USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 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: B 37 TYR OH : rot -140:sc= 1.69 USER MOD Set 1.2: B 46 LYS NZ :NH3+ -156:sc= 0.658 (180deg=0.447) USER MOD Set 2.1: A 37 TYR OH : rot -119:sc= 1.68 USER MOD Set 2.2: A 46 LYS NZ :NH3+ -132:sc= 0.435 (180deg=0) USER MOD Single : A 3 SER OG : rot 31:sc= -0.0112 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= 0.111 (180deg=-0.354!) USER MOD Single : A 25 THR OG1 : rot 73:sc= 1.29 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= 1.28 (180deg=1.07) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= 0.85 (180deg=0.717) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 74:sc= 0.999 USER MOD Single : B 4 THR OG1 : rot 180:sc= -1.22 USER MOD Single : B 9 LYS NZ :NH3+ -151:sc= 0.836 (180deg=0.673) USER MOD Single : B 25 THR OG1 : rot 74:sc= 1.26 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.12) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -1.316 -12.510 -3.290 1.00 0.48 N ATOM 43 CA SER A 3 -1.669 -11.190 -3.782 1.00 0.40 C ATOM 44 C SER A 3 -2.547 -11.267 -5.022 1.00 0.40 C ATOM 45 O SER A 3 -3.152 -12.298 -5.318 1.00 0.46 O ATOM 46 CB SER A 3 -0.372 -10.451 -4.107 1.00 0.41 C ATOM 47 OG SER A 3 0.395 -10.270 -2.933 1.00 0.44 O ATOM 0 HA SER A 3 -2.240 -10.662 -3.018 1.00 0.40 H new ATOM 0 HB2 SER A 3 0.202 -11.015 -4.842 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.599 -9.483 -4.555 1.00 0.41 H new ATOM 0 HG SER A 3 0.229 -11.013 -2.316 1.00 0.44 H new ATOM 53 N THR A 4 -2.610 -10.156 -5.731 1.00 0.37 N ATOM 54 CA THR A 4 -3.365 -10.053 -6.962 1.00 0.37 C ATOM 55 C THR A 4 -4.867 -10.199 -6.711 1.00 0.37 C ATOM 56 O THR A 4 -5.492 -11.184 -7.101 1.00 0.48 O ATOM 57 CB THR A 4 -2.895 -11.082 -8.006 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.461 -11.153 -7.994 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.368 -10.688 -9.394 1.00 0.45 C ATOM 0 H THR A 4 -2.134 -9.294 -5.465 1.00 0.37 H new ATOM 0 HA THR A 4 -3.180 -9.057 -7.363 1.00 0.37 H new ATOM 0 HB THR A 4 -3.318 -12.055 -7.754 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.160 -11.809 -8.657 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.026 -11.427 -10.118 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.457 -10.643 -9.408 1.00 0.45 H new ATOM 0 HG23 THR A 4 -2.961 -9.711 -9.653 1.00 0.45 H new ATOM 67 N GLY A 5 -5.408 -9.233 -5.989 1.00 0.31 N ATOM 68 CA GLY A 5 -6.831 -9.166 -5.778 1.00 0.30 C ATOM 69 C GLY A 5 -7.226 -9.703 -4.424 1.00 0.28 C ATOM 70 O GLY A 5 -8.253 -10.365 -4.288 1.00 0.32 O ATOM 0 H GLY A 5 -4.877 -8.486 -5.541 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -7.163 -8.132 -5.869 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.340 -9.734 -6.556 1.00 0.30 H new ATOM 74 N ILE A 6 -6.401 -9.439 -3.426 1.00 0.27 N ATOM 75 CA ILE A 6 -6.695 -9.871 -2.077 1.00 0.28 C ATOM 76 C ILE A 6 -7.095 -8.677 -1.225 1.00 0.27 C ATOM 77 O ILE A 6 -6.511 -7.602 -1.332 1.00 0.40 O ATOM 78 CB ILE A 6 -5.503 -10.603 -1.424 1.00 0.34 C ATOM 79 CG1 ILE A 6 -5.950 -11.221 -0.102 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.322 -9.662 -1.203 1.00 0.35 C ATOM 81 CD1 ILE A 6 -6.918 -12.368 -0.272 1.00 0.49 C ATOM 0 H ILE A 6 -5.524 -8.928 -3.527 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.522 -10.579 -2.136 1.00 0.28 H new ATOM 0 HB ILE A 6 -5.169 -11.391 -2.099 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -5.073 -11.573 0.441 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.416 -10.450 0.512 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.501 -10.211 -0.742 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -3.995 -9.257 -2.161 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.625 -8.845 -0.548 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -7.194 -12.760 0.707 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -7.812 -12.016 -0.787 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -6.448 -13.157 -0.859 1.00 0.49 H new ATOM 93 N VAL A 7 -8.096 -8.859 -0.394 1.00 0.24 N ATOM 94 CA VAL A 7 -8.604 -7.775 0.421 1.00 0.24 C ATOM 95 C VAL A 7 -7.859 -7.697 1.757 1.00 0.27 C ATOM 96 O VAL A 7 -7.706 -8.702 2.457 1.00 0.34 O ATOM 97 CB VAL A 7 -10.122 -7.935 0.662 1.00 0.30 C ATOM 98 CG1 VAL A 7 -10.445 -9.272 1.321 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.638 -6.787 1.497 1.00 0.34 C ATOM 0 H VAL A 7 -8.577 -9.749 -0.263 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.435 -6.844 -0.120 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.623 -7.920 -0.306 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -11.521 -9.351 1.476 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.110 -10.085 0.677 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -9.935 -9.337 2.282 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -11.709 -6.909 1.661 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.123 -6.775 2.457 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.456 -5.847 0.976 1.00 0.34 H new ATOM 109 N ARG A 8 -7.352 -6.514 2.085 1.00 0.26 N ATOM 110 CA ARG A 8 -6.713 -6.280 3.370 1.00 0.32 C ATOM 111 C ARG A 8 -7.387 -5.125 4.098 1.00 0.27 C ATOM 112 O ARG A 8 -8.132 -4.355 3.491 1.00 0.22 O ATOM 113 CB ARG A 8 -5.231 -5.982 3.175 1.00 0.40 C ATOM 114 CG ARG A 8 -4.352 -7.131 3.607 1.00 0.53 C ATOM 115 CD ARG A 8 -4.502 -8.311 2.674 1.00 0.54 C ATOM 116 NE ARG A 8 -3.841 -9.493 3.207 1.00 0.76 N ATOM 117 CZ ARG A 8 -4.487 -10.592 3.589 1.00 1.02 C ATOM 118 NH1 ARG A 8 -5.807 -10.668 3.455 1.00 1.96 N ATOM 119 NH2 ARG A 8 -3.812 -11.610 4.110 1.00 1.11 N ATOM 0 H ARG A 8 -7.373 -5.699 1.473 1.00 0.26 H new ATOM 0 HA ARG A 8 -6.815 -7.180 3.976 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -5.043 -5.759 2.125 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -4.964 -5.091 3.743 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -3.311 -6.809 3.627 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -4.612 -7.431 4.622 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -5.560 -8.522 2.518 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -4.080 -8.063 1.700 1.00 0.54 H new ATOM 0 HE ARG A 8 -2.825 -9.478 3.293 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -6.325 -9.884 3.059 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -6.302 -11.511 3.748 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -2.799 -11.549 4.217 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -4.306 -12.453 4.403 1.00 1.11 H new ATOM 133 N LYS A 9 -7.119 -5.005 5.389 1.00 0.31 N ATOM 134 CA LYS A 9 -7.727 -3.960 6.207 1.00 0.27 C ATOM 135 C LYS A 9 -6.761 -2.792 6.378 1.00 0.23 C ATOM 136 O LYS A 9 -5.549 -2.952 6.205 1.00 0.26 O ATOM 137 CB LYS A 9 -8.109 -4.521 7.578 1.00 0.30 C ATOM 138 CG LYS A 9 -9.004 -5.752 7.515 1.00 1.16 C ATOM 139 CD LYS A 9 -10.276 -5.499 6.720 1.00 0.84 C ATOM 140 CE LYS A 9 -11.044 -4.309 7.262 1.00 0.59 C ATOM 141 NZ LYS A 9 -12.363 -4.145 6.597 1.00 0.73 N ATOM 0 H LYS A 9 -6.483 -5.619 5.897 1.00 0.31 H new ATOM 0 HA LYS A 9 -8.626 -3.604 5.704 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -7.199 -4.773 8.123 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -8.617 -3.744 8.149 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -8.453 -6.577 7.063 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -9.266 -6.061 8.527 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -10.024 -5.324 5.674 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -10.908 -6.386 6.752 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -11.192 -4.432 8.335 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.454 -3.403 7.123 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.995 -3.593 7.211 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -12.236 -3.646 5.693 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -12.782 -5.081 6.421 1.00 0.73 H new ATOM 155 N VAL A 10 -7.296 -1.616 6.704 1.00 0.20 N ATOM 156 CA VAL A 10 -6.460 -0.462 6.997 1.00 0.21 C ATOM 157 C VAL A 10 -5.992 -0.542 8.457 1.00 0.24 C ATOM 158 O VAL A 10 -5.608 -1.610 8.935 1.00 0.44 O ATOM 159 CB VAL A 10 -7.206 0.884 6.764 1.00 0.20 C ATOM 160 CG1 VAL A 10 -6.228 1.985 6.387 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.302 0.758 5.714 1.00 0.20 C ATOM 0 H VAL A 10 -8.299 -1.442 6.771 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.609 -0.484 6.316 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.687 1.151 7.705 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.772 2.916 6.229 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.504 2.119 7.191 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.706 1.710 5.471 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.795 1.722 5.585 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -7.864 0.445 4.766 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -9.033 0.017 6.038 1.00 0.20 H new ATOM 171 N ASP A 11 -6.037 0.579 9.160 1.00 0.24 N ATOM 172 CA ASP A 11 -5.688 0.625 10.575 1.00 0.23 C ATOM 173 C ASP A 11 -6.382 1.807 11.214 1.00 0.24 C ATOM 174 O ASP A 11 -7.260 1.653 12.057 1.00 0.24 O ATOM 175 CB ASP A 11 -4.177 0.737 10.779 1.00 0.40 C ATOM 176 CG ASP A 11 -3.804 0.880 12.243 1.00 0.61 C ATOM 177 OD1 ASP A 11 -4.269 0.057 13.066 1.00 1.32 O ATOM 178 OD2 ASP A 11 -3.066 1.826 12.576 1.00 1.15 O ATOM 0 H ASP A 11 -6.315 1.480 8.770 1.00 0.24 H new ATOM 0 HA ASP A 11 -6.015 -0.304 11.043 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.690 -0.147 10.367 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.800 1.596 10.224 1.00 0.40 H new ATOM 183 N GLU A 12 -5.972 2.986 10.784 1.00 0.30 N ATOM 184 CA GLU A 12 -6.675 4.217 11.086 1.00 0.33 C ATOM 185 C GLU A 12 -6.346 5.248 10.027 1.00 0.31 C ATOM 186 O GLU A 12 -7.075 5.405 9.047 1.00 0.35 O ATOM 187 CB GLU A 12 -6.337 4.770 12.477 1.00 0.39 C ATOM 188 CG GLU A 12 -4.940 4.454 12.982 1.00 0.43 C ATOM 189 CD GLU A 12 -4.598 5.257 14.217 1.00 0.56 C ATOM 190 OE1 GLU A 12 -5.222 5.027 15.277 1.00 1.08 O ATOM 191 OE2 GLU A 12 -3.736 6.152 14.123 1.00 1.39 O ATOM 0 H GLU A 12 -5.137 3.116 10.212 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.742 3.995 11.088 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -6.462 5.853 12.459 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -7.061 4.377 13.191 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -4.866 3.390 13.207 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -4.213 4.665 12.198 1.00 0.43 H new ATOM 198 N LEU A 13 -5.213 5.903 10.207 1.00 0.31 N ATOM 199 CA LEU A 13 -4.763 6.941 9.296 1.00 0.32 C ATOM 200 C LEU A 13 -4.572 6.402 7.878 1.00 0.35 C ATOM 201 O LEU A 13 -4.914 7.078 6.909 1.00 0.60 O ATOM 202 CB LEU A 13 -3.467 7.591 9.807 1.00 0.37 C ATOM 203 CG LEU A 13 -2.188 6.743 9.735 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.968 7.610 10.000 1.00 0.54 C ATOM 205 CD2 LEU A 13 -2.228 5.593 10.733 1.00 0.43 C ATOM 0 H LEU A 13 -4.579 5.731 10.988 1.00 0.31 H new ATOM 0 HA LEU A 13 -5.541 7.703 9.258 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -3.300 8.506 9.239 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -3.621 7.884 10.845 1.00 0.37 H new ATOM 0 HG LEU A 13 -2.124 6.322 8.732 1.00 0.43 H new ATOM 0 HD11 LEU A 13 -0.068 6.998 9.946 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -0.914 8.401 9.252 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -1.046 8.054 10.992 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -1.309 5.013 10.656 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -2.323 5.991 11.743 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -3.081 4.951 10.514 1.00 0.43 H new ATOM 217 N GLY A 14 -4.065 5.176 7.749 1.00 0.20 N ATOM 218 CA GLY A 14 -3.833 4.633 6.424 1.00 0.24 C ATOM 219 C GLY A 14 -2.969 3.388 6.396 1.00 