USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 878 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 Single : A 4 THR OG1 : rot 77:sc= -0.66! USER MOD Single : A 20 LYS NZ :NH3+ -169:sc= -0.0149 (180deg=-0.139) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 2.88 (180deg=2.6) USER MOD Single : A 48 LYS NZ :NH3+ 128:sc= 1.2 (180deg=0.528) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 49:sc= 0.317 USER MOD Single : B 20 LYS NZ :NH3+ -173:sc=-0.00647 (180deg=-0.0718) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 LYS NZ :NH3+ -158:sc= 3.14 (180deg=2.35) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 3 3.793 -6.880 9.501 1.00 0.50 N ATOM 43 CA ALA A 3 2.439 -6.810 10.045 1.00 0.32 C ATOM 44 C ALA A 3 2.311 -5.658 11.027 1.00 0.37 C ATOM 45 O ALA A 3 2.426 -5.829 12.240 1.00 0.72 O ATOM 46 CB ALA A 3 2.010 -8.116 10.685 1.00 0.44 C ATOM 0 HA ALA A 3 1.766 -6.628 9.207 1.00 0.32 H new ATOM 0 HB1 ALA A 3 0.997 -8.015 11.075 1.00 0.44 H new ATOM 0 HB2 ALA A 3 2.034 -8.911 9.940 1.00 0.44 H new ATOM 0 HB3 ALA A 3 2.690 -8.362 11.501 1.00 0.44 H new ATOM 52 N THR A 4 2.097 -4.476 10.481 1.00 0.23 N ATOM 53 CA THR A 4 2.027 -3.273 11.277 1.00 0.26 C ATOM 54 C THR A 4 0.594 -2.924 11.661 1.00 0.27 C ATOM 55 O THR A 4 0.342 -2.450 12.770 1.00 0.41 O ATOM 56 CB THR A 4 2.699 -2.112 10.532 1.00 0.26 C ATOM 57 OG1 THR A 4 2.254 -2.092 9.170 1.00 0.23 O ATOM 58 CG2 THR A 4 4.211 -2.257 10.547 1.00 0.27 C ATOM 0 H THR A 4 1.968 -4.327 9.480 1.00 0.23 H new ATOM 0 HA THR A 4 2.565 -3.454 12.207 1.00 0.26 H new ATOM 0 HB THR A 4 2.426 -1.185 11.036 1.00 0.26 H new ATOM 0 HG1 THR A 4 1.348 -1.720 9.127 1.00 0.23 H new ATOM 0 HG21 THR A 4 4.662 -1.421 10.012 1.00 0.27 H new ATOM 0 HG22 THR A 4 4.566 -2.262 11.578 1.00 0.27 H new ATOM 0 HG23 THR A 4 4.492 -3.192 10.062 1.00 0.27 H new ATOM 66 N GLY A 5 -0.333 -3.186 10.752 1.00 0.21 N ATOM 67 CA GLY A 5 -1.739 -2.970 11.036 1.00 0.24 C ATOM 68 C GLY A 5 -2.059 -1.521 11.353 1.00 0.25 C ATOM 69 O GLY A 5 -2.706 -1.223 12.360 1.00 0.32 O ATOM 0 H GLY A 5 -0.137 -3.546 9.818 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -2.331 -3.289 10.178 1.00 0.24 H new ATOM 0 HA3 GLY A 5 -2.035 -3.595 11.878 1.00 0.24 H new ATOM 73 N ILE A 6 -1.590 -0.623 10.505 1.00 0.21 N ATOM 74 CA ILE A 6 -1.906 0.789 10.632 1.00 0.22 C ATOM 75 C ILE A 6 -2.863 1.194 9.521 1.00 0.19 C ATOM 76 O ILE A 6 -2.500 1.201 8.355 1.00 0.17 O ATOM 77 CB ILE A 6 -0.630 1.680 10.614 1.00 0.23 C ATOM 78 CG1 ILE A 6 -0.972 3.138 10.279 1.00 0.26 C ATOM 79 CG2 ILE A 6 0.403 1.142 9.637 1.00 0.20 C ATOM 80 CD1 ILE A 6 -1.854 3.822 11.300 1.00 0.31 C ATOM 0 H ILE A 6 -0.985 -0.849 9.716 1.00 0.21 H new ATOM 0 HA ILE A 6 -2.383 0.945 11.600 1.00 0.22 H new ATOM 0 HB ILE A 6 -0.202 1.652 11.616 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -0.045 3.703 10.181 1.00 0.26 H new ATOM 0 HG13 