USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=24 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 -155:sc= -1.45! USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 41 MET CE :methyl -178:sc= -5.28! (180deg=-4.81!) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= -0.706 USER MOD Set 3.1: A 28 MET CE :methyl -126:sc= -27.4! (180deg=-28.6!) USER MOD Set 3.2: A 80 MET CE :methyl -123:sc= -5.24! (180deg=-7.91!) USER MOD Set 4.1: A 21 MET CE :methyl 170:sc= -0.0703 (180deg=-0.276) USER MOD Set 4.2: A 83 HIS :FLIP no HE2:sc= -0.976 F(o=-2.6!,f=-1) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.382 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -69:sc= -0.354 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 33 SER OG : rot 93:sc= -0.234! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -7.62! C(o=-8.9!,f=-7.6!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -44:sc= 0.03 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -17.7! C(o=-20!,f=-18!) 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 -14:sc= -11.3! USER MOD Single : A 78 SER OG : rot -112:sc= 0.637 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= -0.192 (180deg=-0.192) USER MOD Single : A 88 HIS : no HE2:sc= -19.7! C(o=-20!,f=-23!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 6:sc= 0.8! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 99 CYS SG : rot -54:sc= 1.75 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 4.592 10.953 -5.368 1.00 0.00 N ATOM 28 CA PRO A 14 5.847 10.789 -4.665 1.00 0.00 C ATOM 29 C PRO A 14 6.337 9.357 -4.823 1.00 0.00 C ATOM 30 O PRO A 14 7.455 9.035 -4.427 1.00 0.00 O ATOM 31 CB PRO A 14 5.521 11.099 -3.206 1.00 0.00 C ATOM 32 CG PRO A 14 4.058 10.671 -3.088 1.00 0.00 C ATOM 33 CD PRO A 14 3.483 11.066 -4.446 1.00 0.00 C ATOM 0 HA PRO A 14 6.635 11.438 -5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.162 10.543 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.653 12.157 -2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.963 9.601 -2.904 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.551 11.182 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.662 10.409 -4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.087 12.081 -4.427 1.00 0.00 H new ATOM 41 N LEU A 15 5.497 8.496 -5.402 1.00 0.00 N ATOM 42 CA LEU A 15 5.847 7.105 -5.606 1.00 0.00 C ATOM 43 C LEU A 15 5.559 6.707 -7.047 1.00 0.00 C ATOM 44 O LEU A 15 5.002 7.492 -7.811 1.00 0.00 O ATOM 45 CB LEU A 15 5.055 6.234 -4.636 1.00 0.00 C ATOM 46 CG LEU A 15 4.840 6.993 -3.330 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.900 6.198 -2.428 1.00 0.00 C ATOM 48 CD2 LEU A 15 6.181 7.183 -2.626 1.00 0.00 C ATOM 0 H LEU A 15 4.567 8.748 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 15 6.911 6.962 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.094 5.964 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.591 5.304 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 15 4.400 7.967 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.746 6.740 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.942 6.062 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.339 5.224 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.028 7.725 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.621 6.209 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.853 7.751 -3.270 1.00 0.00 H new ATOM 60 N THR A 16 5.941 5.482 -7.418 1.00 0.00 N ATOM 61 CA THR A 16 5.720 4.991 -8.762 1.00 0.00 C ATOM 62 C THR A 16 5.586 3.475 -8.745 1.00 0.00 C ATOM 63 O THR A 16 4.678 2.922 -9.362 1.00 0.00 O ATOM 64 CB THR A 16 6.879 5.420 -9.657 1.00 0.00 C ATOM 65 OG1 THR A 16 7.436 6.617 -9.162 1.00 0.00 O ATOM 66 CG2 THR A 16 6.368 5.647 -11.078 1.00 0.00 C ATOM 0 H THR A 16 6.405 4.818 -6.798 1.00 0.00 H new ATOM 0 HA THR A 16 4.796 5.412 -9.158 1.00 0.00 H new ATOM 0 HB THR A 16 7.640 4.640 -9.665 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.182 6.893 -9.735 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.196 5.954 -11.718 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.936 4.723 -11.461 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.607 6.427 -11.071 1.00 0.00 H new ATOM 74 N VAL A 17 6.495 2.803 -8.035 1.00 0.00 N ATOM 75 CA VAL A 17 6.475 1.357 -7.940 1.00 0.00 C ATOM 76 C VAL A 17 7.792 0.862 -7.360 1.00 0.00 C ATOM 77 O VAL A 17 7.820 -0.130 -6.635 1.00 0.00 O ATOM 78 CB VAL A 17 6.234 0.760 -9.323 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.300 -0.292 -9.616 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.854 0.111 -9.362 1.00 0.00 C ATOM 0 H VAL A 17 7.254 3.247 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 17 5.668 1.042 -7.279 1.00 0.00 H new ATOM 0 HB VAL A 17 6.286 1.548 -10.074 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.128 -0.719 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.286 0.172 -9.587 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.248 -1.081 -8.866 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.681 -0.316 -10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.801 -0.678 -8.611 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.093 0.862 -9.153 1.00 0.00 H new ATOM 90 N LYS A 18 8.887 1.556 -7.681 1.00 0.00 N ATOM 91 CA LYS A 18 10.198 1.182 -7.191 1.00 0.00 C ATOM 92 C LYS A 18 10.522 1.967 -5.928 1.00 0.00 C ATOM 93 O LYS A 18 11.576 1.773 -5.326 1.00 0.00 O ATOM 94 CB LYS A 18 11.240 1.449 -8.274 1.00 0.00 C ATOM 95 CG LYS A 18 10.969 0.545 -9.474 1.00 0.00 C ATOM 96 CD LYS A 18 12.251 0.375 -10.284 1.00 0.00 C ATOM 97 CE LYS A 18 11.899 0.116 -11.746 1.00 0.00 C ATOM 98 NZ LYS A 18 13.113 -0.064 -12.557 1.00 0.00 N ATOM 0 H LYS A 18 8.882 2.381 -8.281 1.00 0.00 H new ATOM 0 HA LYS A 18 10.209 0.120 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.205 2.495 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.241 1.264 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.608 -0.427 -9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.186 0.976 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.868 1.270 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.837 -0.454 -9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.272 -0.773 -11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.317 0.950 -12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.846 -0.239 -13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.698 0.794 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.654 -0.875 -12.196 1.00 0.00 H new ATOM 112 N SER A 19 9.610 2.855 -5.526 1.00 0.00 N ATOM 113 CA SER A 19 9.803 3.662 -4.338 1.00 0.00 C ATOM 114 C SER A 19 10.215 2.774 -3.172 1.00 0.00 C ATOM 115 O SER A 19 9.669 1.688 -2.992 1.00 0.00 O ATOM 116 CB SER A 19 8.512 4.410 -4.017 1.00 0.00 C ATOM 117 OG SER A 19 7.926 4.870 -5.215 1.00 0.00 O ATOM 0 H SER A 19 8.731 3.027 -6.013 1.00 0.00 H new ATOM 0 HA SER A 19 10.596 4.389 -4.513 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.820 3.753 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.721 5.251 -3.355 1.00 0.00 H new ATOM 0 HG SER A 19 8.481 5.581 -5.599 1.00 0.00 H new ATOM 123 N ASP A 20 11.182 3.240 -2.378 1.00 0.00 N ATOM 124 CA ASP A 20 11.662 2.489 -1.236 1.00 0.00 C ATOM 125 C ASP A 20 10.494 1.797 -0.548 1.00 0.00 C ATOM 126 O ASP A 20 9.571 2.456 -0.075 1.00 0.00 O ATOM 127 CB ASP A 20 12.377 3.431 -0.272 1.00 0.00 C ATOM 128 CG ASP A 20 13.882 3.208 -0.309 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.300 2.282 -1.037 1.00 0.00 O ATOM 130 OD2 ASP A 20 14.586 3.967 0.391 1.00 0.00 O ATOM 0 H ASP A 20 11.644 4.139 -2.514 1.00 0.00 H new ATOM 0 HA ASP A 20 12.367 1.727 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.152 4.465 -0.534 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.007 3.271 0.741 1.00 0.00 H new ATOM 136 N MET A 21 10.535 0.463 -0.492 1.00 0.00 N ATOM 137 CA MET A 21 9.480 -0.306 0.136 1.00 0.00 C ATOM 138 C MET A 21 9.090 0.333 1.461 1.00 0.00 C ATOM 139 O MET A 21 7.907 0.457 1.769 1.00 0.00 O ATOM 140 CB MET A 21 9.956 -1.741 0.348 1.00 0.00 C ATOM 141 CG MET A 21 9.658 -2.566 -0.901 1.00 0.00 C ATOM 142 SD MET A 21 10.801 -2.263 -2.271 1.00 0.00 S ATOM 143 CE MET A 21 12.266 -3.101 -1.616 1.00 0.00 C ATOM 0 H MET A 21 11.293 -0.100 -0.878 1.00 0.00 H new ATOM 0 HA MET A 21 8.602 -0.318 -0.509 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.025 -1.753 0.558 1.00 0.00 H new ATOM 0 HB3 MET A 21 9.456 -2.177 1.213 1.00 0.00 H new ATOM 0 HG2 MET A 21 9.690 -3.624 -0.642 1.00 0.00 H new ATOM 0 HG3 MET A 21 8.643 -2.350 -1.233 1.00 0.00 H new ATOM 0 HE1 MET A 21 13.023 -3.174 -2.397 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.665 -2.533 -0.776 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.993 -4.102 -1.280 1.00 0.00 H new ATOM 153 N SER A 22 10.091 0.740 2.245 1.00 0.00 N ATOM 154 CA SER A 22 9.848 1.365 3.530 1.00 0.00 C ATOM 155 C SER A 22 9.111 2.682 3.333 1.00 0.00 C ATOM 156 O SER A 22 8.297 3.072 4.168 1.00 0.00 O ATOM 157 CB SER A 22 11.178 1.591 4.244 1.00 0.00 C ATOM 158 OG SER A 22 11.905 2.597 3.574 1.00 0.00 O ATOM 0 H SER A 22 11.077 0.644 2.004 1.00 0.00 H new ATOM 0 HA SER A 22 9.227 0.713 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.002 1.882 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.753 0.665 4.267 1.00 0.00 H new ATOM 0 HG SER A 22 12.759 2.744 4.032 1.00 0.00 H new ATOM 164 N ALA A 23 9.397 3.367 2.223 1.00 0.00 N ATOM 165 CA ALA A 23 8.761 4.634 1.922 1.00 0.00 C ATOM 166 C ALA A 23 7.314 4.401 1.512 1.00 0.00 C ATOM 167 O ALA A 23 6.448 5.228 1.788 1.00 0.00 O ATOM 168 CB ALA A 23 9.532 5.337 0.808 1.00 0.00 C ATOM 0 H ALA A 23 10.069 3.057 1.521 1.00 0.00 H new ATOM 0 HA ALA A 23 8.769 5.269 2.808 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.055 6.290 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.558 5.513 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.535 4.711 -0.084 1.00 0.00 H new ATOM 174 N ILE A 24 7.054 3.270 0.852 1.00 0.00 N ATOM 175 CA ILE A 24 5.717 2.932 0.408 1.00 0.00 C ATOM 176 C ILE A 24 4.834 2.637 1.613 1.00 0.00 C ATOM 177 O ILE A 24 3.816 3.295 1.815 1.00 0.00 O ATOM 178 CB ILE A 24 5.781 1.726 -0.525 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.349 2.156 -1.874 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.377 1.160 -0.722 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.525 3.315 -2.428 1.00 0.00 C ATOM 0 H ILE A 24 7.762 2.575 0.616 1.00 0.00 H new ATOM 0 HA ILE A 24 5.286 3.772 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 24 6.423 0.962 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.391 2.457 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.332 1.318 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.422 0.299 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.970 0.853 0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.735 1.924 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.931 3.622 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.490 2.998 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.565 4.154 -1.734 1.00 0.00 H new ATOM 193 N VAL A 25 5.227 1.643 2.414 1.00 0.00 N ATOM 194 CA VAL A 25 4.472 1.267 3.592 1.00 0.00 C ATOM 195 C VAL A 25 4.285 2.479 4.493 1.00 0.00 C ATOM 196 O VAL A 25 3.203 2.692 5.034 1.00 0.00 O ATOM 197 CB VAL A 25 5.205 0.151 4.330 1.00 0.00 C ATOM 198 CG1 VAL A 25 6.189 0.760 5.325 1.00 0.00 C ATOM 199 CG2 VAL A 25 4.195 -0.714 5.078 1.00 0.00 C ATOM 0 H VAL A 25 6.068 1.088 2.259 1.00 0.00 H new ATOM 0 HA VAL A 25 3.487 0.903 3.298 1.00 0.00 H new ATOM 0 HB VAL A 25 5.748 -0.464 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.713 -0.037 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.911 1.378 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.647 1.375 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.719 -1.511 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.651 -0.100 5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.492 -1.149 4.368 1.00 0.00 H new ATOM 209 N ARG A 26 5.346 3.274 4.653 1.00 0.00 N ATOM 210 CA ARG A 26 5.294 4.458 5.487 1.00 0.00 C ATOM 211 C ARG A 26 4.190 5.384 5.000 1.00 0.00 C ATOM 212 O ARG A 26 3.393 5.876 5.796 1.00 0.00 O ATOM 213 CB ARG A 26 6.647 5.164 5.450 1.00 0.00 C ATOM 214 CG ARG A 26 6.464 6.634 5.816 1.00 0.00 C ATOM 215 CD ARG A 26 6.349 7.465 4.541 1.00 0.00 C ATOM 216 NE ARG A 26 6.879 8.814 4.744 1.00 0.00 N ATOM 217 CZ ARG A 26 8.191 9.084 4.753 1.00 0.00 C ATOM 218 NH1 ARG A 26 9.080 8.098 4.570 1.00 0.00 N ATOM 219 NH2 ARG A 26 8.616 10.340 4.945 1.00 0.00 N ATOM 0 H ARG A 26 6.250 3.111 4.211 1.00 0.00 H new ATOM 0 HA ARG A 26 5.074 4.174 6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.337 4.688 6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.087 5.078 4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.570 6.759 6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.308 6.979 6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.892 6.975 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.305 7.523 4.234 1.00 0.00 H new ATOM 0 HE ARG A 26 6.222 9.581 4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.758 7.141 4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.079 8.304 4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.940 11.091 5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.615 10.545 4.952 1.00 0.00 H new ATOM 233 N VAL A 27 4.143 5.621 3.687 1.00 0.00 N ATOM 234 CA VAL A 27 3.138 6.485 3.100 1.00 0.00 C ATOM 235 C VAL A 27 1.750 6.005 3.500 1.00 0.00 C ATOM 236 O VAL A 27 0.967 6.766 4.064 1.00 0.00 O ATOM 237 CB VAL A 27 3.294 6.488 1.582 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.933 6.720 0.932 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.250 7.604 1.172 1.00 0.00 C ATOM 0 H VAL A 27 4.797 5.220 3.014 1.00 0.00 H new ATOM 0 HA VAL A 27 3.268 7.503 3.466 1.00 0.00 H new ATOM 0 HB VAL A 27 3.694 5.528 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.043 6.722 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.249 5.924 1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.533 7.680 1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.362 7.607 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.850 8.564 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.222 7.439 1.637 1.00 0.00 H new ATOM 249 N MET A 28 1.446 4.739 3.206 1.00 0.00 N ATOM 250 CA MET A 28 0.155 4.168 3.535 1.00 0.00 C ATOM 251 C MET A 28 -0.183 4.458 4.990 1.00 0.00 C ATOM 252 O MET A 28 -1.321 4.795 5.310 1.00 0.00 O ATOM 253 CB MET A 28 0.185 2.665 3.277 1.00 0.00 C ATOM 254 CG MET A 28 0.813 2.394 1.913 1.00 0.00 C ATOM 255 SD MET A 28 0.094 0.982 1.039 1.00 0.00 S ATOM 256 CE MET A 28 0.694 -0.353 2.104 1.00 0.00 C ATOM 0 H MET A 28 2.084 4.095 2.739 1.00 0.00 H new ATOM 0 HA MET A 28 -0.615 4.617 2.908 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.756 2.163 4.058 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.826 2.259 3.310 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.708 3.284 1.293 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.881 2.221 2.044 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.226 -1.089 1.501 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.369 0.057 2.855 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.151 -0.832 2.598 1.00 0.00 H new ATOM 266 N GLN A 29 0.810 4.327 5.873 1.00 0.00 N ATOM 267 CA GLN A 29 0.612 4.574 7.287 1.00 0.00 C ATOM 268 C GLN A 29 0.129 6.002 7.499 1.00 0.00 C ATOM 269 O GLN A 29 -0.847 6.230 8.211 1.00 0.00 O ATOM 270 CB GLN A 29 1.922 4.331 8.031 1.00 0.00 C ATOM 271 CG GLN A 29 1.971 2.885 8.517 1.00 0.00 C ATOM 272 CD GLN A 29 3.330 2.561 9.120 1.00 0.00 C ATOM 273 OE1 GLN A 29 3.933 1.544 8.785 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.811 3.429 10.013 1.00 0.00 N ATOM 0 H GLN A 29 1.759 4.050 5.624 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.145 3.894 7.677 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.768 4.534 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.004 5.013 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.190 2.720 9.260 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.767 2.210 7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.272 4.260 10.258 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.717 3.262 10.450 1.00 0.00 H new ATOM 283 N LEU A 30 0.814 6.965 6.878 1.00 0.00 N ATOM 284 CA LEU A 30 0.452 8.363 7.000 1.00 0.00 C ATOM 285 C LEU A 30 -1.064 8.505 7.014 1.00 0.00 C ATOM 286 O LEU A 30 -1.755 7.881 6.211 1.00 0.00 O ATOM 287 CB LEU A 30 1.058 9.148 5.841 1.00 0.00 C ATOM 288 CG LEU A 30 2.580 9.063 5.909 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.183 9.742 4.684 1.00 0.00 C ATOM 290 CD2 LEU A 30 3.072 9.763 7.173 1.00 0.00 C ATOM 0 H LEU A 30 1.625 6.792 6.285 1.00 0.00 H new ATOM 0 HA LEU A 30 0.843 8.763 7.936 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.703 8.747 4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.739 10.189 5.887 1.00 0.00 H new ATOM 0 HG LEU A 30 2.885 8.017 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.270 9.681 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.832 9.242 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.879 10.788 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.159 9.703 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.767 10.809 7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.642 9.277 8.049 1.00 0.00 H new ATOM 302 N PRO A 31 -1.579 9.328 7.930 1.00 0.00 N ATOM 303 CA PRO A 31 -2.994 9.587 8.089 1.00 0.00 C ATOM 304 C PRO A 31 -3.488 10.448 6.935 1.00 0.00 C ATOM 305 O PRO A 31 -4.677 10.746 6.845 1.00 0.00 O ATOM 306 CB PRO A 31 -3.108 10.334 9.416 1.00 0.00 C ATOM 307 CG PRO A 31 -1.774 11.074 9.503 1.00 0.00 C ATOM 308 CD PRO A 31 -0.796 10.076 8.889 1.00 0.00 C ATOM 0 HA PRO A 31 -3.595 8.677 8.088 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.953 11.022 9.422 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.247 9.651 10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.795 12.013 8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.512 11.317 10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.038 10.586 8.406 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.371 9.420 9.649 1.00 0.00 H new ATOM 316 N ASP A 32 -2.571 10.848 6.051 1.00 0.00 N ATOM 317 CA ASP A 32 -2.918 11.672 4.911 1.00 0.00 C ATOM 318 C ASP A 32 -2.469 10.990 3.627 1.00 0.00 C ATOM 319 O ASP A 32 -2.082 11.657 2.670 1.00 0.00 O ATOM 320 CB ASP A 32 -2.258 13.041 5.055 1.00 0.00 C ATOM 321 CG ASP A 32 -3.137 13.986 5.862 1.00 0.00 C ATOM 322 OD1 ASP A 32 -3.619 13.542 6.926 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.311 15.134 5.398 1.00 0.00 O ATOM 0 H ASP A 32 -1.581 10.609 6.111 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.999 11.806 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.290 12.933 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.072 13.465 4.068 1.00 0.00 H new ATOM 329 N SER A 33 -2.522 9.656 3.607 1.00 0.00 N ATOM 330 CA SER A 33 -2.122 8.893 2.442 1.00 0.00 C ATOM 331 C SER A 33 -3.350 8.517 1.624 1.00 0.00 C ATOM 332 O SER A 33 -3.462 8.892 0.459 1.00 0.00 O ATOM 333 CB SER A 33 -1.366 7.645 2.887 1.00 0.00 C ATOM 334 OG SER A 33 -2.244 6.542 2.897 1.00 0.00 O ATOM 0 H SER A 33 -2.841 9.088 4.392 1.00 0.00 H new ATOM 0 HA SER A 33 -1.464 9.496 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.531 7.453 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.945 7.797 3.881 1.00 0.00 H new ATOM 0 HG SER A 33 -2.196 6.078 2.035 1.00 0.00 H new ATOM 340 N GLY A 34 -4.274 7.773 2.238 1.00 0.00 N ATOM 341 CA GLY A 34 -5.485 7.355 1.562 1.00 0.00 C ATOM 342 C GLY A 34 -5.914 5.979 2.052 1.00 0.00 C ATOM 343 O GLY A 34 -7.105 5.677 2.099 1.00 0.00 O ATOM 0 H GLY A 34 -4.198 7.452 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.280 8.078 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.319 7.330 0.485 1.00 0.00 H new ATOM 347 N LEU A 35 -4.939 5.144 2.419 1.00 0.00 N ATOM 348 CA LEU A 35 -5.219 3.807 2.903 1.00 0.00 C ATOM 349 C LEU A 35 -5.459 3.841 4.406 1.00 0.00 C ATOM 350 O LEU A 35 -6.427 3.264 4.895 1.00 0.00 O ATOM 351 CB LEU A 35 -4.049 2.888 2.563 1.00 0.00 C ATOM 352 CG LEU A 35 -4.296 1.507 3.162 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.732 1.076 2.873 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.329 0.502 2.541 1.00 0.00 C ATOM 0 H LEU A 35 -3.947 5.380 2.387 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.118 3.423 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.935 2.812 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.120 3.305 2.953 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.138 1.545 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.909 0.089 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.423 1.793 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.891 1.038 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.505 -0.485 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.487 0.464 1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.304 0.809 2.747 1.00 0.00 H new ATOM 366 N GLU A 36 -4.573 4.520 5.138 1.00 0.00 N ATOM 367 CA GLU A 36 -4.695 4.626 6.578 1.00 0.00 C ATOM 368 C GLU A 36 -4.677 3.238 7.204 1.00 0.00 C ATOM 369 O GLU A 36 -5.551 2.419 6.929 1.00 0.00 O ATOM 370 CB GLU A 36 -5.988 5.358 6.925 1.00 0.00 C ATOM 371 CG GLU A 36 -5.655 6.702 7.566 1.00 0.00 C ATOM 372 CD GLU A 36 -6.209 7.852 6.736 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.510 8.249 5.779 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.320 8.312 7.075 1.00 0.00 O ATOM 0 H GLU A 36 -3.764 5.003 4.748 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.853 5.192 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.585 5.510 6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.587 4.756 7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.070 6.742 8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.574 6.806 7.663 1.00 0.00 H new ATOM 382 N ILE A 37 -3.677 2.976 8.049 1.00 0.00 N ATOM 383 CA ILE A 37 -3.549 1.694 8.712 1.00 0.00 C ATOM 384 C ILE A 37 -3.750 1.867 10.211 1.00 0.00 C ATOM 385 O ILE A 37 -2.840 2.302 10.914 1.00 0.00 O ATOM 386 CB ILE A 37 -2.175 1.103 8.413 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.715 1.554 7.030 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.258 -0.421 8.449 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.524 0.823 5.962 1.00 0.00 C ATOM 0 H ILE A 37 -2.944 3.645 8.285 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.312 1.009 8.341 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.462 1.447 9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.844 2.631 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.653 1.346 6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.276 -0.844 8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.585 -0.744 9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.972 -0.764 7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.196 1.145 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.372 -0.252 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.582 