0.22 C ATOM 220 O GLY A 14 -2.938 2.706 5.385 1.00 0.34 O ATOM 0 H GLY A 14 -3.816 4.561 8.524 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.795 4.402 5.966 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -3.363 5.400 5.808 1.00 0.24 H new ATOM 224 N ARG A 15 -2.262 3.086 7.485 1.00 0.15 N ATOM 225 CA ARG A 15 -1.367 1.925 7.504 1.00 0.17 C ATOM 226 C ARG A 15 -2.095 0.647 7.100 1.00 0.16 C ATOM 227 O ARG A 15 -2.869 0.087 7.876 1.00 0.18 O ATOM 228 CB ARG A 15 -0.720 1.737 8.876 1.00 0.20 C ATOM 229 CG ARG A 15 0.789 1.655 8.800 1.00 0.23 C ATOM 230 CD ARG A 15 1.424 1.599 10.174 1.00 0.29 C ATOM 231 NE ARG A 15 2.882 1.692 10.105 1.00 0.59 N ATOM 232 CZ ARG A 15 3.652 2.151 11.093 1.00 0.78 C ATOM 233 NH1 ARG A 15 3.118 2.508 12.251 1.00 0.82 N ATOM 234 NH2 ARG A 15 4.965 2.228 10.922 1.00 1.26 N ATOM 0 H ARG A 15 -2.289 3.619 8.354 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.583 2.124 6.773 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -1.003 2.566 9.524 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -1.107 0.827 9.335 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.076 0.770 8.232 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.172 2.520 8.258 1.00 0.23 H new ATOM 0 HD2 ARG A 15 1.037 2.413 10.786 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.142 0.668 10.666 1.00 0.29 H new ATOM 0 HE ARG A 15 3.340 1.386 9.246 1.00 0.59 H new ATOM 0 HH11 ARG A 15 2.111 2.433 12.393 1.00 0.82 H new ATOM 0 HH12 ARG A 15 3.714 2.858 13.001 1.00 0.82 H new ATOM 0 HH21 ARG A 15 5.382 1.937 10.038 1.00 1.26 H new ATOM 0 HH22 ARG A 15 5.558 2.578 11.675 1.00 1.26 H new ATOM 248 N VAL A 16 -1.845 0.204 5.878 1.00 0.16 N ATOM 249 CA VAL A 16 -2.457 -1.004 5.350 1.00 0.16 C ATOM 250 C VAL A 16 -1.457 -2.159 5.415 1.00 0.16 C ATOM 251 O VAL A 16 -0.258 -1.967 5.196 1.00 0.15 O ATOM 252 CB VAL A 16 -2.947 -0.794 3.899 1.00 0.17 C ATOM 253 CG1 VAL A 16 -1.784 -0.489 2.970 1.00 1.04 C ATOM 254 CG2 VAL A 16 -3.725 -2.005 3.414 1.00 0.97 C ATOM 0 H VAL A 16 -1.214 0.670 5.226 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.326 -1.247 5.961 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.617 0.066 3.890 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -2.156 -0.346 1.956 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -1.280 0.418 3.303 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -1.080 -1.321 2.984 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -4.061 -1.836 2.391 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -3.084 -2.886 3.445 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -4.590 -2.164 4.058 1.00 0.97 H new ATOM 264 N VAL A 17 -1.950 -3.342 5.739 1.00 0.17 N ATOM 265 CA VAL A 17 -1.085 -4.497 5.936 1.00 0.18 C ATOM 266 C VAL A 17 -0.653 -5.105 4.600 1.00 0.19 C ATOM 267 O VAL A 17 -1.459 -5.708 3.890 1.00 0.25 O ATOM 268 CB VAL A 17 -1.772 -5.585 6.785 1.00 0.21 C ATOM 269 CG1 VAL A 17 -0.821 -6.740 7.055 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.297 -5.005 8.089 1.00 0.22 C ATOM 0 H VAL A 17 -2.944 -3.530 5.872 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.205 -4.137 6.468 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.621 -5.968 6.219 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.327 -7.496 7.656 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.505 -7.180 6.109 1.00 0.23 H new ATOM 0 HG13 VAL A 17 0.053 -6.374 7.594 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -2.777 -5.792 8.670 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.469 -4.586 8.660 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.022 -4.220 7.872 1.00 0.22 H new ATOM 280 N ILE A 18 0.615 -4.928 4.261 1.00 0.17 N ATOM 281 CA ILE A 18 1.190 -5.520 3.059 1.00 0.21 C ATOM 282 C ILE A 18 1.411 -7.022 3.243 1.00 0.17 C ATOM 283 O ILE A 18 1.917 -7.455 4.279 1.00 0.18 O ATOM 284 CB ILE A 18 2.537 -4.859 2.705 1.00 0.30 C ATOM 285 CG1 ILE A 18 2.344 -3.371 2.409 1.00 0.36 C ATOM 286 CG2 ILE A 18 3.187 -5.555 1.523 1.00 0.39 C ATOM 287 CD1 ILE A 18 1.526 -3.088 1.164 1.00 0.62 C ATOM 0 H ILE A 18 1.273 -4.373 4.808 1.00 0.17 H new ATOM 0 HA ILE A 18 0.482 -5.353 2.247 1.00 0.21 H new ATOM 0 HB ILE A 18 3.199 -4.958 3.565 1.00 0.30 H new ATOM 0 HG12 ILE A 18 1.858 -2.902 3.264 1.00 0.36 H new ATOM 0 HG13 ILE A 18 3.323 -2.903 2.302 1.00 0.36 H new ATOM 0 HG21 ILE A 18 4.136 -5.071 1.292 1.00 0.39 H new ATOM 0 HG22 ILE A 18 3.364 -6.602 1.770 1.00 0.39 H new ATOM 0 HG23 ILE A 18 2.528 -5.493 0.657 1.00 0.39 H new ATOM 0 HD11 ILE A 18 1.436 -2.011 1.025 1.00 0.62 H new ATOM 0 HD12 ILE A 18 2.020 -3.526 0.297 1.00 0.62 H new ATOM 0 HD13 ILE A 18 0.533 -3.524 1.274 1.00 0.62 H new ATOM 299 N PRO A 19 0.995 -7.836 2.253 1.00 0.22 N ATOM 300 CA PRO A 19 1.264 -9.275 2.226 1.00 0.24 C ATOM 301 C PRO A 19 2.711 -9.622 2.536 1.00 0.23 C ATOM 302 O PRO A 19 3.638 -8.948 2.077 1.00 0.20 O ATOM 303 CB PRO A 19 0.955 -9.658 0.791 1.00 0.28 C ATOM 304 CG PRO A 19 -0.126 -8.719 0.396 1.00 0.31 C ATOM 305 CD PRO A 19 0.181 -7.419 1.095 1.00 0.29 C ATOM 0 HA PRO A 19 0.676 -9.798 2.980 1.00 0.24 H new ATOM 0 HB2 PRO A 19 1.831 -9.551 0.151 1.00 0.28 H new ATOM 0 HB3 PRO A 19 0.630 -10.696 0.715 1.00 0.28 H new ATOM 0 HG2 PRO A 19 -0.151 -8.585 -0.685 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -1.103 -9.101 0.693 1.00 0.31 H new ATOM 0 HD2 PRO A 19 0.727 -6.733 0.447 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.729 -6.906 1.407 1.00 0.29 H new ATOM 313 N ILE A 20 2.893 -10.695 3.285 1.00 0.28 N ATOM 314 CA ILE A 20 4.221 -11.185 3.632 1.00 0.30 C ATOM 315 C ILE A 20 4.997 -11.548 2.363 1.00 0.29 C ATOM 316 O ILE A 20 6.206 -11.357 2.299 1.00 0.28 O ATOM 317 CB ILE A 20 4.120 -12.415 4.572 1.00 0.37 C ATOM 318 CG1 ILE A 20 5.505 -12.948 4.949 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.274 -13.516 3.942 1.00 0.41 C ATOM 320 CD1 ILE A 20 6.190 -12.147 6.034 1.00 0.86 C ATOM 0 H ILE A 20 2.130 -11.251 3.670 1.00 0.28 H new ATOM 0 HA ILE A 20 4.756 -10.394 4.158 1.00 0.30 H new ATOM 0 HB ILE A 20 3.629 -12.086 5.488 1.00 0.37 H new ATOM 0 HG12 ILE A 20 5.409 -13.982 5.279 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.136 -12.954 4.061 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.219 -14.367 4.621 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.269 -13.139 3.751 1.00 0.41 H new ATOM 0 HG23 ILE A 20 3.728 -13.831 3.002 1.00 0.41 H new ATOM 0 HD11 ILE A 20 7.166 -12.584 6.248 1.00 0.86 H new ATOM 0 HD12 ILE A 20 6.319 -11.117 5.700 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.580 -12.162 6.937 1.00 0.86 H new ATOM 332 N GLU A 21 4.289 -12.020 1.335 1.00 0.32 N ATOM 333 CA GLU A 21 4.934 -12.378 0.076 1.00 0.33 C ATOM 334 C GLU A 21 5.400 -11.121 -0.644 1.00 0.29 C ATOM 335 O GLU A 21 6.378 -11.141 -1.390 1.00 0.29 O ATOM 336 CB GLU A 21 3.983 -13.154 -0.841 1.00 0.39 C ATOM 337 CG GLU A 21 2.975 -12.265 -1.556 1.00 0.50 C ATOM 338 CD GLU A 21 2.250 -12.974 -2.681 1.00 0.99 C ATOM 339 OE1 GLU A 21 2.822 -13.093 -3.784 1.00 1.73 O ATOM 340 OE2 GLU A 21 1.104 -13.405 -2.473 1.00 1.49 O ATOM 0 H GLU A 21 3.279 -12.161 1.351 1.00 0.32 H new ATOM 0 HA GLU A 21 5.787 -13.015 0.311 1.00 0.33 H new ATOM 0 HB2 GLU A 21 4.568 -13.697 -1.583 1.00 0.39 H new ATOM 0 HB3 GLU A 21 3.447 -13.897 -0.251 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.244 -11.901 -0.834 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.490 -11.392 -1.957 1.00 0.50 H new ATOM 347 N LEU A 22 4.728 -10.012 -0.368 1.00 0.26 N ATOM 348 CA LEU A 22 4.990 -8.779 -1.073 1.00 0.24 C ATOM 349 C LEU A 22 6.189 -8.095 -0.456 1.00 0.21 C ATOM 350 O LEU A 22 7.139 -7.738 -1.150 1.00 0.22 O ATOM 351 CB LEU A 22 3.766 -7.873 -1.043 1.00 0.24 C ATOM 352 CG LEU A 22 2.639 -8.282 -1.987 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.645 -7.147 -2.155 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.202 -8.713 -3.331 1.00 0.44 C ATOM 0 H LEU A 22 3.998 -9.948 0.341 1.00 0.26 H new ATOM 0 HA LEU A 22 5.209 -9.000 -2.118 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.376 -7.847 -0.025 1.00 0.24 H new ATOM 0 HB3 LEU A 22 4.077 -6.858 -1.291 1.00 0.24 H new ATOM 0 HG LEU A 22 2.112 -9.131 -1.551 1.00 0.31 H new ATOM 0 HD11 LEU A 22 0.849 -7.458 -2.832 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.218 -6.891 -1.185 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.154 -6.276 -2.569 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.385 -9.001 -3.992 1.00 0.44 H new ATOM 0 HD22 LEU A 22 3.754 -7.886 -3.776 1.00 0.44 H new ATOM 0 HD23 LEU A 22 3.871 -9.562 -3.190 1.00 0.44 H new ATOM 366 N ARG A 23 6.179 -7.998 0.865 1.00 0.20 N ATOM 367 CA ARG A 23 7.292 -7.405 1.587 1.00 0.19 C ATOM 368 C ARG A 23 8.526 -8.274 1.377 1.00 0.19 C ATOM 369 O ARG A 23 9.644 -7.780 1.314 1.00 0.20 O ATOM 370 CB ARG A 23 6.947 -7.260 3.083 1.00 0.22 C ATOM 371 CG ARG A 23 6.247 -8.474 3.674 1.00 0.32 C ATOM 372 CD ARG A 23 7.164 -9.267 4.582 1.00 0.63 C ATOM 373 NE ARG A 23 7.416 -8.595 5.855 1.00 0.95 N ATOM 374 CZ ARG A 23 8.249 -9.060 6.790 1.00 1.24 C ATOM 375 NH1 ARG A 23 8.973 -10.148 6.557 1.00 1.52 N ATOM 376 NH2 ARG A 23 8.374 -8.426 7.949 1.00 1.92 N ATOM 0 H ARG A 23 5.414 -8.322 1.457 1.00 0.20 H new ATOM 0 HA ARG A 23 7.496 -6.404 1.207 1.00 0.19 H new ATOM 0 HB2 ARG A 23 7.865 -7.074 3.641 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.311 -6.385 3.216 1.00 0.22 H new ATOM 0 HG2 ARG A 23 5.371 -8.150 4.236 1.00 0.32 H new ATOM 0 HG3 ARG A 23 5.890 -9.115 2.868 1.00 0.32 H new ATOM 0 HD2 ARG A 23 6.722 -10.245 4.773 1.00 0.63 H new ATOM 0 HD3 ARG A 23 8.112 -9.440 4.073 1.00 0.63 H new ATOM 0 HE ARG A 23 6.927 -7.719 6.040 1.00 0.95 H new ATOM 0 HH11 ARG A 23 8.894 -10.631 5.662 1.00 1.52 H new ATOM 0 HH12 ARG A 23 9.608 -10.501 7.273 1.00 1.52 H new ATOM 0 HH21 ARG A 23 7.833 -7.580 8.129 1.00 1.92 H new ATOM 0 HH22 ARG A 23 9.011 -8.784 8.660 1.00 1.92 H new ATOM 390 N ARG A 24 8.288 -9.575 1.235 1.00 0.21 N ATOM 391 CA ARG A 24 9.322 -10.533 0.869 1.00 0.23 C ATOM 392 C ARG A 24 9.874 -10.251 -0.527 1.00 0.23 C ATOM 393 O ARG A 24 11.082 -10.307 -0.742 1.00 0.23 O ATOM 394 CB ARG A 24 8.743 -11.945 0.955 1.00 0.29 C ATOM 395 CG ARG A 24 9.557 -13.012 0.252 1.00 0.38 C ATOM 396 CD ARG A 24 8.998 -13.316 -1.130 1.00 0.90 C ATOM 397 NE ARG A 24 9.706 -14.416 -1.775 1.00 1.56 N ATOM 398 CZ ARG A 24 9.528 -14.787 -3.040 1.00 2.17 C ATOM 399 NH1 ARG A 24 8.680 -14.125 -3.823 1.00 2.19 N ATOM 400 NH2 ARG A 24 10.204 -15.820 -3.522 1.00 2.94 N ATOM 0 H ARG A 24 7.368 -9.994 1.372 1.00 0.21 H new ATOM 0 HA ARG A 24 10.156 -10.440 1.564 1.00 0.23 H new ATOM 0 HB2 ARG A 24 8.643 -12.218 2.006 1.00 0.29 H new ATOM 0 HB3 ARG A 24 7.739 -11.937 0.531 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.592 -12.682 0.163 1.00 0.38 H new ATOM 0 HG3 ARG A 24 9.563 -13.922 0.852 1.00 0.38 H new ATOM 0 HD2 ARG A 24 7.940 -13.565 -1.047 1.00 0.90 H new ATOM 0 HD3 ARG A 24 9.068 -12.425 -1.754 1.00 0.90 H new ATOM 0 HE ARG A 24 10.384 -14.936 -1.218 1.00 1.56 H new ATOM 0 HH11 ARG A 24 8.162 -13.328 -3.454 1.00 2.19 H new ATOM 0 HH12 ARG A 24 8.548 -14.415 -4.792 1.00 2.19 H new ATOM 0 HH21 ARG A 24 10.857 -16.326 -2.924 1.00 2.94 H new ATOM 0 HH22 ARG A 24 10.071 -16.109 -4.491 1.00 2.94 H new ATOM 414 N THR A 25 8.989 -9.943 -1.472 1.00 0.24 N ATOM 415 CA THR A 25 9.398 -9.649 -2.842 1.00 0.26 C ATOM 416 C THR A 25 10.309 -8.431 -2.883 1.00 0.23 C ATOM 417 O THR A 25 11.257 -8.365 -3.667 1.00 0.24 O ATOM 418 CB THR A 25 8.173 -9.382 -3.735 1.00 0.29 C ATOM 419 OG1 THR A 25 7.317 -10.532 -3.742 1.00 0.34 O ATOM 420 CG2 THR A 25 8.592 -9.046 -5.157 1.00 0.33 C ATOM 0 H THR A 25 7.983 -9.891 -1.313 1.00 0.24 H new ATOM 0 HA THR A 25 9.936 -10.520 -3.216 1.00 0.26 H new ATOM 0 HB THR A 25 7.635 -8.526 -3.327 