USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 764 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 89 THR OG1 : rot -20:sc= 1.35 USER MOD Set 1.2: A 101 TYR OH : rot 23:sc= 1.57! USER MOD Set 2.1: A 41 MET CE :methyl 160:sc= -4.03! (180deg=-2.23) USER MOD Set 2.2: A 46 THR OG1 : rot 90:sc= -0.432 USER MOD Set 3.1: A 28 MET CE :methyl -128:sc= -35.7! (180deg=-35.9!) USER MOD Set 3.2: A 80 MET CE :methyl -152:sc= -3.63! (180deg=-4.59!) USER MOD Set 4.1: A 21 MET CE :methyl 168:sc= -0.0576 (180deg=-0.232) USER MOD Set 4.2: A 83 HIS : no HD1:sc= -0.242 K(o=-0.3,f=-2.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.487 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -140:sc= -0.179 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00299 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.795! F(o=-1.5,f=-0.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -5.67! C(o=-5.7!,f=-11!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 86:sc= 1.14 USER MOD Single : A 63 HIS : no HD1:sc= -17.5! C(o=-17!,f=-22!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 23:sc= -7.83! USER MOD Single : A 78 SER OG : rot -82:sc= -0.607! USER MOD Single : A 79 SER OG : rot 76:sc= 0.433 USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= -0.0485 (180deg=-0.547) USER MOD Single : A 88 HIS :FLIP no HD1:sc= -9.7! C(o=-13!,f=-9.7!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -6:sc= 1.01 USER MOD Single : A 96 SER OG : rot 28:sc= 1.16 USER MOD Single : A 98 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.1!) USER MOD Single : A 99 CYS SG : rot 180:sc= 0.205 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 4.679 10.803 -5.835 1.00 0.00 N ATOM 28 CA PRO A 14 5.991 10.721 -5.230 1.00 0.00 C ATOM 29 C PRO A 14 6.485 9.282 -5.275 1.00 0.00 C ATOM 30 O PRO A 14 7.609 8.997 -4.866 1.00 0.00 O ATOM 31 CB PRO A 14 5.788 11.186 -3.790 1.00 0.00 C ATOM 32 CG PRO A 14 4.347 10.767 -3.499 1.00 0.00 C ATOM 33 CD PRO A 14 3.652 11.010 -4.837 1.00 0.00 C ATOM 0 HA PRO A 14 6.735 11.329 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.493 10.710 -3.108 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.924 12.263 -3.690 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.283 9.723 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.906 11.362 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.819 10.322 -4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.245 12.020 -4.893 1.00 0.00 H new ATOM 41 N LEU A 15 5.642 8.375 -5.773 1.00 0.00 N ATOM 42 CA LEU A 15 5.995 6.972 -5.867 1.00 0.00 C ATOM 43 C LEU A 15 5.757 6.474 -7.285 1.00 0.00 C ATOM 44 O LEU A 15 5.334 7.237 -8.151 1.00 0.00 O ATOM 45 CB LEU A 15 5.168 6.172 -4.866 1.00 0.00 C ATOM 46 CG LEU A 15 4.822 7.055 -3.670 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.789 6.347 -2.797 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.083 7.322 -2.853 1.00 0.00 C ATOM 0 H LEU A 15 4.708 8.597 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 15 7.051 6.842 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.256 5.809 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.726 5.296 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 15 4.412 8.001 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.541 6.977 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.888 6.157 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.199 5.401 -2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.836 7.953 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.494 6.377 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.820 7.828 -3.477 1.00 0.00 H new ATOM 60 N THR A 16 6.028 5.188 -7.522 1.00 0.00 N ATOM 61 CA THR A 16 5.840 4.599 -8.832 1.00 0.00 C ATOM 62 C THR A 16 5.598 3.103 -8.698 1.00 0.00 C ATOM 63 O THR A 16 4.644 2.572 -9.264 1.00 0.00 O ATOM 64 CB THR A 16 7.069 4.873 -9.693 1.00 0.00 C ATOM 65 OG1 THR A 16 7.710 6.043 -9.238 1.00 0.00 O ATOM 66 CG2 THR A 16 6.641 5.059 -11.146 1.00 0.00 C ATOM 0 H THR A 16 6.379 4.541 -6.816 1.00 0.00 H new ATOM 0 HA THR A 16 4.969 5.045 -9.312 1.00 0.00 H new ATOM 0 HB THR A 16 7.757 4.031 -9.622 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.501 6.219 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.519 5.255 -11.762 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.145 4.154 -11.498 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.953 5.901 -11.218 1.00 0.00 H new ATOM 74 N VAL A 17 6.465 2.422 -7.945 1.00 0.00 N ATOM 75 CA VAL A 17 6.343 0.993 -7.739 1.00 0.00 C ATOM 76 C VAL A 17 7.617 0.454 -7.105 1.00 0.00 C ATOM 77 O VAL A 17 7.574 -0.514 -6.349 1.00 0.00 O ATOM 78 CB VAL A 17 6.073 0.309 -9.076 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.072 -0.827 -9.278 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.655 -0.254 -9.082 1.00 0.00 C ATOM 0 H VAL A 17 7.260 2.848 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 17 5.510 0.787 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 17 6.180 1.034 -9.883 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.879 -1.316 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.085 -0.425 -9.274 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.966 -1.552 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.462 -0.743 -10.037 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.548 -0.979 -8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.941 0.557 -8.938 1.00 0.00 H new ATOM 90 N LYS A 18 8.753 1.084 -7.414 1.00 0.00 N ATOM 91 CA LYS A 18 10.030 0.663 -6.872 1.00 0.00 C ATOM 92 C LYS A 18 10.463 1.617 -5.768 1.00 0.00 C ATOM 93 O LYS A 18 11.514 1.430 -5.159 1.00 0.00 O ATOM 94 CB LYS A 18 11.068 0.624 -7.990 1.00 0.00 C ATOM 95 CG LYS A 18 10.721 -0.497 -8.966 1.00 0.00 C ATOM 96 CD LYS A 18 11.866 -1.505 -9.011 1.00 0.00 C ATOM 97 CE LYS A 18 11.411 -2.759 -9.751 1.00 0.00 C ATOM 98 NZ LYS A 18 12.448 -3.802 -9.710 1.00 0.00 N ATOM 0 H LYS A 18 8.806 1.888 -8.039 1.00 0.00 H new ATOM 0 HA LYS A 18 9.936 -0.336 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.092 1.581 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.062 0.463 -7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.800 -0.991 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.544 -0.086 -9.960 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.730 -1.068 -9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.180 -1.761 -7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.492 -3.137 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.181 -2.511 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.114 -4.644 -10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.316 -3.447 -10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.649 -4.053 -8.721 1.00 0.00 H new ATOM 112 N SER A 19 9.649 2.644 -5.511 1.00 0.00 N ATOM 113 CA SER A 19 9.952 3.619 -4.483 1.00 0.00 C ATOM 114 C SER A 19 10.304 2.909 -3.184 1.00 0.00 C ATOM 115 O SER A 19 9.774 1.837 -2.897 1.00 0.00 O ATOM 116 CB SER A 19 8.751 4.540 -4.287 1.00 0.00 C ATOM 117 OG SER A 19 9.075 5.837 -4.736 1.00 0.00 O ATOM 0 H SER A 19 8.774 2.814 -6.007 1.00 0.00 H new ATOM 0 HA SER A 19 10.809 4.220 -4.788 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.892 4.157 -4.838 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.468 4.568 -3.235 1.00 0.00 H new ATOM 0 HG SER A 19 8.696 6.500 -4.122 1.00 0.00 H new ATOM 123 N ASP A 20 11.200 3.508 -2.397 1.00 0.00 N ATOM 124 CA ASP A 20 11.617 2.931 -1.135 1.00 0.00 C ATOM 125 C ASP A 20 10.421 2.302 -0.436 1.00 0.00 C ATOM 126 O ASP A 20 9.525 3.009 0.022 1.00 0.00 O ATOM 127 CB ASP A 20 12.245 4.016 -0.264 1.00 0.00 C ATOM 128 CG ASP A 20 13.763 3.911 -0.275 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.284 3.124 0.545 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.375 4.620 -1.103 1.00 0.00 O ATOM 0 H ASP A 20 11.648 4.397 -2.620 1.00 0.00 H new ATOM 0 HA ASP A 20 12.359 2.152 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.942 4.999 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.878 3.925 0.758 1.00 0.00 H new ATOM 136 N MET A 21 10.406 0.970 -0.355 1.00 0.00 N ATOM 137 CA MET A 21 9.319 0.257 0.286 1.00 0.00 C ATOM 138 C MET A 21 8.924 0.964 1.575 1.00 0.00 C ATOM 139 O MET A 21 7.740 1.149 1.847 1.00 0.00 O ATOM 140 CB MET A 21 9.750 -1.179 0.568 1.00 0.00 C ATOM 141 CG MET A 21 9.424 -2.055 -0.638 1.00 0.00 C ATOM 142 SD MET A 21 10.507 -1.776 -2.062 1.00 0.00 S ATOM 143 CE MET A 21 12.011 -2.569 -1.441 1.00 0.00 C ATOM 0 H MET A 21 11.140 0.369 -0.729 1.00 0.00 H new ATOM 0 HA MET A 21 8.452 0.240 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 21 10.819 -1.214 0.778 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.238 -1.556 1.454 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.491 -3.102 -0.343 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.392 -1.874 -0.938 1.00 0.00 H new ATOM 0 HE1 MET A 21 12.724 -2.686 -2.257 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.452 -1.951 -0.659 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.764 -3.549 -1.032 1.00 0.00 H new ATOM 153 N SER A 22 9.922 1.360 2.369 1.00 0.00 N ATOM 154 CA SER A 22 9.674 2.045 3.622 1.00 0.00 C ATOM 155 C SER A 22 8.875 3.315 3.367 1.00 0.00 C ATOM 156 O SER A 22 8.016 3.681 4.166 1.00 0.00 O ATOM 157 CB SER A 22 11.005 2.368 4.295 1.00 0.00 C ATOM 158 OG SER A 22 10.788 2.623 5.665 1.00 0.00 O ATOM 0 H SER A 22 10.909 1.213 2.158 1.00 0.00 H new ATOM 0 HA SER A 22 9.093 1.403 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.698 1.535 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.464 3.235 3.821 1.00 0.00 H new ATOM 0 HG SER A 22 11.642 2.829 6.099 1.00 0.00 H new ATOM 164 N ALA A 23 9.160 3.987 2.250 1.00 0.00 N ATOM 165 CA ALA A 23 8.469 5.211 1.896 1.00 0.00 C ATOM 166 C ALA A 23 7.054 4.889 1.437 1.00 0.00 C ATOM 167 O ALA A 23 6.139 5.685 1.636 1.00 0.00 O ATOM 168 CB ALA A 23 9.244 5.932 0.797 1.00 0.00 C ATOM 0 H ALA A 23 9.869 3.696 1.577 1.00 0.00 H new ATOM 0 HA ALA A 23 8.407 5.864 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.725 6.853 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.246 6.171 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.316 5.288 -0.080 1.00 0.00 H new ATOM 174 N ILE A 24 6.876 3.718 0.821 1.00 0.00 N ATOM 175 CA ILE A 24 5.577 3.296 0.338 1.00 0.00 C ATOM 176 C ILE A 24 4.657 3.010 1.517 1.00 0.00 C ATOM 177 O ILE A 24 3.588 3.604 1.631 1.00 0.00 O ATOM 178 CB ILE A 24 5.738 2.056 -0.537 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.460 2.433 -1.827 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.362 1.487 -0.871 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.675 3.526 -2.548 1.00 0.00 C ATOM 0 H ILE A 24 7.625 3.048 0.648 1.00 0.00 H new ATOM 0 HA ILE A 24 5.131 4.090 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 24 6.321 1.307 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.468 2.782 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.560 1.558 -2.469 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.476 0.601 -1.496 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.847 1.217 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.779 2.236 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.190 3.796 -3.470 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.676 3.161 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.598 4.403 -1.905 1.00 0.00 H new ATOM 193 N VAL A 25 5.077 2.096 2.395 1.00 0.00 N ATOM 194 CA VAL A 25 4.292 1.736 3.559 1.00 0.00 C ATOM 195 C VAL A 25 4.010 2.978 4.394 1.00 0.00 C ATOM 196 O VAL A 25 2.895 3.164 4.875 1.00 0.00 O ATOM 