1.053 6.086 1.00 0.00 H new ATOM 401 N ARG A 38 -4.944 1.524 10.699 1.00 0.00 N ATOM 402 CA ARG A 38 -5.257 1.644 12.108 1.00 0.00 C ATOM 403 C ARG A 38 -6.697 1.216 12.355 1.00 0.00 C ATOM 404 O ARG A 38 -7.005 0.639 13.395 1.00 0.00 O ATOM 405 CB ARG A 38 -5.038 3.086 12.557 1.00 0.00 C ATOM 406 CG ARG A 38 -3.776 3.166 13.411 1.00 0.00 C ATOM 407 CD ARG A 38 -2.903 4.319 12.923 1.00 0.00 C ATOM 408 NE ARG A 38 -1.762 4.528 13.815 1.00 0.00 N ATOM 409 CZ ARG A 38 -1.038 5.655 13.815 1.00 0.00 C ATOM 410 NH1 ARG A 38 -1.349 6.651 12.974 1.00 0.00 N ATOM 411 NH2 ARG A 38 -0.003 5.787 14.655 1.00 0.00 N ATOM 0 H ARG A 38 -5.707 1.160 10.129 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.601 0.994 12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.945 3.738 11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.899 3.435 13.127 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.041 3.315 14.458 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.224 2.228 13.352 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.547 4.108 11.915 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.497 5.231 12.867 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.507 3.784 14.464 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.137 6.551 12.334 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.798 7.509 12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.234 5.029 15.295 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.548 6.645 14.655 1.00 0.00 H new ATOM 425 N ASP A 39 -7.579 1.501 11.394 1.00 0.00 N ATOM 426 CA ASP A 39 -8.979 1.146 11.512 1.00 0.00 C ATOM 427 C ASP A 39 -9.545 0.820 10.138 1.00 0.00 C ATOM 428 O ASP A 39 -9.384 1.596 9.199 1.00 0.00 O ATOM 429 CB ASP A 39 -9.744 2.301 12.152 1.00 0.00 C ATOM 430 CG ASP A 39 -8.864 3.056 13.138 1.00 0.00 C ATOM 431 OD1 ASP A 39 -8.151 3.973 12.676 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.920 2.702 14.336 1.00 0.00 O ATOM 0 H ASP A 39 -7.338 1.979 10.525 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.083 0.264 12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.096 2.982 11.378 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.626 1.918 12.665 1.00 0.00 H new ATOM 438 N ARG A 40 -10.209 -0.332 10.022 1.00 0.00 N ATOM 439 CA ARG A 40 -10.794 -0.755 8.765 1.00 0.00 C ATOM 440 C ARG A 40 -11.926 -1.738 9.028 1.00 0.00 C ATOM 441 O ARG A 40 -12.223 -2.053 10.178 1.00 0.00 O ATOM 442 CB ARG A 40 -9.716 -1.393 7.894 1.00 0.00 C ATOM 443 CG ARG A 40 -8.973 -0.305 7.124 1.00 0.00 C ATOM 444 CD ARG A 40 -8.984 -0.636 5.635 1.00 0.00 C ATOM 445 NE ARG A 40 -9.289 0.550 4.835 1.00 0.00 N ATOM 446 CZ ARG A 40 -10.532 1.032 4.695 1.00 0.00 C ATOM 447 NH1 ARG A 40 -11.559 0.422 5.302 1.00 0.00 N ATOM 448 NH2 ARG A 40 -10.748 2.123 3.947 1.00 0.00 N ATOM 0 H ARG A 40 -10.351 -0.986 10.792 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.204 0.108 8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.018 -1.955 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.167 -2.101 7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.444 0.663 7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.947 -0.228 7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.014 -1.037 5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.723 -1.412 5.437 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.523 1.031 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.395 -0.409 5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.505 0.789 5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.966 2.587 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.694 2.489 3.841 1.00 0.00 H new ATOM 462 N MET A 41 -12.559 -2.222 7.957 1.00 0.00 N ATOM 463 CA MET A 41 -13.654 -3.164 8.080 1.00 0.00 C ATOM 464 C MET A 41 -13.331 -4.438 7.312 1.00 0.00 C ATOM 465 O MET A 41 -12.680 -4.390 6.271 1.00 0.00 O ATOM 466 CB MET A 41 -14.935 -2.524 7.550 1.00 0.00 C ATOM 467 CG MET A 41 -15.452 -1.507 8.563 1.00 0.00 C ATOM 468 SD MET A 41 -17.257 -1.417 8.659 1.00 0.00 S ATOM 469 CE MET A 41 -17.587 -3.027 9.416 1.00 0.00 C ATOM 0 H MET A 41 -12.325 -1.971 6.996 1.00 0.00 H new ATOM 0 HA MET A 41 -13.798 -3.424 9.129 1.00 0.00 H new ATOM 0 HB2 MET A 41 -14.742 -2.036 6.595 1.00 0.00 H new ATOM 0 HB3 MET A 41 -15.689 -3.290 7.370 1.00 0.00 H new ATOM 0 HG2 MET A 41 -15.058 -1.758 9.548 1.00 0.00 H new ATOM 0 HG3 MET A 41 -15.062 -0.522 8.305 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.663 -3.166 9.521 1.00 0.00 H new ATOM 0 HE2 MET A 41 -17.179 -3.816 8.785 1.00 0.00 H new ATOM 0 HE3 MET A 41 -17.118 -3.070 10.399 1.00 0.00 H new ATOM 479 N TRP A 42 -13.789 -5.580 7.829 1.00 0.00 N ATOM 480 CA TRP A 42 -13.547 -6.857 7.187 1.00 0.00 C ATOM 481 C TRP A 42 -14.487 -7.910 7.756 1.00 0.00 C ATOM 482 O TRP A 42 -14.683 -7.982 8.967 1.00 0.00 O ATOM 483 CB TRP A 42 -12.091 -7.262 7.396 1.00 0.00 C ATOM 484 CG TRP A 42 -11.734 -8.618 6.878 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.151 -9.600 7.600 1.00 0.00 C ATOM 486 CD2 TRP A 42 -11.924 -9.167 5.539 1.00 0.00 C ATOM 487 NE1 TRP A 42 -10.968 -10.712 6.804 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.428 -10.499 5.520 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.464 -8.676 4.337 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.465 -11.299 4.375 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.506 -9.471 3.182 1.00 0.00 C ATOM 492 CH2 TRP A 42 -12.009 -10.779 3.197 1.00 0.00 C ATOM 0 H TRP A 42 -14.329 -5.638 8.692 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.737 -6.771 6.117 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.451 -6.524 6.912 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.869 -7.226 8.463 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.871 -9.526 8.640 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.545 -11.583 7.124 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.853 -7.669 4.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -11.078 -12.307 4.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.926 -9.069 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.046 -11.384 2.303 1.00 0.00 H new ATOM 503 N LEU A 43 -15.070 -8.728 6.877 1.00 0.00 N ATOM 504 CA LEU A 43 -15.985 -9.772 7.293 1.00 0.00 C ATOM 505 C LEU A 43 -17.274 -9.151 7.815 1.00 0.00 C ATOM 506 O LEU A 43 -18.093 -9.836 8.423 1.00 0.00 O ATOM 507 CB LEU A 43 -15.323 -10.628 8.369 1.00 0.00 C ATOM 508 CG LEU A 43 -14.734 -11.882 7.730 1.00 0.00 C ATOM 509 CD1 LEU A 43 -13.211 -11.791 7.741 1.00 0.00 C ATOM 510 CD2 LEU A 43 -15.176 -13.111 8.519 1.00 0.00 C ATOM 0 H LEU A 43 -14.918 -8.680 5.870 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.230 -10.407 6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.539 -10.060 8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -16.053 -10.903 9.130 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.086 -11.965 6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.790 -12.687 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.895 -10.913 7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.859 -11.708 8.769 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.755 -14.007 8.063 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.825 -13.029 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -16.264 -13.176 8.511 1.00 0.00 H new ATOM 522 N LYS A 44 -17.451 -7.850 7.577 1.00 0.00 N ATOM 523 CA LYS A 44 -18.637 -7.147 8.023 1.00 0.00 C ATOM 524 C LYS A 44 -18.454 -6.686 9.462 1.00 0.00 C ATOM 525 O LYS A 44 -19.425 -6.347 10.136 1.00 0.00 O ATOM 526 CB LYS A 44 -19.849 -8.065 7.899 1.00 0.00 C ATOM 527 CG LYS A 44 -20.140 -8.707 9.252 1.00 0.00 C ATOM 528 CD LYS A 44 -21.385 -8.068 9.862 1.00 0.00 C ATOM 529 CE LYS A 44 -21.490 -8.459 11.333 1.00 0.00 C ATOM 530 NZ LYS A 44 -22.889 -8.445 11.785 1.00 0.00 N ATOM 0 H LYS A 44 -16.781 -7.267 7.075 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.799 -6.268 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.716 -7.497 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.660 -8.836 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.290 -9.780 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.288 -8.577 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -21.334 -6.983 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.275 -8.394 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.067 -9.453 11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.902 -7.770 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.932 -8.715 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.283 -7.490 11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.443 -9.121 11.221 1.00 0.00 H new ATOM 544 N ILE A 45 -17.205 -6.675 9.933 1.00 0.00 N ATOM 545 CA ILE A 45 -16.899 -6.256 11.286 1.00 0.00 C ATOM 546 C ILE A 45 -15.968 -5.052 11.255 1.00 0.00 C ATOM 547 O ILE A 45 -15.601 -4.578 10.182 1.00 0.00 O ATOM 548 CB ILE A 45 -16.260 -7.416 12.045 1.00 0.00 C ATOM 549 CG1 ILE A 45 -16.816 -8.736 11.519 1.00 0.00 C ATOM 550 CG2 ILE A 45 -16.578 -7.286 13.532 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.124 -9.897 12.228 1.00 0.00 C ATOM 0 H ILE A 45 -16.390 -6.955 9.387 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.817 -5.967 11.798 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.180 -7.394 11.901 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.892 -8.783 11.687 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.658 -8.807 10.443 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.122 -8.114 14.075 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.181 -6.343 13.908 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -17.658 -7.308 13.676 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.520 -10.841 11.853 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.052 -9.853 12.037 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.305 -9.828 13.301 1.00 0.00 H new ATOM 563 N THR A 46 -15.586 -4.558 12.434 1.00 0.00 N ATOM 564 CA THR A 46 -14.701 -3.415 12.530 1.00 0.00 C ATOM 565 C THR A 46 -13.502 -3.759 13.404 1.00 0.00 C ATOM 566 O THR A 46 -13.662 -4.286 14.502 1.00 0.00 O ATOM 567 CB THR A 46 -15.466 -2.227 13.106 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.457 -1.818 12.190 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.500 -1.073 13.359 1.00 0.00 C ATOM 0 H THR A 46 -15.881 -4.939 13.333 1.00 0.00 H new ATOM 0 HA THR A 46 -14.337 -3.150 11.537 1.00 0.00 H new ATOM 0 HB THR A 46 -15.936 -2.519 14.045 1.00 0.00 H new ATOM 0 HG1 THR A 46 -16.950 -1.056 12.560 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.047 -0.224 13.770 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.734 -1.389 14.067 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.029 -0.781 12.421 1.00 0.00 H new ATOM 577 N ILE A 47 -12.298 -3.458 12.911 1.00 0.00 N ATOM 578 CA ILE A 47 -11.080 -3.733 13.645 1.00 0.00 C ATOM 579 C ILE A 47 -10.264 -2.456 13.786 1.00 0.00 C ATOM 580 O ILE A 47 -10.344 -1.570 12.937 1.00 0.00 O ATOM 581 CB ILE A 47 -10.279 -4.809 12.916 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.140 -6.058 12.749 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.034 -5.154 13.729 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.899 -5.980 11.427 1.00 0.00 C ATOM 0 H ILE A 47 -12.150 -3.022 12.001 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.326 -4.096 14.643 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.981 -4.439 11.935 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.514 -6.950 12.769 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.842 -6.143 13.579 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.461 -5.922 13.209 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.419 -4.262 13.849 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.331 -5.524 14.710 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.514 -6.872 11.307 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.537 -5.096 11.425 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.189 -5.916 10.603 1.00 0.00 H new ATOM 596 N ALA A 48 -9.479 -2.362 14.861 1.00 0.00 N ATOM 597 CA ALA A 48 -8.655 -1.195 15.107 1.00 0.00 C ATOM 598 C ALA A 48 -7.242 -1.446 14.602 1.00 0.00 C ATOM 599 O ALA A 48 -6.273 -1.210 15.320 1.00 0.00 O ATOM 600 CB ALA A 48 -8.648 -0.885 16.601 1.00 0.00 C ATOM 0 H ALA A 48 -9.402 -3.088 15.573 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.063 -0.337 14.573 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.029 -0.008 16.788 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.666 -0.688 16.937 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.244 -1.737 17.148 1.00 0.00 H new ATOM 606 N ASN A 49 -7.125 -1.926 13.362 1.00 0.00 N ATOM 607 CA ASN A 49 -5.832 -2.205 12.770 1.00 0.00 C ATOM 608 C ASN A 49 -5.967 -3.301 11.722 1.00 0.00 C ATOM 609 O ASN A 49 -5.834 -4.482 12.035 1.00 0.00 O ATOM 610 CB ASN A 49 -4.853 -2.620 13.864 1.00 0.00 C ATOM 611 CG ASN A 49 -4.089 -1.416 14.395 1.00 0.00 C ATOM 612 OD1 ASN A 49 -3.565 -0.591 13.486 1.00 0.00 O flip ATOM 613 ND2 ASN A 49 -3.975 -1.236 15.605 1.00 0.00 N flip ATOM 0 H ASN A 49 -7.918 -2.127 12.753 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.452 -1.309 12.280 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.395 -3.100 14.679 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.152 -3.356 13.470 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.394 -1.896 16.260 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.461 -0.427 15.954 1.00 0.00 H new ATOM 620 N ALA A 50 -6.230 -2.906 10.474 1.00 0.00 N ATOM 621 CA ALA A 50 -6.382 -3.853 9.388 1.00 0.00 C ATOM 622 C ALA A 50 -5.981 -3.199 8.074 1.00 0.00 C ATOM 623 O ALA A 50 -6.031 -1.978 7.946 1.00 0.00 O ATOM 624 CB ALA A 50 -7.829 -4.336 9.333 1.00 0.00 C ATOM 0 H ALA A 50 -6.341 -1.930 10.199 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.733 -4.712 9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.944 -5.048 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.087 -4.819 10.275 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.490 -3.485 9.168 1.00 0.00 H new ATOM 630 N VAL A 51 -5.582 -4.016 7.096 1.00 0.00 N ATOM 631 CA VAL A 51 -5.175 -3.514 5.799 1.00 0.00 C ATOM 632 C VAL A 51 -4.638 -4.658 4.950 1.00 0.00 C ATOM 633 O VAL A 51 -5.099 -4.872 3.831 1.00 0.00 O ATOM 634 CB VAL A 51 -4.113 -2.433 5.983 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.776 -1.059 5.951 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.415 -2.630 7.325 1.00 0.00 C ATOM 0 H VAL A 51 -5.535 -5.031 7.187 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.033 -3.078 5.287 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.380 -2.502 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.018 -0.286 6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.276 -0.918 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.508 -0.990 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.656 -1.859 7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.147 -2.561 8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.942 -3.612 7.348 1.00 0.00 H new ATOM 646 N ILE A 52 -3.662 -5.395 5.486 1.00 0.00 N ATOM 647 CA ILE A 52 -3.069 -6.512 4.779 1.00 0.00 C ATOM 648 C ILE A 52 -2.603 -6.062 3.402 1.00 0.00 C ATOM 649 O ILE A 52 -2.868 -4.933 2.994 1.00 0.00 O ATOM 650 CB ILE A 52 -4.091 -7.640 4.663 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.380 -8.985 4.778 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.796 -7.550 3.313 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.379 -10.053 5.214 1.00 0.00 C ATOM 0 H ILE A 52 -3.270 -5.230 6.413 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.204 -6.879 5.331 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.826 -7.549 5.463 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.936 -9.257 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.566 -8.917 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.526 -8.355 3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.304 -6.589 3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.062 -7.641 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.871 -11.014 5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.802 -9.782 6.181 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.178 -10.127 4.476 1.00 0.00 H new ATOM 665 N GLY A 53 -1.906 -6.947 2.685 1.00 0.00 N ATOM 666 CA GLY A 53 -1.410 -6.631 1.361 1.00 0.00 C ATOM 667 C GLY A 53 -2.563 -6.256 0.441 1.00 0.00 C ATOM 668 O GLY A 53 -2.394 -5.457 -0.478 1.00 0.00 O ATOM 0 H GLY A 53 -1.677 -7.887 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.699 -5.807 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.873 -7.487 0.952 1.00 0.00 H new ATOM 672 N ALA A 54 -3.739 -6.837 0.690 1.00 0.00 N ATOM 673 CA ALA A 54 -4.912 -6.565 -0.116 1.00 0.00 C ATOM 674 C ALA A 54 -5.124 -5.061 -0.226 1.00 0.00 C ATOM 675 O ALA A 54 -5.088 -4.506 -1.321 1.00 0.00 O ATOM 676 CB ALA A 54 -6.128 -7.237 0.515 1.00 0.00 C ATOM 0 H ALA A 54 -3.895 -7.500 1.449 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.771 -6.967 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.011 -7.033 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.963 -8.313 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.279 -6.845 1.521 1.00 0.00 H new ATOM 682 N ASP A 55 -5.345 -4.403 0.914 1.00 0.00 N ATOM 683 CA ASP A 55 -5.562 -2.970 0.940 1.00 0.00 C ATOM 684 C ASP A 55 -4.306 -2.251 0.470 1.00 0.00 C ATOM 685 O ASP A 55 -4.377 -1.364 -0.378 1.00 0.00 O ATOM 686 CB ASP A 55 -5.937 -2.538 2.355 1.00 0.00 C ATOM 687 CG ASP A 55 -6.942 -1.396 2.326 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.745 -1.323 3.282 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.889 -0.617 1.350 1.00 0.00 O ATOM 0 H ASP A 55 -5.377 -4.849 1.831 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.379 -2.709 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.358 -3.384 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.042 -2.226 2.894 1.00 0.00 H new ATOM 695 N VAL A 56 -3.154 -2.635 1.025 1.00 0.00 N ATOM 696 CA VAL A 56 -1.890 -2.026 0.661 1.00 0.00 C ATOM 697 C VAL A 56 -1.766 -1.963 -0.854 1.00 0.00 C ATOM 698 O VAL A 56 -1.193 -1.019 -1.393 1.00 0.00 O ATOM 699 CB VAL A 56 -0.745 -2.834 1.265 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.582 -2.151 0.948 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.925 -2.918 2.778 1.00 0.00 C ATOM 0 H VAL A 56 -3.079 -3.368 1.730 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.845 -1.009 1.052 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.747 -3.839 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.400 -2.728 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.711 -2.090 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.584 -1.146 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.107 -3.495 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.923 -1.913 3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.873 -3.406 3.005 1.00 0.00 H new ATOM 711 N VAL A 57 -2.306 -2.973 -1.541 1.00 0.00 N ATOM 712 CA VAL A 57 -2.253 -3.027 -2.988 1.00 0.00 C ATOM 713 C VAL A 57 -3.308 -2.102 -3.577 1.00 0.00 C ATOM 714 O VAL A 57 -2.978 -1.133 -4.257 1.00 0.00 O ATOM 715 CB VAL A 57 -2.475 -4.464 -3.451 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.564 -4.501 -4.974 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.309 -5.333 -2.988 1.00 0.00 C ATOM 0 H VAL A 57 -2.785 -3.763 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.274 -2.695 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.403 -4.844 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.723 -5.528 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.397 -3.881 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.636 -4.121 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.467 -6.360 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.380 -4.953 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.246 -5.308 -1.900 1.00 0.00 H new ATOM 727 N ASP A 58 -4.582 -2.402 -3.314 1.00 0.00 N ATOM 728 CA ASP A 58 -5.677 -1.598 -3.818 1.00 0.00 C ATOM 729 C ASP A 58 -5.332 -0.121 -3.692 1.00 0.00 C ATOM 730 O ASP A 58 -5.807 0.698 -4.475 1.00 0.00 O ATOM 731 CB ASP A 58 -6.948 -1.925 -3.039 1.00 0.00 C ATOM 732 CG ASP A 58 -7.505 -3.280 -3.451 1.00 0.00 C ATOM 733 OD1 ASP A 58 -6.885 -3.901 -4.342 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.540 -3.670 -2.869 1.00 0.00 O ATOM 0 H ASP A 58 -4.873 -3.202 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.844 -1.823 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.734 -1.925 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.696 -1.152 -3.214 1.00 0.00 H new ATOM 740 N TRP A 59 -4.502 0.219 -2.703 1.00 0.00 N ATOM 741 CA TRP A 59 -4.100 1.594 -2.485 1.00 0.00 C ATOM 742 C TRP A 59 -3.026 1.985 -3.489 1.00 0.00 C ATOM 743 O TRP A 59 -3.259 2.825 -4.356 1.00 0.00 O ATOM 744 CB TRP A 59 -3.589 1.753 -1.056 1.00 0.00 C ATOM 745 CG TRP A 59 -3.233 3.152 -0.667 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.105 4.088 -0.234 1.00 0.00 C ATOM 747 CD2 TRP A 59 -1.923 3.798 -0.666 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.431 5.260 0.033 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.079 5.137 -0.217 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.619 3.390 -1.000 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.004 6.023 -0.105 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.467 4.270 -0.891 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.279 5.584 -0.445 1.00 0.00 C ATOM 0 H TRP A 59 -4.099 -0.447 -2.044 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.956 2.253 -2.626 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.351 1.383 -0.370 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.710 1.121 -0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.168 3.941 -0.115 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.876 6.113 0.373 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.451 2.381 -1.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.162 7.034 0.