1.00 0.29 H new ATOM 0 HG1 THR A 25 6.850 -10.598 -2.883 1.00 0.34 H new ATOM 0 HG21 THR A 25 7.705 -8.863 -5.764 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.218 -8.154 -5.151 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.153 -9.880 -5.578 1.00 0.33 H new ATOM 428 N LEU A 26 10.028 -7.481 -2.006 1.00 0.20 N ATOM 429 CA LEU A 26 10.765 -6.232 -1.980 1.00 0.20 C ATOM 430 C LEU A 26 11.944 -6.360 -1.030 1.00 0.20 C ATOM 431 O LEU A 26 12.835 -5.514 -1.002 1.00 0.22 O ATOM 432 CB LEU A 26 9.856 -5.095 -1.515 1.00 0.20 C ATOM 433 CG LEU A 26 8.372 -5.280 -1.830 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.545 -4.185 -1.186 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.125 -5.352 -3.334 1.00 0.26 C ATOM 0 H LEU A 26 9.293 -7.553 -1.302 1.00 0.20 H new ATOM 0 HA LEU A 26 11.125 -6.010 -2.984 1.00 0.20 H new ATOM 0 HB2 LEU A 26 9.971 -4.977 -0.438 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.196 -4.167 -1.975 1.00 0.20 H new ATOM 0 HG LEU A 26 8.057 -6.233 -1.405 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.492 -4.337 -1.424 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.681 -4.214 -0.105 1.00 0.22 H new ATOM 0 HD13 LEU A 26 7.866 -3.215 -1.566 1.00 0.22 H new ATOM 0 HD21 LEU A 26 7.059 -5.484 -3.522 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.465 -4.429 -3.803 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.674 -6.195 -3.753 1.00 0.26 H new ATOM 447 N GLY A 27 11.949 -7.448 -0.271 1.00 0.20 N ATOM 448 CA GLY A 27 12.916 -7.623 0.788 1.00 0.23 C ATOM 449 C GLY A 27 12.839 -6.518 1.823 1.00 0.24 C ATOM 450 O GLY A 27 13.857 -6.107 2.378 1.00 0.28 O ATOM 0 H GLY A 27 11.290 -8.220 -0.375 1.00 0.20 H new ATOM 0 HA2 GLY A 27 12.751 -8.585 1.273 1.00 0.23 H new ATOM 0 HA3 GLY A 27 13.919 -7.649 0.361 1.00 0.23 H new ATOM 454 N ILE A 28 11.631 -6.029 2.078 1.00 0.24 N ATOM 455 CA ILE A 28 11.438 -4.958 3.043 1.00 0.25 C ATOM 456 C ILE A 28 10.799 -5.465 4.322 1.00 0.22 C ATOM 457 O ILE A 28 10.220 -6.554 4.363 1.00 0.22 O ATOM 458 CB ILE A 28 10.548 -3.824 2.511 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.157 -4.354 2.160 1.00 0.32 C ATOM 460 CG2 ILE A 28 11.194 -3.154 1.311 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.094 -3.281 2.173 1.00 0.43 C ATOM 0 H ILE A 28 10.775 -6.357 1.631 1.00 0.24 H new ATOM 0 HA ILE A 28 12.440 -4.574 3.235 1.00 0.25 H new ATOM 0 HB ILE A 28 10.437 -3.075 3.295 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.188 -4.814 1.172 1.00 0.32 H new ATOM 0 HG13 ILE A 28 8.884 -5.137 2.868 1.00 0.32 H new ATOM 0 HG21 ILE A 28 10.548 -2.354 0.949 1.00 0.37 H new ATOM 0 HG22 ILE A 28 12.159 -2.738 1.602 1.00 0.37 H new ATOM 0 HG23 ILE A 28 11.340 -3.889 0.519 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.130 -3.721 1.916 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.037 -2.837 3.167 1.00 0.43 H new ATOM 0 HD13 ILE A 28 8.347 -2.510 1.445 1.00 0.43 H new ATOM 473 N ALA A 29 10.900 -4.640 5.348 1.00 0.22 N ATOM 474 CA ALA A 29 10.286 -4.896 6.636 1.00 0.23 C ATOM 475 C ALA A 29 10.494 -3.699 7.538 1.00 0.23 C ATOM 476 O ALA A 29 11.488 -2.995 7.412 1.00 0.26 O ATOM 477 CB ALA A 29 10.873 -6.145 7.284 1.00 0.25 C ATOM 0 H ALA A 29 11.418 -3.762 5.309 1.00 0.22 H new ATOM 0 HA ALA A 29 9.219 -5.063 6.486 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.395 -6.313 8.249 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.700 -7.006 6.638 1.00 0.25 H new ATOM 0 HB3 ALA A 29 11.945 -6.010 7.429 1.00 0.25 H new ATOM 483 N GLU A 30 9.532 -3.481 8.426 1.00 0.25 N ATOM 484 CA GLU A 30 9.570 -2.439 9.450 1.00 0.28 C ATOM 485 C GLU A 30 10.298 -1.144 9.054 1.00 0.30 C ATOM 486 O GLU A 30 9.683 -0.218 8.530 1.00 0.32 O ATOM 487 CB GLU A 30 10.136 -3.002 10.757 1.00 0.32 C ATOM 488 CG GLU A 30 11.197 -4.078 10.583 1.00 0.35 C ATOM 489 CD GLU A 30 11.664 -4.642 11.907 1.00 0.49 C ATOM 490 OE1 GLU A 30 10.985 -5.538 12.451 1.00 1.22 O ATOM 491 OE2 GLU A 30 12.706 -4.187 12.420 1.00 1.10 O ATOM 0 H GLU A 30 8.679 -4.039 8.456 1.00 0.25 H new ATOM 0 HA GLU A 30 8.531 -2.136 9.583 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.562 -2.182 11.335 1.00 0.32 H new ATOM 0 HB3 GLU A 30 9.315 -3.413 11.345 1.00 0.32 H new ATOM 0 HG2 GLU A 30 10.797 -4.884 9.968 1.00 0.35 H new ATOM 0 HG3 GLU A 30 12.050 -3.661 10.047 1.00 0.35 H new ATOM 498 N LYS A 31 11.601 -1.091 9.311 1.00 0.32 N ATOM 499 CA LYS A 31 12.385 0.132 9.156 1.00 0.38 C ATOM 500 C LYS A 31 12.703 0.472 7.700 1.00 0.35 C ATOM 501 O LYS A 31 13.436 1.427 7.437 1.00 0.40 O ATOM 502 CB LYS A 31 13.688 0.000 9.922 1.00 0.47 C ATOM 503 CG LYS A 31 13.500 -0.251 11.403 1.00 0.57 C ATOM 504 CD LYS A 31 12.899 0.961 12.088 1.00 0.67 C ATOM 505 CE LYS A 31 11.450 0.728 12.475 1.00 0.67 C ATOM 506 NZ LYS A 31 10.890 1.882 13.223 1.00 0.85 N ATOM 0 H LYS A 31 12.144 -1.893 9.632 1.00 0.32 H new ATOM 0 HA LYS A 31 11.772 0.943 9.551 1.00 0.38 H new ATOM 0 HB2 LYS A 31 14.269 -0.817 9.495 1.00 0.47 H new ATOM 0 HB3 LYS A 31 14.272 0.911 9.788 1.00 0.47 H new ATOM 0 HG2 LYS A 31 12.851 -1.115 11.550 1.00 0.57 H new ATOM 0 HG3 LYS A 31 14.460 -0.492 11.859 1.00 0.57 H new ATOM 0 HD2 LYS A 31 13.479 1.200 12.979 1.00 0.67 H new ATOM 0 HD3 LYS A 31 12.964 1.823 11.424 1.00 0.67 H new ATOM 0 HE2 LYS A 31 10.857 0.554 11.577 1.00 0.67 H new ATOM 0 HE3 LYS A 31 11.376 -0.172 13.086 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 9.899 1.687 13.471 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 11.441 2.033 14.092 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 10.937 2.736 12.631 1.00 0.85 H new ATOM 520 N ASP A 32 12.171 -0.288 6.757 1.00 0.27 N ATOM 521 CA ASP A 32 12.455 -0.033 5.353 1.00 0.24 C ATOM 522 C ASP A 32 11.497 1.009 4.808 1.00 0.22 C ATOM 523 O ASP A 32 10.557 1.422 5.492 1.00 0.23 O ATOM 524 CB ASP A 32 12.379 -1.312 4.514 1.00 0.23 C ATOM 525 CG ASP A 32 13.552 -2.243 4.758 1.00 0.55 C ATOM 526 OD1 ASP A 32 14.678 -1.919 4.325 1.00 0.94 O ATOM 527 OD2 ASP A 32 13.358 -3.301 5.384 1.00 1.54 O ATOM 0 H ASP A 32 11.548 -1.076 6.933 1.00 0.27 H new ATOM 0 HA ASP A 32 13.476 0.344 5.286 1.00 0.24 H new ATOM 0 HB2 ASP A 32 11.451 -1.836 4.742 1.00 0.23 H new ATOM 0 HB3 ASP A 32 12.344 -1.047 3.457 1.00 0.23 H new ATOM 532 N ALA A 33 11.752 1.462 3.597 1.00 0.21 N ATOM 533 CA ALA A 33 10.910 2.469 2.987 1.00 0.20 C ATOM 534 C ALA A 33 10.357 2.018 1.647 1.00 0.20 C ATOM 535 O ALA A 33 10.952 1.194 0.948 1.00 0.21 O ATOM 536 CB ALA A 33 11.682 3.765 2.829 1.00 0.23 C ATOM 0 H ALA A 33 12.532 1.150 3.019 1.00 0.21 H new ATOM 0 HA ALA A 33 10.059 2.631 3.649 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.041 4.517 2.369 1.00 0.23 H new ATOM 0 HB2 ALA A 33 12.008 4.116 3.808 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.553 3.595 2.196 1.00 0.23 H new ATOM 542 N LEU A 34 9.212 2.577 1.304 1.00 0.20 N ATOM 543 CA LEU A 34 8.553 2.317 0.043 1.00 0.20 C ATOM 544 C LEU A 34 8.356 3.636 -0.668 1.00 0.20 C ATOM 545 O LEU A 34 8.259 4.682 -0.028 1.00 0.22 O ATOM 546 CB LEU A 34 7.184 1.652 0.248 1.00 0.23 C ATOM 547 CG LEU A 34 7.192 0.222 0.796 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.449 0.214 2.294 1.00 1.15 C ATOM 549 CD2 LEU A 34 5.876 -0.471 0.477 1.00 0.67 C ATOM 0 H LEU A 34 8.709 3.232 1.902 1.00 0.20 H new ATOM 0 HA LEU A 34 9.173 1.638 -0.543 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.601 2.274 0.927 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.661 1.648 -0.708 1.00 0.23 H new ATOM 0 HG LEU A 34 8.002 -0.324 0.313 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.450 -0.814 2.658 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.416 0.672 2.500 1.00 1.15 H new ATOM 0 HD13 LEU A 34 6.666 0.778 2.801 1.00 1.15 H new ATOM 0 HD21 LEU A 34 5.895 -1.487 0.872 1.00 0.67 H new ATOM 0 HD22 LEU A 34 5.054 0.081 0.933 1.00 0.67 H new ATOM 0 HD23 LEU A 34 5.735 -0.504 -0.603 1.00 0.67 H new ATOM 561 N GLU A 35 8.290 3.589 -1.973 1.00 0.19 N ATOM 562 CA GLU A 35 8.047 4.769 -2.757 1.00 0.21 C ATOM 563 C GLU A 35 6.629 4.704 -3.312 1.00 0.20 C ATOM 564 O GLU A 35 6.326 3.910 -4.206 1.00 0.21 O ATOM 565 CB GLU A 35 9.076 4.889 -3.875 1.00 0.25 C ATOM 566 CG GLU A 35 9.324 6.323 -4.287 1.00 0.59 C ATOM 567 CD GLU A 35 10.479 6.464 -5.256 1.00 0.56 C ATOM 568 OE1 GLU A 35 10.303 6.142 -6.450 1.00 1.19 O ATOM 569 OE2 GLU A 35 11.562 6.912 -4.830 1.00 1.28 O ATOM 0 H GLU A 35 8.403 2.735 -2.519 1.00 0.19 H new ATOM 0 HA GLU A 35 8.145 5.657 -2.132 1.00 0.21 H new ATOM 0 HB2 GLU A 35 10.015 4.441 -3.549 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.735 4.320 -4.740 1.00 0.25 H new ATOM 0 HG2 GLU A 35 8.421 6.726 -4.745 1.00 0.59 H new ATOM 0 HG3 GLU A 35 9.526 6.922 -3.399 1.00 0.59 H new ATOM 576 N ILE A 36 5.759 5.513 -2.734 1.00 0.21 N ATOM 577 CA ILE A 36 4.342 5.493 -3.053 1.00 0.23 C ATOM 578 C ILE A 36 4.018 6.442 -4.197 1.00 0.25 C ATOM 579 O ILE A 36 4.314 7.635 -4.143 1.00 0.27 O ATOM 580 CB ILE A 36 3.480 5.873 -1.815 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.355 4.704 -0.834 1.00 0.25 C ATOM 582 CG2 ILE A 36 2.094 6.352 -2.228 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.666 4.278 -0.221 1.00 0.25 C ATOM 0 H ILE A 36 6.015 6.204 -2.029 1.00 0.21 H new ATOM 0 HA ILE A 36 4.101 4.474 -3.357 1.00 0.23 H new ATOM 0 HB ILE A 36 3.996 6.691 -1.312 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.666 4.983 -0.037 1.00 0.25 H new ATOM 0 HG13 ILE A 36 2.914 3.853 -1.353 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.518 6.609 -1.339 1.00 0.29 H new ATOM 0 HG22 ILE A 36 2.188 7.231 -2.866 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.583 5.559 -2.775 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.495 3.446 0.462 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.352 3.966 -1.009 1.00 0.25 H new ATOM 0 HD13 ILE A 36 5.100 5.114 0.327 1.00 0.25 H new ATOM 595 N TYR A 37 3.405 5.897 -5.226 1.00 0.25 N ATOM 596 CA TYR A 37 2.872 6.676 -6.320 1.00 0.24 C ATOM 597 C TYR A 37 1.360 6.507 -6.307 1.00 0.19 C ATOM 598 O TYR A 37 0.834 5.688 -5.551 1.00 0.22 O ATOM 599 CB TYR A 37 3.409 6.214 -7.677 1.00 0.31 C ATOM 600 CG TYR A 37 4.854 5.749 -7.682 1.00 1.10 C ATOM 601 CD1 TYR A 37 5.176 4.422 -7.416 1.00 2.03 C ATOM 602 CD2 TYR A 37 5.889 6.626 -7.969 1.00 1.91 C ATOM 603 CE1 TYR A 37 6.486 3.986 -7.433 1.00 2.97 C ATOM 604 CE2 TYR A 37 7.204 6.196 -7.990 1.00 2.86 C ATOM 605 CZ TYR A 37 7.494 4.876 -7.720 1.00 3.23 C ATOM 606 OH TYR A 37 8.799 4.443 -7.742 1.00 4.30 O ATOM 0 H TYR A 37 3.262 4.892 -5.326 1.00 0.25 H new ATOM 0 HA TYR A 37 3.171 7.716 -6.188 1.00 0.24 H new ATOM 0 HB2 TYR A 37 2.782 5.399 -8.038 1.00 0.31 H new ATOM 0 HB3 TYR A 37 3.307 7.034 -8.387 1.00 0.31 H new ATOM 0 HD1 TYR A 37 4.387 3.720 -7.192 1.00 2.03 H new ATOM 0 HD2 TYR A 37 5.665 7.661 -8.180 1.00 1.91 H new ATOM 0 HE1 TYR A 37 6.717 2.952 -7.222 1.00 2.97 H new ATOM 0 HE2 TYR A 37 7.999 6.891 -8.217 1.00 2.86 H new ATOM 0 HH TYR A 37 9.314 4.923 -7.061 1.00 4.30 H new ATOM 616 N VAL A 38 0.661 7.251 -7.136 1.00 0.21 N ATOM 617 CA VAL A 38 -0.777 7.113 -7.219 1.00 0.19 C ATOM 618 C VAL A 38 -1.200 6.875 -8.665 1.00 0.20 C ATOM 619 O VAL A 38 -0.617 7.443 -9.589 1.00 0.25 O ATOM 620 CB VAL A 38 -1.498 8.348 -6.640 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.278 9.577 -7.506 1.00 0.26 C ATOM 622 CG2 VAL A 38 -2.978 8.051 -6.476 1.00 0.18 C ATOM 0 H VAL A 38 1.061 7.953 -7.758 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.067 6.251 -6.618 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.074 8.567 -5.660 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.800 10.428 -7.069 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.212 9.795 -7.563 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.665 9.390 -8.508 