15 9.462 -9.664 -4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.559 -12.527 -3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.341 -13.576 -3.873 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.908 -11.010 -5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.856 -12.725 -5.344 1.00 0.00 H new ATOM 222 N ILE A 16 12.603 -6.900 -0.612 1.00 0.00 N ATOM 223 CA ILE A 16 13.377 -5.708 -1.055 1.00 0.00 C ATOM 224 C ILE A 16 14.854 -5.899 -0.700 1.00 0.00 C ATOM 225 O ILE A 16 15.733 -5.644 -1.498 1.00 0.00 O ATOM 226 CB ILE A 16 12.781 -4.534 -0.278 1.00 0.00 C ATOM 227 CG1 ILE A 16 11.371 -4.245 -0.797 1.00 0.00 C ATOM 228 CG2 ILE A 16 13.656 -3.294 -0.467 1.00 0.00 C ATOM 229 CD1 ILE A 16 10.796 -3.030 -0.067 1.00 0.00 C ATOM 0 H ILE A 16 11.852 -6.708 0.052 1.00 0.00 H new ATOM 0 HA ILE A 16 13.320 -5.545 -2.131 1.00 0.00 H new ATOM 0 HB ILE A 16 12.737 -4.787 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.399 -4.058 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.730 -5.113 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 16 13.228 -2.459 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 16 14.661 -3.498 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.703 -3.040 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.792 -2.825 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.754 -3.235 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.433 -2.163 -0.246 1.00 0.00 H new ATOM 241 N LEU A 17 15.133 -6.356 0.493 1.00 0.00 N ATOM 242 CA LEU A 17 16.553 -6.572 0.893 1.00 0.00 C ATOM 243 C LEU A 17 17.172 -7.676 0.031 1.00 0.00 C ATOM 244 O LEU A 17 18.297 -7.574 -0.416 1.00 0.00 O ATOM 245 CB LEU A 17 16.495 -7.011 2.357 1.00 0.00 C ATOM 246 CG LEU A 17 15.743 -5.963 3.179 1.00 0.00 C ATOM 247 CD1 LEU A 17 15.880 -6.285 4.669 1.00 0.00 C ATOM 248 CD2 LEU A 17 16.333 -4.580 2.901 1.00 0.00 C ATOM 0 H LEU A 17 14.440 -6.588 1.205 1.00 0.00 H new ATOM 0 HA LEU A 17 17.161 -5.677 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.997 -7.977 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 17 17.504 -7.139 2.749 1.00 0.00 H new ATOM 0 HG LEU A 17 14.689 -5.973 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.344 -5.537 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.460 -7.271 4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.934 -6.276 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.798 -3.832 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.387 -4.572 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.235 -4.349 1.840 1.00 0.00 H new ATOM 260 N ALA A 18 16.438 -8.729 -0.207 1.00 0.00 N ATOM 261 CA ALA A 18 16.974 -9.842 -1.042 1.00 0.00 C ATOM 262 C ALA A 18 16.946 -9.453 -2.522 1.00 0.00 C ATOM 263 O ALA A 18 17.377 -10.198 -3.378 1.00 0.00 O ATOM 264 CB ALA A 18 16.036 -11.021 -0.776 1.00 0.00 C ATOM 0 H ALA A 18 15.489 -8.867 0.141 1.00 0.00 H new ATOM 0 HA ALA A 18 18.009 -10.082 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.363 -11.884 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.055 -11.269 0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.021 -10.751 -1.068 1.00 0.00 H new ATOM 270 N SER A 19 16.445 -8.287 -2.827 1.00 0.00 N ATOM 271 CA SER A 19 16.392 -7.844 -4.250 1.00 0.00 C ATOM 272 C SER A 19 15.453 -8.748 -5.054 1.00 0.00 C ATOM 273 O SER A 19 15.891 -9.608 -5.792 1.00 0.00 O ATOM 274 CB SER A 19 17.828 -7.975 -4.755 1.00 0.00 C ATOM 275 OG SER A 19 18.340 -6.683 -5.057 1.00 0.00 O ATOM 0 H SER A 19 16.070 -7.621 -2.152 1.00 0.00 H new ATOM 0 HA SER A 19 16.013 -6.827 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.449 -8.457 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.857 -8.607 -5.643 1.00 0.00 H new ATOM 0 HG SER A 19 19.262 -6.764 -5.380 1.00 0.00 H new ATOM 281 N ASP A 20 14.166 -8.554 -4.915 1.00 0.00 N ATOM 282 CA ASP A 20 13.183 -9.394 -5.668 1.00 0.00 C ATOM 283 C ASP A 20 13.674 -10.843 -5.760 1.00 0.00 C ATOM 284 O ASP A 20 13.626 -11.459 -6.806 1.00 0.00 O ATOM 285 CB ASP A 20 13.099 -8.764 -7.059 1.00 0.00 C ATOM 286 CG ASP A 20 14.425 -8.958 -7.795 1.00 0.00 C ATOM 287 OD1 ASP A 20 15.296 -8.118 -7.637 1.00 0.00 O ATOM 288 OD2 ASP A 20 14.548 -9.943 -8.504 1.00 0.00 O ATOM 0 H ASP A 20 13.751 -7.846 -4.309 1.00 0.00 H new ATOM 0 HA ASP A 20 12.211 -9.423 -5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.287 -9.219 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.871 -7.701 -6.974 1.00 0.00 H new ATOM 293 N LYS A 21 14.146 -11.388 -4.672 1.00 0.00 N ATOM 294 CA LYS A 21 14.642 -12.793 -4.695 1.00 0.00 C ATOM 295 C LYS A 21 13.875 -13.638 -3.678 1.00 0.00 C ATOM 296 O LYS A 21 13.512 -13.164 -2.620 1.00 0.00 O ATOM 297 CB LYS A 21 16.119 -12.698 -4.315 1.00 0.00 C ATOM 298 CG LYS A 21 16.940 -12.296 -5.543 1.00 0.00 C ATOM 299 CD LYS A 21 17.743 -13.501 -6.040 1.00 0.00 C ATOM 300 CE LYS A 21 18.817 -13.030 -7.023 1.00 0.00 C ATOM 301 NZ LYS A 21 19.096 -14.214 -7.882 1.00 0.00 N ATOM 0 H LYS A 21 14.209 -10.920 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 21 14.504 -13.266 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.254 -11.966 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.468 -13.656 -3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.280 -11.935 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 21 17.613 -11.477 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.206 -14.015 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.080 -14.218 -6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.467 -12.185 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 21 19.715 -12.701 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.904 -14.009 -8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.319 -15.033 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.259 -14.427 -8.462 1.00 0.00 H new ATOM 315 N PRO A 22 13.660 -14.872 -4.041 1.00 0.00 N ATOM 316 CA PRO A 22 12.926 -15.781 -3.123 1.00 0.00 C ATOM 317 C PRO A 22 13.743 -16.021 -1.852 1.00 0.00 C ATOM 318 O PRO A 22 13.271 -16.614 -0.903 1.00 0.00 O ATOM 319 CB PRO A 22 12.765 -17.084 -3.911 1.00 0.00 C ATOM 320 CG PRO A 22 13.652 -16.953 -5.108 1.00 0.00 C ATOM 321 CD PRO A 22 13.858 -15.486 -5.355 1.00 0.00 C ATOM 0 HA PRO A 22 11.967 -15.369 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.051 -17.944 -3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.727 -17.234 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.606 -17.451 -4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.197 -17.429 -5.977 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.856 -15.283 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.147 -15.101 -6.086 1.00 0.00 H new ATOM 329 N TYR A 23 14.965 -15.565 -1.827 1.00 0.00 N ATOM 330 CA TYR A 23 15.809 -15.774 -0.614 1.00 0.00 C ATOM 331 C TYR A 23 16.705 -14.557 -0.375 1.00 0.00 C ATOM 332 O TYR A 23 16.844 -13.700 -1.224 1.00 0.00 O ATOM 333 CB TYR A 23 16.657 -17.006 -0.930 1.00 0.00 C ATOM 334 CG TYR A 23 17.447 -16.755 -2.191 1.00 0.00 C ATOM 335 CD1 TYR A 23 16.810 -16.801 -3.436 1.00 0.00 C ATOM 336 CD2 TYR A 23 18.817 -16.473 -2.115 1.00 0.00 C ATOM 337 CE1 TYR A 23 17.541 -16.565 -4.606 1.00 0.00 C ATOM 338 CE2 TYR A 23 19.547 -16.235 -3.285 1.00 0.00 C ATOM 339 CZ TYR A 23 18.910 -16.281 -4.530 1.00 0.00 C ATOM 340 OH TYR A 23 19.630 -16.046 -5.684 1.00 0.00 O ATOM 0 H TYR A 23 15.415 -15.059 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 23 15.210 -15.909 0.286 1.00 0.00 H new ATOM 0 HB2 TYR A 23 17.331 -17.220 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 23 16.018 -17.880 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 23 15.754 -17.019 -3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 23 19.309 -16.439 -1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 23 17.049 -16.602 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 23 20.603 -16.016 -3.227 1.00 0.00 H new ATOM 0 HH TYR A 23 20.565 -15.864 -5.455 1.00 0.00 H new ATOM 350 N ILE A 24 17.316 -14.477 0.776 1.00 0.00 N ATOM 351 CA ILE A 24 18.206 -13.318 1.067 1.00 0.00 C ATOM 352 C ILE A 24 19.611 -13.820 1.427 1.00 0.00 C ATOM 353 O ILE A 24 19.766 -14.814 2.109 1.00 0.00 O ATOM 354 CB ILE A 24 17.540 -12.599 2.251 1.00 0.00 C ATOM 355 CG1 ILE A 24 17.906 -11.112 2.220 1.00 0.00 C ATOM 356 CG2 ILE A 24 18.003 -13.212 3.577 1.00 0.00 C ATOM 357 CD1 ILE A 24 19.401 -10.942 2.493 1.00 0.00 C ATOM 0 H ILE A 24 17.237 -15.164 1.526 1.00 0.00 H new ATOM 0 HA ILE A 24 18.327 -12.648 0.216 1.00 0.00 H new ATOM 0 HB ILE A 24 16.459 -12.713 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 17.653 -10.686 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 24 17.326 -10.570 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.523 -12.692 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.731 -14.267 3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.085 -13.113 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.657 -9.883 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 24 19.641 -11.352 3.474 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.973 -11.470 1.730 1.00 0.00 H new ATOM 369 N LEU A 25 20.633 -13.146 0.974 1.00 0.00 N ATOM 370 CA LEU A 25 22.017 -13.597 1.294 1.00 0.00 C ATOM 371 C LEU A 25 22.419 -13.119 2.689 1.00 0.00 C ATOM 372 O LEU A 25 21.973 -12.091 3.158 1.00 0.00 O ATOM 373 CB LEU A 25 22.908 -12.953 0.230 1.00 0.00 C ATOM 374 CG LEU A 25 23.315 -14.006 -0.802 1.00 0.00 C ATOM 375 CD1 LEU A 25 22.107 -14.377 -1.663 1.00 0.00 C ATOM 376 CD2 LEU A 25 24.424 -13.442 -1.694 1.00 0.00 C ATOM 0 H LEU A 25 20.570 -12.306 0.399 1.00 0.00 H new ATOM 0 HA LEU A 25 22.104 -14.683 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 25 22.376 -12.136 -0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 25 23.795 -12.523 0.695 1.00 0.00 H new ATOM 0 HG LEU A 25 23.677 -14.896 -0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.400 -15.127 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 25 21.318 -14.779 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.741 -13.489 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 25 24.715 -14.191 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 25 24.061 -12.551 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 25 25.287 -13.181 -1.081 1.00 0.00 H new ATOM 388 N ALA A 26 23.259 -13.860 3.355 1.00 0.00 N ATOM 389 CA ALA A 26 23.692 -13.453 4.722 1.00 0.00 C ATOM 390 C ALA A 26 24.413 -12.106 4.670 1.00 0.00 C ATOM 391 O ALA A 26 24.234 -11.261 5.525 1.00 0.00 O ATOM 392 CB ALA A 26 24.648 -14.555 5.180 1.00 0.00 C ATOM 0 H ALA A 26 23.665 -14.731 3.012 1.00 0.00 H new ATOM 0 HA ALA A 26 22.849 -13.335 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 26 25.012 -14.328 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.123 -15.510 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 26 25.492 -14.614 4.492 1.00 0.00 H new ATOM 398 N GLU A 27 25.225 -11.896 3.672 1.00 0.00 N ATOM 399 CA GLU A 27 25.954 -10.601 3.567 1.00 0.00 C ATOM 400 C GLU A 27 24.958 -9.457 3.382 1.00 0.00 C ATOM 401 O GLU A 27 25.140 -8.372 3.898 1.00 0.00 O ATOM 402 CB GLU A 27 26.844 -10.748 2.335 1.00 0.00 C ATOM 403 CG GLU A 27 27.708 -9.496 2.172 1.00 0.00 C ATOM 404 CD GLU A 27 28.613 -9.656 0.949 1.00 0.00 C ATOM 405 OE1 GLU A 27 28.114 -9.510 -0.155 1.00 0.00 O ATOM 406 OE2 GLU A 27 29.789 -9.920 1.136 1.00 0.00 O ATOM 0 H GLU A 27 25.415 -12.564 2.925 1.00 0.00 H new ATOM 0 HA GLU A 27 26.536 -10.375 4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 27 27.478 -11.629 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 27 26.230 -10.897 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 27 27.074 -8.617 2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.311 -9.339 3.066 1.00 0.00 H new ATOM 413 N GLU A 28 23.899 -9.693 2.659 1.00 0.00 N ATOM 414 CA GLU A 28 22.889 -8.617 2.455 1.00 0.00 C ATOM 415 C GLU A 28 22.319 -8.196 3.809 1.00 0.00 C ATOM 416 O GLU A 28 22.065 -7.034 4.056 1.00 0.00 O ATOM 417 CB GLU A 28 21.804 -9.247 1.581 1.00 0.00 C ATOM 418 CG GLU A 28 22.198 -9.113 0.109 1.00 0.00 C ATOM 419 CD GLU A 28 21.386 -7.990 -0.537 1.00 0.00 C ATOM 420 OE1 GLU A 28 21.181 -6.982 0.119 1.00 0.00 O ATOM 421 OE2 GLU A 28 20.984 -8.156 -1.677 1.00 0.00 O ATOM 0 H GLU A 28 23.689 -10.581 2.202 1.00 0.00 H new ATOM 0 HA GLU A 28 23.309 -7.726 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 28 21.677 -10.298 1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 28 20.847 -8.756 1.759 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.264 -8.900 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.018 -10.053 -0.413 1.00 0.00 H new ATOM 428 N LEU A 29 22.130 -9.137 4.695 1.00 0.00 N ATOM 429 CA LEU A 29 21.590 -8.796 6.040 1.00 0.00 C ATOM 430 C LEU A 29 22.610 -7.949 6.803 1.00 0.00 C ATOM 431 O LEU A 29 22.259 -7.047 7.537 1.00 0.00 O ATOM 432 CB LEU A 29 21.384 -10.142 6.738 1.00 0.00 C ATOM 433 CG LEU A 29 20.263 -10.913 6.039 1.00 0.00 C ATOM 434 CD1 LEU A 29 19.861 -12.115 6.895 1.00 0.00 C ATOM 435 CD2 LEU A 29 19.054 -9.995 5.851 1.00 0.00 C ATOM 0 H LEU A 29 22.327 -10.126 4.544 1.00 0.00 H new ATOM 0 HA LEU A 29 20.665 -8.222 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 29 22.307 -10.721 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 29 21.133 -9.985 7.787 1.00 0.00 H new ATOM 0 HG LEU A 29 20.612 -11.259 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 29 19.062 -12.665 6.398 1.00 0.00 H new ATOM 0 HD12 LEU A 29 20.722 -12.769 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.512 -11.768 7.868 1.00 0.00 H new ATOM 0 HD21 LEU A 29 18.255 -10.544 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 29 18.705 -9.649 6.824 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.340 -9.137 5.242 1.00 0.00 H new ATOM 447 N ARG A 30 23.873 -8.231 6.630 1.00 0.00 N ATOM 448 CA ARG A 30 24.918 -7.441 7.338 1.00 0.00 C ATOM 449 C ARG A 30 24.968 -6.015 6.781 1.00 0.00 C ATOM 450 O ARG A 30 25.228 -5.067 7.494 1.00 0.00 O ATOM 451 CB ARG A 30 26.229 -8.176 7.056 1.00 0.00 C ATOM 452 CG ARG A 30 26.411 -9.305 8.072 1.00 0.00 C ATOM 453 CD ARG A 30 27.826 -9.247 8.652 1.00 0.00 C ATOM 454 NE ARG A 30 27.850 -10.289 9.716 1.00 0.00 N ATOM 455 CZ ARG A 30 27.901 -11.554 9.397 1.00 0.00 C ATOM 456 NH1 ARG A 30 27.930 -11.914 8.141 1.00 0.00 N ATOM 457 NH2 ARG A 30 27.923 -12.462 10.334 1.00 0.00 N ATOM 0 H ARG A 30 24.226 -8.975 6.028 1.00 0.00 H new ATOM 0 HA ARG A 30 24.721 -7.357 8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.220 -8.581 6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.067 -7.482 7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.675 -9.212 8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.242 -10.270 7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 30 28.575 -9.448 7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 30 28.045 -8.261 9.061 1.00 0.00 H new ATOM 0 HE ARG A 30 27.826 -10.013 10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 30 27.913 -11.206 7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 30 27.970 -12.903 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 30 27.900 -12.183 11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 30 27.963 -13.450 10.085 1.00 0.00 H new ATOM 471 N ARG A 31 24.730 -5.860 5.507 1.00 0.00 N ATOM 472 CA ARG A 31 24.773 -4.502 4.896 1.00 0.00 C ATOM 473 C ARG A 31 23.374 -3.874 4.867 1.00 0.00 C ATOM 474 O ARG A 31 23.227 -2.677 4.722 1.00 0.00 O ATOM 475 CB ARG A 31 25.282 -4.737 3.474 1.00 0.00 C ATOM 476 CG ARG A 31 26.625 -4.029 3.284 1.00 0.00 C ATOM 477 CD ARG A 31 27.442 -4.763 2.219 1.00 0.00 C ATOM 478 NE ARG A 31 27.134 -4.057 0.944 1.00 0.00 N ATOM 479 CZ ARG A 31 27.536 -2.829 0.760 1.00 0.00 C ATOM 480 NH1 ARG A 31 28.205 -2.210 1.696 1.00 0.00 N ATOM 481 NH2 ARG A 31 27.267 -2.216 -0.360 1.00 0.00 N ATOM 0 H ARG A 31 24.507 -6.618 4.862 1.00 0.00 H new ATOM 0 HA ARG A 31 25.408 -3.817 5.459 1.00 0.00 H new ATOM 0 HB2 ARG A 31 25.394 -5.805 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.557 -4.363 2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 31 26.463 -2.994 2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 31 27.173 -4.006 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 31 28.508 -4.725 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 31 27.165 -5.816 2.164 1.00 0.00 H new ATOM 0 HE ARG A 31 26.607 -4.535 0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 31 28.414 -2.686 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 31 28.518 -1.250 1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 31 26.743 -2.697 -1.091 1.00 0.00 H new ATOM 0 HH22 ARG A 31 27.581 -1.256 -0.504 1.00 0.00 H new ATOM 495 N GLU A 32 22.345 -4.668 4.994 1.00 0.00 N ATOM 496 CA GLU A 32 20.964 -4.102 4.963 1.00 0.00 C ATOM 497 C GLU A 32 20.411 -3.941 6.384 1.00 0.00 C ATOM 498 O GLU A 32 19.527 -3.143 6.627 1.00 0.00 O ATOM 499 CB GLU A 32 20.136 -5.120 4.177 1.00 0.00 C ATOM 500 CG GLU A 32 20.679 -5.226 2.750 1.00 0.00 C ATOM 501 CD GLU A 32 20.169 -4.046 1.921 1.00 0.00 C ATOM 502 OE1 GLU A 32 19.048 -4.121 1.445 1.00 0.00 O ATOM 503 OE2 GLU A 32 20.908 -3.087 1.774 1.00 0.00 O ATOM 0 H GLU A 32 22.399 -5.679 5.117 1.00 0.00 H new ATOM 0 HA GLU A 32 20.940 -3.113 4.506 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.177 -6.093 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 32 19.089 -4.816 4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 32 21.769 -5.230 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.362 -6.166 2.298 1.00 0.00 H new ATOM 510 N LEU A 33 20.918 -4.691 7.324 1.00 0.00 N ATOM 511 CA LEU A 33 20.417 -4.577 8.721 1.00 0.00 C ATOM 512 C LEU A 33 21.587 -4.385 9.685 1.00 0.00 C ATOM 513 O LEU A 33 22.631 -4.983 9.516 1.00 0.00 O ATOM 514 CB LEU A 33 19.722 -5.909 8.992 1.00 0.00 C ATOM 515 CG LEU A 33 18.208 -5.743 8.843 1.00 0.00 C ATOM 516 CD1 LEU A 33 17.568 -7.107 8.575 1.00 0.00 C ATOM 517 CD2 LEU A 33 17.628 -5.153 10.130 1.00 0.00 C ATOM 0 H LEU A 33 21.658 -5.378 7.184 1.00 0.00 H