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.458 3.931 -1.154 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.121 6.255 -0.364 1.00 0.00 H new ATOM 764 N LEU A 60 -1.845 1.373 -3.371 1.00 0.00 N ATOM 765 CA LEU A 60 -0.742 1.659 -4.266 1.00 0.00 C ATOM 766 C LEU A 60 -1.272 1.949 -5.663 1.00 0.00 C ATOM 767 O LEU A 60 -0.763 2.830 -6.352 1.00 0.00 O ATOM 768 CB LEU A 60 0.216 0.471 -4.288 1.00 0.00 C ATOM 769 CG LEU A 60 1.240 0.623 -3.166 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.801 -0.748 -2.801 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.375 1.530 -3.633 1.00 0.00 C ATOM 0 H LEU A 60 -1.636 0.674 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.203 2.538 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.338 -0.459 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.722 0.416 -5.252 1.00 0.00 H new ATOM 0 HG LEU A 60 0.760 1.063 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.532 -0.640 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.990 -1.396 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.282 -1.189 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.107 1.639 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.856 1.090 -4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.974 2.509 -3.894 1.00 0.00 H new ATOM 783 N TYR A 61 -2.299 1.205 -6.080 1.00 0.00 N ATOM 784 CA TYR A 61 -2.890 1.386 -7.391 1.00 0.00 C ATOM 785 C TYR A 61 -3.780 2.621 -7.390 1.00 0.00 C ATOM 786 O TYR A 61 -3.664 3.473 -8.267 1.00 0.00 O ATOM 787 CB TYR A 61 -3.691 0.142 -7.762 1.00 0.00 C ATOM 788 CG TYR A 61 -4.433 0.271 -9.071 1.00 0.00 C ATOM 789 CD1 TYR A 61 -5.695 0.878 -9.103 1.00 0.00 C ATOM 790 CD2 TYR A 61 -3.860 -0.215 -10.252 1.00 0.00 C ATOM 791 CE1 TYR A 61 -6.383 0.998 -10.316 1.00 0.00 C ATOM 792 CE2 TYR A 61 -4.548 -0.094 -11.465 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.810 0.513 -11.497 1.00 0.00 C ATOM 794 OH TYR A 61 -6.480 0.630 -12.679 1.00 0.00 O ATOM 0 H TYR A 61 -2.734 0.471 -5.520 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.104 1.531 -8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.016 -0.712 -7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.406 -0.070 -6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.137 1.253 -8.192 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.887 -0.683 -10.227 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.356 1.465 -10.341 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.106 -0.469 -12.376 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.941 0.243 -13.400 1.00 0.00 H new ATOM 804 N THR A 62 -4.671 2.716 -6.400 1.00 0.00 N ATOM 805 CA THR A 62 -5.572 3.846 -6.294 1.00 0.00 C ATOM 806 C THR A 62 -4.819 5.064 -5.781 1.00 0.00 C ATOM 807 O THR A 62 -5.414 6.114 -5.550 1.00 0.00 O ATOM 808 CB THR A 62 -6.724 3.490 -5.358 1.00 0.00 C ATOM 809 OG1 THR A 62 -7.835 4.308 -5.649 1.00 0.00 O ATOM 810 CG2 THR A 62 -6.292 3.714 -3.911 1.00 0.00 C ATOM 0 H THR A 62 -4.781 2.019 -5.664 1.00 0.00 H new ATOM 0 HA THR A 62 -5.978 4.084 -7.277 1.00 0.00 H new ATOM 0 HB THR A 62 -6.996 2.444 -5.498 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.537 5.233 -5.773 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.114 3.460 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.433 3.082 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.020 4.760 -3.770 1.00 0.00 H new ATOM 818 N HIS A 63 -3.503 4.924 -5.605 1.00 0.00 N ATOM 819 CA HIS A 63 -2.678 6.013 -5.119 1.00 0.00 C ATOM 820 C HIS A 63 -1.830 6.568 -6.255 1.00 0.00 C ATOM 821 O HIS A 63 -2.108 7.649 -6.769 1.00 0.00 O ATOM 822 CB HIS A 63 -1.795 5.512 -3.980 1.00 0.00 C ATOM 823 CG HIS A 63 -1.432 6.599 -3.007 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.166 6.943 -2.616 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -2.312 7.428 -2.350 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 -0.271 7.998 -1.705 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -1.584 8.254 -1.577 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.992 4.062 -5.795 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.314 6.815 -4.743 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.312 4.713 -3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.883 5.082 -4.395 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.388 7.418 -2.439 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.540 8.506 -1.204 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.976 8.978 -0.974 1.00 0.00 H new ATOM 835 N VAL A 64 -0.793 5.824 -6.645 1.00 0.00 N ATOM 836 CA VAL A 64 0.090 6.243 -7.715 1.00 0.00 C ATOM 837 C VAL A 64 0.064 5.215 -8.837 1.00 0.00 C ATOM 838 O VAL A 64 -0.771 4.314 -8.836 1.00 0.00 O ATOM 839 CB VAL A 64 1.505 6.413 -7.169 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.535 7.584 -6.190 1.00 0.00 C ATOM 841 CG2 VAL A 64 1.929 5.136 -6.449 1.00 0.00 C ATOM 0 H VAL A 64 -0.550 4.925 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.247 7.199 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 64 2.191 6.610 -7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.545 7.706 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.232 8.496 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.849 7.387 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.940 5.257 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.243 4.938 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.907 4.300 -7.148 1.00 0.00 H new ATOM 851 N GLU A 65 0.984 5.350 -9.795 1.00 0.00 N ATOM 852 CA GLU A 65 1.060 4.432 -10.914 1.00 0.00 C ATOM 853 C GLU A 65 2.515 4.130 -11.240 1.00 0.00 C ATOM 854 O GLU A 65 3.418 4.790 -10.731 1.00 0.00 O ATOM 855 CB GLU A 65 0.350 5.041 -12.119 1.00 0.00 C ATOM 856 CG GLU A 65 0.938 6.417 -12.414 1.00 0.00 C ATOM 857 CD GLU A 65 1.040 6.654 -13.914 1.00 0.00 C ATOM 858 OE1 GLU A 65 1.946 6.046 -14.524 1.00 0.00 O ATOM 859 OE2 GLU A 65 0.211 7.439 -14.423 1.00 0.00 O ATOM 0 H GLU A 65 1.685 6.091 -9.810 1.00 0.00 H new ATOM 0 HA GLU A 65 0.567 3.495 -10.653 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.463 4.392 -12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.718 5.125 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.314 7.188 -11.962 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.926 6.500 -11.961 1.00 0.00 H new ATOM 867 N GLY A 66 2.743 3.130 -12.094 1.00 0.00 N ATOM 868 CA GLY A 66 4.087 2.750 -12.482 1.00 0.00 C ATOM 869 C GLY A 66 4.200 1.235 -12.579 1.00 0.00 C ATOM 870 O GLY A 66 5.172 0.717 -13.124 1.00 0.00 O ATOM 0 H GLY A 66 2.007 2.572 -12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.338 3.202 -13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.804 3.129 -11.754 1.00 0.00 H new ATOM 874 N PHE A 67 3.202 0.525 -12.049 1.00 0.00 N ATOM 875 CA PHE A 67 3.196 -0.923 -12.079 1.00 0.00 C ATOM 876 C PHE A 67 2.467 -1.411 -13.324 1.00 0.00 C ATOM 877 O PHE A 67 1.361 -0.961 -13.614 1.00 0.00 O ATOM 878 CB PHE A 67 2.525 -1.455 -10.816 1.00 0.00 C ATOM 879 CG PHE A 67 3.245 -1.074 -9.545 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.630 -1.257 -9.444 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.530 -0.537 -8.469 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.298 -0.902 -8.266 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.198 -0.182 -7.291 1.00 0.00 C ATOM 884 CZ PHE A 67 4.582 -0.365 -7.189 1.00 0.00 C ATOM 0 H PHE A 67 2.389 0.939 -11.594 1.00 0.00 H new ATOM 0 HA PHE A 67 4.220 -1.294 -12.114 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.503 -1.079 -10.772 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.463 -2.542 -10.877 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.182 -1.672 -10.274 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.462 -0.396 -8.547 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.366 -1.042 -8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.646 0.233 -6.461 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.097 -0.092 -6.280 1.00 0.00 H new ATOM 894 N LYS A 68 3.090 -2.334 -14.060 1.00 0.00 N ATOM 895 CA LYS A 68 2.498 -2.876 -15.266 1.00 0.00 C ATOM 896 C LYS A 68 1.008 -3.104 -15.054 1.00 0.00 C ATOM 897 O LYS A 68 0.181 -2.421 -15.654 1.00 0.00 O ATOM 898 CB LYS A 68 3.198 -4.181 -15.634 1.00 0.00 C ATOM 899 CG LYS A 68 4.377 -3.883 -16.556 1.00 0.00 C ATOM 900 CD LYS A 68 5.684 -4.106 -15.800 1.00 0.00 C ATOM 901 CE LYS A 68 6.853 -4.063 -16.779 1.00 0.00 C ATOM 902 NZ LYS A 68 7.350 -5.416 -17.069 1.00 0.00 N ATOM 0 H LYS A 68 4.008 -2.717 -13.833 1.00 0.00 H new ATOM 0 HA LYS A 68 2.623 -2.168 -16.086 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.546 -4.686 -14.733 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.498 -4.855 -16.127 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.338 -4.528 -17.434 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.322 -2.855 -16.913 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.809 -3.340 -15.035 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.660 -5.068 -15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.539 -3.581 -17.705 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.658 -3.458 -16.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.145 -5.358 -17.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.671 -5.864 -16.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.586 -5.984 -17.488 1.00 0.00 H new ATOM 916 N GLU A 69 0.667 -4.070 -14.198 1.00 0.00 N ATOM 917 CA GLU A 69 -0.720 -4.381 -13.913 1.00 0.00 C ATOM 918 C GLU A 69 -0.848 -4.941 -12.504 1.00 0.00 C ATOM 919 O GLU A 69 0.052 -4.776 -11.683 1.00 0.00 O ATOM 920 CB GLU A 69 -1.237 -5.382 -14.942 1.00 0.00 C ATOM 921 CG GLU A 69 -2.605 -4.932 -15.447 1.00 0.00 C ATOM 922 CD GLU A 69 -3.144 -5.900 -16.491 1.00 0.00 C ATOM 923 OE1 GLU A 69 -3.079 -5.539 -17.686 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.610 -6.982 -16.074 1.00 0.00 O ATOM 0 H GLU A 69 1.340 -4.647 -13.693 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.319 -3.472 -13.975 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.537 -5.458 -15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.310 -6.374 -14.495 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.302 -4.867 -14.612 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.528 -3.933 -15.877 1.00 0.00 H new ATOM 932 N ARG A 70 -1.971 -5.607 -12.225 1.00 0.00 N ATOM 933 CA ARG A 70 -2.212 -6.187 -10.919 1.00 0.00 C ATOM 934 C ARG A 70 -1.005 -7.009 -10.490 1.00 0.00 C ATOM 935 O ARG A 70 -0.801 -7.240 -9.300 1.00 0.00 O ATOM 936 CB ARG A 70 -3.465 -7.056 -10.974 1.00 0.00 C ATOM 937 CG ARG A 70 -3.774 -7.591 -9.578 1.00 0.00 C ATOM 938 CD ARG A 70 -3.677 -9.114 -9.584 1.00 0.00 C ATOM 939 NE ARG A 70 -4.942 -9.723 -9.172 1.00 0.00 N ATOM 940 CZ ARG A 70 -5.216 -11.022 -9.353 1.00 0.00 C ATOM 941 NH1 ARG A 70 -4.312 -11.822 -9.933 1.00 0.00 N ATOM 942 NH2 ARG A 70 -6.394 -11.520 -8.954 1.00 0.00 N ATOM 0 H ARG A 70 -2.726 -5.754 -12.895 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.366 -5.394 -10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.308 -6.474 -11.347 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.317 -7.883 -11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.074 -7.174 -8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.773 -7.281 -9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.411 -9.461 -10.582 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.880 -9.434 -8.913 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.646 -9.133 -8.728 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.415 -11.442 -10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.520 -12.811 -10.071 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.082 -10.910 -8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.603 -12.509 -9.092 1.00 0.00 H new ATOM 956 N ARG A 71 -0.203 -7.449 -11.462 1.00 0.00 N ATOM 957 CA ARG A 71 0.977 -8.241 -11.181 1.00 0.00 C ATOM 958 C ARG A 71 2.024 -7.379 -10.490 1.00 0.00 C ATOM 959 O ARG A 71 2.257 -7.523 -9.292 1.00 0.00 O ATOM 960 CB ARG A 71 1.524 -8.817 -12.484 1.00 0.00 C ATOM 961 CG ARG A 71 1.798 -10.307 -12.306 1.00 0.00 C ATOM 962 CD ARG A 71 0.476 -11.069 -12.287 1.00 0.00 C ATOM 963 NE ARG A 71 0.300 -11.845 -13.515 1.00 0.00 N ATOM 964 CZ ARG A 71 -0.328 -11.362 -14.595 1.00 0.00 C ATOM 965 NH1 ARG A 71 -0.825 -10.118 -14.580 1.00 0.00 N ATOM 966 NH2 ARG A 71 -0.460 -12.123 -15.690 1.00 0.00 N ATOM 0 H ARG A 71 -0.358 -7.264 -12.453 1.00 0.00 H new ATOM 0 HA ARG A 71 0.717 -9.065 -10.516 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.808 -8.662 -13.291 