ILE A 6 -1.468 3.169 9.309 1.00 0.26 H new ATOM 0 HG21 ILE A 6 1.283 1.785 9.647 1.00 0.20 H new ATOM 0 HG22 ILE A 6 0.689 0.132 9.930 1.00 0.20 H new ATOM 0 HG23 ILE A 6 -0.021 1.123 8.633 1.00 0.20 H new ATOM 0 HD11 ILE A 6 -2.046 4.848 10.986 1.00 0.31 H new ATOM 0 HD12 ILE A 6 -2.799 3.285 11.383 1.00 0.31 H new ATOM 0 HD13 ILE A 6 -1.353 3.827 12.268 1.00 0.31 H new ATOM 92 N VAL A 7 -4.090 1.502 9.890 1.00 0.24 N ATOM 93 CA VAL A 7 -5.097 1.867 8.913 1.00 0.22 C ATOM 94 C VAL A 7 -4.975 3.336 8.525 1.00 0.23 C ATOM 95 O VAL A 7 -4.836 4.217 9.381 1.00 0.28 O ATOM 96 CB VAL A 7 -6.521 1.551 9.410 1.00 0.23 C ATOM 97 CG1 VAL A 7 -7.566 2.195 8.507 1.00 0.24 C ATOM 98 CG2 VAL A 7 -6.717 0.042 9.472 1.00 0.23 C ATOM 0 H VAL A 7 -4.414 1.507 10.857 1.00 0.24 H new ATOM 0 HA VAL A 7 -4.918 1.260 8.025 1.00 0.22 H new ATOM 0 HB VAL A 7 -6.646 1.966 10.410 1.00 0.23 H new ATOM 0 HG11 VAL A 7 -8.563 1.958 8.878 1.00 0.24 H new ATOM 0 HG12 VAL A 7 -7.428 3.276 8.504 1.00 0.24 H new ATOM 0 HG13 VAL A 7 -7.456 1.812 7.492 1.00 0.24 H new ATOM 0 HG21 VAL A 7 -7.725 -0.180 9.824 1.00 0.23 H new ATOM 0 HG22 VAL A 7 -6.577 -0.384 8.479 1.00 0.23 H new ATOM 0 HG23 VAL A 7 -5.990 -0.391 10.158 1.00 0.23 H new ATOM 108 N ARG A 8 -5.033 3.586 7.226 1.00 0.22 N ATOM 109 CA ARG A 8 -4.909 4.897 6.641 1.00 0.25 C ATOM 110 C ARG A 8 -6.130 5.109 5.756 1.00 0.23 C ATOM 111 O ARG A 8 -6.258 4.467 4.713 1.00 0.26 O ATOM 112 CB ARG A 8 -3.613 4.953 5.798 1.00 0.26 C ATOM 113 CG ARG A 8 -3.652 5.854 4.552 1.00 0.27 C ATOM 114 CD ARG A 8 -4.017 7.278 4.895 1.00 0.31 C ATOM 115 NE ARG A 8 -3.833 8.204 3.784 1.00 1.12 N ATOM 116 CZ ARG A 8 -3.698 9.519 3.953 1.00 1.16 C ATOM 117 NH1 ARG A 8 -3.657 10.035 5.176 1.00 0.64 N ATOM 118 NH2 ARG A 8 -3.623 10.323 2.897 1.00 1.99 N ATOM 0 H ARG A 8 -5.173 2.851 6.533 1.00 0.22 H new ATOM 0 HA ARG A 8 -4.856 5.674 7.403 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -2.801 5.292 6.441 1.00 0.26 H new ATOM 0 HB3 ARG A 8 -3.367 3.940 5.481 1.00 0.26 H new ATOM 0 HG2 ARG A 8 -2.679 5.837 4.062 1.00 0.27 H new ATOM 0 HG3 ARG A 8 -4.374 5.456 3.839 1.00 0.27 H new ATOM 0 HD2 ARG A 8 -5.057 7.311 5.218 1.00 0.31 H new ATOM 0 HD3 ARG A 8 -3.411 7.608 5.738 1.00 0.31 H new ATOM 0 HE ARG A 8 -3.806 7.829 2.836 1.00 1.12 H new ATOM 0 HH11 ARG A 8 -3.729 9.424 5.990 1.00 0.64 H new ATOM 0 HH12 ARG A 8 -3.554 11.042 5.301 1.00 0.64 H new ATOM 0 HH21 ARG A 8 -3.669 9.934 1.955 1.00 1.99 H new ATOM 0 HH22 ARG A 8 -3.520 11.329 3.028 1.00 1.99 H new ATOM 132 N ARG A 9 -7.048 5.956 6.175 1.00 0.19 N ATOM 133 CA ARG A 9 -8.181 6.261 5.326 1.00 0.18 C ATOM 134 C ARG A 9 -7.727 7.238 4.278 1.00 0.20 C ATOM 135 O ARG A 9 -7.591 8.419 4.578 1.00 0.22 O ATOM 136 CB ARG A 9 -9.339 6.857 6.114 1.00 0.19 C ATOM 137 CG ARG A 9 -10.698 6.538 5.525 1.00 0.28 C ATOM 138 CD ARG A 9 -11.598 5.932 6.584 1.00 0.62 C ATOM 139 NE