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.482 8.927 -6.067 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.409 7.805 -7.446 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.107 7.208 -5.797 1.00 0.18 H new ATOM 632 N ASP A 39 -2.182 6.010 -8.858 1.00 0.20 N ATOM 633 CA ASP A 39 -2.655 5.692 -10.195 1.00 0.24 C ATOM 634 C ASP A 39 -4.166 5.826 -10.262 1.00 0.26 C ATOM 635 O ASP A 39 -4.895 4.834 -10.233 1.00 0.30 O ATOM 636 CB ASP A 39 -2.214 4.283 -10.601 1.00 0.27 C ATOM 637 CG ASP A 39 -2.409 4.008 -12.078 1.00 0.40 C ATOM 638 OD1 ASP A 39 -1.757 4.686 -12.901 1.00 1.15 O ATOM 639 OD2 ASP A 39 -3.200 3.106 -12.424 1.00 1.07 O ATOM 0 H ASP A 39 -2.666 5.517 -8.108 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.215 6.399 -10.899 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.162 4.149 -10.347 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.777 3.551 -10.023 1.00 0.27 H new ATOM 644 N ASP A 40 -4.601 7.082 -10.330 1.00 0.32 N ATOM 645 CA ASP A 40 -6.017 7.474 -10.388 1.00 0.39 C ATOM 646 C ASP A 40 -6.846 6.888 -9.246 1.00 0.34 C ATOM 647 O ASP A 40 -7.144 7.571 -8.265 1.00 0.41 O ATOM 648 CB ASP A 40 -6.648 7.089 -11.728 1.00 0.54 C ATOM 649 CG ASP A 40 -7.878 7.923 -12.029 1.00 0.97 C ATOM 650 OD1 ASP A 40 -7.959 9.071 -11.539 1.00 1.41 O ATOM 651 OD2 ASP A 40 -8.774 7.439 -12.754 1.00 1.83 O ATOM 0 H ASP A 40 -3.966 7.880 -10.347 1.00 0.32 H new ATOM 0 HA ASP A 40 -6.027 8.559 -10.281 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -5.916 7.219 -12.525 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -6.919 6.033 -11.713 1.00 0.54 H new ATOM 656 N GLU A 41 -7.218 5.625 -9.388 1.00 0.38 N ATOM 657 CA GLU A 41 -8.108 4.965 -8.445 1.00 0.49 C ATOM 658 C GLU A 41 -7.332 4.005 -7.550 1.00 0.42 C ATOM 659 O GLU A 41 -7.847 3.530 -6.537 1.00 0.64 O ATOM 660 CB GLU A 41 -9.180 4.195 -9.215 1.00 0.71 C ATOM 661 CG GLU A 41 -9.821 5.007 -10.327 1.00 1.19 C ATOM 662 CD GLU A 41 -10.800 4.197 -11.148 1.00 1.86 C ATOM 663 OE1 GLU A 41 -11.997 4.161 -10.795 1.00 2.28 O ATOM 664 OE2 GLU A 41 -10.379 3.589 -12.152 1.00 2.54 O ATOM 0 H GLU A 41 -6.912 5.030 -10.158 1.00 0.38 H new ATOM 0 HA GLU A 41 -8.575 5.722 -7.815 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -8.736 3.295 -9.641 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -9.954 3.870 -8.520 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.337 5.864 -9.895 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -9.042 5.400 -10.980 1.00 1.19 H new ATOM 671 N LYS A 42 -6.096 3.721 -7.937 1.00 0.26 N ATOM 672 CA LYS A 42 -5.282 2.739 -7.239 1.00 0.26 C ATOM 673 C LYS A 42 -4.070 3.396 -6.596 1.00 0.18 C ATOM 674 O LYS A 42 -3.648 4.481 -7.001 1.00 0.18 O ATOM 675 CB LYS A 42 -4.805 1.670 -8.217 1.00 0.39 C ATOM 676 CG LYS A 42 -5.920 1.029 -9.026 1.00 0.78 C ATOM 677 CD LYS A 42 -5.627 1.100 -10.516 1.00 0.87 C ATOM 678 CE LYS A 42 -4.356 0.347 -10.875 1.00 0.55 C ATOM 679 NZ LYS A 42 -3.969 0.560 -12.294 1.00 0.81 N ATOM 0 H LYS A 42 -5.635 4.160 -8.734 1.00 0.26 H new ATOM 0 HA LYS A 42 -5.895 2.286 -6.460 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.083 2.115 -8.902 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -4.280 0.893 -7.662 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -6.039 -0.012 -8.725 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -6.863 1.532 -8.813 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -6.467 0.683 -11.072 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -5.530 2.143 -10.819 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -3.545 0.673 -10.224 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -4.501 -0.718 -10.694 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -3.355 -0.219 -12.607 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -4.823 0.587 -12.886 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -3.457 1.461 -12.383 1.00 0.81 H new ATOM 693 N ILE A 43 -3.514 2.727 -5.603 1.00 0.16 N ATOM 694 CA ILE A 43 -2.272 3.151 -4.989 1.00 0.15 C ATOM 695 C ILE A 43 -1.151 2.249 -5.476 1.00 0.16 C ATOM 696 O ILE A 43 -1.332 1.035 -5.578 1.00 0.21 O ATOM 697 CB ILE A 43 -2.346 3.075 -3.453 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.558 3.858 -2.946 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.060 3.615 -2.848 1.00 0.26 C ATOM 700 CD1 ILE A 43 -3.835 3.659 -1.473 1.00 0.34 C ATOM 0 H ILE A 43 -3.910 1.877 -5.201 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.087 4.188 -5.270 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.461 2.035 -3.149 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.400 4.919 -3.137 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.438 3.559 -3.516 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.118 3.559 -1.761 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.216 3.021 -3.198 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -0.923 4.653 -3.151 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -4.708 4.244 -1.185 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.025 2.604 -1.278 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -2.972 3.985 -0.893 1.00 0.34 H new ATOM 712 N ILE A 44 -0.011 2.832 -5.785 1.00 0.14 N ATOM 713 CA ILE A 44 1.107 2.068 -6.321 1.00 0.16 C ATOM 714 C ILE A 44 2.327 2.274 -5.450 1.00 0.17 C ATOM 715 O ILE A 44 2.948 3.323 -5.513 1.00 0.20 O ATOM 716 CB ILE A 44 1.466 2.492 -7.766 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.208 2.664 -8.626 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.407 1.470 -8.394 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.598 1.397 -8.810 1.00 0.18 C ATOM 0 H ILE A 44 0.170 3.830 -5.676 1.00 0.14 H new ATOM 0 HA ILE A 44 0.804 1.021 -6.333 1.00 0.16 H new ATOM 0 HB ILE A 44 1.971 3.457 -7.720 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.428 3.423 -8.171 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.501 3.040 -9.606 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.653 1.778 -9.410 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.321 1.405 -7.803 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.921 0.495 -8.418 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.470 1.607 -9.430 1.00 0.18 H new ATOM 0 HD12 ILE A 44 0.019 0.641 -9.295 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -0.925 1.029 -7.837 1.00 0.18 H new ATOM 731 N LEU A 45 2.696 1.296 -4.648 1.00 0.18 N ATOM 732 CA LEU A 45 3.866 1.471 -3.804 1.00 0.18 C ATOM 733 C LEU A 45 4.924 0.436 -4.115 1.00 0.20 C ATOM 734 O LEU A 45 4.703 -0.770 -4.023 1.00 0.33 O ATOM 735 CB LEU A 45 3.535 1.514 -2.304 1.00 0.36 C ATOM 736 CG LEU A 45 2.328 0.708 -1.835 1.00 0.32 C ATOM 737 CD1 LEU A 45 2.716 -0.730 -1.551 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.709 1.352 -0.604 1.00 1.10 C ATOM 0 H LEU A 45 2.222 0.397 -4.561 1.00 0.18 H new ATOM 0 HA LEU A 45 4.272 2.454 -4.044 1.00 0.18 H new ATOM 0 HB2 LEU A 45 4.409 1.165 -1.755 1.00 0.36 H new ATOM 0 HB3 LEU A 45 3.377 2.555 -2.022 1.00 0.36 H new ATOM 0 HG LEU A 45 1.586 0.704 -2.634 1.00 0.32 H new ATOM 0 HD11 LEU A 45 1.839 -1.285 -1.218 1.00 1.30 H new ATOM 0 HD12 LEU A 45 3.111 -1.186 -2.459 1.00 1.30 H new ATOM 0 HD13 LEU A 45 3.478 -0.754 -0.772 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.849 0.766 -0.281 1.00 1.10 H new ATOM 0 HD22 LEU A 45 2.446 1.387 0.198 1.00 1.10 H new ATOM 0 HD23 LEU A 45 1.388 2.365 -0.846 1.00 1.10 H new ATOM 750 N LYS A 46 6.060 0.944 -4.537 1.00 0.19 N ATOM 751 CA LYS A 46 7.220 0.137 -4.838 1.00 0.29 C ATOM 752 C LYS A 46 8.190 0.272 -3.688 1.00 0.32 C ATOM 753 O LYS A 46 8.025 1.141 -2.849 1.00 0.54 O ATOM 754 CB LYS A 46 7.847 0.640 -6.142 1.00 0.38 C ATOM 755 CG LYS A 46 8.995 -0.196 -6.678 1.00 0.85 C ATOM 756 CD LYS A 46 9.631 0.495 -7.863 1.00 1.00 C ATOM 757 CE LYS A 46 10.389 1.733 -7.417 1.00 1.15 C ATOM 758 NZ LYS A 46 10.875 2.545 -8.563 1.00 1.41 N ATOM 0 H LYS A 46 6.206 1.943 -4.683 1.00 0.19 H new ATOM 0 HA LYS A 46 6.953 -0.912 -4.965 1.00 0.29 H new ATOM 0 HB2 LYS A 46 7.069 0.689 -6.904 1.00 0.38 H new ATOM 0 HB3 LYS A 46 8.204 1.658 -5.985 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.738 -0.352 -5.896 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.632 -1.180 -6.973 1.00 0.85 H new ATOM 0 HD2 LYS A 46 10.310 -0.191 -8.369 1.00 1.00 H new ATOM 0 HD3 LYS A 46 8.862 0.773 -8.584 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.741 2.346 -6.790 1.00 1.15 H new ATOM 0 HE3 LYS A 46 11.238 1.434 -6.802 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 11.876 2.786 -8.418 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 10.774 1.999 -9.443 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 10.315 3.419 -8.632 1.00 1.41 H new ATOM 772 N LYS A 47 9.163 -0.597 -3.615 1.00 0.27 N ATOM 773 CA LYS A 47 10.235 -0.417 -2.651 1.00 0.28 C ATOM 774 C LYS A 47 11.021 0.840 -3.009 1.00 0.29 C ATOM 775 O LYS A 47 11.297 1.087 -4.187 1.00 0.34 O ATOM 776 CB LYS A 47 11.167 -1.630 -2.639 1.00 0.39 C ATOM 777 CG LYS A 47 12.324 -1.503 -1.659 1.00 1.26 C ATOM 778 CD LYS A 47 13.288 -2.666 -1.790 1.00 1.27 C ATOM 779 CE LYS A 47 14.332 -2.662 -0.686 1.00 2.37 C ATOM 780 NZ LYS A 47 15.163 -3.893 -0.714 1.00 2.68 N ATOM 0 H LYS A 47 9.243 -1.429 -4.200 1.00 0.27 H new ATOM 0 HA LYS A 47 9.803 -0.313 -1.656 1.00 0.28 H new ATOM 0 HB2 LYS A 47 10.588 -2.519 -2.390 1.00 0.39 H new ATOM 0 HB3 LYS A 47 11.567 -1.780 -3.642 1.00 0.39 H new ATOM 0 HG2 LYS A 47 12.854 -0.567 -1.838 1.00 1.26 H new ATOM 0 HG3 LYS A 47 11.938 -1.461 -0.641 1.00 1.26 H new ATOM 0 HD2 LYS A 47 12.732 -3.603 -1.761 1.00 1.27 H new ATOM 0 HD3 LYS A 47 13.784 -2.619 -2.759 1.00 1.27 H new ATOM 0 HE2 LYS A 47 14.973 -1.787 -0.794 1.00 2.37 H new ATOM 0 HE3 LYS A 47 13.838 -2.578 0.282 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 15.708 -3.964 0.169 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 14.547 -4.726 -0.808 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 15.816 -3.853 -1.522 1.00 2.68 H new ATOM 794 N TYR A 48 11.358 1.638 -2.004 1.00 0.32 N ATOM 795 CA TYR A 48 12.166 2.827 -2.217 1.00 0.41 C ATOM 796 C TYR A 48 13.517 2.423 -2.803 1.00 0.53 C ATOM 797 O TYR A 48 13.971 1.293 -2.602 1.00 0.60 O ATOM 798 CB TYR A 48 12.346 3.581 -0.891 1.00 0.48 C ATOM 799 CG TYR A 48 13.300 4.751 -0.963 1.00 1.10 C ATOM 800 CD1 TYR A 48 12.968 5.913 -1.650 1.00 2.02 C ATOM 801 CD2 TYR A 48 14.541 4.684 -0.346 1.00 1.68 C ATOM 802 CE1 TYR A 48 13.850 6.975 -1.718 1.00 2.71 C ATOM 803 CE2 TYR A 48 15.426 5.738 -0.412 1.00 2.40 C ATOM 804 CZ TYR A 48 15.078 6.880 -1.097 1.00 2.72 C ATOM 805 OH TYR A 48 15.966 7.930 -1.160 1.00 3.55 O ATOM 0 H TYR A 48 11.083 1.482 -1.034 1.00 0.32 H new ATOM 0 HA TYR A 48 11.665 3.492 -2.920 1.00 0.41 H new ATOM 0 HB2 TYR A 48 11.373 3.941 -0.557 1.00 0.48 H new ATOM 0 HB3 TYR A 48 12.704 2.882 -0.135 1.00 0.48 H new ATOM 0 HD1 TYR A 48 12.007 5.987 -2.138 1.00 2.02 H new ATOM 0 HD2 TYR A 48 14.818 3.791 0.195 1.00 1.68 H new ATOM 0 HE1 TYR A 48 13.580 7.873 -2.254 1.00 2.71 H new ATOM 0 HE2 TYR A 48 16.389 5.668 0.072 1.00 2.40 H new ATOM 0 HH TYR A 48 16.782 7.698 -0.669 1.00 3.55 H new ATOM 939 N SER B 3 1.465 12.363 -3.090 1.00 0.46 N ATOM 940 CA SER B 3 1.818 11.066 -3.635 1.00 0.38 C ATOM 941 C SER B 3 2.640 11.188 -4.912 1.00 0.36 C ATOM 942 O SER B 3 3.207 12.240 -5.214 1.00 0.41 O ATOM 943 CB SER B 3 0.518 10.320 -3.930 1.00 0.41 C ATOM 944 OG SER B 3 -0.235 10.158 -2.745 1.00 0.44 O ATOM 0 HA SER B 3 2.431 10.529 -2.911 1.00 0.38 H new ATOM 0 HB2 SER B 3 -0.066 10.871 -4.667 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.741 9.345 -4.363 1.00 0.41 H new ATOM 0 HG SER B 3 -0.640 11.015 -2.495 1.00 0.44 H new ATOM 950 N THR B 4 2.686 10.089 -5.647 1.00 0.35 N ATOM 951 CA THR B 4 3.364 10.022 -6.926 1.00 0.35 C ATOM 952 C THR B 4 