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.440 -8.299 -12.767 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.428 -10.671 -13.117 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.343 -10.479 -11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.449 -11.735 -11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.351 -10.367 -12.174 1.00 0.00 H new ATOM 0 HE ARG A 71 0.671 -12.794 -13.550 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.725 -9.539 -13.746 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.303 -9.750 -15.402 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.082 -13.070 -15.701 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.938 -11.755 -16.512 1.00 0.00 H new ATOM 980 N GLU A 72 2.656 -6.481 -11.249 1.00 0.00 N ATOM 981 CA GLU A 72 3.671 -5.602 -10.705 1.00 0.00 C ATOM 982 C GLU A 72 3.207 -5.037 -9.370 1.00 0.00 C ATOM 983 O GLU A 72 3.995 -4.923 -8.433 1.00 0.00 O ATOM 984 CB GLU A 72 3.957 -4.480 -11.698 1.00 0.00 C ATOM 985 CG GLU A 72 4.959 -4.966 -12.741 1.00 0.00 C ATOM 986 CD GLU A 72 6.336 -5.159 -12.123 1.00 0.00 C ATOM 987 OE1 GLU A 72 6.511 -6.190 -11.438 1.00 0.00 O ATOM 988 OE2 GLU A 72 7.188 -4.273 -12.347 1.00 0.00 O ATOM 0 H GLU A 72 2.476 -6.350 -12.244 1.00 0.00 H new ATOM 0 HA GLU A 72 4.590 -6.164 -10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.033 -4.166 -12.184 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.354 -3.610 -11.175 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.614 -5.906 -13.172 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.020 -4.245 -13.556 1.00 0.00 H new ATOM 996 N ALA A 73 1.923 -4.683 -9.285 1.00 0.00 N ATOM 997 CA ALA A 73 1.361 -4.131 -8.069 1.00 0.00 C ATOM 998 C ALA A 73 1.544 -5.117 -6.923 1.00 0.00 C ATOM 999 O ALA A 73 2.151 -4.785 -5.907 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.118 -3.825 -8.286 1.00 0.00 C ATOM 0 H ALA A 73 1.257 -4.773 -10.052 1.00 0.00 H new ATOM 0 HA ALA A 73 1.877 -3.205 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.542 -3.410 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.225 -3.103 -9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.645 -4.743 -8.546 1.00 0.00 H new ATOM 1006 N ARG A 74 1.017 -6.332 -7.089 1.00 0.00 N ATOM 1007 CA ARG A 74 1.124 -7.357 -6.070 1.00 0.00 C ATOM 1008 C ARG A 74 2.589 -7.680 -5.815 1.00 0.00 C ATOM 1009 O ARG A 74 2.940 -8.176 -4.747 1.00 0.00 O ATOM 1010 CB ARG A 74 0.367 -8.603 -6.523 1.00 0.00 C ATOM 1011 CG ARG A 74 0.373 -9.637 -5.401 1.00 0.00 C ATOM 1012 CD ARG A 74 -0.927 -10.436 -5.437 1.00 0.00 C ATOM 1013 NE ARG A 74 -0.662 -11.873 -5.375 1.00 0.00 N ATOM 1014 CZ ARG A 74 -1.553 -12.793 -5.769 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -2.745 -12.410 -6.247 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -1.252 -14.096 -5.687 1.00 0.00 N ATOM 0 H ARG A 74 0.512 -6.623 -7.926 1.00 0.00 H new ATOM 0 HA ARG A 74 0.684 -6.998 -5.139 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.658 -8.343 -6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.831 -9.018 -7.418 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.226 -10.306 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.481 -9.141 -4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.561 -10.143 -4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.476 -10.203 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 74 0.239 -12.188 -5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.974 -11.418 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.423 -13.110 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -0.344 -14.388 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.931 -14.796 -5.987 1.00 0.00 H new ATOM 1030 N LYS A 75 3.445 -7.397 -6.800 1.00 0.00 N ATOM 1031 CA LYS A 75 4.865 -7.659 -6.675 1.00 0.00 C ATOM 1032 C LYS A 75 5.482 -6.698 -5.668 1.00 0.00 C ATOM 1033 O LYS A 75 6.301 -7.100 -4.845 1.00 0.00 O ATOM 1034 CB LYS A 75 5.531 -7.511 -8.040 1.00 0.00 C ATOM 1035 CG LYS A 75 6.013 -8.876 -8.521 1.00 0.00 C ATOM 1036 CD LYS A 75 6.548 -8.755 -9.945 1.00 0.00 C ATOM 1037 CE LYS A 75 7.274 -10.042 -10.327 1.00 0.00 C ATOM 1038 NZ LYS A 75 8.410 -9.763 -11.218 1.00 0.00 N ATOM 0 H LYS A 75 3.170 -6.985 -7.692 1.00 0.00 H new ATOM 0 HA LYS A 75 5.020 -8.677 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.826 -7.089 -8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.371 -6.819 -7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.793 -9.252 -7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.194 -9.595 -8.489 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.728 -8.568 -10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.228 -7.906 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.628 -10.544 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.580 -10.723 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.886 -10.654 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.066 -9.305 -12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.082 -9.132 -10.736 1.00 0.00 H new ATOM 1052 N TYR A 76 5.086 -5.425 -5.735 1.00 0.00 N ATOM 1053 CA TYR A 76 5.603 -4.417 -4.831 1.00 0.00 C ATOM 1054 C TYR A 76 5.102 -4.683 -3.419 1.00 0.00 C ATOM 1055 O TYR A 76 5.892 -4.747 -2.480 1.00 0.00 O ATOM 1056 CB TYR A 76 5.166 -3.036 -5.309 1.00 0.00 C ATOM 1057 CG TYR A 76 5.941 -1.905 -4.676 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.194 -1.544 -5.185 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.406 -1.218 -3.579 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.913 -0.496 -4.597 1.00 0.00 C ATOM 1061 CE2 TYR A 76 6.125 -0.170 -2.991 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.378 0.191 -3.500 1.00 0.00 C ATOM 1063 OH TYR A 76 8.079 1.211 -2.927 1.00 0.00 O ATOM 0 H TYR A 76 4.407 -5.075 -6.411 1.00 0.00 H new ATOM 0 HA TYR A 76 6.692 -4.456 -4.821 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.280 -2.982 -6.392 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.106 -2.904 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.606 -2.074 -6.031 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.439 -1.496 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.880 -0.218 -4.989 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.713 0.360 -2.145 1.00 0.00 H new ATOM 0 HH TYR A 76 9.006 1.189 -3.243 1.00 0.00 H new ATOM 1073 N ALA A 77 3.784 -4.839 -3.271 1.00 0.00 N ATOM 1074 CA ALA A 77 3.185 -5.096 -1.977 1.00 0.00 C ATOM 1075 C ALA A 77 3.871 -6.284 -1.319 1.00 0.00 C ATOM 1076 O ALA A 77 4.278 -6.205 -0.162 1.00 0.00 O ATOM 1077 CB ALA A 77 1.693 -5.362 -2.153 1.00 0.00 C ATOM 0 H ALA A 77 3.116 -4.790 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 77 3.312 -4.226 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.241 -5.556 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.219 -4.491 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.552 -6.229 -2.798 1.00 0.00 H new ATOM 1083 N SER A 78 3.997 -7.388 -2.059 1.00 0.00 N ATOM 1084 CA SER A 78 4.632 -8.584 -1.543 1.00 0.00 C ATOM 1085 C SER A 78 6.065 -8.273 -1.134 1.00 0.00 C ATOM 1086 O SER A 78 6.528 -8.727 -0.090 1.00 0.00 O ATOM 1087 CB SER A 78 4.599 -9.676 -2.609 1.00 0.00 C ATOM 1088 OG SER A 78 5.037 -9.145 -3.839 1.00 0.00 O ATOM 0 H SER A 78 3.664 -7.470 -3.020 1.00 0.00 H new ATOM 0 HA SER A 78 4.093 -8.936 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.237 -10.508 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.588 -10.070 -2.710 1.00 0.00 H new ATOM 0 HG SER A 78 4.288 -9.123 -4.471 1.00 0.00 H new ATOM 1094 N SER A 79 6.767 -7.494 -1.960 1.00 0.00 N ATOM 1095 CA SER A 79 8.140 -7.126 -1.679 1.00 0.00 C ATOM 1096 C SER A 79 8.201 -6.290 -0.408 1.00 0.00 C ATOM 1097 O SER A 79 9.186 -6.342 0.325 1.00 0.00 O ATOM 1098 CB SER A 79 8.710 -6.351 -2.864 1.00 0.00 C ATOM 1099 OG SER A 79 9.858 -7.011 -3.348 1.00 0.00 O ATOM 0 H SER A 79 6.398 -7.109 -2.830 1.00 0.00 H new ATOM 0 HA SER A 79 8.738 -8.025 -1.527 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.963 -6.272 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.962 -5.335 -2.560 1.00 0.00 H new ATOM 0 HG SER A 79 10.224 -6.515 -4.110 1.00 0.00 H new ATOM 1105 N MET A 80 7.143 -5.519 -0.148 1.00 0.00 N ATOM 1106 CA MET A 80 7.084 -4.678 1.031 1.00 0.00 C ATOM 1107 C MET A 80 6.933 -5.541 2.276 1.00 0.00 C ATOM 1108 O MET A 80 7.540 -5.260 3.307 1.00 0.00 O ATOM 1109 CB MET A 80 5.915 -3.705 0.904 1.00 0.00 C ATOM 1110 CG MET A 80 6.375 -2.303 1.292 1.00 0.00 C ATOM 1111 SD MET A 80 5.575 -1.653 2.779 1.00 0.00 S ATOM 1112 CE MET A 80 3.845 -1.878 2.300 1.00 0.00 C ATOM 0 H MET A 80 6.318 -5.465 -0.745 1.00 0.00 H new ATOM 0 HA MET A 80 8.008 -4.107 1.119 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.537 -3.705 -0.118 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.094 -4.021 1.547 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.454 -2.316 1.448 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.181 -1.625 0.461 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.327 -0.920 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.797 -2.268 1.283 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.367 -2.581 2.982 1.00 0.00 H new ATOM 1122 N LEU A 81 6.120 -6.596 2.177 1.00 0.00 N ATOM 1123 CA LEU A 81 5.893 -7.494 3.292 1.00 0.00 C ATOM 1124 C LEU A 81 7.198 -8.173 3.682 1.00 0.00 C ATOM 1125 O LEU A 81 7.586 -8.153 4.848 1.00 0.00 O ATOM 1126 CB LEU A 81 4.840 -8.528 2.904 1.00 0.00 C ATOM 1127 CG LEU A 81 4.762 -9.603 3.984 1.00 0.00 C ATOM 1128 CD1 LEU A 81 5.818 -10.672 3.717 1.00 0.00 C ATOM 1129 CD2 LEU A 81 5.013 -8.970 5.350 1.00 0.00 C ATOM 0 H LEU A 81 5.610 -6.843 1.329 1.00 0.00 H new ATOM 0 HA LEU A 81 5.530 -6.929 4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.869 -8.047 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.094 -8.979 1.945 1.00 0.00 H new ATOM 0 HG LEU A 81 3.772 -10.060 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.762 -11.440 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.639 -11.124 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.808 -10.216 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.957 -9.737 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.002 -8.513 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.258 -8.207 5.542 1.00 0.00 H new ATOM 1141 N LYS A 82 7.876 -8.775 2.702 1.00 0.00 N ATOM 1142 CA LYS A 82 9.132 -9.455 2.949 1.00 0.00 C ATOM 1143 C LYS A 82 10.090 -8.525 3.680 1.00 0.00 C ATOM 1144 O LYS A 82 10.634 -8.884 4.721 1.00 0.00 O ATOM 1145 CB LYS A 82 9.730 -9.913 1.622 1.00 0.00 C ATOM 1146 CG LYS A 82 9.440 -11.397 1.419 1.00 0.00 C ATOM 1147 CD LYS A 82 7.945 -11.652 1.590 1.00 0.00 C ATOM 1148 CE LYS A 82 7.731 -12.743 2.635 1.00 0.00 C ATOM 1149 NZ LYS A 82 7.998 -14.075 2.070 1.00 0.00 N ATOM 0 H LYS A 82 7.568 -8.801 1.730 1.00 0.00 H new ATOM 0 HA LYS A 82 8.959 -10.329 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.308 -9.333 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.806 -9.737 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.761 -11.709 0.425 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.005 -11.990 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.442 -10.735 1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.506 -11.953 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.387 -12.568 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.707 -12.700 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.845 -14.799 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.355 -14.248 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.983 -14.120 1.738 1.00 0.00 H new ATOM 1163 N HIS A 83 10.296 -7.325 3.131 1.00 0.00 N ATOM 1164 CA HIS A 83 11.188 -6.355 3.734 1.00 0.00 C ATOM 1165 C HIS A 83 10.945 -6.288 5.235 1.00 0.00 C ATOM 1166 O HIS A 83 11.846 -5.944 5.997 1.00 0.00 O ATOM 1167 CB HIS A 83 10.964 -4.990 3.089 1.00 0.00 C ATOM 1168 CG HIS A 83 12.241 -4.360 2.605 1.00 0.00 C ATOM 1169 ND1 HIS A 83 13.010 -3.462 3.294 1.00 0.00 N flip ATOM 1170 CD2 HIS A 83 12.846 -4.584 1.389 1.00 0.00 C flip ATOM 1171 CE1 HIS A 83 14.104 -3.130 2.489 1.00 0.00 C flip ATOM 1172 NE2 HIS A 83 13.960 -3.831 1.352 1.00 0.00 N flip ATOM 0 H HIS A 83 9.852 -7.010 2.268 1.00 0.00 H new ATOM 0 HA HIS A 83 12.222 -6.657 3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.276 -5.098 2.250 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.487 -4.326 3.810 1.00 0.00 H new ATOM 0 HD1 HIS A 83 12.819 -3.100 4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.492 -5.242 0.609 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.904 -2.447 2.732 1.00 0.00 H new ATOM 1180 N GLY A 84 9.723 -6.617 5.660 1.00 0.00 N ATOM 1181 CA GLY A 84 9.373 -6.591 7.066 1.00 0.00 C ATOM 1182 C GLY A 84 8.607 -5.318 7.395 1.00 0.00 C ATOM 1183 O GLY A 84 8.522 -4.924 8.556 1.00 0.00 O ATOM 0 H GLY A 84 8.964 -6.904 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.767 -7.463 7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.276 -6.648 7.674 1.00 0.00 H new ATOM 1187 N PHE A 85 8.047 -4.674 6.368 1.00 0.00 N ATOM 1188 CA PHE A 85 7.292 -3.451 6.555 1.00 0.00 C ATOM 1189 C PHE A 85 5.839 -3.783 6.867 1.00 0.00 C ATOM 1190 O PHE A 85 5.017 -2.885 7.033 1.00 0.00 O ATOM 1191 CB PHE A 85 7.393 -2.595 5.296 1.00 0.00 C ATOM 1192 CG PHE A 85 8.765 -2.003 5.078 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.412 -1.332 6.122 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.392 -2.129 3.832 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.685 -0.785 5.921 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.665 -1.582 3.631 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.311 -0.910 4.675 1.00 0.00 C ATOM 0 H PHE A 85 8.107 -4.987 5.399 1.00 0.00 H new ATOM 0 HA PHE A 85 7.703 -2.890 7.394 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.127 -3.202 4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.663 -1.788 5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.929 -1.236 7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.894 -2.648 3.027 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.184 -0.267 6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.149 -1.679 2.670 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.293 -0.488 4.519 1.00 0.00 H new ATOM 1207 N LEU A 86 5.525 -5.078 6.946 1.00 0.00 N ATOM 1208 CA LEU A 86 4.176 -5.522 7.237 1.00 0.00 C ATOM 1209 C LEU A 86 4.215 -6.680 8.223 1.00 0.00 C ATOM 1210 O LEU A 86 5.160 -7.466 8.224 1.00 0.00 O ATOM 1211 CB LEU A 86 3.487 -5.939 5.940 1.00 0.00 C ATOM 1212 CG LEU A 86 2.321 -4.996 5.658 1.00 0.00 C ATOM 1213 CD1 LEU A 86 1.932 -5.093 4.186 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.129 -5.387 6.527 1.00 0.00 C ATOM 0 H LEU A 86 6.196 -5.834 6.811 1.00 0.00 H new ATOM 0 HA LEU A 86 3.610 -4.706 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.197 -5.913 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.128 -6.965 6.020 1.00 0.00 H new ATOM 0 HG LEU A 86 2.618 -3.973 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.099 -4.419 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.783 -4.813 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.635 -6.116 3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.296 -4.714 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.832 -6.410 6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.407 -5.317 7.579 1.00 0.00 H new ATOM 1226 N ARG A 87 3.183 -6.785 9.063 1.00 0.00 N ATOM 1227 CA ARG A 87 3.104 -7.844 10.049 1.00 0.00 C ATOM 1228 C ARG A 87 1.865 -8.691 9.798 1.00 0.00 C ATOM 1229 O ARG A 87 0.753 -8.169 9.749 1.00 0.00 O ATOM 1230 CB ARG A 87 3.067 -7.234 11.447 1.00 0.00 C ATOM 1231 CG ARG A 87 4.309 -7.663 12.223 1.00 0.00 C ATOM 1232 CD ARG A 87 5.521 -6.889 11.711 1.00 0.00 C ATOM 1233 NE ARG A 87 6.764 -7.451 12.238 1.00 0.00 N ATOM 1234 CZ ARG A 87 7.148 -7.298 13.512 1.00 0.00 C ATOM 1235 NH1 ARG A 87 6.380 -6.606 14.365 1.00 0.00 N ATOM 1236 NH2 ARG A 87 8.300 -7.837 13.935 1.00 0.00 N ATOM 0 H ARG A 87 2.391 -6.142 9.073 1.00 0.00 H new ATOM 0 HA ARG A 87 3.981 -8.486 9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.025 -6.147 11.380 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.168 -7.556 11.972 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.168 -7.477 13.288 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.472 -8.734 12.106 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.539 -6.915 10.621 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.438 -5.842 12.004 1.00 0.00 H new ATOM 0 HE ARG A 87 7.365 -7.983 11.608 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.503 -6.196 14.044 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.672 -6.490 15.335 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.885 -8.364 13.287 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.592 -7.720 14.905 1.00 0.00 H new ATOM 1250 N HIS A 88 2.057 -10.003 9.638 1.00 0.00 N ATOM 1251 CA HIS A 88 0.954 -10.910 9.391 1.00 0.00 C ATOM 1252 C HIS A 88 0.748 -11.818 10.596 1.00 0.00 C ATOM 1253 O HIS A 88 1.331 -11.591 11.654 1.00 0.00 O ATOM 1254 CB HIS A 88 1.243 -11.732 8.138 1.00 0.00 C ATOM 1255 CG HIS A 88 1.374 -10.882 6.904 1.00 0.00 C ATOM 1256 ND1 HIS A 88 1.242 -9.513 6.844 1.00 0.00 N ATOM 1257 CD2 HIS A 88 1.647 -11.331 5.641 1.00 0.00 C ATOM 1258 CE1 HIS A 88 1.433 -9.149 5.563 1.00 0.00 C ATOM 1259 NE2 HIS A 88 1.683 -10.221 4.791 1.00 0.00 N ATOM 0 H HIS A 88 2.971 -10.453 9.677 1.00 0.00 H new ATOM 0 HA HIS A 88 0.039 -10.339 9.233 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.163 -12.298 8.284 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.443 -12.457 7.991 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.037 -8.890 7.626 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.806 -12.359 5.352 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.391 -8.132 5.203 1.00 0.00 H new ATOM 1267 N THR A 89 -0.084 -12.849 10.433 1.00 0.00 N ATOM 1268 CA THR A 89 -0.359 -13.782 11.507 1.00 0.00 C ATOM 1269 C THR A 89 0.116 -15.175 11.118 1.00 0.00 C ATOM 1270 O THR A 89 -0.496 -16.171 11.498 1.00 0.00 O ATOM 1271 CB THR A 89 -1.855 -13.785 11.807 1.00 0.00 C ATOM 1272 OG1 THR A 89 -2.569 -14.091 10.631 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.275 -12.408 12.314 1.00 0.00 C ATOM 0 H THR A 89 -0.576 -13.052 9.563 1.00 0.00 H new ATOM 0 HA THR A 89 0.178 -13.476 12.405 1.00 0.00 H new ATOM 0 HB THR A 89 -2.072 -14.534 12.569 1.00 0.00 H new ATOM 0 HG1 THR A 89 -3.474 -13.721 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.344 -12.410 12.528 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.723 -12.171 13.223 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.059 -11.658 11.553 1.00 0.00 H new ATOM 1281 N VAL A 90 1.212 -15.242 10.359 1.00 0.00 N ATOM 1282 CA VAL A 90 1.763 -16.509 9.922 1.00 0.00 C ATOM 1283 C VAL A 90 3.051 -16.798 10.680 1.00 0.00 C ATOM 1284 O VAL A 90 3.452 -16.022 11.544 1.00 0.00 O ATOM 1285 CB VAL A 90 2.019 -16.460 8.419 1.00 0.00 C ATOM 1286 CG1 VAL A 90 0.733 -16.073 7.695 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.102 -15.427 8.120 1.00 0.00 C ATOM 0 H VAL A 90 1.731 -14.425 10.038 1.00 0.00 H new ATOM 0 HA VAL A 90 1.054 -17.311 10.130 1.00 0.00 H new ATOM 0 HB VAL A 90 2.348 -17.441 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.916 -16.038 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.040 -16.811 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.403 -15.093 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.285 -15.392 7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.774 -14.446 8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.021 -15.704 8.636 1.00 0.00 H new ATOM 1297 N ASN A 91 3.700 -17.918 10.353 1.00 0.00 N ATOM 1298 CA ASN A 91 4.937 -18.300 11.004 1.00 0.00 C ATOM 1299 C ASN A 91 5.852 -17.091 11.130 1.00 0.00 C ATOM 1300 O ASN A 91 6.402 -16.834 12.199 1.00 0.00 O ATOM 1301 CB ASN A 91 5.612 -19.407 10.198 1.00 0.00 C ATOM 1302 CG ASN A 91 5.502 -20.745 10.915 1.00 0.00 C ATOM 1303 OD1 ASN A 91 4.423 -21.121 11.368 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.622 -21.465 11.014 1.00 0.00 N ATOM 0 H ASN A 91 3.381 -18.572 9.638 1.00 0.00 H new ATOM 0 HA ASN A 91 4.724 -18.673 12.006 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.150 -19.479 9.213 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.662 -19.159 10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.606 -22.371 11.482 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.493 -21.109 10.621 1.00 0.00 H new ATOM 1311 N LYS A 92 6.014 -16.345 10.035 1.00 0.00 N ATOM 1312 CA LYS A 92 6.859 -15.169 10.030 1.00 0.00 C ATOM 1313 C LYS A 92 6.117 -14.000 9.397 1.00 0.00 C ATOM 1314 O LYS A 92 5.743 -13.053 10.085 1.00 0.00 O ATOM 1315 CB LYS A 92 8.145 -15.470 9.265 1.00 0.00 C ATOM 1316 CG LYS A 92 9.265 -14.570 9.779 1.00 0.00 C ATOM 1317 CD LYS A 92 10.271 -15.406 10.564 1.00 0.00 C ATOM 1318 CE LYS A 92 11.687 -15.041 10.128 1.00 0.00 C ATOM 1319 NZ LYS A 92 12.674 -15.956 10.720 1.00 0.00 N ATOM 0 H LYS A 92 5.565 -16.543 9.141 1.00 0.00 H new ATOM 0 HA LYS A 92 7.115 -14.898 11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.419 -16.517 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.993 -15.306 8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.761 -14.075 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.853 -13.786 10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.151 -15.229 11.633 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.089 -16.467 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.757 -15.079 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.911 -14.017 10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.629 -15.686 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.620 -15.901 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.472 -16.929 10.414 1.00 0.00 H new ATOM 1333 N ILE A 93 5.905 -14.070 8.080 1.00 0.00 N ATOM 1334 CA ILE A 93 5.209 -13.022 7.360 1.00 0.00 C ATOM 1335 C ILE A 93 4.577 -13.596 6.100 1.00 0.00 C ATOM 1336 O ILE A 93 3.354 -13.647 5.984 1.00 0.00 O ATOM 1337 CB ILE A 93 6.190 -11.906 7.013 1.00 0.00 C ATOM 1338 CG1 ILE A 93 7.604 -12.475 6.939 1.00 0.00 C ATOM 1339 CG2 ILE A 93 6.132 -10.826 8.090 1.00 0.00 C ATOM 1340 CD1 ILE A 93 8.465 -11.582 6.050 1.00 0.00 C ATOM 0 H ILE A 93 6.210 -14.849 7.496 1.00 0.00 H new ATOM 0 HA ILE A 93 4.417 -12.609 7.985 1.00 0.00 H new ATOM 0 HB ILE A 93 5.922 -11.474 6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.036 -12.537 7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 93 7.579 -13.489 6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.832 -10.028 7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.122 -10.419 8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.400 -11.259 9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.475 -11.988 5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.036 -11.543 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.499 -10.576 6.469 1.00 0.00 H new ATOM 1352 N THR A 94 5.412 -14.030 5.153 1.00 0.00 N ATOM 1353 CA THR A 94 4.927 -14.598 3.912 1.00 0.00 C