197 CB VAL A 25 5.046 0.693 4.378 1.00 0.00 C ATOM 198 CG1 VAL A 25 4.214 0.305 5.597 1.00 0.00 C ATOM 199 CG2 VAL A 25 5.297 -0.543 3.519 1.00 0.00 C ATOM 0 H VAL A 25 5.962 1.595 2.314 1.00 0.00 H new ATOM 0 HA VAL A 25 3.340 1.310 3.243 1.00 0.00 H new ATOM 0 HB VAL A 25 5.999 1.108 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.752 -0.440 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.034 1.188 6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.261 -0.110 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.836 -1.289 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.344 -0.958 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.891 -0.266 2.648 1.00 0.00 H new ATOM 209 N ARG A 26 5.026 3.827 4.564 1.00 0.00 N ATOM 210 CA ARG A 26 4.884 5.044 5.338 1.00 0.00 C ATOM 211 C ARG A 26 3.730 5.872 4.791 1.00 0.00 C ATOM 212 O ARG A 26 2.864 6.309 5.546 1.00 0.00 O ATOM 213 CB ARG A 26 6.188 5.834 5.286 1.00 0.00 C ATOM 214 CG ARG A 26 7.011 5.539 6.537 1.00 0.00 C ATOM 215 CD ARG A 26 8.491 5.759 6.236 1.00 0.00 C ATOM 216 NE ARG A 26 9.161 6.425 7.353 1.00 0.00 N ATOM 217 CZ ARG A 26 10.477 6.311 7.582 1.00 0.00 C ATOM 218 NH1 ARG A 26 11.236 5.565 6.768 1.00 0.00 N ATOM 219 NH2 ARG A 26 11.033 6.945 8.624 1.00 0.00 N ATOM 0 H ARG A 26 5.956 3.685 4.171 1.00 0.00 H new ATOM 0 HA ARG A 26 4.666 4.795 6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.753 5.565 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.977 6.901 5.220 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.695 6.187 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.844 4.512 6.862 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.972 4.801 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.596 6.361 5.333 1.00 0.00 H new ATOM 0 HE ARG A 26 8.603 7.000 7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.813 5.084 5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.237 5.478 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.455 7.514 9.242 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.034 6.858 8.798 1.00 0.00 H new ATOM 233 N VAL A 27 3.720 6.086 3.473 1.00 0.00 N ATOM 234 CA VAL A 27 2.675 6.859 2.832 1.00 0.00 C ATOM 235 C VAL A 27 1.313 6.284 3.196 1.00 0.00 C ATOM 236 O VAL A 27 0.484 6.974 3.785 1.00 0.00 O ATOM 237 CB VAL A 27 2.884 6.840 1.321 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.755 7.610 0.641 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.220 7.495 0.984 1.00 0.00 C ATOM 0 H VAL A 27 4.431 5.730 2.834 1.00 0.00 H new ATOM 0 HA VAL A 27 2.716 7.892 3.178 1.00 0.00 H new ATOM 0 HB VAL A 27 2.885 5.809 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.904 7.597 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.800 7.143 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.754 8.641 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.370 7.482 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.219 8.526 1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.027 6.946 1.469 1.00 0.00 H new ATOM 249 N MET A 28 1.083 5.017 2.843 1.00 0.00 N ATOM 250 CA MET A 28 -0.176 4.361 3.134 1.00 0.00 C ATOM 251 C MET A 28 -0.580 4.631 4.576 1.00 0.00 C ATOM 252 O MET A 28 -1.758 4.825 4.868 1.00 0.00 O ATOM 253 CB MET A 28 -0.036 2.862 2.884 1.00 0.00 C ATOM 254 CG MET A 28 0.521 2.630 1.482 1.00 0.00 C ATOM 255 SD MET A 28 -0.110 1.135 0.679 1.00 0.00 S ATOM 256 CE MET A 28 0.635 -0.111 1.761 1.00 0.00 C ATOM 0 H MET A 28 1.760 4.431 2.354 1.00 0.00 H new ATOM 0 HA MET A 28 -0.954 4.755 2.481 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.626 2.419 3.628 1.00 0.00 H new ATOM 0 HB3 MET A 28 -1.005 2.373 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.283 3.493 0.860 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.608 2.569 1.539 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.174 -0.841 1.158 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.327 0.373 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.148 -0.616 2.328 1.00 0.00 H new ATOM 266 N GLN A 29 0.403 4.643 5.480 1.00 0.00 N ATOM 267 CA GLN A 29 0.145 4.888 6.885 1.00 0.00 C ATOM 268 C GLN A 29 -0.477 6.266 7.063 1.00 0.00 C ATOM 269 O GLN A 29 -1.495 6.407 7.737 1.00 0.00 O ATOM 270 CB GLN A 29 1.452 4.780 7.666 1.00 0.00 C ATOM 271 CG GLN A 29 1.390 3.572 8.596 1.00 0.00 C ATOM 272 CD GLN A 29 2.330 3.749 9.779 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.473 4.398 9.544 1.00 0.00 O flip ATOM 274 NE2 GLN A 29 2.029 3.309 10.886 1.00 0.00 N flip ATOM 0 H GLN A 29 1.385 4.484 5.254 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.555 4.144 7.266 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.292 4.680 6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.619 5.689 8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.370 3.436 8.954 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.658 2.670 8.046 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.144 2.820 11.017 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.664 3.433 11.674 1.00 0.00 H new ATOM 283 N LEU A 30 0.138 7.284 6.456 1.00 0.00 N ATOM 284 CA LEU A 30 -0.358 8.643 6.550 1.00 0.00 C ATOM 285 C LEU A 30 -1.879 8.643 6.491 1.00 0.00 C ATOM 286 O LEU A 30 -2.470 7.978 5.643 1.00 0.00 O ATOM 287 CB LEU A 30 0.227 9.476 5.414 1.00 0.00 C ATOM 288 CG LEU A 30 1.729 9.645 5.628 1.00 0.00 C ATOM 289 CD1 LEU A 30 2.343 10.328 4.409 1.00 0.00 C ATOM 290 CD2 LEU A 30 1.973 10.501 6.868 1.00 0.00 C ATOM 0 H LEU A 30 0.983 7.183 5.894 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.052 9.081 7.500 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.038 8.989 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.258 10.451 5.377 1.00 0.00 H new ATOM 0 HG LEU A 30 2.189 8.666 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.416 10.449 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.169 9.717 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.884 11.307 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.045 10.622 7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.513 11.480 6.731 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.535 10.013 7.739 1.00 0.00 H new ATOM 302 N PRO A 31 -2.512 9.393 7.397 1.00 0.00 N ATOM 303 CA PRO A 31 -3.951 9.517 7.491 1.00 0.00 C ATOM 304 C PRO A 31 -4.468 10.355 6.331 1.00 0.00 C ATOM 305 O PRO A 31 -5.669 10.593 6.221 1.00 0.00 O ATOM 306 CB PRO A 31 -4.197 10.218 8.825 1.00 0.00 C ATOM 307 CG PRO A 31 -2.943 11.076 8.993 1.00 0.00 C ATOM 308 CD PRO A 31 -1.848 10.187 8.408 1.00 0.00 C ATOM 0 HA PRO A 31 -4.464 8.556 7.443 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.102 10.825 8.802 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.312 9.505 9.641 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.025 12.022 8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.754 11.316 10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.044 10.783 7.977 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.400 9.555 9.175 1.00 0.00 H new ATOM 316 N ASP A 32 -3.557 10.804 5.464 1.00 0.00 N ATOM 317 CA ASP A 32 -3.925 11.614 4.320 1.00 0.00 C ATOM 318 C ASP A 32 -3.432 10.953 3.041 1.00 0.00 C ATOM 319 O ASP A 32 -3.164 11.633 2.053 1.00 0.00 O ATOM 320 CB ASP A 32 -3.328 13.010 4.473 1.00 0.00 C ATOM 321 CG ASP A 32 -3.625 13.580 5.852 1.00 0.00 C ATOM 322 OD1 ASP A 32 -3.304 12.881 6.837 1.00 0.00 O ATOM 323 OD2 ASP A 32 -4.169 14.705 5.896 1.00 0.00 O ATOM 0 H ASP A 32 -2.558 10.615 5.541 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.010 11.702 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.250 12.968 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.735 13.670 3.707 1.00 0.00 H new ATOM 329 N SER A 33 -3.312 9.624 3.061 1.00 0.00 N ATOM 330 CA SER A 33 -2.853 8.881 1.905 1.00 0.00 C ATOM 331 C SER A 33 -4.048 8.377 1.107 1.00 0.00 C ATOM 332 O SER A 33 -4.147 8.628 -0.092 1.00 0.00 O ATOM 333 CB SER A 33 -1.979 7.717 2.363 1.00 0.00 C ATOM 334 OG SER A 33 -1.597 6.948 1.244 1.00 0.00 O ATOM 0 H SER A 33 -3.529 9.046 3.873 1.00 0.00 H new ATOM 0 HA SER A 33 -2.261 9.532 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.095 8.093 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.524 7.097 3.075 1.00 0.00 H new ATOM 340 N GLY A 34 -4.957 7.664 1.776 1.00 0.00 N ATOM 341 CA GLY A 34 -6.137 7.132 1.123 1.00 0.00 C ATOM 342 C GLY A 34 -6.401 5.707 1.591 1.00 0.00 C ATOM 343 O GLY A 34 -7.453 5.141 1.301 1.00 0.00 O ATOM 0 H GLY A 34 -4.891 7.446 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.999 7.761 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.001 7.148 0.042 1.00 0.00 H new ATOM 347 N LEU A 35 -5.441 5.128 2.316 1.00 0.00 N ATOM 348 CA LEU A 35 -5.573 3.776 2.819 1.00 0.00 C ATOM 349 C LEU A 35 -5.708 3.799 4.335 1.00 0.00 C ATOM 350 O LEU A 35 -6.608 3.172 4.890 1.00 0.00 O ATOM 351 CB LEU A 35 -4.357 2.956 2.398 1.00 0.00 C ATOM 352 CG LEU A 35 -4.466 1.549 2.979 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.891 1.034 2.802 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.496 0.622 2.253 1.00 0.00 C ATOM 0 H LEU A 35 -4.563 5.584 2.564 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.468 3.316 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.296 2.908 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.443 3.436 2.748 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.218 1.574 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.969 0.029 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.584 1.696 3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.140 1.009 1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.574 -0.383 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.743 0.596 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.478 0.989 2.380 1.00 0.00 H new ATOM 366 N GLU A 36 -4.810 4.525 5.005 1.00 0.00 N ATOM 367 CA GLU A 36 -4.837 4.626 6.451 1.00 0.00 C ATOM 368 C GLU A 36 -4.708 3.241 7.070 1.00 0.00 C ATOM 369 O GLU A 36 -5.562 2.382 6.859 1.00 0.00 O ATOM 370 CB GLU A 36 -6.137 5.295 6.888 1.00 0.00 C ATOM 371 CG GLU A 36 -5.848 6.270 8.026 1.00 0.00 C ATOM 372 CD GLU A 36 -6.701 7.524 7.896 1.00 0.00 C ATOM 373 OE1 GLU A 36 -6.731 8.076 6.775 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.307 7.907 8.920 1.00 0.00 O ATOM 0 H GLU A 36 -4.057 5.050 4.560 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.998 5.232 6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.587 5.823 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.855 4.542 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.047 5.788 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.792 6.541 8.019 1.00 0.00 H new ATOM 382 N ILE A 37 -3.637 3.027 7.837 1.00 0.00 N ATOM 383 CA ILE A 37 -3.400 1.753 8.485 1.00 0.00 C ATOM 384 C ILE A 37 -3.481 1.920 9.996 1.00 0.00 C ATOM 385 O ILE A 37 -2.550 2.429 10.616 1.00 0.00 O ATOM 386 CB ILE A 37 -2.032 1.218 8.072 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.779 1.546 6.603 1.00 0.00 C ATOM 388 CG2 ILE A 37 -1.996 -0.294 8.269 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.586 0.595 5.723 1.00 0.00 C ATOM 0 H ILE A 37 -2.921 3.730 8.020 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.162 1.037 8.177 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.260 1.683 8.686 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.062 2.578 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.717 1.455 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.019 -0.676 7.974 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.176 -0.529 9.318 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.768 -0.759 7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.406 0.829 4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.282 -0.432 5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.648 0.708 5.943 1.00 0.00 H new ATOM 401 N ARG A 38 -4.599 1.491 10.587 1.00 0.00 N ATOM 402 CA ARG A 38 -4.796 1.596 12.019 1.00 0.00 C ATOM 403 C ARG A 38 -6.193 1.117 12.384 1.00 0.00 C ATOM 404 O ARG A 38 -6.394 0.536 13.448 1.00 0.00 O ATOM 405 CB ARG A 38 -4.590 3.044 12.454 1.00 0.00 C ATOM 406 CG ARG A 38 -3.283 3.160 13.234 1.00 0.00 C ATOM 407 CD ARG A 38 -2.313 4.059 12.471 1.00 0.00 C ATOM 408 NE ARG A 38 -1.926 5.217 13.276 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.480 6.360 12.737 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.375 6.476 11.406 1.00 0.00 N ATOM 411 NH2 ARG A 38 -1.140 7.386 13.528 1.00 0.00 N ATOM 0 H ARG A 38 -5.380 1.067 10.086 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.072 0.968 12.537 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.564 3.697 11.582 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.425 3.371 13.073 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.474 3.571 14.225 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.844 2.173 13.378 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.425 3.490 12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.777 4.395 11.544 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.999 5.152 14.291 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.634 5.695 10.804 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.036 7.346 10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.220 7.297 14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.801 8.256 13.117 1.00 0.00 H new ATOM 425 N ASP A 39 -7.161 1.362 11.497 1.00 0.00 N ATOM 426 CA ASP A 39 -8.532 0.956 11.730 1.00 0.00 C ATOM 427 C ASP A 39 -9.202 0.622 10.406 1.00 0.00 C ATOM 428 O ASP A 39 -9.053 1.354 9.430 1.00 0.00 O ATOM 429 CB ASP A 39 -9.279 2.078 12.447 1.00 0.00 C ATOM 430 CG ASP A 39 -8.379 2.769 13.461 1.00 0.00 C ATOM 431 OD1 ASP A 39 -7.607 2.043 14.123 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.480 4.012 13.555 1.00 0.00 O ATOM 0 H ASP A 39 -7.010 1.842 10.610 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.551 0.066 12.359 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.638 2.805 11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.156 1.672 12.951 1.00 0.00 H new ATOM 438 N ARG A 40 -9.942 -0.489 10.373 1.00 0.00 N ATOM 439 CA ARG A 40 -10.629 -0.915 9.170 1.00 0.00 C ATOM 440 C ARG A 40 -11.901 -1.664 9.541 1.00 0.00 C ATOM 441 O ARG A 40 -12.216 -1.812 10.720 1.00 0.00 O ATOM 442 CB ARG A 40 -9.702 -1.801 8.343 1.00 0.00 C ATOM 443 CG ARG A 40 -8.865 -0.930 7.410 1.00 0.00 C ATOM 444 CD ARG A 40 -9.416 -1.029 5.991 1.00 0.00 C ATOM 445 NE ARG A 40 -9.887 0.273 5.519 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.519 0.436 4.349 1.00 0.00 C ATOM 447 NH1 ARG A 40 -10.745 -0.621 3.556 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.926 1.655 3.970 1.00 0.00 N ATOM 0 H ARG A 40 -10.076 -1.106 11.174 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.904 -0.044 8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.052 -2.378 9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.286 -2.516 7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.885 0.106 7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.824 -1.252 7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.642 -1.404 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.235 -1.747 5.965 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.727 1.092 6.106 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.436 -1.550 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.226 -0.497 2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.755 2.460 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.407 1.778 3.079 1.00 0.00 H new ATOM 462 N MET A 41 -12.634 -2.137 8.530 1.00 0.00 N ATOM 463 CA MET A 41 -13.867 -2.866 8.758 1.00 0.00 C ATOM 464 C MET A 41 -13.873 -4.143 7.931 1.00 0.00 C ATOM 465 O MET A 41 -13.442 -4.144 6.780 1.00 0.00 O ATOM 466 CB MET A 41 -15.054 -1.980 8.392 1.00 0.00 C ATOM 467 CG MET A 41 -15.245 -0.915 9.468 1.00 0.00 C ATOM 468 SD MET A 41 -16.976 -0.490 9.783 1.00 0.00 S ATOM 469 CE MET A 41 -17.522 -2.041 10.539 1.00 0.00 C ATOM 0 H MET A 41 -12.388 -2.024 7.547 1.00 0.00 H new ATOM 0 HA MET A 41 -13.943 -3.139 9.811 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.884 -1.508 7.424 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.957 -2.584 8.298 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.793 -1.265 10.396 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.708 -0.014 9.172 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.432 -1.866 11.113 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.721 -2.776 9.759 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.742 -2.417 11.201 1.00 0.00 H new ATOM 479 N TRP A 42 -14.365 -5.236 8.521 1.00 0.00 N ATOM 480 CA TRP A 42 -14.425 -6.510 7.834 1.00 0.00 C ATOM 481 C TRP A 42 -15.341 -7.463 8.588 1.00 0.00 C ATOM 482 O TRP A 42 -15.336 -7.491 9.817 1.00 0.00 O ATOM 483 CB TRP A 42 -13.019 -7.091 7.716 1.00 0.00 C ATOM 484 CG TRP A 42 -12.937 -8.403 7.005 1.00 0.00 C ATOM 485 CD1 TRP A 42 -12.371 -9.525 7.500 1.00 0.00 C ATOM 486 CD2 TRP A 42 -13.426 -8.756 5.675 1.00 0.00 C ATOM 487 NE1 TRP A 42 -12.474 -10.542 6.574 1.00 0.00 N ATOM 488 CE2 TRP A 42 -13.118 -10.122 5.428 1.00 0.00 C ATOM 489 CE3 TRP A 42 -14.098 -8.063 4.652 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -13.456 -10.764 4.234 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -14.442 -8.699 3.450 1.00 0.00 C ATOM 492 CH2 TRP A 42 -14.124 -10.045 3.238 1.00 0.00 C ATOM 0 H TRP A 42 -14.726 -5.254 9.475 1.00 0.00 H new ATOM 0 HA TRP A 42 -14.830 -6.367 6.832 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -12.387 -6.372 7.195 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.606 -7.211 8.718 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.909 -9.612 8.472 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.118 -11.487 6.718 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -14.354 -7.023 4.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -13.204 -11.803 4.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -14.958 -8.144 2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -14.393 -10.526 2.309 1.00 0.00 H new ATOM 503 N LEU A 43 -16.130 -8.246 7.848 1.00 0.00 N ATOM 504 CA LEU A 43 -17.046 -9.195 8.448 1.00 0.00 C ATOM 505 C LEU A 43 -18.129 -8.452 9.217 1.00 0.00 C ATOM 506 O LEU A 43 -18.760 -9.017 10.108 1.00 0.00 O ATOM 507 CB LEU A 43 -16.274 -10.132 9.372 1.00 0.00 C ATOM 508 CG LEU A 43 -15.913 -11.408 8.617 1.00 0.00 C ATOM 509 CD1 LEU A 43 -14.408 -11.443 8.367 1.00 0.00 C ATOM 510 CD2 LEU A 43 -16.320 -12.622 9.446 1.00 0.00 C ATOM 0 H LEU A 43 -16.146 -8.234 6.828 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.524 -9.787 7.668 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.370 -9.641 9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.876 -10.373 10.248 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.440 -11.427 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.150 -12.354 7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.117 -10.576 7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -13.880 -11.424 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.062 -13.534 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.794 -12.604 10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.395 -12.597 9.624 1.00 0.00 H new ATOM 522 N LYS A 44 -18.345 -7.181 8.870 1.00 0.00 N ATOM 523 CA LYS A 44 -19.350 -6.370 9.529 1.00 0.00 C ATOM 524 C LYS A 44 -18.871 -5.981 10.920 1.00 0.00 C ATOM 525 O LYS A 44 -19.672 -5.602 11.772 1.00 0.00 O ATOM 526 CB LYS A 44 -20.660 -7.149 9.607 1.00 0.00 C ATOM 527 CG LYS A 44 -21.603 -6.668 8.507 1.00 0.00 C ATOM 528 CD LYS A 44 -22.920 -6.214 9.129 1.00 0.00 C ATOM 529 CE LYS A 44 -23.884 -5.789 8.025 1.00 0.00 C ATOM 530 NZ LYS A 44 -24.584 -6.953 7.459 1.00 0.00 N ATOM 0 H LYS A 44 -17.831 -6.698 8.133 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.518 -5.458 8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.468 -8.216 9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.122 -7.008 10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.146 -5.846 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.784 -7.470 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -23.356 -7.023 9.715 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.744 -5.384 9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -24.611 -5.082 8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -23.336 -5.272 7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.233 -6.637 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.889 -7.615 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -25.125 -7.431 8.208 1.00 0.00 H new ATOM 544 N ILE A 45 -17.558 -6.075 11.149 1.00 0.00 N ATOM 545 CA ILE A 45 -16.978 -5.732 12.431 1.00 0.00 C ATOM 546 C ILE A 45 -15.972 -4.603 12.256 1.00 0.00 C ATOM 547 O ILE A 45 -15.765 -4.121 11.145 1.00 0.00 O ATOM 548 CB ILE A 45 -16.309 -6.965 13.032 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.004 -8.223 12.518 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.414 -6.911 14.553 1.00 0.00 C ATOM 551 CD1 ILE A 45 -18.421 -8.286 13.080 1.00 0.00 C ATOM 0 H ILE A 45 -16.882 -6.389 10.453 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.760 -5.393 13.110 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.259 -6.986 12.741 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.033 -8.216 11.428 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.443 -9.109 12.816 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.936 -7.792 14.982 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.917 -6.013 14.920 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.464 -6.890 14.845 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -18.918 -9.184 12.713 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -18.380 -8.313 14.169 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -18.979 -7.406 12.760 1.00 0.00 H new ATOM 563 N THR A 46 -15.345 -4.181 13.357 1.00 0.00 N ATOM 564 CA THR A 46 -14.367 -3.114 13.314 1.00 0.00 C ATOM 565 C THR A 46 -13.094 -3.547 14.028 1.00 0.00 C ATOM 566 O THR A 46 -13.152 -4.110 15.119 1.00 0.00 O ATOM 567 CB THR A 46 -14.951 -1.863 13.964 1.00 0.00 C ATOM 568 OG1 THR A 46 -15.971 -1.340 13.142 1.00 0.00 O ATOM 569 CG2 THR A 46 -13.852 -0.818 14.137 1.00 0.00 C ATOM 0 H THR A 46 -15.504 -4.569 14.287 1.00 0.00 H new ATOM 0 HA THR A 46 -14.118 -2.888 12.277 1.00 0.00 H new ATOM 0 HB THR A 46 -15.364 -2.120 14.939 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.830 -1.740 13.392 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.269 0.076 14.601 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.063 -1.222 14.771 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.438 -0.561 13.162 1.00 0.00 H new ATOM 577 N ILE A 47 -11.942 -3.283 13.407 1.00 0.00 N ATOM 578 CA ILE A 47 -10.662 -3.644 13.983 1.00 0.00 C ATOM 579 C ILE A 47 -9.819 -2.392 14.188 1.00 0.00 C ATOM 580 O ILE A 47 -10.091 -1.354 13.590 1.00 0.00 O ATOM 581 CB ILE A 47 -9.950 -4.630 13.061 1.00 0.00 C ATOM 582 CG1 ILE A 47 -10.755 -5.924 12.982 1.00 0.00 C ATOM 583 CG2 ILE A 47 -8.559 -4.929 13.614 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.833 -5.788 11.911 1.00 0.00 C ATOM 0 H ILE A 47 -11.879 -2.818 