new ATOM 0 HA LEU A 33 19.749 -3.726 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 33 20.084 -6.667 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 33 19.962 -6.257 9.997 1.00 0.00 H new ATOM 0 HG LEU A 33 17.998 -5.073 8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 33 16.490 -6.988 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 33 17.979 -7.528 7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 33 17.779 -7.778 9.408 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.550 -5.035 10.023 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.839 -5.822 10.964 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.082 -4.181 10.321 1.00 0.00 H new ATOM 529 N PRO A 34 21.374 -3.560 10.674 1.00 0.00 N ATOM 530 CA PRO A 34 22.467 -3.336 11.655 1.00 0.00 C ATOM 531 C PRO A 34 23.112 -4.675 12.021 1.00 0.00 C ATOM 532 O PRO A 34 22.424 -5.627 12.331 1.00 0.00 O ATOM 533 CB PRO A 34 21.771 -2.716 12.866 1.00 0.00 C ATOM 534 CG PRO A 34 20.490 -2.158 12.342 1.00 0.00 C ATOM 535 CD PRO A 34 20.109 -2.975 11.138 1.00 0.00 C ATOM 0 HA PRO A 34 23.262 -2.696 11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 34 21.588 -3.462 13.639 1.00 0.00 H new ATOM 0 HB3 PRO A 34 22.385 -1.936 13.316 1.00 0.00 H new ATOM 0 HG2 PRO A 34 19.710 -2.206 13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 34 20.609 -1.108 12.073 1.00 0.00 H new ATOM 0 HD2 PRO A 34 19.385 -3.748 11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.652 -2.355 10.367 1.00 0.00 H new ATOM 543 N PRO A 35 24.418 -4.699 11.960 1.00 0.00 N ATOM 544 CA PRO A 35 25.150 -5.957 12.286 1.00 0.00 C ATOM 545 C PRO A 35 24.442 -6.727 13.405 1.00 0.00 C ATOM 546 O PRO A 35 24.368 -7.938 13.387 1.00 0.00 O ATOM 547 CB PRO A 35 26.527 -5.483 12.749 1.00 0.00 C ATOM 548 CG PRO A 35 26.677 -4.104 12.197 1.00 0.00 C ATOM 549 CD PRO A 35 25.295 -3.527 12.058 1.00 0.00 C ATOM 0 HA PRO A 35 25.204 -6.636 11.435 1.00 0.00 H new ATOM 0 HB2 PRO A 35 26.597 -5.481 13.837 1.00 0.00 H new ATOM 0 HB3 PRO A 35 27.314 -6.141 12.381 1.00 0.00 H new ATOM 0 HG2 PRO A 35 27.286 -3.489 12.859 1.00 0.00 H new ATOM 0 HG3 PRO A 35 27.182 -4.129 11.231 1.00 0.00 H new ATOM 0 HD2 PRO A 35 25.035 -2.907 12.916 1.00 0.00 H new ATOM 0 HD3 PRO A 35 25.215 -2.896 11.173 1.00 0.00 H new ATOM 557 N ASP A 36 23.927 -6.030 14.380 1.00 0.00 N ATOM 558 CA ASP A 36 23.227 -6.721 15.503 1.00 0.00 C ATOM 559 C ASP A 36 21.946 -7.406 15.012 1.00 0.00 C ATOM 560 O ASP A 36 21.652 -8.525 15.381 1.00 0.00 O ATOM 561 CB ASP A 36 22.890 -5.610 16.499 1.00 0.00 C ATOM 562 CG ASP A 36 23.996 -5.514 17.552 1.00 0.00 C ATOM 563 OD1 ASP A 36 25.154 -5.562 17.173 1.00 0.00 O ATOM 564 OD2 ASP A 36 23.665 -5.393 18.720 1.00 0.00 O ATOM 0 H ASP A 36 23.960 -5.013 14.449 1.00 0.00 H new ATOM 0 HA ASP A 36 23.844 -7.502 15.946 1.00 0.00 H new ATOM 0 HB2 ASP A 36 22.787 -4.659 15.977 1.00 0.00 H new ATOM 0 HB3 ASP A 36 21.933 -5.816 16.979 1.00 0.00 H new ATOM 569 N GLN A 37 21.173 -6.740 14.196 1.00 0.00 N ATOM 570 CA GLN A 37 19.906 -7.354 13.700 1.00 0.00 C ATOM 571 C GLN A 37 20.196 -8.500 12.728 1.00 0.00 C ATOM 572 O GLN A 37 19.559 -9.534 12.766 1.00 0.00 O ATOM 573 CB GLN A 37 19.173 -6.221 12.982 1.00 0.00 C ATOM 574 CG GLN A 37 18.040 -5.703 13.869 1.00 0.00 C ATOM 575 CD GLN A 37 18.626 -5.088 15.141 1.00 0.00 C ATOM 576 OE1 GLN A 37 19.770 -4.678 15.161 1.00 0.00 O ATOM 577 NE2 GLN A 37 17.885 -5.006 16.213 1.00 0.00 N ATOM 0 H GLN A 37 21.363 -5.799 13.852 1.00 0.00 H new ATOM 0 HA GLN A 37 19.318 -7.779 14.513 1.00 0.00 H new ATOM 0 HB2 GLN A 37 19.867 -5.413 12.752 1.00 0.00 H new ATOM 0 HB3 GLN A 37 18.772 -6.577 12.033 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.453 -4.959 13.330 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.363 -6.518 14.125 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.925 -5.350 16.197 1.00 0.00 H new ATOM 0 HE22 GLN A 37 18.266 -4.598 17.067 1.00 0.00 H new ATOM 586 N ALA A 38 21.143 -8.321 11.850 1.00 0.00 N ATOM 587 CA ALA A 38 21.461 -9.397 10.868 1.00 0.00 C ATOM 588 C ALA A 38 21.790 -10.706 11.589 1.00 0.00 C ATOM 589 O ALA A 38 21.318 -11.763 11.221 1.00 0.00 O ATOM 590 CB ALA A 38 22.681 -8.884 10.105 1.00 0.00 C ATOM 0 H ALA A 38 21.711 -7.477 11.769 1.00 0.00 H new ATOM 0 HA ALA A 38 20.621 -9.609 10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 38 22.980 -9.621 9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 38 22.432 -7.946 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 38 23.503 -8.719 10.802 1.00 0.00 H new ATOM 596 N GLN A 39 22.601 -10.649 12.607 1.00 0.00 N ATOM 597 CA GLN A 39 22.965 -11.896 13.340 1.00 0.00 C ATOM 598 C GLN A 39 21.707 -12.636 13.807 1.00 0.00 C ATOM 599 O GLN A 39 21.586 -13.834 13.645 1.00 0.00 O ATOM 600 CB GLN A 39 23.787 -11.425 14.540 1.00 0.00 C ATOM 601 CG GLN A 39 24.581 -12.603 15.108 1.00 0.00 C ATOM 602 CD GLN A 39 25.334 -12.156 16.364 1.00 0.00 C ATOM 603 OE1 GLN A 39 25.477 -10.975 16.610 1.00 0.00 O ATOM 604 NE2 GLN A 39 25.823 -13.056 17.173 1.00 0.00 N ATOM 0 H GLN A 39 23.028 -9.794 12.964 1.00 0.00 H new ATOM 0 HA GLN A 39 23.520 -12.592 12.711 1.00 0.00 H new ATOM 0 HB2 GLN A 39 24.465 -10.627 14.239 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.130 -11.013 15.306 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.908 -13.426 15.349 1.00 0.00 H new ATOM 0 HG3 GLN A 39 25.284 -12.974 14.363 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.702 -14.047 16.966 1.00 0.00 H new ATOM 0 HE22 GLN A 39 26.326 -12.768 18.013 1.00 0.00 H new ATOM 613 N TYR A 40 20.774 -11.938 14.392 1.00 0.00 N ATOM 614 CA TYR A 40 19.533 -12.610 14.873 1.00 0.00 C ATOM 615 C TYR A 40 18.756 -13.210 13.697 1.00 0.00 C ATOM 616 O TYR A 40 18.321 -14.343 13.743 1.00 0.00 O ATOM 617 CB TYR A 40 18.718 -11.504 15.544 1.00 0.00 C ATOM 618 CG TYR A 40 18.137 -12.023 16.838 1.00 0.00 C ATOM 619 CD1 TYR A 40 18.970 -12.633 17.785 1.00 0.00 C ATOM 620 CD2 TYR A 40 16.767 -11.893 17.091 1.00 0.00 C ATOM 621 CE1 TYR A 40 18.430 -13.113 18.985 1.00 0.00 C ATOM 622 CE2 TYR A 40 16.228 -12.374 18.291 1.00 0.00 C ATOM 623 CZ TYR A 40 17.060 -12.984 19.238 1.00 0.00 C ATOM 624 OH TYR A 40 16.529 -13.458 20.420 1.00 0.00 O ATOM 0 H TYR A 40 20.816 -10.932 14.558 1.00 0.00 H new ATOM 0 HA TYR A 40 19.751 -13.431 15.556 1.00 0.00 H new ATOM 0 HB2 TYR A 40 19.351 -10.638 15.738 1.00 0.00 H new ATOM 0 HB3 TYR A 40 17.919 -11.173 14.881 1.00 0.00 H new ATOM 0 HD1 TYR A 40 20.028 -12.733 17.590 1.00 0.00 H new ATOM 0 HD2 TYR A 40 16.125 -11.422 16.361 1.00 0.00 H new ATOM 0 HE1 TYR A 40 19.072 -13.583 19.716 1.00 0.00 H new ATOM 0 HE2 TYR A 40 15.170 -12.274 18.486 1.00 0.00 H new ATOM 0 HH TYR A 40 15.564 -13.288 20.437 1.00 0.00 H new ATOM 634 N CYS A 41 18.573 -12.459 12.646 1.00 0.00 N ATOM 635 CA CYS A 41 17.817 -12.990 11.474 1.00 0.00 C ATOM 636 C CYS A 41 18.576 -14.151 10.821 1.00 0.00 C ATOM 637 O CYS A 41 18.015 -15.192 10.544 1.00 0.00 O ATOM 638 CB CYS A 41 17.708 -11.810 10.507 1.00 0.00 C ATOM 639 SG CYS A 41 16.715 -10.498 11.262 1.00 0.00 S ATOM 0 H CYS A 41 18.913 -11.502 12.547 1.00 0.00 H new ATOM 0 HA CYS A 41 16.840 -13.379 11.761 1.00 0.00 H new ATOM 0 HB2 CYS A 41 18.701 -11.434 10.263 1.00 0.00 H new ATOM 0 HB3 CYS A 41 17.251 -12.134 9.572 1.00 0.00 H new ATOM 0 HG CYS A 41 17.470 -9.770 12.030 1.00 0.00 H new ATOM 645 N ILE A 42 19.844 -13.980 10.567 1.00 0.00 N ATOM 646 CA ILE A 42 20.633 -15.072 9.922 1.00 0.00 C ATOM 647 C ILE A 42 20.375 -16.415 10.615 1.00 0.00 C ATOM 648 O ILE A 42 20.426 -17.460 9.997 1.00 0.00 O ATOM 649 CB ILE A 42 22.093 -14.654 10.094 1.00 0.00 C ATOM 650 CG1 ILE A 42 22.370 -13.411 9.240 1.00 0.00 C ATOM 651 CG2 ILE A 42 23.009 -15.797 9.649 1.00 0.00 C ATOM 652 CD1 ILE A 42 22.459 -13.805 7.764 1.00 0.00 C ATOM 0 H ILE A 42 20.370 -13.132 10.778 1.00 0.00 H new ATOM 0 HA ILE A 42 20.361 -15.207 8.875 1.00 0.00 H new ATOM 0 HB ILE A 42 22.285 -14.425 11.142 1.00 0.00 H new ATOM 0 HG12 ILE A 42 21.577 -12.677 9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 42 23.301 -12.941 9.557 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.050 -15.498 9.772 1.00 0.00 H new ATOM 0 HG22 ILE A 42 22.811 -16.680 10.257 1.00 0.00 H new ATOM 0 HG23 ILE A 42 22.819 -16.028 8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 42 22.656 -12.918 7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 42 23.267 -14.523 7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.517 -14.255 7.450 1.00 0.00 H new ATOM 664 N LYS A 43 20.102 -16.399 11.890 1.00 0.00 N ATOM 665 CA LYS A 43 19.846 -17.681 12.612 1.00 0.00 C ATOM 666 C LYS A 43 18.380 -18.092 12.464 1.00 0.00 C ATOM 667 O LYS A 43 18.061 -19.259 12.349 1.00 0.00 O ATOM 668 CB LYS A 43 20.173 -17.385 14.076 1.00 0.00 C ATOM 669 CG LYS A 43 20.694 -18.657 14.751 1.00 0.00 C ATOM 670 CD LYS A 43 20.137 -18.746 16.174 1.00 0.00 C ATOM 671 CE LYS A 43 20.483 -20.111 16.772 1.00 0.00 C ATOM 672 NZ LYS A 43 19.427 -20.361 17.792 1.00 0.00 N ATOM 0 H LYS A 43 20.045 -15.557 12.464 1.00 0.00 H new ATOM 0 HA LYS A 43 20.446 -18.501 12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.921 -16.594 14.140 1.00 0.00 H new ATOM 0 HB3 LYS A 43 19.283 -17.025 14.593 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.396 -19.534 14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.784 -18.648 14.776 1.00 0.00 H new ATOM 0 HD2 LYS A 43 20.555 -17.950 16.790 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.056 -18.605 16.163 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.486 -20.888 16.008 1.00 0.00 H new ATOM 0 HE3 LYS A 43 21.475 -20.105 17.