ATOM 1354 C THR A 94 3.686 -13.849 3.449 1.00 0.00 C ATOM 1355 O THR A 94 2.570 -14.199 3.827 1.00 0.00 O ATOM 1356 CB THR A 94 4.621 -16.079 4.116 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.399 -16.215 4.806 1.00 0.00 O ATOM 1358 CG2 THR A 94 5.739 -16.723 4.930 1.00 0.00 C ATOM 0 H THR A 94 6.428 -13.995 5.231 1.00 0.00 H new ATOM 0 HA THR A 94 5.692 -14.501 3.142 1.00 0.00 H new ATOM 0 HB THR A 94 4.548 -16.572 3.146 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.985 -15.333 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.520 -17.781 5.076 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.684 -16.618 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.813 -16.231 5.900 1.00 0.00 H new ATOM 1366 N PHE A 95 3.882 -12.815 2.627 1.00 0.00 N ATOM 1367 CA PHE A 95 2.779 -12.025 2.119 1.00 0.00 C ATOM 1368 C PHE A 95 1.616 -12.936 1.753 1.00 0.00 C ATOM 1369 O PHE A 95 1.807 -14.129 1.525 1.00 0.00 O ATOM 1370 CB PHE A 95 3.245 -11.228 0.903 1.00 0.00 C ATOM 1371 CG PHE A 95 2.262 -10.169 0.465 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.160 -8.969 1.179 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.454 -10.386 -0.658 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.250 -7.987 0.770 1.00 0.00 C ATOM 1375 CE2 PHE A 95 0.544 -9.404 -1.067 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.442 -8.204 -0.352 1.00 0.00 C ATOM 0 H PHE A 95 4.801 -12.512 2.303 1.00 0.00 H new ATOM 0 HA PHE A 95 2.441 -11.329 2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.199 -10.754 1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.421 -11.914 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.783 -8.801 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.533 -11.312 -1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.171 -7.061 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.079 -9.572 -1.933 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.260 -7.446 -0.666 1.00 0.00 H new ATOM 1386 N SER A 96 0.408 -12.372 1.699 1.00 0.00 N ATOM 1387 CA SER A 96 -0.777 -13.135 1.361 1.00 0.00 C ATOM 1388 C SER A 96 -1.750 -12.260 0.583 1.00 0.00 C ATOM 1389 O SER A 96 -1.934 -12.449 -0.618 1.00 0.00 O ATOM 1390 CB SER A 96 -1.425 -13.660 2.639 1.00 0.00 C ATOM 1391 OG SER A 96 -0.625 -14.685 3.184 1.00 0.00 O ATOM 0 H SER A 96 0.233 -11.385 1.887 1.00 0.00 H new ATOM 0 HA SER A 96 -0.501 -13.983 0.734 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.540 -12.851 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.424 -14.039 2.424 1.00 0.00 H new ATOM 0 HG SER A 96 -1.040 -15.022 4.006 1.00 0.00 H new ATOM 1397 N GLU A 97 -2.374 -11.301 1.270 1.00 0.00 N ATOM 1398 CA GLU A 97 -3.322 -10.404 0.639 1.00 0.00 C ATOM 1399 C GLU A 97 -4.688 -11.069 0.554 1.00 0.00 C ATOM 1400 O GLU A 97 -5.276 -11.150 -0.523 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.815 -10.029 -0.751 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.411 -8.686 -1.164 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.990 -8.758 -2.570 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -3.546 -7.943 -3.408 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -4.864 -9.626 -2.781 1.00 0.00 O ATOM 0 H GLU A 97 -2.234 -11.132 2.266 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.421 -9.496 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.727 -9.971 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.092 -10.799 -1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.191 -8.398 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.642 -7.914 -1.122 1.00 0.00 H new ATOM 1413 N GLN A 98 -5.194 -11.544 1.694 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.486 -12.198 1.743 1.00 0.00 C ATOM 1415 C GLN A 98 -7.104 -12.020 3.122 1.00 0.00 C ATOM 1416 O GLN A 98 -8.209 -11.496 3.247 1.00 0.00 O ATOM 1417 CB GLN A 98 -6.318 -13.679 1.413 1.00 0.00 C ATOM 1418 CG GLN A 98 -7.178 -14.032 0.203 1.00 0.00 C ATOM 1419 CD GLN A 98 -6.971 -15.484 -0.205 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -6.412 -16.271 0.556 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -7.423 -15.837 -1.410 1.00 0.00 N ATOM 0 H GLN A 98 -4.720 -11.483 2.595 1.00 0.00 H new ATOM 0 HA GLN A 98 -7.153 -11.748 1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.271 -13.900 1.205 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.608 -14.288 2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -8.229 -13.862 0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.927 -13.376 -0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.881 -15.147 -2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.311 -16.797 -1.736 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.386 -12.457 4.159 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.860 -12.346 5.524 1.00 0.00 C ATOM 1432 C CYS A 99 -6.837 -10.886 5.954 1.00 0.00 C ATOM 1433 O CYS A 99 -7.153 -10.000 5.162 1.00 0.00 O ATOM 1434 CB CYS A 99 -5.980 -13.194 6.439 1.00 0.00 C ATOM 1435 SG CYS A 99 -6.969 -13.740 7.853 1.00 0.00 S ATOM 0 H CYS A 99 -5.468 -12.893 4.069 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.885 -12.711 5.591 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.590 -14.055 5.896 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -5.121 -12.616 6.779 1.00 0.00 H new ATOM 0 HG CYS A 99 -7.520 -12.709 8.421 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.463 -10.635 7.210 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.404 -9.285 7.734 1.00 0.00 C ATOM 1443 C TYR A 100 -5.130 -9.101 8.546 1.00 0.00 C ATOM 1444 O TYR A 100 -4.963 -9.724 9.592 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.637 -9.021 8.595 1.00 0.00 C ATOM 1446 CG TYR A 100 -7.930 -10.125 9.582 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.676 -11.241 9.183 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.457 -10.033 10.896 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -8.948 -12.265 10.099 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -7.729 -11.057 11.812 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.475 -12.172 11.413 1.00 0.00 C ATOM 1452 OH TYR A 100 -8.741 -13.169 12.306 1.00 0.00 O ATOM 0 H TYR A 100 -6.197 -11.358 7.879 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.392 -8.571 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.498 -8.086 9.138 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.502 -8.886 7.945 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.041 -11.312 8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.882 -9.172 11.204 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.523 -13.126 9.791 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.363 -10.986 12.826 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.339 -12.948 13.172 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.230 -8.243 8.062 1.00 0.00 N ATOM 1463 CA TYR A 101 -2.978 -7.985 8.744 1.00 0.00 C ATOM 1464 C TYR A 101 -2.844 -6.496 9.030 1.00 0.00 C ATOM 1465 O TYR A 101 -3.757 -5.723 8.750 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.819 -8.475 7.880 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.811 -9.972 7.676 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.434 -10.809 8.610 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -1.181 -10.522 6.554 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.426 -12.196 8.422 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -1.173 -11.909 6.365 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.795 -12.746 7.299 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.787 -14.098 7.116 1.00 0.00 O ATOM 0 H TYR A 101 -4.353 -7.717 7.197 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.959 -8.521 9.693 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.868 -7.984 6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.879 -8.174 8.342 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -2.921 -10.384 9.476 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.701 -9.876 5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.906 -12.842 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.687 -12.333 5.499 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.309 -14.313 6.288 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.701 -6.095 9.592 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.453 -4.704 9.913 1.00 0.00 C ATOM 1485 C VAL A 102 0.036 -4.408 9.802 1.00 0.00 C ATOM 1486 O VAL A 102 0.865 -5.279 10.056 1.00 0.00 O ATOM 1487 CB VAL A 102 -1.959 -4.411 11.322 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -0.790 -3.984 12.205 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -2.991 -3.288 11.268 1.00 0.00 C ATOM 0 H VAL A 102 -0.935 -6.724 9.832 1.00 0.00 H new ATOM 0 HA VAL A 102 -1.984 -4.063 9.210 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.418 -5.308 11.736 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.152 -3.775 13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.052 -4.785 12.244 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.330 -3.087 11.791 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.353 -3.078 12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.531 -2.391 10.853 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.827 -3.592 10.638 1.00 0.00 H new ATOM 1499 N PHE A 103 0.375 -3.174 9.422 1.00 0.00 N ATOM 1500 CA PHE A 103 1.759 -2.772 9.281 1.00 0.00 C ATOM 1501 C PHE A 103 2.581 -3.338 10.430 1.00 0.00 C ATOM 1502 O PHE A 103 2.026 -3.793 11.428 1.00 0.00 O ATOM 1503 CB PHE A 103 1.845 -1.248 9.253 1.00 0.00 C ATOM 1504 CG PHE A 103 1.265 -0.589 10.482 1.00 0.00 C ATOM 1505 CD1 PHE A 103 2.053 -0.428 11.627 1.00 0.00 C ATOM 1506 CD2 PHE A 103 -0.060 -0.138 10.474 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.515 0.185 12.766 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -0.597 0.475 11.612 1.00 0.00 C ATOM 1509 CZ PHE A 103 0.190 0.637 12.758 1.00 0.00 C ATOM 0 H PHE A 103 -0.300 -2.440 9.208 1.00 0.00 H new ATOM 0 HA PHE A 103 2.162 -3.163 8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.889 -0.953 9.151 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.322 -0.879 8.371 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.075 -0.776 11.633 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.668 -0.263 9.590 1.00 0.00 H new ATOM 0 HE1 PHE A 103 2.122 0.309 13.650 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.619 0.823 11.606 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.225 1.110 13.636 1.00 0.00 H new ATOM 1519 N GLY A 104 3.909 -3.310 10.290 1.00 0.00 N ATOM 1520 CA GLY A 104 4.794 -3.821 11.317 1.00 0.00 C ATOM 1521 C GLY A 104 5.988 -2.893 11.494 1.00 0.00 C ATOM 1522 O GLY A 104 6.061 -1.843 10.859 1.00 0.00 O ATOM 0 H GLY A 104 4.387 -2.936 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 104 4.254 -3.914 12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.138 -4.820 11.047 1.00 0.00 H new ATOM 1526 N ASP A 105 6.925 -3.283 12.360 1.00 0.00 N ATOM 1527 CA ASP A 105 8.108 -2.487 12.617 1.00 0.00 C ATOM 1528 C ASP A 105 9.117 -3.304 13.410 1.00 0.00 C ATOM 1529 O ASP A 105 8.926 -3.544 14.600 1.00 0.00 O ATOM 1530 CB ASP A 105 7.715 -1.225 13.380 1.00 0.00 C ATOM 1531 CG ASP A 105 7.500 -0.058 12.427 1.00 0.00 C ATOM 1532 OD1 ASP A 105 7.947 -0.183 11.266 1.00 0.00 O ATOM 1533 OD2 ASP A 105 6.893 0.938 12.877 1.00 0.00 O ATOM 0 H ASP A 105 6.879 -4.151 12.894 1.00 0.00 H new ATOM 0 HA ASP A 105 8.568 -2.196 11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.803 -1.408 13.948 1.00 0.00 H new ATOM 0 HB3 ASP A 105 8.494 -0.973 14.100 1.00 0.00 H new