12.501 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.815 -4.119 14.952 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.860 -4.197 12.065 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.097 -6.760 12.747 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.212 -6.140 13.948 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.050 -5.633 12.956 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.984 -4.005 13.671 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.649 -5.363 14.610 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.408 -6.712 11.854 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.497 -4.962 12.166 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.365 -5.592 10.946 1.00 0.00 H new ATOM 596 N ALA A 48 -8.795 -2.493 15.038 1.00 0.00 N ATOM 597 CA ALA A 48 -7.921 -1.372 15.318 1.00 0.00 C ATOM 598 C ALA A 48 -6.546 -1.628 14.717 1.00 0.00 C ATOM 599 O ALA A 48 -5.530 -1.432 15.381 1.00 0.00 O ATOM 600 CB ALA A 48 -7.822 -1.170 16.828 1.00 0.00 C ATOM 0 H ALA A 48 -8.557 -3.347 15.542 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.329 -0.466 14.869 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.165 -0.327 17.040 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.813 -0.968 17.234 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.417 -2.071 17.290 1.00 0.00 H new ATOM 606 N ASN A 49 -6.515 -2.066 13.457 1.00 0.00 N ATOM 607 CA ASN A 49 -5.266 -2.344 12.776 1.00 0.00 C ATOM 608 C ASN A 49 -5.475 -3.433 11.734 1.00 0.00 C ATOM 609 O ASN A 49 -5.514 -4.616 12.067 1.00 0.00 O ATOM 610 CB ASN A 49 -4.216 -2.769 13.798 1.00 0.00 C ATOM 611 CG ASN A 49 -3.322 -1.597 14.177 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.297 -0.583 13.483 1.00 0.00 O ATOM 613 ND2 ASN A 49 -2.587 -1.736 15.283 1.00 0.00 N ATOM 0 H ASN A 49 -7.348 -2.234 12.893 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.918 -1.445 12.267 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.707 -3.160 14.689 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.610 -3.577 13.388 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.971 -0.981 15.584 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.642 -2.597 15.827 1.00 0.00 H new ATOM 620 N ALA A 50 -5.609 -3.031 10.468 1.00 0.00 N ATOM 621 CA ALA A 50 -5.814 -3.972 9.384 1.00 0.00 C ATOM 622 C ALA A 50 -5.569 -3.282 8.050 1.00 0.00 C ATOM 623 O ALA A 50 -5.776 -2.077 7.925 1.00 0.00 O ATOM 624 CB ALA A 50 -7.234 -4.526 9.455 1.00 0.00 C ATOM 0 H ALA A 50 -5.578 -2.054 10.176 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.111 -4.800 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.390 -5.234 8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.380 -5.033 10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.949 -3.708 9.366 1.00 0.00 H new ATOM 630 N VAL A 51 -5.127 -4.050 7.051 1.00 0.00 N ATOM 631 CA VAL A 51 -4.857 -3.510 5.734 1.00 0.00 C ATOM 632 C VAL A 51 -4.271 -4.597 4.843 1.00 0.00 C ATOM 633 O VAL A 51 -4.732 -4.798 3.722 1.00 0.00 O ATOM 634 CB VAL A 51 -3.894 -2.332 5.855 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.687 -1.029 5.898 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.077 -2.473 7.136 1.00 0.00 C ATOM 0 H VAL A 51 -4.951 -5.051 7.139 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.785 -3.158 5.283 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.224 -2.321 4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.000 -0.187 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.271 -0.928 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.358 -1.039 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.389 -1.632 7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.747 -2.484 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.510 -3.404 7.106 1.00 0.00 H new ATOM 646 N ILE A 52 -3.252 -5.297 5.346 1.00 0.00 N ATOM 647 CA ILE A 52 -2.609 -6.359 4.597 1.00 0.00 C ATOM 648 C ILE A 52 -2.184 -5.842 3.231 1.00 0.00 C ATOM 649 O ILE A 52 -2.515 -4.717 2.860 1.00 0.00 O ATOM 650 CB ILE A 52 -3.572 -7.535 4.456 1.00 0.00 C ATOM 651 CG1 ILE A 52 -2.778 -8.834 4.354 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.414 -7.354 3.196 1.00 0.00 C ATOM 653 CD1 ILE A 52 -3.676 -10.010 4.726 1.00 0.00 C ATOM 0 H ILE A 52 -2.859 -5.140 6.274 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.719 -6.697 5.128 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.225 -7.576 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.396 -8.961 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.914 -8.798 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.102 -8.193 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.982 -6.426 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.761 -7.313 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.109 -10.938 4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.036 -9.884 5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.525 -10.049 4.044 1.00 0.00 H new ATOM 665 N GLY A 53 -1.448 -6.664 2.480 1.00 0.00 N ATOM 666 CA GLY A 53 -0.984 -6.281 1.161 1.00 0.00 C ATOM 667 C GLY A 53 -2.168 -5.970 0.256 1.00 0.00 C ATOM 668 O GLY A 53 -2.054 -5.162 -0.663 1.00 0.00 O ATOM 0 H GLY A 53 -1.164 -7.600 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.335 -5.409 1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.389 -7.086 0.729 1.00 0.00 H new ATOM 672 N ALA A 54 -3.307 -6.616 0.518 1.00 0.00 N ATOM 673 CA ALA A 54 -4.503 -6.408 -0.273 1.00 0.00 C ATOM 674 C ALA A 54 -4.824 -4.922 -0.340 1.00 0.00 C ATOM 675 O ALA A 54 -4.854 -4.340 -1.422 1.00 0.00 O ATOM 676 CB ALA A 54 -5.662 -7.185 0.346 1.00 0.00 C ATOM 0 H ALA A 54 -3.417 -7.288 1.277 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.341 -6.770 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.563 -7.030 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.419 -8.247 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.833 -6.834 1.364 1.00 0.00 H new ATOM 682 N ASP A 55 -5.066 -4.308 0.821 1.00 0.00 N ATOM 683 CA ASP A 55 -5.385 -2.896 0.887 1.00 0.00 C ATOM 684 C ASP A 55 -4.184 -2.076 0.438 1.00 0.00 C ATOM 685 O ASP A 55 -4.324 -1.153 -0.360 1.00 0.00 O ATOM 686 CB ASP A 55 -5.786 -2.533 2.313 1.00 0.00 C ATOM 687 CG ASP A 55 -6.864 -1.458 2.318 1.00 0.00 C ATOM 688 OD1 ASP A 55 -6.858 -0.645 1.369 1.00 0.00 O ATOM 689 OD2 ASP A 55 -7.673 -1.470 3.270 1.00 0.00 O ATOM 0 H ASP A 55 -5.045 -4.777 1.727 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.220 -2.675 0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.150 -3.421 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.913 -2.180 2.862 1.00 0.00 H new ATOM 695 N VAL A 56 -3.000 -2.415 0.954 1.00 0.00 N ATOM 696 CA VAL A 56 -1.783 -1.710 0.605 1.00 0.00 C ATOM 697 C VAL A 56 -1.665 -1.605 -0.908 1.00 0.00 C ATOM 698 O VAL A 56 -1.146 -0.618 -1.425 1.00 0.00 O ATOM 699 CB VAL A 56 -0.583 -2.448 1.191 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.690 -1.658 0.905 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.763 -2.594 2.700 1.00 0.00 C ATOM 0 H VAL A 56 -2.867 -3.178 1.617 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.810 -0.702 1.019 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.507 -3.436 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.547 -2.185 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.819 -1.553 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.615 -0.670 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.094 -3.121 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.839 -1.606 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.672 -3.159 2.905 1.00 0.00 H new ATOM 711 N VAL A 57 -2.150 -2.626 -1.619 1.00 0.00 N ATOM 712 CA VAL A 57 -2.097 -2.643 -3.067 1.00 0.00 C ATOM 713 C VAL A 57 -3.136 -1.685 -3.631 1.00 0.00 C ATOM 714 O VAL A 57 -2.788 -0.694 -4.268 1.00 0.00 O ATOM 715 CB VAL A 57 -2.342 -4.064 -3.567 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.533 -4.045 -5.081 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.143 -4.941 -3.217 1.00 0.00 C ATOM 0 H VAL A 57 -2.584 -3.451 -1.205 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.112 -2.319 -3.404 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.237 -4.466 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.708 -5.060 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.389 -3.419 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.638 -3.642 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.318 -5.956 -3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.247 -4.539 -3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.006 -4.955 -2.136 1.00 0.00 H new ATOM 727 N ASP A 58 -4.416 -1.984 -3.396 1.00 0.00 N ATOM 728 CA ASP A 58 -5.497 -1.150 -3.882 1.00 0.00 C ATOM 729 C ASP A 58 -5.122 0.318 -3.733 1.00 0.00 C ATOM 730 O ASP A 58 -5.573 1.157 -4.508 1.00 0.00 O ATOM 731 CB ASP A 58 -6.771 -1.464 -3.102 1.00 0.00 C ATOM 732 CG ASP A 58 -7.931 -1.743 -4.046 1.00 0.00 C ATOM 733 OD1 ASP A 58 -8.546 -0.753 -4.498 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.181 -2.942 -4.299 1.00 0.00 O ATOM 0 H ASP A 58 -4.721 -2.803 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.673 -1.355 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.605 -2.328 -2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.020 -0.626 -2.452 1.00 0.00 H new ATOM 740 N TRP A 59 -4.293 0.627 -2.733 1.00 0.00 N ATOM 741 CA TRP A 59 -3.864 1.990 -2.493 1.00 0.00 C ATOM 742 C TRP A 59 -2.698 2.335 -3.408 1.00 0.00 C ATOM 743 O TRP A 59 -2.769 3.293 -4.175 1.00 0.00 O ATOM 744 CB TRP A 59 -3.467 2.148 -1.028 1.00 0.00 C ATOM 745 CG TRP A 59 -3.257 3.559 -0.581 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.227 4.391 -0.144 1.00 0.00 C ATOM 747 CD2 TRP A 59 -2.016 4.325 -0.518 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.675 5.612 0.183 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.312 5.626 -0.029 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.670 4.054 -0.823 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.329 6.604 0.148 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.324 5.028 -0.650 1.00 0.00 C ATOM 753 CH2 TRP A 59 -0.001 6.301 -0.166 1.00 0.00 C ATOM 0 H TRP A 59 -3.910 -0.056 -2.080 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.684 2.675 -2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.240 1.697 -0.406 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.549 1.586 -0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.274 4.139 -0.063 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.208 6.406 0.538 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.397 3.078 -1.