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.595 -21.281 18.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.453 -19.609 18.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.494 -20.368 17.332 1.00 0.00 H new ATOM 686 N ARG A 44 17.487 -17.142 12.467 1.00 0.00 N ATOM 687 CA ARG A 44 16.042 -17.476 12.331 1.00 0.00 C ATOM 688 C ARG A 44 15.787 -18.196 11.006 1.00 0.00 C ATOM 689 O ARG A 44 15.553 -19.387 10.970 1.00 0.00 O ATOM 690 CB ARG A 44 15.325 -16.126 12.358 1.00 0.00 C ATOM 691 CG ARG A 44 15.202 -15.647 13.807 1.00 0.00 C ATOM 692 CD ARG A 44 14.331 -16.629 14.594 1.00 0.00 C ATOM 693 NE ARG A 44 15.293 -17.445 15.386 1.00 0.00 N ATOM 694 CZ ARG A 44 15.804 -16.972 16.492 1.00 0.00 C ATOM 695 NH1 ARG A 44 15.478 -15.779 16.910 1.00 0.00 N ATOM 696 NH2 ARG A 44 16.645 -17.694 17.180 1.00 0.00 N ATOM 0 H ARG A 44 17.696 -16.148 12.558 1.00 0.00 H new ATOM 0 HA ARG A 44 15.693 -18.140 13.121 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.878 -15.396 11.767 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.336 -16.217 11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 44 16.190 -15.574 14.263 1.00 0.00 H new ATOM 0 HG3 ARG A 44 14.763 -14.650 13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.631 -16.103 15.243 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.739 -17.254 13.926 1.00 0.00 H new ATOM 0 HE ARG A 44 15.554 -18.377 15.064 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.822 -15.212 16.373 1.00 0.00 H new ATOM 0 HH12 ARG A 44 15.879 -15.414 17.774 1.00 0.00 H new ATOM 0 HH21 ARG A 44 16.903 -18.626 16.854 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.045 -17.327 18.043 1.00 0.00 H new ATOM 710 N MET A 45 15.829 -17.482 9.915 1.00 0.00 N ATOM 711 CA MET A 45 15.587 -18.129 8.597 1.00 0.00 C ATOM 712 C MET A 45 16.572 -19.281 8.382 1.00 0.00 C ATOM 713 O MET A 45 17.738 -19.174 8.707 1.00 0.00 O ATOM 714 CB MET A 45 15.809 -17.023 7.565 1.00 0.00 C ATOM 715 CG MET A 45 17.179 -16.374 7.776 1.00 0.00 C ATOM 716 SD MET A 45 17.474 -15.163 6.464 1.00 0.00 S ATOM 717 CE MET A 45 16.213 -13.965 6.968 1.00 0.00 C ATOM 0 H MET A 45 16.020 -16.481 9.880 1.00 0.00 H new ATOM 0 HA MET A 45 14.587 -18.556 8.523 1.00 0.00 H new ATOM 0 HB2 MET A 45 15.745 -17.436 6.558 1.00 0.00 H new ATOM 0 HB3 MET A 45 15.025 -16.271 7.652 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.218 -15.888 8.751 1.00 0.00 H new ATOM 0 HG3 MET A 45 17.960 -17.134 7.767 1.00 0.00 H new ATOM 0 HE1 MET A 45 16.268 -13.087 6.325 1.00 0.00 H new ATOM 0 HE2 MET A 45 15.225 -14.418 6.880 1.00 0.00 H new ATOM 0 HE3 MET A 45 16.386 -13.668 8.003 1.00 0.00 H new ATOM 727 N PRO A 46 16.061 -20.354 7.841 1.00 0.00 N ATOM 728 CA PRO A 46 16.937 -21.531 7.596 1.00 0.00 C ATOM 729 C PRO A 46 17.603 -21.427 6.221 1.00 0.00 C ATOM 730 O PRO A 46 17.536 -20.407 5.563 1.00 0.00 O ATOM 731 CB PRO A 46 15.987 -22.729 7.644 1.00 0.00 C ATOM 732 CG PRO A 46 14.623 -22.161 7.430 1.00 0.00 C ATOM 733 CD PRO A 46 14.648 -20.745 7.932 1.00 0.00 C ATOM 0 HA PRO A 46 17.743 -21.610 8.326 1.00 0.00 H new ATOM 0 HB2 PRO A 46 16.235 -23.458 6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 46 16.052 -23.244 8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.355 -22.190 6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.874 -22.746 7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.016 -20.096 7.326 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.282 -20.679 8.957 1.00 0.00 H new ATOM 741 N ALA A 47 18.245 -22.475 5.781 1.00 0.00 N ATOM 742 CA ALA A 47 18.914 -22.437 4.449 1.00 0.00 C ATOM 743 C ALA A 47 17.877 -22.585 3.333 1.00 0.00 C ATOM 744 O ALA A 47 17.034 -23.459 3.367 1.00 0.00 O ATOM 745 CB ALA A 47 19.871 -23.630 4.452 1.00 0.00 C ATOM 0 H ALA A 47 18.335 -23.356 6.287 1.00 0.00 H new ATOM 0 HA ALA A 47 19.436 -21.496 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 47 20.403 -23.672 3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 47 20.588 -23.519 5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 47 19.304 -24.551 4.591 1.00 0.00 H new ATOM 751 N TYR A 48 17.934 -21.737 2.343 1.00 0.00 N ATOM 752 CA TYR A 48 16.954 -21.828 1.223 1.00 0.00 C ATOM 753 C TYR A 48 17.262 -23.048 0.350 1.00 0.00 C ATOM 754 O TYR A 48 18.051 -22.980 -0.570 1.00 0.00 O ATOM 755 CB TYR A 48 17.148 -20.537 0.428 1.00 0.00 C ATOM 756 CG TYR A 48 16.394 -20.629 -0.877 1.00 0.00 C ATOM 757 CD1 TYR A 48 15.028 -20.938 -0.877 1.00 0.00 C ATOM 758 CD2 TYR A 48 17.060 -20.404 -2.087 1.00 0.00 C ATOM 759 CE1 TYR A 48 14.330 -21.023 -2.087 1.00 0.00 C ATOM 760 CE2 TYR A 48 16.362 -20.490 -3.297 1.00 0.00 C ATOM 761 CZ TYR A 48 14.997 -20.800 -3.298 1.00 0.00 C ATOM 762 OH TYR A 48 14.308 -20.883 -4.491 1.00 0.00 O ATOM 0 H TYR A 48 18.617 -20.984 2.261 1.00 0.00 H new ATOM 0 HA TYR A 48 15.929 -21.941 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 48 16.792 -19.685 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 48 18.208 -20.372 0.236 1.00 0.00 H new ATOM 0 HD1 TYR A 48 14.513 -21.111 0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 48 18.113 -20.164 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.276 -21.261 -2.087 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.877 -20.317 -4.231 1.00 0.00 H new ATOM 0 HH TYR A 48 14.919 -20.700 -5.235 1.00 0.00 H new ATOM 772 N SER A 49 16.646 -24.163 0.631 1.00 0.00 N ATOM 773 CA SER A 49 16.908 -25.384 -0.184 1.00 0.00 C ATOM 774 C SER A 49 15.741 -25.646 -1.142 1.00 0.00 C ATOM 775 O SER A 49 14.957 -26.554 -0.947 1.00 0.00 O ATOM 776 CB SER A 49 17.035 -26.519 0.832 1.00 0.00 C ATOM 777 OG SER A 49 18.371 -27.003 0.831 1.00 0.00 O ATOM 0 H SER A 49 15.973 -24.282 1.388 1.00 0.00 H new ATOM 0 HA SER A 49 17.803 -25.285 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.765 -26.164 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.344 -27.324 0.583 1.00 0.00 H new ATOM 0 HG SER A 49 18.456 -27.730 1.483 1.00 0.00 H new ATOM 783 N GLY A 50 15.620 -24.858 -2.176 1.00 0.00 N ATOM 784 CA GLY A 50 14.505 -25.063 -3.145 1.00 0.00 C ATOM 785 C GLY A 50 15.034 -25.779 -4.388 1.00 0.00 C ATOM 786 O GLY A 50 16.090 -26.381 -4.358 1.00 0.00 O ATOM 0 H GLY A 50 16.245 -24.081 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.712 -25.651 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.070 -24.103 -3.423 1.00 0.00 H new ATOM 790 N PRO A 51 14.277 -25.688 -5.449 1.00 0.00 N ATOM 791 CA PRO A 51 14.714 -26.354 -6.707 1.00 0.00 C ATOM 792 C PRO A 51 15.944 -25.646 -7.280 1.00 0.00 C ATOM 793 O PRO A 51 15.923 -25.138 -8.384 1.00 0.00 O ATOM 794 CB PRO A 51 13.521 -26.214 -7.652 1.00 0.00 C ATOM 795 CG PRO A 51 12.667 -25.140 -7.061 1.00 0.00 C ATOM 796 CD PRO A 51 12.923 -25.138 -5.581 1.00 0.00 C ATOM 0 HA PRO A 51 14.995 -27.396 -6.553 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.846 -25.948 -8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.972 -27.152 -7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.911 -24.171 -7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.614 -25.327 -7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.860 -24.132 -5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.192 -25.747 -5.050 1.00 0.00 H new ATOM 804 N GLY A 52 17.017 -25.606 -6.536 1.00 0.00 N ATOM 805 CA GLY A 52 18.248 -24.930 -7.036 1.00 0.00 C ATOM 806 C GLY A 52 18.879 -24.122 -5.902 1.00 0.00 C ATOM 807 O GLY A 52 19.748 -24.597 -5.197 1.00 0.00 O ATOM 0 H GLY A 52 17.094 -26.012 -5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.957 -25.670 -7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.003 -24.275 -7.872 1.00 0.00 H new ATOM 811 N SER A 53 18.452 -22.902 -5.721 1.00 0.00 N ATOM 812 CA SER A 53 19.024 -22.064 -4.638 1.00 0.00 C ATOM 813 C SER A 53 20.537 -21.966 -4.790 1.00 0.00 C ATOM 814 O SER A 53 21.124 -22.514 -5.702 1.00 0.00 O ATOM 815 CB SER A 53 18.665 -22.781 -3.340 1.00 0.00 C ATOM 816 OG SER A 53 19.461 -22.259 -2.283 1.00 0.00 O ATOM 0 H SER A 53 17.728 -22.451 -6.281 1.00 0.00 H new ATOM 0 HA SER A 53 18.634 -21.047 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 53 17.607 -22.645 -3.116 1.00 0.00 H new ATOM 0 HB3 SER A 53 18.834 -23.853 -3.444 1.00 0.00 H new ATOM 0 HG SER A 53 18.883 -22.000 -1.535 1.00 0.00 H new ATOM 822 N VAL A 54 21.164 -21.272 -3.896 1.00 0.00 N ATOM 823 CA VAL A 54 22.646 -21.123 -3.959 1.00 0.00 C ATOM 824 C VAL A 54 23.248 -21.249 -2.557 1.00 0.00 C ATOM 825 O VAL A 54 22.589 -20.979 -1.573 1.00 0.00 O ATOM 826 CB VAL A 54 22.880 -19.720 -4.520 1.00 0.00 C ATOM 827 CG1 VAL A 54 22.301 -19.633 -5.933 1.00 0.00 C ATOM 828 CG2 VAL A 54 22.188 -18.692 -3.622 1.00 0.00 C ATOM 0 H VAL A 54 20.716 -20.794 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 54 23.113 -21.890 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 54 23.950 -19.514 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 54 22.467 -18.633 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 54 22.791 -20.366 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 54 21.231 -19.837 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 54 22.354 -17.691 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 54 21.118 -18.898 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 54 22.599 -18.754 -2.614 1.00 0.00 H new ATOM 838 N PRO A 55 24.486 -21.660 -2.519 1.00 0.00 N ATOM 839 CA PRO A 55 25.156 -21.815 -1.200 1.00 0.00 C ATOM 840 C PRO A 55 25.179 -20.477 -0.455 1.00 0.00 C ATOM 841 O PRO A 55 25.764 -19.513 -0.909 1.00 0.00 O ATOM 842 CB PRO A 55 26.576 -22.266 -1.543 1.00 0.00 C ATOM 843 CG PRO A 55 26.767 -21.917 -2.983 1.00 0.00 C ATOM 844 CD PRO A 55 25.409 -21.938 -3.624 1.00 0.00 C ATOM 0 HA PRO A 55 24.643 -22.525 -0.551 1.00 0.00 H new ATOM 0 HB2 PRO A 55 27.311 -21.761 -0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 55 26.699 -23.337 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 55 27.226 -20.933 -3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 55 27.433 -22.631 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 55 25.328 -21.187 -4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 55 25.200 -22.904 -4.084 1.00 0.00 H new ATOM 852 N GLY A 56 24.546 -20.411 0.685 1.00 0.00 N ATOM 853 CA GLY A 56 24.532 -19.136 1.457 1.00 0.00 C ATOM 854 C GLY A 56 23.172 -18.456 1.294 1.00 0.00 C ATOM 855 O GLY A 56 23.022 -17.278 1.549 1.00 0.00 O ATOM 0 H GLY A 56 24.038 -21.184 1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 56 24.727 -19.334 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 56 25.325 -18.476 1.105 1.00 0.00 H new ATOM 859 N ALA A 57 22.178 -19.187 0.869 1.00 0.00 N ATOM 860 CA ALA A 57 20.829 -18.580 0.690 1.00 0.00 C ATOM 861 C ALA A 57 19.915 -18.963 1.855 1.00 0.00 C ATOM 862 O ALA A 57 19.735 -20.125 2.160 1.00 0.00 O ATOM 863 CB ALA A 57 20.302 -19.166 -0.620 1.00 0.00 C ATOM 0 H ALA A 57 22.242 -20.178 0.638 1.00 0.00 H new ATOM 0 HA ALA A 57 20.868 -17.491 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 57 19.308 -18.767 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 57 20.975 -18.898 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 57 20.247 -20.251 -0.537 1.00 0.00 H new ATOM 869 N LEU A 58 19.333 -17.993 2.506 1.00 0.00 N ATOM 870 CA LEU A 58 18.425 -18.299 3.648 1.00 0.00 C ATOM 871 C LEU A 58 16.998 -17.868 3.303 1.00 0.00 C ATOM 872 O LEU A 58 16.783 -17.052 2.429 1.00 0.00 O ATOM 873 CB LEU A 58 18.966 -17.473 4.816 1.00 0.00 C ATOM 874 CG LEU A 58 20.442 -17.809 5.036 1.00 0.00 C ATOM 875 CD1 LEU A 58 21.293 -16.567 4.767 1.00 0.00 C ATOM 876 CD2 LEU A 58 20.649 -18.264 6.482 1.00 0.00 C ATOM 0 H LEU A 58 19.447 -17.001 2.296 1.00 0.00 H new ATOM 0 HA LEU A 58 18.394 -19.363 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 58 18.851 -16.409 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 58 18.395 -17.684 5.720 1.00 0.00 H new ATOM 0 HG LEU A 58 20.739 -18.607 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.345 -16.806 4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.144 -16.240 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.997 -15.769 5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 58 21.700 -18.504 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 58 20.353 -17.464 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.042 -19.148 6.676 1.00 0.00 H new ATOM 888 N ASP A 59 16.018 -18.406 3.977 1.00 0.00 N ATOM 889 CA ASP A 59 14.613 -18.015 3.671 1.00 0.00 C ATOM 890 C ASP A 59 14.039 -17.153 4.799 1.00 0.00 C ATOM 891 O ASP A 59 13.794 -17.623 5.892 1.00 0.00 O ATOM 892 CB ASP A 59 13.850 -19.336 3.564 1.00 0.00 C ATOM 893 CG ASP A 59 13.725 -19.736 2.093 1.00 0.00 C ATOM 894 OD1 ASP A 59 14.420 -19.150 1.278 1.00 0.00 O ATOM 895 OD2 ASP A 59 12.937 -20.622 1.806 1.00 0.00 O ATOM 0 H ASP A 59 16.128 -19.095 4.721 1.00 0.00 H new ATOM 0 HA ASP A 59 14.541 -17.425 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.371 -20.115 4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.860 -19.234 4.009 1.00 0.00 H new ATOM 900 N TYR A 60 13.819 -15.894 4.537 1.00 0.00 N ATOM 901 CA TYR A 60 13.254 -14.998 5.587 1.00 0.00 C ATOM 902 C TYR A 60 11.772 -15.307 5.801 1.00 0.00 C ATOM 903 O TYR A 60 11.228 -15.085 6.865 1.00 0.00 O ATOM 904 CB TYR A 60 13.425 -13.580 5.037 1.00 0.00 C ATOM 905 CG TYR A 60 12.884 -13.516 3.628 1.00 0.00 C ATOM 906 CD1 TYR A 60 11.502 -13.487 3.408 1.00 0.00 C ATOM 907 CD2 TYR A 60 13.766 -13.486 2.541 1.00 0.00 C ATOM 908 CE1 TYR A 60 11.002 -13.428 2.101 1.00 0.00 C ATOM 909 CE2 TYR A 60 13.267 -13.428 1.235 1.00 0.00 C ATOM 910 CZ TYR A 60 11.884 -13.399 1.014 1.00 0.00 C ATOM 911 OH TYR A 60 11.393 -13.343 -0.274 1.00 0.00 O ATOM 0 H TYR A 60 14.006 -15.446 3.640 1.00 0.00 H new ATOM 0 HA TYR A 60 13.752 -15.127 6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.900 -12.867 5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.478 -13.300 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.821 -13.510 4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 60 14.832 -13.508 2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.936 -13.405 1.932 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.948 -13.406 0.397 1.00 0.00 H new ATOM 0 HH TYR A 60 12.140 -13.296 -0.907 1.00 0.00 H new ATOM 921 N ALA A 61 11.114 -15.818 4.798 1.00 0.00 N ATOM 922 CA ALA A 61 9.667 -16.140 4.945 1.00 0.00 C ATOM 923 C ALA A 61 9.460 -17.088 6.127 1.00 0.00 C ATOM 924 O ALA A 61 8.485 -16.996 6.846 1.00 0.00 O ATOM 925 CB ALA A 61 9.276 -16.821 3.634 1.00 0.00 C ATOM 0 H ALA A 61 11.515 -16.026 3.884 1.00 0.00 H new ATOM 0 HA ALA A 61 9.062 -15.254 5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.220 -17.090 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.453 -16.139 2.803 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.876 -17.721 3.499 1.00 0.00 H new ATOM 931 N ALA A 62 10.373 -17.995 6.338 1.00 0.00 N ATOM 932 CA ALA A 62 10.228 -18.940 7.480 1.00 0.00 C ATOM 933 C ALA A 62 10.377 -18.187 8.799 1.00 0.00 C ATOM 934 O ALA A 62 9.740 -18.500 9.785 1.00 0.00 O ATOM 935 CB ALA A 62 11.358 -19.956 7.307 1.00 0.00 C ATOM 0 H ALA A 62 11.211 -18.122 5.771 1.00 0.00 H new ATOM 0 HA ALA A 62 9.252 -19.425 7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.316 -20.687 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.246 -20.465 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.318 -19.441 7.334 1.00 0.00 H new ATOM 941 N PHE A 63 11.212 -17.193 8.816 1.00 0.00 N ATOM 942 CA PHE A 63 11.411 -16.403 10.064 1.00 0.00 C ATOM 943 C PHE A 63 10.181 -15.534 10.343 1.00 0.00 C ATOM 944 O PHE A 63 9.825 -15.293 11.479 1.00 0.00 O ATOM 945 CB PHE A 63 12.636 -15.528 9.787 1.00 0.00 C ATOM 946 CG PHE A 63 12.847 -14.569 10.935 1.00 0.00 C ATOM 947 CD1 PHE A 63 12.380 -14.893 12.216 1.00 0.00 C ATOM 948 CD2 PHE A 63 13.512 -13.357 10.720 1.00 0.00 C ATOM 949 CE1 PHE A 63 12.577 -14.004 13.279 1.00 0.00 C ATOM 950 CE2 PHE A 63 13.710 -12.468 11.783 1.00 0.00 C ATOM 951 CZ PHE A 63 13.242 -12.791 13.062 1.00 0.00 C ATOM 0 H PHE A 63 11.770 -16.889 8.018 1.00 0.00 H new ATOM 0 HA PHE A 63 11.553 -17.039 10.938 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.519 -16.153 9.656 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.497 -14.974 8.859 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.868 -15.829 12.383 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.873 -13.107 9.733 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.216 -14.253 14.266 1.00 0.00 H new ATOM 0 HE2 PHE A 63 14.224 -11.533 11.616 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.394 -12.104 13.882 1.00 0.00 H new ATOM 961 N SER A 64 9.531 -15.062 9.314 1.00 0.00 N ATOM 962 CA SER A 64 8.325 -14.207 9.521 1.00 0.00 C ATOM 963 C SER A 64 7.269 -14.962 10.333 1.00 0.00 C ATOM 964 O SER A 64 6.721 -14.448 11.287 1.00 0.00 O ATOM 965 CB SER A 64 7.808 -13.909 8.115 1.00 0.00 C ATOM 966 OG SER A 64 6.905 -14.935 7.719 1.00 0.00 O ATOM 0 H SER A 64 9.782 -15.231 8.340 1.00 0.00 H new ATOM 0 HA SER A 64 8.555 -13.296 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.307 -12.941 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.640 -13.851 7.414 1.00 0.00 H new ATOM 0 HG SER A 64 7.411 -15.731 7.452 1.00 0.00 H new ATOM 972 N SER A 65 6.978 -16.179 9.960 1.00 0.00 N ATOM 973 CA SER A 65 5.955 -16.965 10.709 1.00 0.00 C ATOM 974 C SER A 65 6.472 -17.315 12.107 1.00 0.00 C ATOM 975 O SER A 65 