4.882 10.115 -6.757 1.00 0.34 C ATOM 953 O THR B 4 5.530 11.028 -7.267 1.00 0.40 O ATOM 954 CB THR B 4 2.864 11.109 -7.901 1.00 0.36 C ATOM 955 OG1 THR B 4 1.436 11.225 -7.807 1.00 0.35 O ATOM 956 CG2 THR B 4 3.242 10.761 -9.331 1.00 0.41 C ATOM 0 H THR B 4 2.249 9.211 -5.368 1.00 0.35 H new ATOM 0 HA THR B 4 3.124 9.051 -7.359 1.00 0.35 H new ATOM 0 HB THR B 4 3.332 12.055 -7.630 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.123 11.917 -8.426 1.00 0.35 H new ATOM 0 HG21 THR B 4 2.880 11.540 -10.003 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.326 10.686 -9.413 1.00 0.41 H new ATOM 0 HG23 THR B 4 2.791 9.807 -9.605 1.00 0.41 H new ATOM 964 N GLY B 5 5.431 9.171 -6.009 1.00 0.30 N ATOM 965 CA GLY B 5 6.864 9.082 -5.846 1.00 0.30 C ATOM 966 C GLY B 5 7.318 9.575 -4.493 1.00 0.29 C ATOM 967 O GLY B 5 8.383 10.179 -4.371 1.00 0.32 O ATOM 0 H GLY B 5 4.902 8.458 -5.507 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.179 8.047 -5.978 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.353 9.666 -6.626 1.00 0.30 H new ATOM 971 N ILE B 6 6.516 9.318 -3.474 1.00 0.28 N ATOM 972 CA ILE B 6 6.843 9.761 -2.133 1.00 0.29 C ATOM 973 C ILE B 6 7.215 8.575 -1.247 1.00 0.25 C ATOM 974 O ILE B 6 6.565 7.534 -1.279 1.00 0.24 O ATOM 975 CB ILE B 6 5.688 10.558 -1.491 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.169 11.170 -0.177 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.460 9.682 -1.268 1.00 0.32 C ATOM 978 CD1 ILE B 6 7.181 12.277 -0.368 1.00 0.52 C ATOM 0 H ILE B 6 5.637 8.806 -3.551 1.00 0.28 H new ATOM 0 HA ILE B 6 7.702 10.427 -2.217 1.00 0.29 H new ATOM 0 HB ILE B 6 5.390 11.355 -2.173 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.311 11.562 0.369 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.609 10.387 0.441 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.667 10.276 -0.815 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.116 9.287 -2.224 1.00 0.32 H new ATOM 0 HG23 ILE B 6 4.718 8.856 -0.606 1.00 0.32 H new ATOM 0 HD11 ILE B 6 7.481 12.668 0.604 1.00 0.52 H new ATOM 0 HD12 ILE B 6 8.056 11.885 -0.887 1.00 0.52 H new ATOM 0 HD13 ILE B 6 6.737 13.078 -0.960 1.00 0.52 H new ATOM 990 N VAL B 7 8.259 8.737 -0.459 1.00 0.25 N ATOM 991 CA VAL B 7 8.792 7.644 0.338 1.00 0.24 C ATOM 992 C VAL B 7 8.115 7.562 1.713 1.00 0.28 C ATOM 993 O VAL B 7 8.056 8.545 2.449 1.00 0.37 O ATOM 994 CB VAL B 7 10.321 7.787 0.503 1.00 0.25 C ATOM 995 CG1 VAL B 7 10.692 9.120 1.143 1.00 0.31 C ATOM 996 CG2 VAL B 7 10.872 6.632 1.310 1.00 0.30 C ATOM 0 H VAL B 7 8.759 9.619 -0.351 1.00 0.25 H new ATOM 0 HA VAL B 7 8.578 6.717 -0.195 1.00 0.24 H new ATOM 0 HB VAL B 7 10.770 7.765 -0.490 1.00 0.25 H new ATOM 0 HG11 VAL B 7 11.775 9.186 1.244 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.335 9.937 0.515 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.231 9.191 2.128 1.00 0.31 H new ATOM 0 HG21 VAL B 7 11.951 6.746 1.418 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.407 6.623 2.296 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.656 5.694 0.798 1.00 0.30 H new ATOM 1006 N ARG B 8 7.573 6.392 2.039 1.00 0.27 N ATOM 1007 CA ARG B 8 6.988 6.148 3.352 1.00 0.32 C ATOM 1008 C ARG B 8 7.694 4.985 4.038 1.00 0.27 C ATOM 1009 O ARG B 8 8.427 4.237 3.396 1.00 0.26 O ATOM 1010 CB ARG B 8 5.494 5.853 3.238 1.00 0.41 C ATOM 1011 CG ARG B 8 4.617 7.080 3.426 1.00 0.57 C ATOM 1012 CD ARG B 8 4.692 8.019 2.237 1.00 0.57 C ATOM 1013 NE ARG B 8 3.665 9.062 2.303 1.00 0.95 N ATOM 1014 CZ ARG B 8 3.838 10.256 2.879 1.00 0.89 C ATOM 1015 NH1 ARG B 8 4.998 10.569 3.443 1.00 1.74 N ATOM 1016 NH2 ARG B 8 2.845 11.138 2.898 1.00 1.09 N ATOM 0 H ARG B 8 7.527 5.593 1.406 1.00 0.27 H new ATOM 0 HA ARG B 8 7.118 7.049 3.951 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.291 5.418 2.259 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.222 5.104 3.982 1.00 0.41 H new ATOM 0 HG2 ARG B 8 3.584 6.768 3.577 1.00 0.57 H new ATOM 0 HG3 ARG B 8 4.924 7.611 4.327 1.00 0.57 H new ATOM 0 HD2 ARG B 8 5.678 8.482 2.201 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.573 7.449 1.315 1.00 0.57 H new ATOM 0 HE ARG B 8 2.758 8.864 1.881 1.00 0.95 H new ATOM 0 HH11 ARG B 8 5.765 9.897 3.439 1.00 1.74 H new ATOM 0 HH12 ARG B 8 5.122 11.482 3.881 1.00 1.74 H new ATOM 0 HH21 ARG B 8 1.948 10.905 2.472 1.00 1.09 H new ATOM 0 HH22 ARG B 8 2.980 12.048 3.338 1.00 1.09 H new ATOM 1030 N LYS B 9 7.467 4.837 5.335 1.00 0.30 N ATOM 1031 CA LYS B 9 8.086 3.770 6.114 1.00 0.27 C ATOM 1032 C LYS B 9 7.134 2.588 6.225 1.00 0.24 C ATOM 1033 O LYS B 9 5.934 2.737 5.981 1.00 0.26 O ATOM 1034 CB LYS B 9 8.433 4.284 7.513 1.00 0.30 C ATOM 1035 CG LYS B 9 9.313 5.529 7.514 1.00 1.23 C ATOM 1036 CD LYS B 9 10.609 5.315 6.744 1.00 0.97 C ATOM 1037 CE LYS B 9 11.378 4.118 7.272 1.00 0.69 C ATOM 1038 NZ LYS B 9 12.711 3.986 6.632 1.00 0.92 N ATOM 0 H LYS B 9 6.854 5.447 5.875 1.00 0.30 H new ATOM 0 HA LYS B 9 8.998 3.448 5.612 1.00 0.27 H new ATOM 0 HB2 LYS B 9 7.509 4.504 8.048 1.00 0.30 H new ATOM 0 HB3 LYS B 9 8.940 3.492 8.065 1.00 0.30 H new ATOM 0 HG2 LYS B 9 8.764 6.361 7.074 1.00 1.23 H new ATOM 0 HG3 LYS B 9 9.544 5.808 8.542 1.00 1.23 H new ATOM 0 HD2 LYS B 9 10.386 5.168 5.687 1.00 0.97 H new ATOM 0 HD3 LYS B 9 11.229 6.208 6.818 1.00 0.97 H new ATOM 0 HE2 LYS B 9 11.502 4.214 8.351 1.00 0.69 H new ATOM 0 HE3 LYS B 9 10.800 3.210 7.097 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 12.990 2.984 6.614 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 12.667 4.351 5.659 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 13.412 4.530 7.174 1.00 0.92 H new ATOM 1052 N VAL B 10 7.657 1.416 6.584 1.00 0.22 N ATOM 1053 CA VAL B 10 6.812 0.248 6.763 1.00 0.22 C ATOM 1054 C VAL B 10 6.170 0.265 8.153 1.00 0.24 C ATOM 1055 O VAL B 10 5.317 1.106 8.442 1.00 0.39 O ATOM 1056 CB VAL B 10 7.580 -1.089 6.568 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.618 -2.232 6.285 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.628 -0.986 5.470 1.00 0.22 C ATOM 0 H VAL B 10 8.650 1.256 6.754 1.00 0.22 H new ATOM 0 HA VAL B 10 6.044 0.301 5.992 1.00 0.22 H new ATOM 0 HB VAL B 10 8.102 -1.299 7.501 1.00 0.23 H new ATOM 0 HG11 VAL B 10 7.180 -3.156 6.152 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.929 -2.343 7.122 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.054 -2.017 5.377 1.00 0.27 H new ATOM 0 HG21 VAL B 10 9.142 -1.942 5.366 1.00 0.22 H new ATOM 0 HG22 VAL B 10 8.144 -0.730 4.528 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.351 -0.212 5.728 1.00 0.22 H new ATOM 1068 N ASP B 11 6.637 -0.623 9.026 1.00 0.23 N ATOM 1069 CA ASP B 11 6.025 -0.858 10.332 1.00 0.31 C ATOM 1070 C ASP B 11 6.737 -2.013 11.014 1.00 0.27 C ATOM 1071 O ASP B 11 7.573 -1.815 11.894 1.00 0.21 O ATOM 1072 CB ASP B 11 4.530 -1.171 10.166 1.00 0.64 C ATOM 1073 CG ASP B 11 3.892 -1.768 11.399 1.00 0.98 C ATOM 1074 OD1 ASP B 11 3.847 -1.092 12.443 1.00 1.39 O ATOM 1075 OD2 ASP B 11 3.436 -2.928 11.318 1.00 1.66 O ATOM 0 H ASP B 11 7.456 -1.204 8.847 1.00 0.23 H new ATOM 0 HA ASP B 11 6.120 0.037 10.947 1.00 0.31 H new ATOM 0 HB2 ASP B 11 4.003 -0.254 9.903 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.403 -1.861 9.332 1.00 0.64 H new ATOM 1080 N GLU B 12 6.399 -3.218 10.576 1.00 0.40 N ATOM 1081 CA GLU B 12 7.132 -4.428 10.923 1.00 0.54 C ATOM 1082 C GLU B 12 6.827 -5.491 9.901 1.00 0.46 C ATOM 1083 O GLU B 12 7.651 -5.818 9.045 1.00 0.52 O ATOM 1084 CB GLU B 12 6.785 -4.977 12.319 1.00 0.77 C ATOM 1085 CG GLU B 12 5.651 -4.267 13.034 1.00 0.87 C ATOM 1086 CD GLU B 12 5.625 -4.588 14.512 1.00 1.22 C ATOM 1087 OE1 GLU B 12 5.640 -5.786 14.871 1.00 1.57 O ATOM 1088 OE2 GLU B 12 5.608 -3.645 15.326 1.00 1.91 O ATOM 0 H GLU B 12 5.600 -3.385 9.964 1.00 0.40 H new ATOM 0 HA GLU B 12 8.190 -4.165 10.935 1.00 0.54 H new ATOM 0 HB2 GLU B 12 6.527 -6.032 12.222 1.00 0.77 H new ATOM 0 HB3 GLU B 12 7.676 -4.923 12.944 1.00 0.77 H new ATOM 0 HG2 GLU B 12 5.754 -3.190 12.898 1.00 0.87 H new ATOM 0 HG3 GLU B 12 4.701 -4.555 12.583 1.00 0.87 H new ATOM 1095 N LEU B 13 5.613 -5.988 9.975 1.00 0.39 N ATOM 1096 CA LEU B 13 5.185 -7.076 9.131 1.00 0.35 C ATOM 1097 C LEU B 13 4.862 -6.589 7.721 1.00 0.29 C ATOM 1098 O LEU B 13 5.027 -7.333 6.759 1.00 0.40 O ATOM 1099 CB LEU B 13 3.992 -7.794 9.764 1.00 0.40 C ATOM 1100 CG LEU B 13 2.662 -7.028 9.779 1.00 0.53 C ATOM 1101 CD1 LEU B 13 1.506 -7.993 9.979 1.00 0.64 C ATOM 1102 CD2 LEU B 13 2.654 -5.975 10.881 1.00 0.72 C ATOM 0 H LEU B 13 4.899 -5.650 10.620 1.00 0.39 H new ATOM 0 HA LEU B 13 6.005 -7.789 9.042 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.839 -8.734 9.234 1.00 0.40 H new ATOM 0 HB3 LEU B 13 4.252 -8.047 10.792 1.00 0.40 H new ATOM 0 HG LEU B 13 2.548 -6.524 8.819 1.00 0.53 H new ATOM 0 HD11 LEU B 13 0.567 -7.439 9.988 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.492 -8.718 9.165 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.628 -8.516 10.928 1.00 0.64 H new ATOM 0 HD21 LEU B 13 1.701 -5.446 10.871 1.00 0.72 H new ATOM 0 HD22 LEU B 13 2.790 -6.459 11.848 1.00 0.72 H new ATOM 0 HD23 LEU B 13 3.465 -5.266 10.713 1.00 0.72 H new ATOM 1114 N GLY B 14 4.431 -5.336 7.583 1.00 0.25 N ATOM 1115 CA GLY B 14 4.164 -4.823 6.256 1.00 0.24 C ATOM 1116 C GLY B 14 3.248 -3.624 6.234 1.00 0.22 C ATOM 1117 O GLY B 14 3.121 -2.982 5.206 1.00 0.31 O ATOM 0 H GLY B 14 4.266 -4.683 8.349 1.00 0.25 H new ATOM 0 HA2 GLY B 14 5.109 -4.554 5.785 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.722 -5.616 5.653 1.00 0.24 H new ATOM 1121 N ARG B 15 2.605 -3.321 7.353 1.00 0.17 N ATOM 1122 CA ARG B 15 1.678 -2.195 7.410 1.00 0.17 C ATOM 1123 C ARG B 15 2.351 -0.886 6.997 1.00 0.17 C ATOM 1124 O ARG B 15 3.050 -0.264 7.784 1.00 0.22 O ATOM 1125 CB ARG B 15 1.084 -2.061 8.808 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.425 -2.032 8.805 1.00 0.23 C ATOM 1127 CD ARG B 15 -0.989 -1.979 10.210 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.445 -2.110 10.216 1.00 0.42 N ATOM 1129 CZ ARG B 15 -3.156 -2.499 11.274 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.550 -2.827 12.406 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.477 -2.563 11.195 1.00 0.75 N ATOM 0 H ARG B 15 2.706 -3.834 8.229 1.00 0.17 H new ATOM 0 HA ARG B 15 0.876 -2.397 6.700 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.425 -2.893 9.423 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.459 -1.148 9.271 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -0.771 -1.165 8.241 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.805 -2.917 8.294 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.550 -2.777 10.808 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -0.707 -1.037 10.680 1.00 0.25 H new ATOM 0 HE ARG B 15 -2.948 -1.890 9.357 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.533 -2.783 12.472 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -3.101 -3.124 13.212 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -4.949 -2.315 10.325 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -5.022 -2.861 12.004 1.00 0.75 H new ATOM 1145 N VAL B 16 2.129 -0.478 5.758 1.00 0.14 N ATOM 1146 CA VAL B 16 2.721 0.742 5.233 1.00 0.14 C ATOM 1147 C VAL B 16 1.739 1.899 5.385 1.00 0.16 C ATOM 1148 O VAL B 16 0.527 1.720 5.235 1.00 0.16 O ATOM 1149 CB VAL B 16 3.129 0.574 3.750 1.00 0.15 C ATOM 1150 CG1 VAL B 16 1.915 0.336 2.863 1.00 1.04 C ATOM 1151 CG2 VAL B 16 3.923 1.781 3.278 1.00 0.96 C ATOM 0 H VAL B 16 1.539 -0.978 5.093 1.00 0.14 H new ATOM 0 HA VAL B 16 3.624 0.959 5.804 1.00 0.14 H new ATOM 0 HB VAL B 16 3.765 -0.308 3.673 1.00 0.15 H new ATOM 0 HG11 VAL B 16 2.237 0.222 1.828 1.00 1.04 H new ATOM 0 HG12 VAL B 16 1.401 -0.570 3.185 1.00 1.04 H new ATOM 0 HG13 VAL B 16 1.236 1.185 2.940 1.00 1.04 H new ATOM 0 HG21 