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.592 7.582 0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.350 4.794 -0.892 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.771 7.045 -0.036 1.00 0.00 H new ATOM 764 N LEU A 60 -1.621 1.550 -3.326 1.00 0.00 N ATOM 765 CA LEU A 60 -0.446 1.774 -4.145 1.00 0.00 C ATOM 766 C LEU A 60 -0.865 2.221 -5.538 1.00 0.00 C ATOM 767 O LEU A 60 -0.264 3.128 -6.109 1.00 0.00 O ATOM 768 CB LEU A 60 0.377 0.491 -4.214 1.00 0.00 C ATOM 769 CG LEU A 60 1.236 0.371 -2.958 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.715 -1.070 -2.806 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.442 1.298 -3.076 1.00 0.00 C ATOM 0 H LEU A 60 -1.547 0.752 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 60 0.166 2.560 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.282 -0.373 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.010 0.499 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 60 0.646 0.652 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.329 -1.157 -1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.854 -1.733 -2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.305 -1.351 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.056 1.213 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.033 1.017 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.100 2.327 -3.185 1.00 0.00 H new ATOM 783 N TYR A 61 -1.901 1.581 -6.086 1.00 0.00 N ATOM 784 CA TYR A 61 -2.392 1.916 -7.408 1.00 0.00 C ATOM 785 C TYR A 61 -3.322 3.118 -7.324 1.00 0.00 C ATOM 786 O TYR A 61 -3.092 4.130 -7.982 1.00 0.00 O ATOM 787 CB TYR A 61 -3.118 0.710 -7.999 1.00 0.00 C ATOM 788 CG TYR A 61 -3.690 0.965 -9.373 1.00 0.00 C ATOM 789 CD1 TYR A 61 -4.779 1.831 -9.529 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.130 0.336 -10.492 1.00 0.00 C ATOM 791 CE1 TYR A 61 -5.308 2.068 -10.803 1.00 0.00 C ATOM 792 CE2 TYR A 61 -3.660 0.573 -11.766 1.00 0.00 C ATOM 793 CZ TYR A 61 -4.749 1.439 -11.921 1.00 0.00 C ATOM 794 OH TYR A 61 -5.265 1.670 -13.163 1.00 0.00 O ATOM 0 H TYR A 61 -2.412 0.827 -5.626 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.555 2.175 -8.057 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.426 -0.130 -8.053 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.925 0.416 -7.327 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.211 2.316 -8.666 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.290 -0.332 -10.372 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.148 2.736 -10.923 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.229 0.088 -12.629 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.760 1.156 -13.828 1.00 0.00 H new ATOM 804 N THR A 62 -4.376 3.005 -6.513 1.00 0.00 N ATOM 805 CA THR A 62 -5.330 4.083 -6.350 1.00 0.00 C ATOM 806 C THR A 62 -4.605 5.364 -5.963 1.00 0.00 C ATOM 807 O THR A 62 -5.173 6.451 -6.045 1.00 0.00 O ATOM 808 CB THR A 62 -6.354 3.699 -5.285 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.107 2.595 -5.735 1.00 0.00 O ATOM 810 CG2 THR A 62 -7.286 4.879 -5.026 1.00 0.00 C ATOM 0 H THR A 62 -4.583 2.172 -5.961 1.00 0.00 H new ATOM 0 HA THR A 62 -5.851 4.256 -7.292 1.00 0.00 H new ATOM 0 HB THR A 62 -5.838 3.435 -4.362 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.638 1.765 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.017 4.605 -4.266 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.704 5.733 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.803 5.143 -5.948 1.00 0.00 H new ATOM 818 N HIS A 63 -3.345 5.235 -5.541 1.00 0.00 N ATOM 819 CA HIS A 63 -2.553 6.382 -5.144 1.00 0.00 C ATOM 820 C HIS A 63 -1.598 6.767 -6.264 1.00 0.00 C ATOM 821 O HIS A 63 -1.796 7.780 -6.931 1.00 0.00 O ATOM 822 CB HIS A 63 -1.784 6.050 -3.868 1.00 0.00 C ATOM 823 CG HIS A 63 -1.747 7.198 -2.898 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.735 8.122 -2.772 1.00 0.00 N ATOM 825 CD2 HIS A 63 -2.714 7.512 -1.981 1.00 0.00 C ATOM 826 CE1 HIS A 63 -1.091 8.975 -1.795 1.00 0.00 C ATOM 827 NE2 HIS A 63 -2.288 8.646 -1.282 1.00 0.00 N ATOM 0 H HIS A 63 -2.858 4.342 -5.468 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.209 7.230 -4.949 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.243 5.187 -3.386 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.764 5.765 -4.127 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.640 6.979 -1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.494 9.813 -1.467 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.786 9.127 -0.533 1.00 0.00 H new ATOM 835 N VAL A 64 -0.558 5.955 -6.469 1.00 0.00 N ATOM 836 CA VAL A 64 0.422 6.213 -7.505 1.00 0.00 C ATOM 837 C VAL A 64 0.358 5.116 -8.558 1.00 0.00 C ATOM 838 O VAL A 64 -0.491 4.230 -8.485 1.00 0.00 O ATOM 839 CB VAL A 64 1.813 6.285 -6.882 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.828 7.356 -5.795 1.00 0.00 C ATOM 841 CG2 VAL A 64 2.166 4.933 -6.269 1.00 0.00 C ATOM 0 H VAL A 64 -0.380 5.112 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 64 0.206 7.166 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 64 2.543 6.537 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.821 7.408 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.575 8.322 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.098 7.104 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.160 4.984 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.436 4.681 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.155 4.168 -7.045 1.00 0.00 H new ATOM 851 N GLU A 65 1.260 5.175 -9.541 1.00 0.00 N ATOM 852 CA GLU A 65 1.301 4.187 -10.600 1.00 0.00 C ATOM 853 C GLU A 65 2.742 3.929 -11.015 1.00 0.00 C ATOM 854 O GLU A 65 3.654 4.615 -10.560 1.00 0.00 O ATOM 855 CB GLU A 65 0.476 4.680 -11.785 1.00 0.00 C ATOM 856 CG GLU A 65 0.974 6.056 -12.214 1.00 0.00 C ATOM 857 CD GLU A 65 0.874 6.224 -13.724 1.00 0.00 C ATOM 858 OE1 GLU A 65 -0.188 6.708 -14.172 1.00 0.00 O ATOM 859 OE2 GLU A 65 1.861 5.865 -14.401 1.00 0.00 O ATOM 0 H GLU A 65 1.970 5.903 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 65 0.877 3.249 -10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.556 3.978 -12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.578 4.732 -11.512 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.388 6.830 -11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.009 6.188 -11.897 1.00 0.00 H new ATOM 867 N GLY A 66 2.946 2.937 -11.885 1.00 0.00 N ATOM 868 CA GLY A 66 4.275 2.598 -12.355 1.00 0.00 C ATOM 869 C GLY A 66 4.388 1.097 -12.581 1.00 0.00 C ATOM 870 O GLY A 66 5.312 0.634 -13.246 1.00 0.00 O ATOM 0 H GLY A 66 2.201 2.359 -12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.487 3.129 -13.283 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.019 2.920 -11.626 1.00 0.00 H new ATOM 874 N PHE A 67 3.443 0.335 -12.025 1.00 0.00 N ATOM 875 CA PHE A 67 3.442 -1.107 -12.169 1.00 0.00 C ATOM 876 C PHE A 67 2.709 -1.498 -13.445 1.00 0.00 C ATOM 877 O PHE A 67 1.603 -1.026 -13.697 1.00 0.00 O ATOM 878 CB PHE A 67 2.779 -1.738 -10.948 1.00 0.00 C ATOM 879 CG PHE A 67 3.412 -1.330 -9.640 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.789 -1.493 -9.447 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.622 -0.786 -8.620 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.376 -1.112 -8.234 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.209 -0.406 -7.407 1.00 0.00 C ATOM 884 CZ PHE A 67 4.586 -0.569 -7.214 1.00 0.00 C ATOM 0 H PHE A 67 2.670 0.703 -11.471 1.00 0.00 H new ATOM 0 HA PHE A 67 4.467 -1.471 -12.238 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.725 -1.462 -10.934 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.823 -2.823 -11.041 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.399 -1.913 -10.234 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.560 -0.660 -8.769 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.438 -1.237 -8.085 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.599 0.013 -6.620 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.039 -0.276 -6.278 1.00 0.00 H new ATOM 894 N LYS A 68 3.329 -2.363 -14.250 1.00 0.00 N ATOM 895 CA LYS A 68 2.733 -2.812 -15.492 1.00 0.00 C ATOM 896 C LYS A 68 1.235 -3.007 -15.307 1.00 0.00 C ATOM 897 O LYS A 68 0.434 -2.347 -15.965 1.00 0.00 O ATOM 898 CB LYS A 68 3.397 -4.113 -15.934 1.00 0.00 C ATOM 899 CG LYS A 68 4.629 -3.794 -16.777 1.00 0.00 C ATOM 900 CD LYS A 68 5.882 -3.917 -15.914 1.00 0.00 C ATOM 901 CE LYS A 68 7.119 -3.687 -16.778 1.00 0.00 C ATOM 902 NZ LYS A 68 8.322 -4.235 -16.133 1.00 0.00 N ATOM 0 H LYS A 68 4.247 -2.763 -14.055 1.00 0.00 H new ATOM 0 HA LYS A 68 2.888 -2.059 -16.265 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.682 -4.703 -15.063 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.694 -4.715 -16.510 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.690 -4.477 -17.624 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.553 -2.786 -17.185 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.851 -3.189 -15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.925 -4.904 -15.454 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.979 -4.156 -17.752 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.251 -2.619 -16.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.149 -4.066 -16.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.466 -3.769 -15.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.203 -5.258 -15.988 1.00 0.00 H new ATOM 916 N GLU A 69 0.857 -3.918 -14.407 1.00 0.00 N ATOM 917 CA GLU A 69 -0.541 -4.192 -14.141 1.00 0.00 C ATOM 918 C GLU A 69 -0.699 -4.783 -12.747 1.00 0.00 C ATOM 919 O GLU A 69 0.241 -4.773 -11.956 1.00 0.00 O ATOM 920 CB GLU A 69 -1.079 -5.152 -15.199 1.00 0.00 C ATOM 921 CG GLU A 69 -2.524 -4.788 -15.527 1.00 0.00 C ATOM 922 CD GLU A 69 -2.754 -4.777 -17.032 1.00 0.00 C ATOM 923 OE1 GLU A 69 -1.920 -5.386 -17.737 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.758 -4.160 -17.448 1.00 0.00 O ATOM 0 H GLU A 69 1.508 -4.475 -13.853 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.111 -3.264 -14.185 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.466 -5.099 -16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.025 -6.178 -14.836 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.199 -5.504 -15.057 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.759 -3.808 -15.112 1.00 0.00 H new ATOM 932 N ARG A 70 -1.893 -5.300 -12.449 1.00 0.00 N ATOM 933 CA ARG A 70 -2.169 -5.891 -11.155 1.00 0.00 C ATOM 934 C ARG A 70 -1.013 -6.792 -10.743 1.00 0.00 C ATOM 935 O ARG A 70 -0.793 -7.018 -9.555 1.00 0.00 O ATOM 936 CB ARG A 70 -3.472 -6.682 -11.226 1.00 0.00 C ATOM 937 CG ARG A 70 -4.387 -6.259 -10.081 1.00 0.00 C ATOM 938 CD ARG A 70 -5.799 -6.776 -10.339 1.00 0.00 C ATOM 939 NE ARG A 70 -5.950 -8.151 -9.864 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.136 -8.679 -9.533 1.00 0.00 C ATOM 941 NH1 ARG A 70 -8.250 -7.940 -9.634 1.00 0.00 N ATOM 942 NH2 ARG A 70 -7.210 -9.946 -9.102 1.00 0.00 N ATOM 0 H ARG A 70 -2.682 -5.317 -13.095 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.276 -5.106 -10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.964 -6.507 -12.183 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.265 -7.750 -11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.011 -6.653 -9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.397 -5.173 -9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.522 -6.133 -9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.017 -6.730 -11.406 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.116 -8.733 -9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.194 -6.976 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.153 -8.342 -9.382 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.363 -10.509 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.113 -10.347 -8.850 1.00 0.00 H new ATOM 956 N ARG A 71 -0.275 -7.307 -11.729 1.00 0.00 N ATOM 957 CA ARG A 71 0.852 -8.180 -11.465 1.00 0.00 C ATOM 958 C ARG A 71 1.963 -7.395 -10.783 1.00 0.00 C ATOM 959 O ARG A 71 2.212 -7.575 -9.593 1.00 0.00 O ATOM 960 CB ARG A 71 1.344 -8.784 -12.777 1.00 0.00 C ATOM 961 CG ARG A 71 0.177 -9.451 -13.500 1.00 0.00 C ATOM 962 CD ARG A 71 -0.160 -10.771 -12.812 1.00 0.00 C ATOM 963 NE ARG A 71 -0.049 -11.892 -13.746 1.00 0.00 N ATOM 964 CZ ARG A 71 0.024 -13.168 -13.343 1.00 0.00 C ATOM 965 NH1 ARG A 71 -0.005 -13.460 -12.035 1.00 0.00 N ATOM 966 NH2 ARG A 71 0.125 -14.152 -14.247 1.00 0.00 N ATOM 0 H ARG A 71 -0.445 -7.129 -12.719 1.00 0.00 H new ATOM 0 HA