5.735 -17.300 13.073 1.00 0.00 O ATOM 976 CB SER A 65 5.750 -18.232 9.880 1.00 0.00 C ATOM 977 OG SER A 65 5.211 -19.253 10.709 1.00 0.00 O ATOM 0 H SER A 65 7.404 -16.663 9.170 1.00 0.00 H new ATOM 0 HA SER A 65 5.027 -16.411 10.846 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.076 -18.030 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.698 -18.558 9.452 1.00 0.00 H new ATOM 0 HG SER A 65 5.077 -20.067 10.180 1.00 0.00 H new ATOM 983 N ALA A 66 7.732 -17.635 12.222 1.00 0.00 N ATOM 984 CA ALA A 66 8.293 -17.988 13.558 1.00 0.00 C ATOM 985 C ALA A 66 8.274 -16.767 14.484 1.00 0.00 C ATOM 986 O ALA A 66 8.141 -16.891 15.686 1.00 0.00 O ATOM 987 CB ALA A 66 9.729 -18.429 13.280 1.00 0.00 C ATOM 0 H ALA A 66 8.397 -17.667 11.449 1.00 0.00 H new ATOM 0 HA ALA A 66 7.715 -18.768 14.054 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.212 -18.706 14.217 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.722 -19.287 12.607 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.278 -17.609 12.817 1.00 0.00 H new ATOM 993 N LEU A 67 8.409 -15.591 13.936 1.00 0.00 N ATOM 994 CA LEU A 67 8.402 -14.367 14.789 1.00 0.00 C ATOM 995 C LEU A 67 7.005 -14.131 15.369 1.00 0.00 C ATOM 996 O LEU A 67 6.851 -13.809 16.530 1.00 0.00 O ATOM 997 CB LEU A 67 8.792 -13.227 13.848 1.00 0.00 C ATOM 998 CG LEU A 67 9.964 -12.448 14.448 1.00 0.00 C ATOM 999 CD1 LEU A 67 10.451 -11.403 13.443 1.00 0.00 C ATOM 1000 CD2 LEU A 67 9.506 -11.748 15.730 1.00 0.00 C ATOM 0 H LEU A 67 8.524 -15.424 12.936 1.00 0.00 H new ATOM 0 HA LEU A 67 9.085 -14.450 15.635 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.068 -13.626 12.872 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.942 -12.563 13.692 1.00 0.00 H new ATOM 0 HG LEU A 67 10.778 -13.136 14.679 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.286 -10.848 13.871 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.776 -11.901 12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.638 -10.714 13.212 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.340 -11.192 16.159 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.693 -11.060 15.498 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.159 -12.492 16.447 1.00 0.00 H new ATOM 1012 N TYR A 68 5.985 -14.287 14.570 1.00 0.00 N ATOM 1013 CA TYR A 68 4.600 -14.070 15.080 1.00 0.00 C ATOM 1014 C TYR A 68 4.012 -15.387 15.592 1.00 0.00 C ATOM 1015 O TYR A 68 3.135 -15.400 16.434 1.00 0.00 O ATOM 1016 CB TYR A 68 3.810 -13.562 13.873 1.00 0.00 C ATOM 1017 CG TYR A 68 4.018 -12.074 13.726 1.00 0.00 C ATOM 1018 CD1 TYR A 68 3.174 -11.180 14.396 1.00 0.00 C ATOM 1019 CD2 TYR A 68 5.056 -11.588 12.922 1.00 0.00 C ATOM 1020 CE1 TYR A 68 3.367 -9.801 14.260 1.00 0.00 C ATOM 1021 CE2 TYR A 68 5.249 -10.209 12.786 1.00 0.00 C ATOM 1022 CZ TYR A 68 4.405 -9.315 13.456 1.00 0.00 C ATOM 1023 OH TYR A 68 4.596 -7.955 13.323 1.00 0.00 O ATOM 0 H TYR A 68 6.050 -14.555 13.588 1.00 0.00 H new ATOM 0 HA TYR A 68 4.571 -13.366 15.912 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.136 -14.077 12.969 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.750 -13.781 14.000 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.374 -11.555 15.018 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.708 -12.278 12.407 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.715 -9.111 14.775 1.00 0.00 H new ATOM 0 HE2 TYR A 68 6.049 -9.834 12.164 1.00 0.00 H new ATOM 0 HH TYR A 68 5.359 -7.788 12.731 1.00 0.00 H new ATOM 1033 N GLY A 69 4.486 -16.494 15.091 1.00 0.00 N ATOM 1034 CA GLY A 69 3.952 -17.808 15.551 1.00 0.00 C ATOM 1035 C GLY A 69 2.485 -17.938 15.139 1.00 0.00 C ATOM 1036 O GLY A 69 1.621 -17.265 15.664 1.00 0.00 O ATOM 0 H GLY A 69 5.219 -16.546 14.384 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.535 -18.621 15.118 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.045 -17.891 16.634 1.00 0.00 H new ATOM 1040 N GLU A 70 2.196 -18.800 14.203 1.00 0.00 N ATOM 1041 CA GLU A 70 0.783 -18.974 13.760 1.00 0.00 C ATOM 1042 C GLU A 70 0.586 -20.365 13.154 1.00 0.00 C ATOM 1043 O GLU A 70 0.045 -20.513 12.076 1.00 0.00 O ATOM 1044 CB GLU A 70 0.563 -17.892 12.703 1.00 0.00 C ATOM 1045 CG GLU A 70 -0.928 -17.792 12.374 1.00 0.00 C ATOM 1046 CD GLU A 70 -1.614 -16.868 13.383 1.00 0.00 C ATOM 1047 OE1 GLU A 70 -1.184 -16.846 14.524 1.00 0.00 O ATOM 1048 OE2 GLU A 70 -2.557 -16.198 12.996 1.00 0.00 O ATOM 0 H GLU A 70 2.877 -19.391 13.726 1.00 0.00 H new ATOM 0 HA GLU A 70 0.078 -18.886 14.586 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.930 -16.933 13.068 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.129 -18.129 11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.063 -17.408 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.384 -18.781 12.402 1.00 0.00 H new ATOM 1055 N SER A 71 1.020 -21.388 13.838 1.00 0.00 N ATOM 1056 CA SER A 71 0.858 -22.769 13.300 1.00 0.00 C ATOM 1057 C SER A 71 1.693 -22.942 12.030 1.00 0.00 C ATOM 1058 O SER A 71 1.348 -22.446 10.976 1.00 0.00 O ATOM 1059 CB SER A 71 -0.632 -22.899 12.985 1.00 0.00 C ATOM 1060 OG SER A 71 -1.377 -22.130 13.920 1.00 0.00 O ATOM 0 H SER A 71 1.480 -21.328 14.746 1.00 0.00 H new ATOM 0 HA SER A 71 1.193 -23.530 14.006 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.833 -22.554 11.971 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.936 -23.945 13.032 1.00 0.00 H new ATOM 0 HG SER A 71 -2.333 -22.209 13.721 1.00 0.00 H new ATOM 1066 N ASP A 72 2.791 -23.641 12.122 1.00 0.00 N ATOM 1067 CA ASP A 72 3.647 -23.843 10.918 1.00 0.00 C ATOM 1068 C ASP A 72 2.868 -24.593 9.833 1.00 0.00 C ATOM 1069 O ASP A 72 2.502 -25.740 9.997 1.00 0.00 O ATOM 1070 CB ASP A 72 4.826 -24.685 11.408 1.00 0.00 C ATOM 1071 CG ASP A 72 4.304 -25.982 12.028 1.00 0.00 C ATOM 1072 OD1 ASP A 72 4.019 -25.977 13.214 1.00 0.00 O ATOM 1073 OD2 ASP A 72 4.197 -26.960 11.305 1.00 0.00 O ATOM 0 H ASP A 72 3.132 -24.080 12.977 1.00 0.00 H new ATOM 0 HA ASP A 72 3.972 -22.899 10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.496 -24.910 10.578 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.406 -24.126 12.143 1.00 0.00 H new ATOM 1078 N LEU A 73 2.610 -23.952 8.727 1.00 0.00 N ATOM 1079 CA LEU A 73 1.855 -24.627 7.633 1.00 0.00 C ATOM 1080 C LEU A 73 2.579 -25.903 7.199 1.00 0.00 C ATOM 1081 O LEU A 73 3.589 -26.278 7.762 1.00 0.00 O ATOM 1082 CB LEU A 73 1.824 -23.612 6.490 1.00 0.00 C ATOM 1083 CG LEU A 73 3.253 -23.310 6.036 1.00 0.00 C ATOM 1084 CD1 LEU A 73 3.373 -23.555 4.531 1.00 0.00 C ATOM 1085 CD2 LEU A 73 3.583 -21.847 6.341 1.00 0.00 C ATOM 0 H LEU A 73 2.889 -22.990 8.533 1.00 0.00 H new ATOM 0 HA LEU A 73 0.853 -24.922 7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.242 -24.005 5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.334 -22.695 6.817 1.00 0.00 H new ATOM 0 HG LEU A 73 3.949 -23.960 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.391 -23.340 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.135 -24.596 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.678 -22.904 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.601 -21.629 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.887 -21.198 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.496 -21.670 7.413 1.00 0.00 H new TER 1097 LEU A 73 ATOM 1098 N GLY B 7 11.736 6.805 -0.776 1.00 0.00 N ATOM 1099 CA GLY B 7 12.450 5.936 0.201 1.00 0.00 C ATOM 1100 C GLY B 7 11.720 4.598 0.325 1.00 0.00 C ATOM 1101 O GLY B 7 10.785 4.457 1.088 1.00 0.00 O ATOM 0 HA2 GLY B 7 13.477 5.773 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY B 7 12.498 6.427 1.173 1.00 0.00 H new ATOM 1105 N LYS B 8 12.139 3.612 -0.421 1.00 0.00 N ATOM 1106 CA LYS B 8 11.467 2.282 -0.345 1.00 0.00 C ATOM 1107 C LYS B 8 12.366 1.275 0.378 1.00 0.00 C ATOM 1108 O LYS B 8 11.954 0.625 1.317 1.00 0.00 O ATOM 1109 CB LYS B 8 11.254 1.863 -1.800 1.00 0.00 C ATOM 1110 CG LYS B 8 9.911 1.144 -1.933 1.00 0.00 C ATOM 1111 CD LYS B 8 8.775 2.164 -1.853 1.00 0.00 C ATOM 1112 CE LYS B 8 7.586 1.551 -1.109 1.00 0.00 C ATOM 1113 NZ LYS B 8 6.976 2.686 -0.359 1.00 0.00 N ATOM 0 H LYS B 8 12.916 3.669 -1.079 1.00 0.00 H new ATOM 0 HA LYS B 8 10.529 2.324 0.209 1.00 0.00 H new ATOM 0 HB2 LYS B 8 11.275 2.739 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS B 8 12.063 1.208 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.866 0.608 -2.881 1.00 0.00 H new ATOM 0 HG3 LYS B 8 9.804 0.402 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.115 3.062 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS B 8 8.473 2.466 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS B 8 6.872 1.107 -1.803 1.00 0.00 H new ATOM 0 HE3 LYS B 8 7.909 0.759 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 6.153 2.345 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 7.677 3.084 0.298 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 6.672 3.421 -1.029 1.00 0.00 H new ATOM 1127 N LYS B 9 13.592 1.141 -0.051 1.00 0.00 N ATOM 1128 CA LYS B 9 14.514 0.177 0.614 