VAL B 16 4.202 1.647 2.233 1.00 0.96 H new ATOM 0 HG22 VAL B 16 3.314 2.679 3.378 1.00 0.96 H new ATOM 0 HG23 VAL B 16 4.823 1.884 3.884 1.00 0.96 H new ATOM 1161 N VAL B 17 2.260 3.072 5.714 1.00 0.17 N ATOM 1162 CA VAL B 17 1.420 4.233 5.957 1.00 0.17 C ATOM 1163 C VAL B 17 0.950 4.858 4.640 1.00 0.18 C ATOM 1164 O VAL B 17 1.744 5.436 3.895 1.00 0.25 O ATOM 1165 CB VAL B 17 2.164 5.301 6.785 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.251 6.477 7.098 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.729 4.700 8.065 1.00 0.22 C ATOM 0 H VAL B 17 3.260 3.244 5.818 1.00 0.17 H new ATOM 0 HA VAL B 17 0.554 3.886 6.521 1.00 0.17 H new ATOM 0 HB VAL B 17 2.998 5.669 6.188 1.00 0.20 H new ATOM 0 HG11 VAL B 17 1.798 7.217 7.683 1.00 0.23 H new ATOM 0 HG12 VAL B 17 0.909 6.930 6.167 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.391 6.128 7.669 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.249 5.473 8.631 1.00 0.22 H new ATOM 0 HG22 VAL B 17 1.915 4.295 8.667 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.428 3.902 7.815 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.335 4.714 4.351 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.939 5.333 3.178 1.00 0.21 C ATOM 1179 C ILE B 18 -1.137 6.834 3.400 1.00 0.17 C ATOM 1180 O ILE B 18 -1.583 7.248 4.472 1.00 0.18 O ATOM 1181 CB ILE B 18 -2.304 4.688 2.861 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -2.141 3.194 2.580 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -2.966 5.378 1.681 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -1.402 2.882 1.292 1.00 0.55 C ATOM 0 H ILE B 18 -0.985 4.169 4.918 1.00 0.16 H new ATOM 0 HA ILE B 18 -0.262 5.177 2.338 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.946 4.809 3.734 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -1.608 2.735 3.412 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -3.128 2.733 2.541 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -3.927 4.906 1.476 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -3.121 6.431 1.916 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -2.325 5.293 0.803 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -1.329 1.802 1.167 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -1.945 3.309 0.449 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -0.401 3.311 1.334 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.771 7.663 2.402 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.033 9.106 2.423 1.00 0.22 C ATOM 1198 C PRO B 19 -2.470 9.445 2.789 1.00 0.21 C ATOM 1199 O PRO B 19 -3.412 8.777 2.351 1.00 0.18 O ATOM 1200 CB PRO B 19 -0.764 9.526 0.988 1.00 0.26 C ATOM 1201 CG PRO B 19 0.287 8.579 0.529 1.00 0.28 C ATOM 1202 CD PRO B 19 -0.040 7.262 1.186 1.00 0.27 C ATOM 0 HA PRO B 19 -0.420 9.610 3.170 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.663 9.453 0.375 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.423 10.560 0.932 1.00 0.26 H new ATOM 0 HG2 PRO B 19 0.284 8.487 -0.557 1.00 0.28 H new ATOM 0 HG3 PRO B 19 1.280 8.925 0.817 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.650 6.630 0.540 1.00 0.27 H new ATOM 0 HD3 PRO B 19 0.861 6.697 1.426 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.635 10.502 3.571 1.00 0.25 N ATOM 1211 CA ILE B 20 -3.959 10.963 3.966 1.00 0.26 C ATOM 1212 C ILE B 20 -4.780 11.330 2.732 1.00 0.26 C ATOM 1213 O ILE B 20 -5.990 11.122 2.699 1.00 0.25 O ATOM 1214 CB ILE B 20 -3.869 12.178 4.925 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.265 12.662 5.331 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.076 13.311 4.293 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.998 11.707 6.249 1.00 0.82 C ATOM 0 H ILE B 20 -1.866 11.058 3.946 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.453 10.149 4.496 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.346 11.854 5.824 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -5.175 13.629 5.825 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -5.861 12.817 4.432 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.027 14.151 4.985 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.066 12.967 4.068 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.565 13.628 3.372 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.978 12.117 6.493 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -6.121 10.745 5.751 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -5.424 11.570 7.165 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.109 11.831 1.694 1.00 0.28 N ATOM 1230 CA GLU B 21 -4.790 12.223 0.467 1.00 0.30 C ATOM 1231 C GLU B 21 -5.222 10.988 -0.317 1.00 0.26 C ATOM 1232 O GLU B 21 -6.183 11.024 -1.081 1.00 0.26 O ATOM 1233 CB GLU B 21 -3.891 13.095 -0.410 1.00 0.37 C ATOM 1234 CG GLU B 21 -2.822 12.315 -1.156 1.00 0.42 C ATOM 1235 CD GLU B 21 -2.178 13.124 -2.261 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -2.825 14.063 -2.774 1.00 1.35 O ATOM 1237 OE2 GLU B 21 -1.041 12.803 -2.645 1.00 1.18 O ATOM 0 H GLU B 21 -3.099 11.973 1.681 1.00 0.28 H new ATOM 0 HA GLU B 21 -5.670 12.802 0.747 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.510 13.628 -1.132 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.410 13.848 0.214 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.055 11.992 -0.452 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.264 11.414 -1.581 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.539 9.878 -0.074 1.00 0.24 N ATOM 1245 CA LEU B 22 -4.810 8.662 -0.810 1.00 0.22 C ATOM 1246 C LEU B 22 -6.011 7.966 -0.207 1.00 0.20 C ATOM 1247 O LEU B 22 -6.965 7.632 -0.909 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.592 7.745 -0.810 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.475 8.153 -1.765 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.549 6.977 -2.029 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.053 8.694 -3.065 1.00 0.33 C ATOM 0 H LEU B 22 -3.799 9.799 0.623 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.030 8.915 -1.847 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.187 7.704 0.201 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -3.916 6.736 -1.065 1.00 0.23 H new ATOM 0 HG LEU B 22 -1.892 8.948 -1.300 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -0.757 7.284 -2.712 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.109 6.643 -1.090 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.116 6.160 -2.475 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.241 8.980 -3.733 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.661 7.925 -3.541 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -3.672 9.566 -2.853 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.000 7.828 1.111 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.115 7.217 1.813 1.00 0.18 C ATOM 1265 C ARG B 23 -8.342 8.104 1.620 1.00 0.18 C ATOM 1266 O ARG B 23 -9.463 7.621 1.519 1.00 0.19 O ATOM 1267 CB ARG B 23 -6.776 7.039 3.307 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.417 8.337 4.018 1.00 0.27 C ATOM 1269 CD ARG B 23 -7.538 8.814 4.931 1.00 0.64 C ATOM 1270 NE ARG B 23 -7.470 8.198 6.253 1.00 0.66 N ATOM 1271 CZ ARG B 23 -8.346 8.433 7.234 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -9.367 9.260 7.040 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -8.204 7.831 8.407 1.00 1.34 N ATOM 0 H ARG B 23 -5.234 8.130 1.712 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.321 6.225 1.411 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.629 6.584 3.811 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -5.942 6.343 3.400 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.509 8.191 4.604 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -6.199 9.107 3.279 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -7.485 9.898 5.034 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -8.500 8.584 4.473 1.00 0.64 H new ATOM 0 HE ARG B 23 -6.706 7.548 6.439 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -9.486 9.720 6.138 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -10.032 9.435 7.793 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -7.426 7.189 8.560 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -8.872 8.010 9.156 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.091 9.411 1.544 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.101 10.403 1.193 1.00 0.22 C ATOM 1289 C ARG B 24 -9.705 10.117 -0.177 1.00 0.22 C ATOM 1290 O ARG B 24 -10.925 10.125 -0.338 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.451 11.785 1.216 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.242 12.896 0.548 1.00 0.42 C ATOM 1293 CD ARG B 24 -8.749 13.149 -0.871 1.00 0.89 C ATOM 1294 NE ARG B 24 -9.202 14.434 -1.396 1.00 1.40 N ATOM 1295 CZ ARG B 24 -8.992 14.849 -2.644 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -8.411 14.044 -3.529 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -9.364 16.072 -3.007 1.00 2.77 N ATOM 0 H ARG B 24 -7.171 9.812 1.727 1.00 0.20 H new ATOM 0 HA ARG B 24 -9.914 10.361 1.918 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.272 12.065 2.254 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.477 11.716 0.732 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.299 12.631 0.526 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -9.155 13.811 1.134 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -7.660 13.117 -0.885 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -9.100 12.349 -1.523 1.00 0.89 H new ATOM 0 HE ARG B 24 -9.712 15.054 -0.766 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -8.124 13.105 -3.253 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -8.252 14.366 -4.484 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -9.810 16.691 -2.330 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -9.204 16.391 -3.962 1.00 2.77 H new ATOM 1311 N THR B 25 -8.848 9.849 -1.156 1.00 0.23 N ATOM 1312 CA THR B 25 -9.295 9.572 -2.516 1.00 0.24 C ATOM 1313 C THR B 25 -10.194 8.340 -2.557 1.00 0.22 C ATOM 1314 O THR B 25 -11.169 8.281 -3.312 1.00 0.23 O ATOM 1315 CB THR B 25 -8.095 9.349 -3.453 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.253 10.512 -3.452 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.563 9.061 -4.865 1.00 0.29 C ATOM 0 H THR B 25 -7.836 9.818 -1.032 1.00 0.23 H new ATOM 0 HA THR B 25 -9.861 10.440 -2.854 1.00 0.24 H new ATOM 0 HB THR B 25 -7.531 8.490 -3.091 1.00 0.27 H new ATOM 0 HG1 THR B 25 -6.753 10.553 -2.610 1.00 0.31 H new ATOM 0 HG21 THR B 25 -7.698 8.907 -5.511 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.182 8.164 -4.867 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.146 9.905 -5.234 1.00 0.29 H new ATOM 1325 N LEU B 26 -9.883 7.374 -1.708 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.605 6.114 -1.698 1.00 0.19 C ATOM 1327 C LEU B 26 -11.781 6.202 -0.737 1.00 0.18 C ATOM 1328 O LEU B 26 -12.660 5.340 -0.721 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.673 4.987 -1.267 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.203 5.187 -1.634 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.352 4.084 -1.041 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -8.009 5.288 -3.145 1.00 0.24 C ATOM 0 H LEU B 26 -9.135 7.439 -1.017 1.00 0.20 H new ATOM 0 HA LEU B 26 -10.976 5.908 -2.702 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -9.749 4.867 -0.186 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -10.021 4.057 -1.716 1.00 0.19 H new ATOM 0 HG LEU B 26 -7.877 6.135 -1.206 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.309 4.243 -1.313 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.449 4.093 0.045 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.685 3.120 -1.427 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -6.951 5.430 -3.367 