ARG A 71 0.544 -8.988 -10.801 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.780 -8.008 -13.406 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.130 -9.514 -12.582 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.692 -8.793 -13.494 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.436 -9.628 -14.544 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.512 -10.928 -11.969 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.172 -10.727 -12.409 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.026 -11.694 -14.746 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.083 -12.711 -11.347 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.051 -14.431 -11.728 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.146 -13.930 -15.242 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.181 -15.123 -13.940 1.00 0.00 H new ATOM 980 N GLU A 72 2.632 -6.522 -11.540 1.00 0.00 N ATOM 981 CA GLU A 72 3.710 -5.716 -11.002 1.00 0.00 C ATOM 982 C GLU A 72 3.304 -5.140 -9.652 1.00 0.00 C ATOM 983 O GLU A 72 4.108 -5.105 -8.723 1.00 0.00 O ATOM 984 CB GLU A 72 4.049 -4.600 -11.986 1.00 0.00 C ATOM 985 CG GLU A 72 4.876 -5.169 -13.135 1.00 0.00 C ATOM 986 CD GLU A 72 6.151 -5.818 -12.617 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.203 -7.067 -12.642 1.00 0.00 O ATOM 988 OE2 GLU A 72 7.050 -5.054 -12.204 1.00 0.00 O ATOM 0 H GLU A 72 2.439 -6.361 -12.529 1.00 0.00 H new ATOM 0 HA GLU A 72 4.594 -6.337 -10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.134 -4.149 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.605 -3.811 -11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.286 -5.903 -13.684 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.127 -4.373 -13.836 1.00 0.00 H new ATOM 996 N ALA A 73 2.053 -4.689 -9.547 1.00 0.00 N ATOM 997 CA ALA A 73 1.547 -4.118 -8.315 1.00 0.00 C ATOM 998 C ALA A 73 1.695 -5.123 -7.182 1.00 0.00 C ATOM 999 O ALA A 73 2.314 -4.826 -6.163 1.00 0.00 O ATOM 1000 CB ALA A 73 0.085 -3.723 -8.501 1.00 0.00 C ATOM 0 H ALA A 73 1.375 -4.712 -10.309 1.00 0.00 H new ATOM 0 HA ALA A 73 2.120 -3.227 -8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.296 -3.293 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.006 -2.988 -9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.500 -4.605 -8.760 1.00 0.00 H new ATOM 1006 N ARG A 74 1.123 -6.316 -7.362 1.00 0.00 N ATOM 1007 CA ARG A 74 1.192 -7.357 -6.356 1.00 0.00 C ATOM 1008 C ARG A 74 2.645 -7.733 -6.102 1.00 0.00 C ATOM 1009 O ARG A 74 2.989 -8.191 -5.015 1.00 0.00 O ATOM 1010 CB ARG A 74 0.394 -8.570 -6.826 1.00 0.00 C ATOM 1011 CG ARG A 74 0.100 -9.477 -5.634 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.066 -10.401 -5.974 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.596 -11.619 -6.635 1.00 0.00 N ATOM 1014 CZ ARG A 74 -1.297 -12.760 -6.637 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -2.483 -12.819 -6.016 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -0.813 -13.844 -7.260 1.00 0.00 N ATOM 0 H ARG A 74 0.607 -6.577 -8.202 1.00 0.00 H new ATOM 0 HA ARG A 74 0.762 -6.995 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.538 -8.248 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.955 -9.117 -7.583 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.983 -10.065 -5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.142 -8.876 -4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.605 -10.662 -5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.770 -9.880 -6.623 1.00 0.00 H new ATOM 0 HE ARG A 74 0.304 -11.598 -7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.852 -11.995 -5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.017 -13.688 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.090 -13.800 -7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.347 -14.713 -7.261 1.00 0.00 H new ATOM 1030 N LYS A 75 3.499 -7.538 -7.110 1.00 0.00 N ATOM 1031 CA LYS A 75 4.908 -7.856 -6.989 1.00 0.00 C ATOM 1032 C LYS A 75 5.555 -6.956 -5.946 1.00 0.00 C ATOM 1033 O LYS A 75 6.335 -7.422 -5.119 1.00 0.00 O ATOM 1034 CB LYS A 75 5.585 -7.686 -8.345 1.00 0.00 C ATOM 1035 CG LYS A 75 5.899 -9.059 -8.933 1.00 0.00 C ATOM 1036 CD LYS A 75 7.085 -8.946 -9.886 1.00 0.00 C ATOM 1037 CE LYS A 75 6.910 -9.934 -11.036 1.00 0.00 C ATOM 1038 NZ LYS A 75 8.188 -10.574 -11.382 1.00 0.00 N ATOM 0 H LYS A 75 3.230 -7.160 -8.018 1.00 0.00 H new ATOM 0 HA LYS A 75 5.024 -8.891 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.935 -7.129 -9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.502 -7.107 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.127 -9.765 -8.134 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.029 -9.447 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.158 -7.930 -10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.014 -9.152 -9.354 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.182 -10.696 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.511 -9.415 -11.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.041 -11.241 -12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.874 -9.847 -11.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.554 -11.088 -10.555 1.00 0.00 H new ATOM 1052 N TYR A 76 5.229 -5.662 -5.987 1.00 0.00 N ATOM 1053 CA TYR A 76 5.781 -4.706 -5.049 1.00 0.00 C ATOM 1054 C TYR A 76 5.258 -4.995 -3.649 1.00 0.00 C ATOM 1055 O TYR A 76 6.035 -5.096 -2.702 1.00 0.00 O ATOM 1056 CB TYR A 76 5.406 -3.293 -5.485 1.00 0.00 C ATOM 1057 CG TYR A 76 6.101 -2.212 -4.692 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.402 -1.822 -5.030 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.443 -1.600 -3.618 1.00 0.00 C ATOM 1060 CE1 TYR A 76 8.046 -0.820 -4.295 1.00 0.00 C ATOM 1061 CE2 TYR A 76 6.088 -0.598 -2.882 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.389 -0.208 -3.221 1.00 0.00 C ATOM 1063 OH TYR A 76 8.017 0.768 -2.504 1.00 0.00 O ATOM 0 H TYR A 76 4.582 -5.260 -6.666 1.00 0.00 H new ATOM 0 HA TYR A 76 6.868 -4.792 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.649 -3.171 -6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.328 -3.166 -5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.909 -2.294 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.439 -1.900 -3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.050 -0.519 -4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.582 -0.126 -2.053 1.00 0.00 H new ATOM 0 HH TYR A 76 8.722 1.173 -3.051 1.00 0.00 H new ATOM 1073 N ALA A 77 3.936 -5.129 -3.520 1.00 0.00 N ATOM 1074 CA ALA A 77 3.317 -5.405 -2.240 1.00 0.00 C ATOM 1075 C ALA A 77 4.008 -6.588 -1.577 1.00 0.00 C ATOM 1076 O ALA A 77 4.372 -6.520 -0.406 1.00 0.00 O ATOM 1077 CB ALA A 77 1.832 -5.691 -2.445 1.00 0.00 C ATOM 0 H ALA A 77 3.279 -5.049 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 77 3.420 -4.538 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.365 -5.899 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.354 -4.824 -2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.715 -6.555 -3.099 1.00 0.00 H new ATOM 1083 N SER A 78 4.187 -7.676 -2.331 1.00 0.00 N ATOM 1084 CA SER A 78 4.832 -8.865 -1.813 1.00 0.00 C ATOM 1085 C SER A 78 6.210 -8.511 -1.271 1.00 0.00 C ATOM 1086 O SER A 78 6.615 -9.011 -0.224 1.00 0.00 O ATOM 1087 CB SER A 78 4.939 -9.908 -2.922 1.00 0.00 C ATOM 1088 OG SER A 78 3.716 -9.978 -3.620 1.00 0.00 O ATOM 0 H SER A 78 3.890 -7.749 -3.304 1.00 0.00 H new ATOM 0 HA SER A 78 4.239 -9.279 -0.998 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.746 -9.646 -3.606 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.184 -10.882 -2.498 1.00 0.00 H new ATOM 0 HG SER A 78 3.090 -10.548 -3.126 1.00 0.00 H new ATOM 1094 N SER A 79 6.930 -7.645 -1.988 1.00 0.00 N ATOM 1095 CA SER A 79 8.255 -7.228 -1.575 1.00 0.00 C ATOM 1096 C SER A 79 8.170 -6.464 -0.260 1.00 0.00 C ATOM 1097 O SER A 79 9.094 -6.511 0.548 1.00 0.00 O ATOM 1098 CB SER A 79 8.877 -6.360 -2.665 1.00 0.00 C ATOM 1099 OG SER A 79 9.049 -7.128 -3.835 1.00 0.00 O ATOM 0 H SER A 79 6.609 -7.223 -2.859 1.00 0.00 H new ATOM 0 HA SER A 79 8.885 -8.104 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.237 -5.502 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.837 -5.968 -2.329 1.00 0.00 H new ATOM 0 HG SER A 79 8.183 -7.246 -4.279 1.00 0.00 H new ATOM 1105 N MET A 80 7.056 -5.760 -0.048 1.00 0.00 N ATOM 1106 CA MET A 80 6.859 -4.992 1.165 1.00 0.00 C ATOM 1107 C MET A 80 6.670 -5.930 2.348 1.00 0.00 C ATOM 1108 O MET A 80 7.223 -5.700 3.421 1.00 0.00 O ATOM 1109 CB MET A 80 5.645 -4.082 0.999 1.00 0.00 C ATOM 1110 CG MET A 80 6.111 -2.644 0.794 1.00 0.00 C ATOM 1111 SD MET A 80 5.511 -1.490 2.052 1.00 0.00 S ATOM 1112 CE MET A 80 3.736 -1.824 1.928 1.00 0.00 C ATOM 0 H MET A 80 6.280 -5.711 -0.708 1.00 0.00 H new ATOM 0 HA MET A 80 7.738 -4.375 1.354 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.048 -4.407 0.147 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.006 -4.146 1.880 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.201 -2.624 0.787 1.00 0.00 H new ATOM 0 HG3 MET A 80 5.779 -2.302 -0.186 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.177 -0.934 2.217 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.487 -2.092 0.901 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.474 -2.648 2.592 1.00 0.00 H new ATOM 1122 N LEU A 81 5.886 -6.993 2.149 1.00 0.00 N ATOM 1123 CA LEU A 81 5.628 -7.960 3.196 1.00 0.00 C ATOM 1124 C LEU A 81 6.943 -8.538 3.701 1.00 0.00 C ATOM 1125 O LEU A 81 7.178 -8.590 4.907 1.00 0.00 O ATOM 1126 CB LEU A 81 4.725 -9.065 2.656 1.00 0.00 C ATOM 1127 CG LEU A 81 4.600 -10.174 3.698 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.805 -11.104 3.599 1.00 0.00 C ATOM 1129 CD2 LEU A 81 4.545 -9.557 5.093 1.00 0.00 C ATOM 0 H LEU A 81 5.421 -7.198 1.265 1.00 0.00 H new ATOM 0 HA LEU A 81 5.124 -7.472 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.741 -8.662 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.137 -9.466 1.730 1.00 0.00 H new ATOM 0 HG LEU A 81 3.688 -10.742 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.716 -11.896 4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.844 -11.545 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.718 -10.537 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.456 -10.348 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.457 -8.988 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.683 -8.893 5.164 1.00 0.00 H new ATOM 1141 N LYS A 82 7.801 -8.972 2.775 1.00 0.00 N ATOM 1142 CA LYS A 82 9.085 -9.541 3.132 1.00 0.00 C ATOM 1143 C LYS A 82 9.909 -8.519 3.902 1.00 0.00 C ATOM 1144 O LYS A 82 10.305 -8.767 5.039 1.00 0.00 O ATOM 1145 CB LYS A 82 9.815 -9.981 1.866 1.00 0.00 C ATOM 1146 CG LYS A 82 9.630 -11.482 1.668 1.00 0.00 C ATOM 1147 CD LYS A 82 8.144 -11.825 1.728 1.00 0.00 C ATOM 1148 CE LYS A 82 7.905 -12.861 2.822 1.00 0.00 C ATOM 1149 NZ LYS A 82 8.665 -14.092 2.559 1.00 0.00 N ATOM 0 H LYS A 82 7.621 -8.936 1.772 1.00 0.00 H new ATOM 0 HA LYS A 82 8.935 -10.411 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.428 -9.439 1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.876 -9.742 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.046 -11.787 0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.172 -12.031 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.560 -10.927 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.810 -12.213 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.197 -12.449 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.842 -13.092 2.