1.00 0.00 C ATOM 1129 C LYS B 9 14.653 0.521 2.099 1.00 0.00 C ATOM 1130 O LYS B 9 14.560 -0.334 2.958 1.00 0.00 O ATOM 1131 CB LYS B 9 15.853 0.347 -0.103 1.00 0.00 C ATOM 1132 CG LYS B 9 16.682 -0.929 0.053 1.00 0.00 C ATOM 1133 CD LYS B 9 18.165 -0.566 0.148 1.00 0.00 C ATOM 1134 CE LYS B 9 18.517 -0.230 1.598 1.00 0.00 C ATOM 1135 NZ LYS B 9 19.997 -0.069 1.605 1.00 0.00 N ATOM 0 H LYS B 9 13.995 1.657 -0.833 1.00 0.00 H new ATOM 0 HA LYS B 9 14.150 -0.849 0.557 1.00 0.00 H new ATOM 0 HB2 LYS B 9 15.687 0.559 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS B 9 16.394 1.198 0.312 1.00 0.00 H new ATOM 0 HG2 LYS B 9 16.371 -1.470 0.947 1.00 0.00 H new ATOM 0 HG3 LYS B 9 16.513 -1.591 -0.796 1.00 0.00 H new ATOM 0 HD2 LYS B 9 18.777 -1.397 -0.202 1.00 0.00 H new ATOM 0 HD3 LYS B 9 18.384 0.285 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS B 9 18.019 0.683 1.924 1.00 0.00 H new ATOM 0 HE3 LYS B 9 18.203 -1.024 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 20.281 0.492 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 20.448 -1.005 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 20.297 0.418 0.737 1.00 0.00 H new ATOM 1149 N ALA B 10 14.876 1.770 2.409 1.00 0.00 N ATOM 1150 CA ALA B 10 15.022 2.170 3.838 1.00 0.00 C ATOM 1151 C ALA B 10 13.769 1.779 4.625 1.00 0.00 C ATOM 1152 O ALA B 10 13.843 1.364 5.765 1.00 0.00 O ATOM 1153 CB ALA B 10 15.183 3.690 3.809 1.00 0.00 C ATOM 0 H ALA B 10 14.963 2.530 1.735 1.00 0.00 H new ATOM 0 HA ALA B 10 15.867 1.680 4.321 1.00 0.00 H new ATOM 0 HB1 ALA B 10 15.296 4.063 4.827 1.00 0.00 H new ATOM 0 HB2 ALA B 10 16.066 3.951 3.226 1.00 0.00 H new ATOM 0 HB3 ALA B 10 14.301 4.141 3.353 1.00 0.00 H new ATOM 1159 N GLU B 11 12.617 1.909 4.027 1.00 0.00 N ATOM 1160 CA GLU B 11 11.361 1.545 4.740 1.00 0.00 C ATOM 1161 C GLU B 11 11.350 0.047 5.062 1.00 0.00 C ATOM 1162 O GLU B 11 10.931 -0.365 6.125 1.00 0.00 O ATOM 1163 CB GLU B 11 10.235 1.894 3.770 1.00 0.00 C ATOM 1164 CG GLU B 11 8.886 1.579 4.419 1.00 0.00 C ATOM 1165 CD GLU B 11 8.852 2.156 5.836 1.00 0.00 C ATOM 1166 OE1 GLU B 11 9.187 3.319 5.988 1.00 0.00 O ATOM 1167 OE2 GLU B 11 8.490 1.426 6.744 1.00 0.00 O ATOM 0 H GLU B 11 12.491 2.252 3.075 1.00 0.00 H new ATOM 0 HA GLU B 11 11.258 2.074 5.687 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.285 2.950 3.503 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.347 1.326 2.846 1.00 0.00 H new ATOM 0 HG2 GLU B 11 8.077 2.002 3.824 1.00 0.00 H new ATOM 0 HG3 GLU B 11 8.729 0.501 4.450 1.00 0.00 H new ATOM 1174 N ALA B 12 11.806 -0.769 4.151 1.00 0.00 N ATOM 1175 CA ALA B 12 11.820 -2.237 4.407 1.00 0.00 C ATOM 1176 C ALA B 12 12.729 -2.553 5.596 1.00 0.00 C ATOM 1177 O ALA B 12 12.392 -3.344 6.454 1.00 0.00 O ATOM 1178 CB ALA B 12 12.376 -2.857 3.125 1.00 0.00 C ATOM 0 H ALA B 12 12.169 -0.483 3.242 1.00 0.00 H new ATOM 0 HA ALA B 12 10.831 -2.626 4.650 1.00 0.00 H new ATOM 0 HB1 ALA B 12 12.418 -3.941 3.234 1.00 0.00 H new ATOM 0 HB2 ALA B 12 11.728 -2.601 2.287 1.00 0.00 H new ATOM 0 HB3 ALA B 12 13.379 -2.472 2.940 1.00 0.00 H new ATOM 1184 N VAL B 13 13.877 -1.935 5.660 1.00 0.00 N ATOM 1185 CA VAL B 13 14.799 -2.196 6.801 1.00 0.00 C ATOM 1186 C VAL B 13 14.136 -1.764 8.111 1.00 0.00 C ATOM 1187 O VAL B 13 14.240 -2.428 9.122 1.00 0.00 O ATOM 1188 CB VAL B 13 16.035 -1.342 6.518 1.00 0.00 C ATOM 1189 CG1 VAL B 13 17.006 -1.440 7.697 1.00 0.00 C ATOM 1190 CG2 VAL B 13 16.725 -1.849 5.250 1.00 0.00 C ATOM 0 H VAL B 13 14.216 -1.262 4.973 1.00 0.00 H new ATOM 0 HA VAL B 13 15.052 -3.252 6.900 1.00 0.00 H new ATOM 0 HB VAL B 13 15.734 -0.304 6.380 1.00 0.00 H new ATOM 0 HG11 VAL B 13 17.887 -0.831 7.494 1.00 0.00 H new ATOM 0 HG12 VAL B 13 16.517 -1.081 8.602 1.00 0.00 H new ATOM 0 HG13 VAL B 13 17.307 -2.478 7.835 1.00 0.00 H new ATOM 0 HG21 VAL B 13 17.606 -1.241 5.047 1.00 0.00 H new ATOM 0 HG22 VAL B 13 17.025 -2.888 5.390 1.00 0.00 H new ATOM 0 HG23 VAL B 13 16.036 -1.781 4.408 1.00 0.00 H new ATOM 1200 N ALA B 14 13.451 -0.653 8.094 1.00 0.00 N ATOM 1201 CA ALA B 14 12.774 -0.170 9.332 1.00 0.00 C ATOM 1202 C ALA B 14 11.711 -1.177 9.780 1.00 0.00 C ATOM 1203 O ALA B 14 11.499 -1.390 10.958 1.00 0.00 O ATOM 1204 CB ALA B 14 12.120 1.153 8.934 1.00 0.00 C ATOM 0 H ALA B 14 13.331 -0.058 7.275 1.00 0.00 H new ATOM 0 HA ALA B 14 13.469 -0.049 10.163 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.599 1.574 9.794 1.00 0.00 H new ATOM 0 HB2 ALA B 14 12.886 1.851 8.596 1.00 0.00 H new ATOM 0 HB3 ALA B 14 11.407 0.979 8.128 1.00 0.00 H new ATOM 1210 N THR B 15 11.039 -1.796 8.848 1.00 0.00 N ATOM 1211 CA THR B 15 9.987 -2.786 9.219 1.00 0.00 C ATOM 1212 C THR B 15 10.628 -4.041 9.819 1.00 0.00 C ATOM 1213 O THR B 15 10.132 -4.607 10.772 1.00 0.00 O ATOM 1214 CB THR B 15 9.279 -3.120 7.903 1.00 0.00 C ATOM 1215 OG1 THR B 15 8.575 -1.974 7.443 1.00 0.00 O ATOM 1216 CG2 THR B 15 8.296 -4.269 8.128 1.00 0.00 C ATOM 0 H THR B 15 11.173 -1.659 7.846 1.00 0.00 H new ATOM 0 HA THR B 15 9.297 -2.396 9.967 1.00 0.00 H new ATOM 0 HB THR B 15 10.017 -3.418 7.158 1.00 0.00 H new ATOM 0 HG1 THR B 15 9.196 -1.370 6.985 1.00 0.00 H new ATOM 0 HG21 THR B 15 7.793 -4.506 7.191 1.00 0.00 H new ATOM 0 HG22 THR B 15 8.837 -5.147 8.481 1.00 0.00 H new ATOM 0 HG23 THR B 15 7.556 -3.975 8.873 1.00 0.00 H new ATOM 1224 N VAL B 16 11.726 -4.480 9.267 1.00 0.00 N ATOM 1225 CA VAL B 16 12.397 -5.697 9.806 1.00 0.00 C ATOM 1226 C VAL B 16 12.993 -5.406 11.187 1.00 0.00 C ATOM 1227 O VAL B 16 12.904 -6.211 12.093 1.00 0.00 O ATOM 1228 CB VAL B 16 13.502 -6.018 8.798 1.00 0.00 C ATOM 1229 CG1 VAL B 16 14.256 -7.271 9.247 1.00 0.00 C ATOM 1230 CG2 VAL B 16 12.879 -6.266 7.423 1.00 0.00 C ATOM 0 H VAL B 16 12.187 -4.049 8.466 1.00 0.00 H new ATOM 0 HA VAL B 16 11.705 -6.530 9.931 1.00 0.00 H new ATOM 0 HB VAL B 16 14.195 -5.179 8.740 1.00 0.00 H new ATOM 0 HG11 VAL B 16 15.043 -7.499 8.528 1.00 0.00 H new ATOM 0 HG12 VAL B 16 14.699 -7.097 10.228 1.00 0.00 H new ATOM 0 HG13 VAL B 16 13.564 -8.111 9.306 1.00 0.00 H new ATOM 0 HG21 VAL B 16 13.665 -6.495 6.703 1.00 0.00 H new ATOM 0 HG22 VAL B 16 12.187 -7.106 7.483 1.00 0.00 H new ATOM 0 HG23 VAL B 16 12.341 -5.374 7.101 1.00 0.00 H new ATOM 1240 N VAL B 17 13.598 -4.262 11.354 1.00 0.00 N ATOM 1241 CA VAL B 17 14.197 -3.922 12.677 1.00 0.00 C ATOM 1242 C VAL B 17 13.109 -3.896 13.757 1.00 0.00 C ATOM 1243 O VAL B 17 13.286 -4.416 14.841 1.00 0.00 O ATOM 1244 CB VAL B 17 14.808 -2.531 12.489 1.00 0.00 C ATOM 1245 CG1 VAL B 17 15.063 -1.890 13.856 1.00 0.00 C ATOM 1246 CG2 VAL B 17 16.133 -2.656 11.734 1.00 0.00 C ATOM 0 H VAL B 17 13.704 -3.548 10.633 1.00 0.00 H new ATOM 0 HA VAL B 17 14.941 -4.651 12.996 1.00 0.00 H new ATOM 0 HB VAL B 17 14.118 -1.908 11.920 1.00 0.00 H new ATOM 0 HG11 VAL B 17 15.498 -0.900 13.718 1.00 0.00 H new ATOM 0 HG12 VAL B 17 14.121 -1.800 14.397 1.00 0.00 H new ATOM 0 HG13 VAL B 17 15.752 -2.513 14.427 1.00 0.00 H new ATOM 0 HG21 VAL B 17 16.570 -1.666 11.599 1.00 0.00 H new ATOM 0 HG22 VAL B 17 16.820 -3.281 12.305 1.00 0.00 H new ATOM 0 HG23 VAL B 17 15.955 -3.110 10.759 1.00 0.00 H new ATOM 1256 N ALA B 18 11.987 -3.295 13.470 1.00 0.00 N ATOM 1257 CA ALA B 18 10.892 -3.238 14.480 1.00 0.00 C ATOM 1258 C ALA B 18 10.395 -4.650 14.801 1.00 0.00 C ATOM 1259 O ALA B 18 10.195 -5.004 15.947 1.00 0.00 O ATOM 1260 CB ALA B 18 9.785 -2.418 13.819 1.00 0.00 C ATOM 0 H ALA B 18 11.781 -2.841 12.580 1.00 0.00 H new ATOM 0 HA ALA B 18 11.221 -2.795 15.420 1.00 0.00 H new ATOM 0 HB1 ALA B 18 8.940 -2.330 14.502 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.162 -1.424 13.579 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.462 -2.914 12.904 1.00 0.00 H new ATOM 1266 N ALA B 19 10.195 -5.460 13.798 1.00 0.00 N ATOM 1267 CA ALA B 19 9.711 -6.849 14.047 1.00 0.00 C ATOM 1268 C ALA B 19 10.756 -7.635 14.844 1.00 0.00 C ATOM 1269 O ALA B 19 10.437 -8.316 15.798 1.00 0.00 O ATOM 1270 CB ALA B 19 9.527 -7.461 12.658 1.00 0.00 C ATOM 0 H ALA B 19 10.345 -5.221 12.818 1.00 0.00 H new ATOM 0 HA ALA B 19 8.787 -6.867 14.625 1.00 0.00 H new ATOM 0 HB1 ALA B 19 9.171 -8.487 12.757 1.00 0.00 H new ATOM 0 HB2 ALA B 19 8.798 -6.877 12.097 1.00 0.00 H new ATOM 0 HB3 ALA B 19 10.480 -7.457 12.129 1.00 0.00 H new ATOM 1276 N VAL B 20 11.999 -7.545 14.460 1.00 0.00 N ATOM 1277 CA VAL B 20 13.062 -8.287 15.196 1.00 0.00 C ATOM 1278 C VAL B 20 13.129 -7.810 16.648 1.00 0.00 C ATOM 1279 O VAL B 20 13.168 -8.600 17.570 1.00 0.00 O ATOM 1280 CB VAL B 20 14.359 -7.954 14.461 1.00 0.00 C ATOM 1281 CG1 VAL B 20 15.542 -8.571 15.207 1.00 0.00 C ATOM 1282 CG2 VAL B 20 14.297 -8.523 13.041 1.00 0.00 C ATOM 0 H VAL B 20 12.325 -6.990 13.669 1.00 0.00 H new ATOM 0 HA VAL B 20 12.874 -9.360 15.223 1.00 0.00 H new ATOM 0 HB VAL B 20 14.485 -6.872 14.416 1.00 0.00 H new ATOM 0 HG11 VAL B 20 16.467 -8.333 14.682 1.00 0.00 H new ATOM 0 HG12 VAL B 20 15.585 -8.167 16.219 1.00 0.00 H new ATOM 0 HG13 VAL B 20 15.419 -9.653 15.253 1.00 0.00 H new ATOM 0 HG21 VAL B 20 15.221 -8.287 12.514 1.00 