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.360 4.371 -3.619 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.577 6.135 -3.529 1.00 0.24 H new ATOM 1344 N GLY B 27 -11.793 7.269 0.048 1.00 0.19 N ATOM 1345 CA GLY B 27 -12.762 7.413 1.114 1.00 0.21 C ATOM 1346 C GLY B 27 -12.639 6.319 2.154 1.00 0.24 C ATOM 1347 O GLY B 27 -13.604 6.001 2.849 1.00 0.34 O ATOM 0 H GLY B 27 -11.139 8.047 -0.037 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -12.630 8.383 1.593 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -13.767 7.399 0.693 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.453 5.737 2.259 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.224 4.669 3.212 1.00 0.23 C ATOM 1353 C ILE B 28 -10.599 5.199 4.481 1.00 0.18 C ATOM 1354 O ILE B 28 -10.100 6.325 4.527 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.294 3.567 2.669 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -8.914 4.143 2.347 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -10.904 2.906 1.445 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -7.816 3.107 2.385 1.00 0.47 C ATOM 0 H ILE B 28 -10.639 5.987 1.697 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.208 4.243 3.406 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.174 2.805 3.439 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -8.940 4.600 1.358 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -8.683 4.935 3.059 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -10.232 2.131 1.077 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -11.862 2.459 1.712 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.057 3.653 0.666 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -6.862 3.579 2.148 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -7.765 2.667 3.381 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.027 2.327 1.654 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.615 4.356 5.492 1.00 0.19 N ATOM 1371 CA ALA B 29 -9.997 4.647 6.763 1.00 0.18 C ATOM 1372 C ALA B 29 -10.089 3.432 7.645 1.00 0.19 C ATOM 1373 O ALA B 29 -10.988 2.615 7.477 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.666 5.830 7.446 1.00 0.22 C ATOM 0 H ALA B 29 -11.063 3.440 5.451 1.00 0.19 H new ATOM 0 HA ALA B 29 -8.953 4.907 6.589 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -10.177 6.023 8.401 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.583 6.712 6.811 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.719 5.604 7.617 1.00 0.22 H new ATOM 1380 N GLU B 30 -9.136 3.326 8.556 1.00 0.20 N ATOM 1381 CA GLU B 30 -9.149 2.363 9.647 1.00 0.22 C ATOM 1382 C GLU B 30 -9.797 1.004 9.332 1.00 0.24 C ATOM 1383 O GLU B 30 -9.128 0.077 8.888 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.803 3.013 10.869 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.973 3.931 10.535 1.00 0.28 C ATOM 1386 CD GLU B 30 -11.595 4.562 11.763 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -11.137 5.646 12.178 1.00 1.11 O ATOM 1388 OE2 GLU B 30 -12.553 3.978 12.313 1.00 1.12 O ATOM 0 H GLU B 30 -8.309 3.923 8.558 1.00 0.20 H new ATOM 0 HA GLU B 30 -8.106 2.111 9.841 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -10.151 2.229 11.541 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -9.049 3.585 11.410 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.631 4.717 9.862 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.734 3.362 10.000 1.00 0.28 H new ATOM 1395 N LYS B 31 -11.094 0.888 9.578 1.00 0.26 N ATOM 1396 CA LYS B 31 -11.791 -0.388 9.490 1.00 0.30 C ATOM 1397 C LYS B 31 -12.230 -0.734 8.062 1.00 0.27 C ATOM 1398 O LYS B 31 -12.949 -1.712 7.857 1.00 0.33 O ATOM 1399 CB LYS B 31 -12.986 -0.383 10.437 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.603 -0.074 11.875 1.00 0.44 C ATOM 1401 CD LYS B 31 -11.669 -1.135 12.435 1.00 0.49 C ATOM 1402 CE LYS B 31 -10.217 -0.676 12.429 1.00 0.50 C ATOM 1403 NZ LYS B 31 -9.297 -1.733 12.924 1.00 0.65 N ATOM 0 H LYS B 31 -11.691 1.671 9.843 1.00 0.26 H new ATOM 0 HA LYS B 31 -11.087 -1.166 9.787 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.712 0.354 10.094 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.477 -1.355 10.399 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -12.120 0.902 11.924 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.502 -0.016 12.489 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -11.968 -1.380 13.454 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -11.763 -2.048 11.847 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -9.931 -0.391 11.416 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -10.115 0.213 13.051 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -8.319 -1.380 12.904 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -9.553 -1.987 13.899 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -9.374 -2.573 12.316 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.814 0.057 7.077 1.00 0.23 N ATOM 1418 CA ASP B 32 -12.167 -0.221 5.685 1.00 0.21 C ATOM 1419 C ASP B 32 -11.196 -1.222 5.077 1.00 0.19 C ATOM 1420 O ASP B 32 -10.229 -1.631 5.722 1.00 0.20 O ATOM 1421 CB ASP B 32 -12.201 1.057 4.842 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.509 1.812 4.985 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -13.689 2.521 5.998 1.00 1.18 O ATOM 1424 OD2 ASP B 32 -14.365 1.704 4.081 1.00 1.37 O ATOM 0 H ASP B 32 -11.238 0.888 7.213 1.00 0.23 H new ATOM 0 HA ASP B 32 -13.169 -0.650 5.683 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.376 1.706 5.138 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -12.045 0.801 3.794 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.471 -1.643 3.855 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.642 -2.633 3.194 1.00 0.19 C ATOM 1431 C ALA B 33 -10.085 -2.133 1.866 1.00 0.19 C ATOM 1432 O ALA B 33 -10.676 -1.277 1.200 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.435 -3.909 2.975 1.00 0.22 C ATOM 0 H ALA B 33 -12.262 -1.314 3.301 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.792 -2.831 3.847 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -10.806 -4.648 2.478 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -11.765 -4.302 3.937 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.304 -3.695 2.353 1.00 0.22 H new ATOM 1439 N LEU B 34 -8.944 -2.688 1.496 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.313 -2.411 0.220 1.00 0.19 C ATOM 1441 C LEU B 34 -8.167 -3.712 -0.552 1.00 0.20 C ATOM 1442 O LEU B 34 -8.052 -4.784 0.042 1.00 0.23 O ATOM 1443 CB LEU B 34 -6.926 -1.782 0.409 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.894 -0.368 0.994 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -7.125 -0.394 2.497 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -5.567 0.304 0.668 1.00 0.85 C ATOM 0 H LEU B 34 -8.427 -3.348 2.077 1.00 0.19 H new ATOM 0 HA LEU B 34 -8.938 -1.706 -0.328 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.341 -2.434 1.058 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.425 -1.763 -0.559 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.701 0.209 0.541 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -7.097 0.623 2.887 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -8.098 -0.837 2.708 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -6.345 -0.987 2.975 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -5.555 1.309 1.089 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -4.750 -0.278 1.095 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -5.445 0.362 -0.414 1.00 0.85 H new ATOM 1458 N GLU B 35 -8.167 -3.611 -1.863 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.976 -4.761 -2.722 1.00 0.20 C ATOM 1460 C GLU B 35 -6.553 -4.723 -3.281 1.00 0.19 C ATOM 1461 O GLU B 35 -6.252 -3.945 -4.189 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.994 -4.742 -3.865 1.00 0.23 C ATOM 1463 CG GLU B 35 -9.623 -6.095 -4.142 1.00 0.78 C ATOM 1464 CD GLU B 35 -10.472 -6.098 -5.402 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -11.560 -5.483 -5.405 1.00 1.40 O ATOM 1466 OE2 GLU B 35 -10.042 -6.701 -6.405 1.00 1.30 O ATOM 0 H GLU B 35 -8.299 -2.732 -2.364 1.00 0.19 H new ATOM 0 HA GLU B 35 -8.123 -5.677 -2.150 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -9.781 -4.027 -3.627 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.504 -4.386 -4.771 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -8.837 -6.844 -4.236 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -10.240 -6.385 -3.292 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.680 -5.540 -2.714 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.264 -5.529 -3.058 1.00 0.22 C ATOM 1475 C ILE B 36 -3.955 -6.487 -4.206 1.00 0.24 C ATOM 1476 O ILE B 36 -4.263 -7.679 -4.148 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.380 -5.890 -1.831 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.175 -4.678 -0.919 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -2.028 -6.445 -2.259 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.447 -4.159 -0.297 1.00 0.25 C ATOM 0 H ILE B 36 -5.930 -6.228 -2.004 1.00 0.20 H new ATOM 0 HA ILE B 36 -4.029 -4.514 -3.378 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.911 -6.663 -1.275 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.477 -4.947 -0.126 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.710 -3.877 -1.494 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.437 -6.686 -1.375 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -2.176 -7.347 -2.853 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.501 -5.700 -2.855 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.219 -3.301 0.335 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.140 -3.857 -1.083 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -4.903 -4.943 0.307 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.344 -5.946 -5.244 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.814 -6.729 -6.338 1.00 0.24 C ATOM 1494 C TYR B 37 -1.298 -6.585 -6.329 1.00 0.18 C ATOM 1495 O TYR B 37 -0.754 -5.807 -5.543 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.338 -6.259 -7.697 1.00 0.31 C ATOM 1497 CG TYR B 37 -4.814 -5.932 -7.753 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -5.281 -4.664 -7.423 1.00 2.07 C ATOM 1499 CD2 TYR B 37 -5.737 -6.885 -8.155 1.00 1.84 C ATOM 1500 CE1 TYR B 37 -6.626 -4.360 -7.490 1.00 3.02 C ATOM 1501 CE2 TYR B 37 -7.083 -6.589 -8.227 1.00 2.78 C ATOM 1502 CZ TYR B 37 -7.523 -5.327 -7.892 1.00 3.21 C ATOM 1503 OH TYR B 37 -8.864 -5.031 -7.966 1.00 4.28 O ATOM 0 H TYR B 37 -3.202 -4.941 -5.349 1.00 0.24 H new ATOM 0 HA TYR B 37 -3.128 -7.764 -6.200 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -2.777 -5.374 -7.996 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.128 -7.034 -8.435 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -4.580 -3.905 -7.109 1.00 2.07 H new ATOM 0 HD2 TYR B 37 -5.397 -7.876 -8.416 1.00 1.84 H new ATOM 0 HE1 TYR B 37 -6.973 -3.371 -7.229 1.00 3.02 H new ATOM 0 HE2 TYR B 37 -7.788 -7.343 -8.544 1.00 2.78 H new ATOM 0 HH TYR B 37 -9.386 -5.792 -7.636 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.616 -7.307 -7.196 1.00 0.21 N ATOM 1514 CA VAL B 38 0.823 -7.168 -7.311 1.00 0.20 C ATOM 1515 C VAL B 38 1.207 -6.909 -8.761 1.00 0.20 C ATOM 1516 O VAL B 38 0.580 -7.437 -9.680 1.00 0.26 O ATOM 1517 CB VAL B 38 1.565 -8.415 -6.780 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.295 -9.636 -7.646 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.054 -8.127 -6.686 1.00 0.21 C ATOM 0 H VAL B 38 -1.031 -7.992 -7.828 1.00 0.21 H new ATOM 0 HA VAL B 38 1.124 -6.319 -6.697 1.00 0.20 H new ATOM 0 HB VAL B 38 1.188 -8.642 -5.783 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.833 -10.494 -7.243 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.226 -9.848 -7.653 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.633 -9.442 -8.664 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.572 -9.010 -6.311 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.438 -7.873 -7.674 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.221 -7.292 -6.006 1.00 0.21 H new ATOM 1529 N ASP B 39 2.210 -6.071 -8.967 1.00 0.18 N ATOM 1530 CA ASP B 39 2.680 -5.782 -10.312 1.00 0.22 C ATOM 1531 C ASP B 39 4.195 -5.866 -10.379 1.00 0.26 C ATOM 1532 O ASP B 39 4.884 -4.847 -10.367 1.00 0.29 O ATOM 1533 CB ASP B 39 2.201 -4.410 -10.780 1.00 0.24 C ATOM 1534 CG ASP B 39 2.478 -4.183 -12.251 1.00 0.39 C ATOM 1535 OD1 ASP B 39 1.649 -4.608 -13.085 1.00 1.12 O ATOM 1536 OD2 ASP B 39 3.518 -3.582 -12.583 1.00 1.07 O ATOM 0 H ASP B 39 2.712 -5.582 -8.226 1.00 0.18 H new ATOM 0 HA ASP B 39 2.260 -6.533 -10.981 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.131 -4.317 -10.594 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.695 -3.635 -10.194 1.00 0.24 H new ATOM 1541 N ASP B 40 4.679 -7.104 -10.414 1.00 0.30 N ATOM 1542 CA ASP B 40 6.107 -7.435 -10.549 1.00 0.36 C ATOM 1543 C ASP B 40 6.976 -6.794 -9.464 1.00 0.39 C ATOM 1544 O ASP B 40 7.422 -7.464 -8.535 1.00 0.46 O ATOM 1545 CB ASP B 40 6.635 -7.037 -11.930 1.00 0.48 C ATOM 1546 CG ASP B 40 7.938 -7.736 -12.263 1.00 0.92 C ATOM 1547 OD1 ASP B 40 7.908 -8.930 -12.622 1.00 1.64 O ATOM 1548 OD2 ASP B 40 9.002 -7.094 -12.171 1.00 1.59 O ATOM 0 H ASP B 40 4.082 -7.928 -10.348 1.00 0.30 H new ATOM 0 HA ASP B 40 6.176 -8.516 -10.428 1.00 0.36 H new ATOM 0 HB2 ASP B 40 5.889 -7.280 -12.687 1.00 0.48 H new ATOM 0 HB3 ASP B 40 6.784 -5.958 -11.964 1.00 0.48 H new ATOM 1553 N GLU B 41 7.224 -5.501 -9.604 1.00 0.45 N ATOM 1554 CA GLU B 41 8.109 -4.773 -8.706 1.00 0.58 C ATOM 1555 C GLU B 41 7.308 -3.935 -7.719 1.00 0.41 C ATOM 1556 O GLU B 41 7.783 -3.613 -6.630 1.00 0.46 O ATOM 1557 CB GLU B 41 9.002 -3.840 -9.517 1.00 0.87 C ATOM 1558 CG GLU B 41 9.595 -4.487 -10.749 1.00 1.33 C ATOM 1559 CD GLU B 41 10.340 -3.497 -11.611 1.00 1.98 C ATOM 1560 OE1 GLU B 41 11.540 -3.263 -11.354 1.00 2.10 O ATOM 1561 OE2 GLU B 41 9.729 -2.944 -12.551 1.00 2.81 O ATOM 0 H GLU B 41 6.818 -4.926 -10.343 1.00 0.45 H new ATOM 0 HA GLU B 41 8.710 -5.499 -8.158 1.00 0.58 H new ATOM 0 HB2 GLU B 41 8.422 -2.967 -9.819 1.00 0.87 H new ATOM 0 HB3 GLU B 41 9.811 -3.481 -8.881 1.00 0.87 H new ATOM 0 HG2 GLU B 41 10.273 -5.286 -10.447 1.00 1.33 H new ATOM 0 HG3 GLU B 41 8.799 -4.948 -11.334 1.00 1.33 H new ATOM 1568 N LYS B 42 6.097 -3.574 -8.117 1.00 0.34 N ATOM 1569 CA LYS B 42 5.286 -2.661 -7.328 1.00 0.31 C ATOM 1570 C LYS B 42 4.083 -3.370 -6.737 1.00 0.24 C ATOM 1571 O LYS B 42 3.665 -4.427 -7.215 1.00 0.27 O ATOM 1572 CB LYS B 42 4.796 -1.482 -8.169 1.00 0.44 C ATOM 1573 CG LYS B 42 5.878 -0.778 -8.969 1.00 0.84 C ATOM 1574 CD LYS B 42 5.768 -1.115 -10.447 1.00 0.92 C ATOM 1575 CE LYS B 42 4.421 -0.685 -11.014 1.00 0.48 C ATOM 1576 NZ LYS B 42 4.258 -1.091 -12.433 1.00 0.98 N ATOM 0 H LYS B 42 5.656 -3.898 -8.978 1.00 0.34 H new ATOM 0 HA LYS B 42 5.922 -2.290 -6.524 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.029 -1.838 -8.857 1.00 0.44 H new ATOM 0 HB3 LYS B 42 4.321 -0.756 -7.509 1.00 0.44 H new ATOM 0 HG2 LYS B 42 5.794 0.300 -8.831 1.00 0.84 H new ATOM 0 HG3 LYS B 42 6.860 -1.072 -8.597 1.00 0.84 H new ATOM 0 HD2 LYS B 42 6.570 -0.621 -10.995 1.00 0.92 H new ATOM 0 HD3 LYS B 42 5.899 -2.188 -10.588 1.00 0.92 H new ATOM 0 HE2 LYS B 42 3.621 -1.123 -10.418 1.00 0.48 H new ATOM 0 HE3 LYS B 42 4.323 0.398 -10.933 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 3.440 -0.598 -12.843 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 5.115 -0.842 -12.966 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 4.105 -2.118 -12.485 1.00 0.98 H new ATOM 1590 N ILE B 43 3.524 -2.772 -5.703 1.00 0.20 N ATOM 1591 CA ILE B 43 2.304 -3.262 -5.104 1.00 0.19 C ATOM 1592 C ILE B 43 1.148 -2.352 -5.497 1.00 0.18 C ATOM 1593 O ILE B 43 1.291 -1.127 -5.518 1.00 0.20 O ATOM 1594 CB ILE B 43 2.418 -3.327 -3.572 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.618 -4.190 -3.176 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.131 -3.878 -2.976 1.00 0.28 C ATOM 1597 CD1 ILE B 43 3.961 -4.118 -1.706 1.00 0.42 C ATOM 0 H ILE B 43 3.903 -1.936 -5.258 1.00 0.20 H new ATOM 0 HA ILE B 43 2.124 -4.273 -5.470 1.00 0.19 H new ATOM 0 HB ILE B 43 2.572 -2.322 -3.179 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.412 -5.227 -3.441 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.486 -3.879 -3.758 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.222 -3.920 -1.891 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.298 -3.229 -3.246 1.00 0.28 H new ATOM 0 HG23 ILE B 43 0.950 -4.880 -3.364 1.00 0.28 H new ATOM 0 HD11 ILE B 43 4.821 -4.755 -1.501 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.200 -3.089 -1.438 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.109 -4.458 -1.117 1.00 0.42 H new ATOM 1609 N ILE B 44 0.016 -2.954 -5.818 1.00 0.17 N ATOM 1610 CA ILE B 44 -1.136 -2.214 -6.308 1.00 0.17 C ATOM 1611 C ILE B 44 -2.270 -2.318 -5.303 1.00 0.18 C ATOM 1612 O ILE B 44 -2.812 -3.390 -5.102 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.637 -2.767 -7.661 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.466 -3.044 -8.613 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.620 -1.795 -8.295 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.367 -1.824 -8.942 1.00 0.25 C ATOM 0 H ILE B 44 -0.131 -3.961 -5.748 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.827 -1.178 -6.444 1.00 0.17 H new ATOM 0 HB ILE B 44 -2.147 -3.712 -7.474 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.179 -3.801 -8.167 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.857 -3.464 -9.540 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.965 -2.196 -9.248 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.472 -1.654 -7.630 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -2.128 -0.837 -8.462 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.173 -2.106 -9.620 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.262 -1.072 -9.419 1.00 0.25 H new ATOM 0 HD13 ILE B 44 0.790 -1.414 -8.025 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.634 -1.227 -4.665 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.685 -1.289 -3.664 1.00 0.20 C ATOM 1630 C LEU B 45 -4.847 -0.407 -4.069 1.00 0.21 C ATOM 1631 O LEU B 45 -4.750 0.819 -4.069 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.190 -0.881 -2.274 1.00 0.36 C ATOM 1633 CG LEU B 45 -1.807 -1.402 -1.871 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -0.704 -0.576 -2.512 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.660 -1.398 -0.361 1.00 1.22 C ATOM 0 H LEU B 45 -2.230 -0.303 -4.814 1.00 0.19 H new ATOM 0 HA LEU B 45 -4.010 -2.328 -3.607 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -3.175 0.208 -2.221 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.915 -1.226 -1.537 1.00 0.36 H new ATOM 0 HG LEU B 45 -1.714 -2.427 -2.230 1.00 0.43 H new ATOM 0 HD11 LEU B 45 0.267 -0.968 -2.209 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -0.794 -0.629 -3.597 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -0.793 0.462 -2.190 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.672 -1.771 -0.091 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.779 -0.381 0.013 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -2.423 -2.039 0.081 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.932 -1.043 -4.441 1.00 0.20 N ATOM 1648 CA LYS B 46 -7.170 -0.355 -4.741 1.00 0.25 C ATOM 1649 C LYS B 46 -8.040 -0.389 -3.500 1.00 0.29 C ATOM 1650 O LYS B 46 -7.748 -1.121 -2.568 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.869 -1.062 -5.909 1.00 0.31 C ATOM 1652 CG LYS B 46 -9.131 -0.384 -6.405 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.884 -1.291 -7.356 1.00 0.65 C ATOM 1654 CE LYS B 46 -10.493 -2.469 -6.609 1.00 0.97 C ATOM 1655 NZ LYS B 46 -11.251 -3.382 -7.504 1.00 1.22 N ATOM 0 H LYS B 46 -5.984 -2.056 -4.545 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.982 0.680 -5.026 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -7.167 -1.141 -6.739 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -8.117 -2.078 -5.603 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.768 -0.126 -5.559 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.876 0.548 -6.908 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.670 -0.727 -7.858 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -9.209 -1.655 -8.130 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -9.700 -3.028 -6.112 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -11.157 -2.096 -5.829 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -11.958 -3.905 -6.948 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -11.731 -2.826 -8.240 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -10.595 -4.054 -7.950 1.00 1.22 H new ATOM 1669 N LYS B 47 -9.065 0.427 -3.457 1.00 0.23 N ATOM 1670 CA LYS B 47 -10.081 0.278 -2.426 1.00 0.25 C ATOM 1671 C LYS B 47 -10.884 -0.986 -2.708 1.00 0.26 C ATOM 1672 O LYS B 47 -11.180 -1.282 -3.866 1.00 0.28 O ATOM 1673 CB LYS B 47 -11.018 1.488 -2.393 1.00 0.31 C ATOM 1674 CG LYS B 47 -12.164 1.324 -1.405 1.00 1.18 C ATOM 1675 CD LYS B 47 -13.198 2.425 -1.534 1.00 1.15 C ATOM 1676 CE LYS B 47 -14.345 2.211 -0.559 1.00 2.19 C ATOM 1677 NZ LYS B 47 -15.353 3.297 -0.634 1.00 2.50 N ATOM 0 H LYS B 47 -9.223 1.193 -4.111 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.590 0.207 -1.455 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -10.445 2.378 -2.132 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -11.426 1.653 -3.390 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -12.643 0.358 -1.565 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -11.767 1.319 -0.390 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -12.731 3.392 -1.345 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -13.582 2.450 -2.554 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -14.826 1.256 -0.770 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -13.951 2.152 0.456 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -16.116 3.110 0.047 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -14.901 4.206 -0.407 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -15.749 3.337 -1.595 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.209 -1.749 -1.672 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.054 -2.915 -1.850 1.00 0.40 C ATOM 1693 C TYR B 48 -13.405 -2.465 -2.386 1.00 0.51 C ATOM 1694 O TYR B 48 -13.865 -1.370 -2.059 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.240 -3.666 -0.528 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.008 -4.961 -0.678 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -12.489 -6.014 -1.421 1.00 2.03 C ATOM 1698 CD2 TYR B 48 -14.255 -5.126 -0.089 1.00 1.59 C ATOM 1699 CE1 TYR B 48 -13.190 -7.195 -1.571 1.00 2.67 C ATOM 1700 CE2 TYR B 48 -14.962 -6.304 -0.237 1.00 2.26 C ATOM 1701 CZ TYR B 48 -14.426 -7.336 -0.976 1.00 2.61 C ATOM 1702 OH TYR B 48 -15.133 -8.510 -1.125 1.00 3.39 O ATOM 0 H TYR B 48 -10.903 -1.582 -0.713 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.578 -3.595 -2.557 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -11.261 -3.880 -0.099 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -12.763 -3.021 0.178 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -11.522 -5.908 -1.889 1.00 2.03 H new ATOM 0 HD2 TYR B 48 -14.679 -4.321 0.494 1.00 1.59 H new ATOM 0 HE1 TYR B 48 -12.772 -8.004 -2.152 1.00 2.67 H new ATOM 0 HE2 TYR B 48 -15.932 -6.415 0.225 1.00 2.26 H new ATOM 0 HH TYR B 48 -15.983 -8.444 -0.641 1.00 3.39 H new