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.138 -14.910 2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.806 -14.201 1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.590 -14.037 3.032 1.00 0.00 H new ATOM 1163 N HIS A 83 10.168 -7.367 3.280 1.00 0.00 N ATOM 1164 CA HIS A 83 10.945 -6.318 3.911 1.00 0.00 C ATOM 1165 C HIS A 83 10.595 -6.230 5.390 1.00 0.00 C ATOM 1166 O HIS A 83 11.466 -5.992 6.223 1.00 0.00 O ATOM 1167 CB HIS A 83 10.669 -4.991 3.211 1.00 0.00 C ATOM 1168 CG HIS A 83 11.928 -4.258 2.838 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.235 -3.751 1.596 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.975 -3.976 3.674 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.447 -3.175 1.688 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.939 -3.285 2.933 1.00 0.00 N ATOM 0 H HIS A 83 9.847 -7.144 2.338 1.00 0.00 H new ATOM 0 HA HIS A 83 12.007 -6.547 3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.081 -5.175 2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.066 -4.360 3.863 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.044 -4.240 4.719 1.00 0.00 H new ATOM 0 HE1 HIS A 83 13.957 -2.689 0.870 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.836 -2.935 3.270 1.00 0.00 H new ATOM 1180 N GLY A 84 9.314 -6.424 5.715 1.00 0.00 N ATOM 1181 CA GLY A 84 8.862 -6.364 7.090 1.00 0.00 C ATOM 1182 C GLY A 84 7.907 -5.194 7.281 1.00 0.00 C ATOM 1183 O GLY A 84 7.552 -4.857 8.409 1.00 0.00 O ATOM 0 H GLY A 84 8.578 -6.624 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.364 -7.296 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.717 -6.257 7.757 1.00 0.00 H new ATOM 1187 N PHE A 85 7.491 -4.574 6.175 1.00 0.00 N ATOM 1188 CA PHE A 85 6.582 -3.447 6.227 1.00 0.00 C ATOM 1189 C PHE A 85 5.162 -3.940 6.465 1.00 0.00 C ATOM 1190 O PHE A 85 4.222 -3.148 6.479 1.00 0.00 O ATOM 1191 CB PHE A 85 6.671 -2.662 4.922 1.00 0.00 C ATOM 1192 CG PHE A 85 7.985 -1.940 4.741 1.00 0.00 C ATOM 1193 CD1 PHE A 85 8.372 -0.951 5.653 1.00 0.00 C ATOM 1194 CD2 PHE A 85 8.818 -2.262 3.662 1.00 0.00 C ATOM 1195 CE1 PHE A 85 9.592 -0.284 5.486 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.037 -1.595 3.496 1.00 0.00 C ATOM 1197 CZ PHE A 85 10.424 -0.605 4.408 1.00 0.00 C ATOM 0 H PHE A 85 7.775 -4.841 5.233 1.00 0.00 H new ATOM 0 HA PHE A 85 6.859 -2.789 7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.523 -3.345 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.859 -1.936 4.888 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.730 -0.702 6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.520 -3.025 2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.891 0.479 6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.680 -1.844 2.664 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.364 -0.090 4.279 1.00 0.00 H new ATOM 1207 N LEU A 86 5.007 -5.253 6.651 1.00 0.00 N ATOM 1208 CA LEU A 86 3.705 -5.844 6.887 1.00 0.00 C ATOM 1209 C LEU A 86 3.845 -7.058 7.795 1.00 0.00 C ATOM 1210 O LEU A 86 4.807 -7.814 7.680 1.00 0.00 O ATOM 1211 CB LEU A 86 3.077 -6.238 5.553 1.00 0.00 C ATOM 1212 CG LEU A 86 1.956 -5.260 5.211 1.00 0.00 C ATOM 1213 CD1 LEU A 86 1.440 -5.549 3.804 1.00 0.00 C ATOM 1214 CD2 LEU A 86 0.816 -5.422 6.214 1.00 0.00 C ATOM 0 H LEU A 86 5.776 -5.923 6.641 1.00 0.00 H new ATOM 0 HA LEU A 86 3.057 -5.119 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.832 -6.232 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.684 -7.253 5.609 1.00 0.00 H new ATOM 0 HG LEU A 86 2.338 -4.240 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.639 -4.851 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.253 -5.434 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.058 -6.569 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.015 -4.724 5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.434 -6.442 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.184 -5.216 7.219 1.00 0.00 H new ATOM 1226 N ARG A 87 2.882 -7.242 8.701 1.00 0.00 N ATOM 1227 CA ARG A 87 2.902 -8.359 9.623 1.00 0.00 C ATOM 1228 C ARG A 87 1.673 -9.229 9.406 1.00 0.00 C ATOM 1229 O ARG A 87 0.557 -8.721 9.321 1.00 0.00 O ATOM 1230 CB ARG A 87 2.946 -7.834 11.055 1.00 0.00 C ATOM 1231 CG ARG A 87 4.024 -8.579 11.837 1.00 0.00 C ATOM 1232 CD ARG A 87 5.221 -7.659 12.058 1.00 0.00 C ATOM 1233 NE ARG A 87 6.477 -8.356 11.783 1.00 0.00 N ATOM 1234 CZ ARG A 87 7.599 -7.716 11.424 1.00 0.00 C ATOM 1235 NH1 ARG A 87 7.600 -6.381 11.306 1.00 0.00 N ATOM 1236 NH2 ARG A 87 8.719 -8.411 11.183 1.00 0.00 N ATOM 0 H ARG A 87 2.078 -6.623 8.809 1.00 0.00 H new ATOM 0 HA ARG A 87 3.789 -8.967 9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.155 -6.764 11.055 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.976 -7.969 11.533 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.627 -8.913 12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.333 -9.471 11.292 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.137 -6.786 11.411 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.220 -7.296 13.086 1.00 0.00 H new ATOM 0 HE ARG A 87 6.500 -9.372 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.747 -5.852 11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.453 -5.894 11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.718 -9.427 11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.573 -7.924 10.910 1.00 0.00 H new ATOM 1250 N HIS A 88 1.878 -10.546 9.317 1.00 0.00 N ATOM 1251 CA HIS A 88 0.785 -11.474 9.109 1.00 0.00 C ATOM 1252 C HIS A 88 0.635 -12.381 10.322 1.00 0.00 C ATOM 1253 O HIS A 88 1.238 -12.133 11.364 1.00 0.00 O ATOM 1254 CB HIS A 88 1.049 -12.295 7.850 1.00 0.00 C ATOM 1255 CG HIS A 88 1.176 -11.443 6.617 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.043 -10.082 6.560 1.00 0.00 N flip ATOM 1257 CD2 HIS A 88 1.447 -11.891 5.344 1.00 0.00 C flip ATOM 1258 CE1 HIS A 88 1.235 -9.689 5.232 1.00 0.00 C flip ATOM 1259 NE2 HIS A 88 1.476 -10.814 4.539 1.00 0.00 N flip ATOM 0 H HIS A 88 2.796 -10.985 9.387 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.145 -10.920 8.979 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.964 -12.873 7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.238 -13.010 7.711 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.607 -12.917 5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.197 -8.683 4.842 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.657 -10.847 3.536 1.00 0.00 H new ATOM 1267 N THR A 89 -0.171 -13.437 10.185 1.00 0.00 N ATOM 1268 CA THR A 89 -0.391 -14.372 11.270 1.00 0.00 C ATOM 1269 C THR A 89 0.175 -15.736 10.902 1.00 0.00 C ATOM 1270 O THR A 89 -0.476 -16.757 11.110 1.00 0.00 O ATOM 1271 CB THR A 89 -1.886 -14.468 11.561 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.557 -14.954 10.421 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.425 -13.085 11.917 1.00 0.00 C ATOM 0 H THR A 89 -0.679 -13.658 9.329 1.00 0.00 H new ATOM 0 HA THR A 89 0.120 -14.020 12.166 1.00 0.00 H new ATOM 0 HB THR A 89 -2.050 -15.148 12.397 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.997 -14.818 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.493 -13.153 12.125 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.907 -12.709 12.799 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.261 -12.404 11.082 1.00 0.00 H new ATOM 1281 N VAL A 90 1.392 -15.749 10.355 1.00 0.00 N ATOM 1282 CA VAL A 90 2.040 -16.984 9.962 1.00 0.00 C ATOM 1283 C VAL A 90 3.325 -17.167 10.758 1.00 0.00 C ATOM 1284 O VAL A 90 3.581 -16.428 11.705 1.00 0.00 O ATOM 1285 CB VAL A 90 2.332 -16.950 8.464 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.020 -16.835 7.693 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.217 -15.748 8.146 1.00 0.00 C ATOM 0 H VAL A 90 1.944 -14.910 10.177 1.00 0.00 H new ATOM 0 HA VAL A 90 1.382 -17.828 10.171 1.00 0.00 H new ATOM 0 HB VAL A 90 2.845 -17.866 8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.228 -16.811 6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.388 -17.693 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.506 -15.919 7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.426 -15.723 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.704 -14.831 8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.154 -15.830 8.697 1.00 0.00 H new ATOM 1297 N ASN A 91 4.134 -18.156 10.370 1.00 0.00 N ATOM 1298 CA ASN A 91 5.385 -18.429 11.048 1.00 0.00 C ATOM 1299 C ASN A 91 6.200 -17.149 11.167 1.00 0.00 C ATOM 1300 O ASN A 91 6.777 -16.872 12.216 1.00 0.00 O ATOM 1301 CB ASN A 91 6.159 -19.492 10.275 1.00 0.00 C ATOM 1302 CG ASN A 91 6.169 -20.814 11.031 1.00 0.00 C ATOM 1303 OD1 ASN A 91 7.030 -21.040 11.878 1.00 0.00 O ATOM 1304 ND2 ASN A 91 5.207 -21.686 10.724 1.00 0.00 N ATOM 0 H ASN A 91 3.936 -18.778 9.586 1.00 0.00 H new ATOM 0 HA ASN A 91 5.184 -18.801 12.052 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.708 -19.634 9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.182 -19.155 10.110 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.164 -22.587 11.200 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.514 -21.452 10.013 1.00 0.00 H new ATOM 1311 N LYS A 92 6.246 -16.366 10.086 1.00 0.00 N ATOM 1312 CA LYS A 92 6.989 -15.122 10.076 1.00 0.00 C ATOM 1313 C LYS A 92 6.169 -14.035 9.396 1.00 0.00 C ATOM 1314 O LYS A 92 5.652 -13.137 10.057 1.00 0.00 O ATOM 1315 CB LYS A 92 8.317 -15.329 9.353 1.00 0.00 C ATOM 1316 CG LYS A 92 9.317 -14.274 9.817 1.00 0.00 C ATOM 1317 CD LYS A 92 10.570 -14.960 10.352 1.00 0.00 C ATOM 1318 CE LYS A 92 10.888 -14.426 11.746 1.00 0.00 C ATOM 1319 NZ LYS A 92 12.268 -14.754 12.135 1.00 0.00 N ATOM 0 H LYS A 92 5.773 -16.580 9.208 1.00 0.00 H new ATOM 0 HA LYS A 92 7.192 -14.808 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.704 -16.327 9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.172 -15.259 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.576 -13.614 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.871 -13.651 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.418 -16.039 10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.410 -14.780 9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.748 -13.345 11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.192 -14.851 12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.459 -14.380 13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.392 -15.787 12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.931 -14.328 11.456 1.00 0.00 H new ATOM 1333 N ILE A 93 6.050 -14.118 8.068 1.00 0.00 N ATOM 1334 CA ILE A 93 5.295 -13.146 7.304 1.00 0.00 C ATOM 1335 C ILE A 93 4.680 -13.816 6.083 1.00 0.00 C ATOM 1336 O ILE A 93 3.463 -13.966 6.002 1.00 0.00 O ATOM 1337 CB ILE A 93 6.214 -12.001 6.888 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.655 -12.498 6.836 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.103 -10.867 7.903 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.491 -11.546 5.985 1.00 0.00 C ATOM 0 H ILE A 93 6.473 -14.856 7.506 1.00 0.00 H new ATOM 0 HA ILE A 93 4.489 -12.742 7.917 1.00 0.00 H new ATOM 0 HB ILE A 93 5.920 -11.638 5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.067 -12.559 7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.689 -13.503 6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.759 -10.048 7.607 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.073 -10.512 7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.397 -11.230 8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.521 -11.901 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.083 -11.508 4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.467 -10.549 6.424 1.00 0.00 H new ATOM 1352 N THR A 94 5.525 -14.221 5.132 1.00 0.00 N ATOM 1353 CA THR A 94 5.057 -14.872 3.925 1.00 0.00 C ATOM 1354 C THR A 94 3.876 -14.106 3.346 1.00 0.00 C ATOM 1355 O THR A 94 2.749 -14.250 3.814 1.00 0.00 O ATOM 1356 CB THR A 94 4.663 -16.311 4.245 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.404 -16.323 4.879 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.705 -16.930 5.172 1.00 0.00 C ATOM 0 H THR A 94 6.537 -14.105 5.183 1.00 0.00 H new ATOM 0 HA THR A 94 5.855 -14.883 3.182 1.00 0.00 H new ATOM 0 HB THR A 94 4.611 -16.887 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.120 -15.403 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.424 -17.958 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.679 -16.921 4.682 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.758 -16.354 6.096 1.00 0.00 H new ATOM 1366 N PHE A 95 4.137 -13.288 2.324 1.00 0.00 N ATOM 1367 CA PHE A 95 3.096 -12.505 1.688 1.00 0.00 C ATOM 1368 C PHE A 95 1.907 -13.397 1.360 1.00 0.00 C ATOM 1369 O PHE A 95 2.014 -14.620 1.407 1.00 0.00 O ATOM 1370 CB PHE A 95 3.651 -11.855 0.424 1.00 0.00 C ATOM 1371 CG PHE A 95 2.731 -10.817 -0.173 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.353 -9.700 0.581 1.00 0.00 C ATOM 1373 CD2 PHE A 95 2.254 -10.972 -1.480 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.499 -8.738 0.029 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.400 -10.011 -2.033 1.00 0.00 C ATOM 1376 CZ PHE A 95 1.022 -8.894 -1.278 1.00 0.00 C ATOM 0 H PHE A 95 5.066 -13.156 1.924 1.00 0.00 H new ATOM 0 HA PHE A 95 2.759 -11.721 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.609 -11.390 0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.843 -12.629 -0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.721 -9.580 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.545 -11.834 -2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.208 -7.876 0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.033 -10.131 -3.042 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.362 -8.153 -1.704 1.00 0.00 H new ATOM 1386 N SER A 96 0.771 -12.781 1.027 1.00 0.00 N ATOM 1387 CA SER A 96 -0.429 -13.521 0.692 1.00 0.00 C ATOM 1388 C SER A 96 -1.435 -12.597 0.020 1.00 0.00 C ATOM 1389 O SER A 96 -1.908 -12.884 -1.078 1.00 0.00 O ATOM 1390 CB SER A 96 -1.019 -14.132 1.960 1.00 0.00 C ATOM 1391 OG SER A 96 -0.416 -15.383 2.203 1.00 0.00 O ATOM 0 H SER A 96 0.665 -11.767 0.985 1.00 0.00 H new ATOM 0 HA SER A 96 -0.183 -14.324 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.855 -13.466 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.097 -14.251 1.852 1.00 0.00 H new ATOM 0 HG SER A 96 0.487 -15.390 1.823 1.00 0.00 H new ATOM 1397 N GLU A 97 -1.762 -11.484 0.681 1.00 0.00 N ATOM 1398 CA GLU A 97 -2.707 -10.527 0.142 1.00 0.00 C ATOM 1399 C GLU A 97 -4.055 -11.198 -0.082 1.00 0.00 C ATOM 1400 O GLU A 97 -4.621 -11.112 -1.170 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.162 -9.958 -1.165 1.00 0.00 C ATOM 1402 CG GLU A 97 -2.773 -8.582 -1.414 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.701 -8.610 -2.620 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -4.171 -9.721 -2.949 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -3.923 -7.520 -3.191 1.00 0.00 O ATOM 0 H GLU A 97 -1.380 -11.231 1.592 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.846 -9.710 0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.076 -9.882 -1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.398 -10.628 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.326 -8.260 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.980 -7.852 -1.577 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.569 -11.867 0.952 1.00 0.00 N ATOM 1414 CA GLN A 98 -5.846 -12.548 0.863 1.00 0.00 C ATOM 1415 C GLN A 98 -6.738 -12.126 2.022 1.00 0.00 C ATOM 1416 O GLN A 98 -7.891 -11.753 1.817 1.00 0.00 O ATOM 1417 CB GLN A 98 -5.617 -14.056 0.877 1.00 0.00 C ATOM 1418 CG GLN A 98 -5.363 -14.547 -0.546 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.669 -14.912 -1.236 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -7.745 -14.708 -0.679 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -6.571 -15.454 -2.452 1.00 0.00 N ATOM 0 H GLN A 98 -4.112 -11.947 1.861 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.344 -12.277 -0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.767 -14.299 1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.486 -14.562 1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -4.850 -13.772 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.704 -15.415 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.653 -15.603 -2.871 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.414 -15.719 -2.962 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.200 -12.187 3.242 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.943 -11.813 4.429 1.00 0.00 C ATOM 1432 C CYS A 99 -6.555 -10.402 4.849 1.00 0.00 C ATOM 1433 O CYS A 99 -6.245 -9.565 4.004 1.00 0.00 O ATOM 1434 CB CYS A 99 -6.652 -12.810 5.546 1.00 0.00 C ATOM 1435 SG CYS A 99 -8.127 -12.968 6.583 1.00 0.00 S ATOM 0 H CYS A 99 -5.245 -12.495 3.426 1.00 0.00 H new ATOM 0 HA CYS A 99 -8.012 -11.830 4.218 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -6.380 -13.778 5.126 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -5.805 -12.472 6.143 1.00 0.00 H new ATOM 0 HG CYS A 99 -7.896 -13.817 7.540 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.573 -10.138 6.157 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.226 -8.831 6.677 1.00 0.00 C ATOM 1443 C TYR A 100 -5.034 -8.949 7.616 1.00 0.00 C ATOM 1444 O TYR A 100 -4.869 -9.964 8.288 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.430 -8.238 7.403 1.00 0.00 C ATOM 1446 CG TYR A 100 -8.227 -7.272 6.560 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.152 -7.336 5.163 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -9.042 -6.314 7.174 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -8.891 -6.441 4.381 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -9.782 -5.419 6.392 1.00 0.00 C ATOM 1451 CZ TYR A 100 -9.706 -5.482 4.995 1.00 0.00 C ATOM 1452 OH TYR A 100 -10.427 -4.611 4.233 1.00 0.00 O ATOM 0 H TYR A 100 -6.826 -10.821 6.871 1.00 0.00 H new ATOM 0 HA TYR A 100 -5.951 -8.169 5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.083 -9.048 7.728 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.086 -7.725 8.301 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -7.524 -8.076 4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -9.100 -6.265 8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.833 -6.490 3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -10.411 -4.680 6.866 1.00 0.00 H new ATOM 0 HH TYR A 100 -10.940 -4.013 4.816 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.201 -7.907 7.660 1.00 0.00 N ATOM 1463 CA TYR A 101 -3.030 -7.901 8.514 1.00 0.00 C ATOM 1464 C TYR A 101 -2.613 -6.467 8.808 1.00 0.00 C ATOM 1465 O TYR A 101 -3.306 -5.526 8.429 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.900 -8.664 7.830 1.00 0.00 C ATOM 1467 CG TYR A 101 -2.047 -10.165 7.916 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.597 -10.749 9.063 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -1.633 -10.971 6.849 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.734 -12.140 9.143 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -1.770 -12.362 6.929 1.00 0.00 C ATOM 1472 CZ TYR A 101 -2.320 -12.947 8.076 1.00 0.00 C ATOM 1473 OH TYR A 101 -2.453 -14.302 8.154 1.00 0.00 O ATOM 0 H TYR A 101 -4.324 -7.058 7.109 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.262 -8.391 9.460 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.857 -8.371 6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.951 -8.374 8.281 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.916 -10.127 9.886 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -1.208 -10.520 5.964 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.159 -12.591 10.028 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.451 -12.984 6.106 1.00 0.00 H new ATOM 0 HH TYR A 101 -3.152 -14.525 8.804 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.474 -6.303 9.486 1.00 0.00 N ATOM 1484 CA VAL A 102 -0.970 -4.988 9.827 1.00 0.00 C ATOM 1485 C VAL A 102 0.487 -5.090 10.255 1.00 0.00 C ATOM 1486 O VAL A 102 0.911 -6.118 10.779 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.822 -4.392 10.944 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.935 -4.071 12.144 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.488 -3.111 10.448 1.00 0.00 C ATOM 0 H VAL A 102 -0.888 -7.074 9.807 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.027 -4.334 8.957 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.588 -5.110 11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.543 -3.645 12.942 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.458 -4.985 12.499 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.169 -3.353 11.849 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.097 -2.685 11.246 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.722 -2.393 10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.121 -3.339 9.591 1.00 0.00 H new ATOM 1499 N PHE A 103 1.254 -4.021 10.031 1.00 0.00 N ATOM 1500 CA PHE A 103 2.656 -3.998 10.395 1.00 0.00 C ATOM 1501 C PHE A 103 2.804 -4.219 11.894 1.00 0.00 C ATOM 1502 O PHE A 103 1.818 -4.453 12.589 1.00 0.00 O ATOM 1503 CB PHE A 103 3.265 -2.661 9.982 1.00 0.00 C ATOM 1504 CG PHE A 103 2.423 -1.469 10.370 1.00 0.00 C ATOM 1505 CD1 PHE A 103 2.419 -1.017 11.695 1.00 0.00 C ATOM 1506 CD2 PHE A 103 1.645 -0.818 9.406 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.637 0.087 12.056 1.00 0.00 C ATOM 1508 CE2 PHE A 103 0.863 0.286 9.766 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.859 0.738 11.091 1.00 0.00 C ATOM 0 H PHE A 103 0.918 -3.161 9.597 1.00 0.00 H new ATOM 0 HA PHE A 103 3.184 -4.799 9.877 1.00 0.00 H new ATOM 0 HB2 PHE A 103 4.250 -2.563 10.438 1.00 0.00 H new ATOM 0 HB3 PHE A 103 3.412 -2.656 8.902 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.019 -1.520 12.439 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.648 -1.167 8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.634 0.436 13.078 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.263 0.789 9.022 1.00 0.00 H new ATOM 0 HZ PHE A 103 0.255 1.589 11.369 1.00 0.00 H new ATOM 1519 N GLY A 104 4.041 -4.145 12.391 1.00 0.00 N ATOM 1520 CA GLY A 104 4.306 -4.337 13.803 1.00 0.00 C ATOM 1521 C GLY A 104 5.541 -3.551 14.220 1.00 0.00 C ATOM 1522 O GLY A 104 5.839 -2.507 13.645 1.00 0.00 O ATOM 0 H GLY A 104 4.870 -3.953 11.829 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.446 -4.013 14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.453 -5.397 14.012 1.00 0.00 H new ATOM 1526 N ASP A 105 6.259 -4.056 15.225 1.00 0.00 N ATOM 1527 CA ASP A 105 7.455 -3.400 15.715 1.00 0.00 C ATOM 1528 C ASP A 105 8.094 -4.244 16.809 1.00 0.00 C ATOM 1529 O ASP A 105 7.497 -4.452 17.862 1.00 0.00 O ATOM 1530 CB ASP A 105 7.095 -2.014 16.241 1.00 0.00 C ATOM 1531 CG ASP A 105 8.256 -1.046 16.062 1.00 0.00 C ATOM 1532 OD1 ASP A 105 9.408 -1.510 16.199 1.00 0.00 O ATOM 1533 OD2 ASP A 105 7.969 0.140 15.793 1.00 0.00 O ATOM 0 H ASP A 105 6.025 -4.921 15.712 1.00 0.00 H new ATOM 0 HA ASP A 105 8.173 -3.290 14.903 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.218 -1.637 15.715 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.830 -2.079 17.296 1.00 0.00 H new