0.00 H new ATOM 0 HG22 VAL B 20 14.172 -9.605 13.088 1.00 0.00 H new ATOM 0 HG23 VAL B 20 13.453 -8.083 12.509 1.00 0.00 H new ATOM 1292 N ASP B 21 13.138 -6.522 16.862 1.00 0.00 N ATOM 1293 CA ASP B 21 13.196 -6.001 18.258 1.00 0.00 C ATOM 1294 C ASP B 21 12.038 -6.581 19.074 1.00 0.00 C ATOM 1295 O ASP B 21 12.151 -6.800 20.265 1.00 0.00 O ATOM 1296 CB ASP B 21 13.052 -4.485 18.123 1.00 0.00 C ATOM 1297 CG ASP B 21 13.369 -3.821 19.464 1.00 0.00 C ATOM 1298 OD1 ASP B 21 12.460 -3.691 20.267 1.00 0.00 O ATOM 1299 OD2 ASP B 21 14.515 -3.453 19.663 1.00 0.00 O ATOM 0 H ASP B 21 13.108 -5.810 16.133 1.00 0.00 H new ATOM 0 HA ASP B 21 14.120 -6.274 18.768 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.726 -4.112 17.352 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.039 -4.232 17.810 1.00 0.00 H new ATOM 1304 N GLN B 22 10.927 -6.832 18.439 1.00 0.00 N ATOM 1305 CA GLN B 22 9.755 -7.398 19.166 1.00 0.00 C ATOM 1306 C GLN B 22 10.082 -8.798 19.696 1.00 0.00 C ATOM 1307 O GLN B 22 9.651 -9.185 20.763 1.00 0.00 O ATOM 1308 CB GLN B 22 8.643 -7.472 18.120 1.00 0.00 C ATOM 1309 CG GLN B 22 7.286 -7.257 18.794 1.00 0.00 C ATOM 1310 CD GLN B 22 6.247 -8.184 18.162 1.00 0.00 C ATOM 1311 OE1 GLN B 22 6.551 -9.307 17.811 1.00 0.00 O ATOM 1312 NE2 GLN B 22 5.023 -7.760 18.001 1.00 0.00 N ATOM 0 H GLN B 22 10.779 -6.669 17.443 1.00 0.00 H new ATOM 0 HA GLN B 22 9.472 -6.792 20.026 1.00 0.00 H new ATOM 0 HB2 GLN B 22 8.802 -6.715 17.352 1.00 0.00 H new ATOM 0 HB3 GLN B 22 8.663 -8.441 17.622 1.00 0.00 H new ATOM 0 HG2 GLN B 22 7.364 -7.456 19.863 1.00 0.00 H new ATOM 0 HG3 GLN B 22 6.975 -6.218 18.685 1.00 0.00 H new ATOM 0 HE21 GLN B 22 4.767 -6.818 18.295 1.00 0.00 H new ATOM 0 HE22 GLN B 22 4.323 -8.371 17.581 1.00 0.00 H new ATOM 1321 N ALA B 23 10.834 -9.561 18.951 1.00 0.00 N ATOM 1322 CA ALA B 23 11.183 -10.939 19.405 1.00 0.00 C ATOM 1323 C ALA B 23 11.947 -10.888 20.731 1.00 0.00 C ATOM 1324 O ALA B 23 11.727 -11.693 21.613 1.00 0.00 O ATOM 1325 CB ALA B 23 12.067 -11.509 18.296 1.00 0.00 C ATOM 0 H ALA B 23 11.222 -9.291 18.047 1.00 0.00 H new ATOM 0 HA ALA B 23 10.298 -11.552 19.577 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.367 -12.524 18.555 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.511 -11.523 17.359 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.954 -10.886 18.182 1.00 0.00 H new ATOM 1331 N ARG B 24 12.842 -9.949 20.883 1.00 0.00 N ATOM 1332 CA ARG B 24 13.610 -9.859 22.160 1.00 0.00 C ATOM 1333 C ARG B 24 12.685 -9.402 23.287 1.00 0.00 C ATOM 1334 O ARG B 24 12.675 -9.962 24.365 1.00 0.00 O ATOM 1335 CB ARG B 24 14.693 -8.805 21.923 1.00 0.00 C ATOM 1336 CG ARG B 24 15.409 -9.062 20.597 1.00 0.00 C ATOM 1337 CD ARG B 24 15.634 -7.727 19.886 1.00 0.00 C ATOM 1338 NE ARG B 24 17.023 -7.331 20.246 1.00 0.00 N ATOM 1339 CZ ARG B 24 18.038 -8.025 19.803 1.00 0.00 C ATOM 1340 NH1 ARG B 24 17.837 -9.065 19.038 1.00 0.00 N ATOM 1341 NH2 ARG B 24 19.255 -7.678 20.124 1.00 0.00 N ATOM 0 H ARG B 24 13.074 -9.244 20.183 1.00 0.00 H new ATOM 0 HA ARG B 24 14.037 -10.821 22.443 1.00 0.00 H new ATOM 0 HB2 ARG B 24 14.246 -7.811 21.915 1.00 0.00 H new ATOM 0 HB3 ARG B 24 15.413 -8.824 22.741 1.00 0.00 H new ATOM 0 HG2 ARG B 24 16.362 -9.560 20.774 1.00 0.00 H new ATOM 0 HG3 ARG B 24 14.814 -9.727 19.971 1.00 0.00 H new ATOM 0 HD2 ARG B 24 15.520 -7.830 18.807 1.00 0.00 H new ATOM 0 HD3 ARG B 24 14.912 -6.978 20.213 1.00 0.00 H new ATOM 0 HE ARG B 24 17.183 -6.517 20.839 1.00 0.00 H new ATOM 0 HH11 ARG B 24 16.887 -9.336 18.786 1.00 0.00 H new ATOM 0 HH12 ARG B 24 18.630 -9.605 18.693 1.00 0.00 H new ATOM 0 HH21 ARG B 24 19.413 -6.866 20.720 1.00 0.00 H new ATOM 0 HH22 ARG B 24 20.048 -8.219 19.779 1.00 0.00 H new ATOM 1355 N VAL B 25 11.917 -8.378 23.043 1.00 0.00 N ATOM 1356 CA VAL B 25 10.996 -7.868 24.094 1.00 0.00 C ATOM 1357 C VAL B 25 10.133 -9.004 24.645 1.00 0.00 C ATOM 1358 O VAL B 25 9.584 -8.914 25.724 1.00 0.00 O ATOM 1359 CB VAL B 25 10.126 -6.822 23.398 1.00 0.00 C ATOM 1360 CG1 VAL B 25 8.990 -6.402 24.333 1.00 0.00 C ATOM 1361 CG2 VAL B 25 10.980 -5.599 23.053 1.00 0.00 C ATOM 0 H VAL B 25 11.888 -7.871 22.158 1.00 0.00 H new ATOM 0 HA VAL B 25 11.539 -7.445 24.939 1.00 0.00 H new ATOM 0 HB VAL B 25 9.708 -7.244 22.484 1.00 0.00 H new ATOM 0 HG11 VAL B 25 8.368 -5.656 23.838 1.00 0.00 H new ATOM 0 HG12 VAL B 25 8.383 -7.272 24.582 1.00 0.00 H new ATOM 0 HG13 VAL B 25 9.408 -5.978 25.246 1.00 0.00 H new ATOM 0 HG21 VAL B 25 10.361 -4.852 22.556 1.00 0.00 H new ATOM 0 HG22 VAL B 25 11.396 -5.176 23.967 1.00 0.00 H new ATOM 0 HG23 VAL B 25 11.791 -5.897 22.389 1.00 0.00 H new ATOM 1371 N ARG B 26 10.005 -10.069 23.906 1.00 0.00 N ATOM 1372 CA ARG B 26 9.170 -11.213 24.380 1.00 0.00 C ATOM 1373 C ARG B 26 9.935 -12.067 25.396 1.00 0.00 C ATOM 1374 O ARG B 26 9.524 -13.158 25.735 1.00 0.00 O ATOM 1375 CB ARG B 26 8.860 -12.026 23.124 1.00 0.00 C ATOM 1376 CG ARG B 26 7.345 -12.147 22.954 1.00 0.00 C ATOM 1377 CD ARG B 26 6.971 -11.851 21.500 1.00 0.00 C ATOM 1378 NE ARG B 26 7.558 -12.971 20.715 1.00 0.00 N ATOM 1379 CZ ARG B 26 7.672 -12.872 19.419 1.00 0.00 C ATOM 1380 NH1 ARG B 26 7.281 -11.787 18.805 1.00 0.00 N ATOM 1381 NH2 ARG B 26 8.181 -13.857 18.734 1.00 0.00 N ATOM 0 H ARG B 26 10.442 -10.200 22.993 1.00 0.00 H new ATOM 0 HA ARG B 26 8.266 -10.871 24.883 1.00 0.00 H new ATOM 0 HB2 ARG B 26 9.297 -11.544 22.249 1.00 0.00 H new ATOM 0 HB3 ARG B 26 9.308 -13.017 23.200 1.00 0.00 H new ATOM 0 HG2 ARG B 26 7.016 -13.149 23.229 1.00 0.00 H new ATOM 0 HG3 ARG B 26 6.836 -11.451 23.621 1.00 0.00 H new ATOM 0 HD2 ARG B 26 5.890 -11.804 21.372 1.00 0.00 H new ATOM 0 HD3 ARG B 26 7.372 -10.890 21.177 1.00 0.00 H new ATOM 0 HE ARG B 26 7.872 -13.817 21.191 1.00 0.00 H new ATOM 0 HH11 ARG B 26 6.885 -11.013 19.339 1.00 0.00 H new ATOM 0 HH12 ARG B 26 7.372 -11.714 17.792 1.00 0.00 H new ATOM 0 HH21 ARG B 26 8.490 -14.704 19.211 1.00 0.00 H new ATOM 0 HH22 ARG B 26 8.271 -13.781 17.721 1.00 0.00 H new ATOM 1395 N GLU B 27 11.037 -11.578 25.889 1.00 0.00 N ATOM 1396 CA GLU B 27 11.818 -12.362 26.887 1.00 0.00 C ATOM 1397 C GLU B 27 11.580 -11.803 28.292 1.00 0.00 C ATOM 1398 O GLU B 27 11.569 -10.604 28.489 1.00 0.00 O ATOM 1399 CB GLU B 27 13.280 -12.182 26.478 1.00 0.00 C ATOM 1400 CG GLU B 27 14.158 -13.147 27.278 1.00 0.00 C ATOM 1401 CD GLU B 27 15.612 -13.011 26.822 1.00 0.00 C ATOM 1402 OE1 GLU B 27 15.962 -13.633 25.833 1.00 0.00 O ATOM 1403 OE2 GLU B 27 16.350 -12.288 27.470 1.00 0.00 O ATOM 0 H GLU B 27 11.432 -10.670 25.645 1.00 0.00 H new ATOM 0 HA GLU B 27 11.530 -13.413 26.907 1.00 0.00 H new ATOM 0 HB2 GLU B 27 13.395 -12.369 25.410 1.00 0.00 H new ATOM 0 HB3 GLU B 27 13.595 -11.154 26.657 1.00 0.00 H new ATOM 0 HG2 GLU B 27 14.078 -12.930 28.343 1.00 0.00 H new ATOM 0 HG3 GLU B 27 13.815 -14.172 27.135 1.00 0.00 H new ATOM 1410 N PRO B 28 11.394 -12.697 29.223 1.00 0.00 N ATOM 1411 CA PRO B 28 11.152 -12.242 30.617 1.00 0.00 C ATOM 1412 C PRO B 28 12.366 -11.473 31.143 1.00 0.00 C ATOM 1413 O PRO B 28 13.179 -12.001 31.875 1.00 0.00 O ATOM 1414 CB PRO B 28 10.942 -13.531 31.409 1.00 0.00 C ATOM 1415 CG PRO B 28 10.611 -14.572 30.391 1.00 0.00 C ATOM 1416 CD PRO B 28 11.269 -14.154 29.106 1.00 0.00 C ATOM 0 HA PRO B 28 10.299 -11.568 30.696 1.00 0.00 H new ATOM 0 HB2 PRO B 28 11.838 -13.799 31.968 1.00 0.00 H new ATOM 0 HB3 PRO B 28 10.136 -13.420 32.134 1.00 0.00 H new ATOM 0 HG2 PRO B 28 10.972 -15.550 30.709 1.00 0.00 H new ATOM 0 HG3 PRO B 28 9.532 -14.656 30.262 1.00 0.00 H new ATOM 0 HD2 PRO B 28 12.243 -14.629 28.984 1.00 0.00 H new ATOM 0 HD3 PRO B 28 10.668 -14.434 28.241 1.00 0.00 H new ATOM 1424 N ARG B 29 12.493 -10.227 30.776 1.00 0.00 N ATOM 1425 CA ARG B 29 13.653 -9.422 31.254 1.00 0.00 C ATOM 1426 C ARG B 29 13.172 -8.083 31.819 1.00 0.00 C ATOM 1427 O ARG B 29 12.105 -7.988 32.391 1.00 0.00 O ATOM 1428 CB ARG B 29 14.520 -9.201 30.013 1.00 0.00 C ATOM 1429 CG ARG B 29 15.457 -10.397 29.827 1.00 0.00 C ATOM 1430 CD ARG B 29 16.804 -10.101 30.491 1.00 0.00 C ATOM 1431 NE ARG B 29 17.375 -8.968 29.712 1.00 0.00 N ATOM 1432 CZ ARG B 29 18.373 -8.276 30.193 1.00 0.00 C ATOM 1433 NH1 ARG B 29 18.865 -8.563 31.369 1.00 0.00 N ATOM 1434 NH2 ARG B 29 18.877 -7.294 29.497 1.00 0.00 N ATOM 0 H ARG B 29 11.843 -9.731 30.166 1.00 0.00 H new ATOM 0 HA ARG B 29 14.202 -9.923 32.051 1.00 0.00 H new ATOM 0 HB2 ARG B 29 13.889 -9.079 29.132 1.00 0.00 H new ATOM 0 HB3 ARG B 29 15.100 -8.284 30.120 1.00 0.00 H new ATOM 0 HG2 ARG B 29 15.013 -11.291 30.264 1.00 0.00 H new ATOM 0 HG3 ARG B 29 15.600 -10.599 28.765 1.00 0.00 H new ATOM 0 HD2 ARG B 29 16.677 -9.835 31.540 1.00 0.00 H new ATOM 0 HD3 ARG B 29 17.459 -10.971 30.460 1.00 0.00 H new ATOM 0 HE ARG B 29 16.986 -8.731 28.799 1.00 0.00 H new ATOM 0 HH11 ARG B 29 18.470 -9.329 31.914 1.00 0.00 H new ATOM 0 HH12 ARG B 29 19.644 -8.021 31.742 1.00 0.00 H new ATOM 0 HH21 ARG B 29 18.492 -7.068 28.580 1.00 0.00 H new ATOM 0 HH22 ARG B 29 19.656 -6.752 29.870 1.00 0.00 H new TER 1448 ARG B 29