ARG A 9 -12.867 5.457 6.046 1.00 1.45 N ATOM 140 CZ ARG A 9 -13.902 5.095 6.797 1.00 1.80 C ATOM 141 NH1 ARG A 9 -13.860 5.263 8.111 1.00 1.59 N ATOM 142 NH2 ARG A 9 -14.986 4.587 6.226 1.00 2.80 N ATOM 0 H ARG A 9 -7.035 6.435 7.075 1.00 0.19 H new ATOM 0 HA ARG A 9 -8.541 5.337 4.874 1.00 0.18 H new ATOM 0 HB2 ARG A 9 -9.300 6.487 7.138 1.00 0.19 H new ATOM 0 HB3 ARG A 9 -9.217 7.939 6.161 1.00 0.19 H new ATOM 0 HG2 ARG A 9 -11.152 7.445 5.127 1.00 0.28 H new ATOM 0 HG3 ARG A 9 -10.588 5.845 4.691 1.00 0.28 H new ATOM 0 HD2 ARG A 9 -11.079 5.102 7.063 1.00 0.62 H new ATOM 0 HD3 ARG A 9 -11.792 6.675 7.357 1.00 0.62 H new ATOM 0 HE ARG A 9 -12.966 5.399 5.033 1.00 1.45 H new ATOM 0 HH11 ARG A 9 -13.033 5.671 8.547 1.00 1.59 H new ATOM 0 HH12 ARG A 9 -14.655 4.985 8.686 1.00 1.59 H new ATOM 0 HH21 ARG A 9 -15.024 4.475 5.213 1.00 2.80 H new ATOM 0 HH22 ARG A 9 -15.782 4.308 6.800 1.00 2.80 H new ATOM 156 N ILE A 10 -7.498 6.700 3.074 1.00 0.21 N ATOM 157 CA ILE A 10 -7.031 7.437 1.887 1.00 0.24 C ATOM 158 C ILE A 10 -7.041 8.966 2.040 1.00 0.29 C ATOM 159 O ILE A 10 -6.226 9.500 2.775 1.00 0.33 O ATOM 160 CB ILE A 10 -7.832 7.011 0.628 1.00 0.22 C ATOM 161 CG1 ILE A 10 -9.294 6.652 0.975 1.00 0.21 C ATOM 162 CG2 ILE A 10 -7.147 5.827 -0.020 1.00 0.21 C ATOM 163 CD1 ILE A 10 -9.970 7.617 1.924 1.00 0.22 C ATOM 0 H ILE A 10 -7.637 5.706 2.890 1.00 0.21 H new ATOM 0 HA ILE A 10 -5.983 7.162 1.770 1.00 0.24 H new ATOM 0 HB ILE A 10 -7.857 7.853 -0.064 1.00 0.22 H new ATOM 0 HG12 ILE A 10 -9.872 6.605 0.052 1.00 0.21 H new ATOM 0 HG13 ILE A 10 -9.315 5.655 1.415 1.00 0.21 H new ATOM 0 HG21 ILE A 10 -7.706 5.523 -0.905 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -6.134 6.106 -0.308 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -7.108 4.998 0.686 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -10.992 7.287 2.112 1.00 0.22 H new ATOM 0 HD12 ILE A 10 -9.420 7.648 2.865 1.00 0.22 H new ATOM 0 HD13 ILE A 10 -9.986 8.613 1.480 1.00 0.22 H new ATOM 175 N ASP A 11 -7.955 9.644 1.345 1.00 0.30 N ATOM 176 CA ASP A 11 -8.127 11.093 1.424 1.00 0.36 C ATOM 177 C ASP A 11 -8.843 11.528 0.164 1.00 0.36 C ATOM 178 O ASP A 11 -9.336 10.678 -0.566 1.00 0.36 O ATOM 179 CB ASP A 11 -6.792 11.859 1.571 1.00 0.37 C ATOM 180 CG ASP A 11 -5.950 11.911 0.306 1.00 0.34 C ATOM 181 OD1 ASP A 11 -5.246 10.926 -0.011 1.00 1.12 O ATOM 182 OD2 ASP A 11 -5.969 12.957 -0.366 1.00 1.13 O ATOM 0 H ASP A 11 -8.606 9.194 0.702 1.00 0.30 H new ATOM 0 HA ASP A 11 -8.702 11.329 2.320 1.00 0.36 H new ATOM 0 HB2 ASP A 11 -7.007 12.879 1.891 1.00 0.37 H new ATOM 0 HB3 ASP A 11 -6.206 11.393 2.363 1.00 0.37 H new ATOM 187 N ASP A 12 -8.889 12.823 -0.103 1.00 0.41 N ATOM 188 CA ASP A 12 -9.591 13.333 -1.276 1.00 0.43 C ATOM 189 C ASP A 12 -8.884 12.907 -2.562 1.00 0.37 C ATOM 190 O ASP A 12 -9.491 12.854 -3.632 1.00 0.50 O ATOM 191 CB ASP A 12 -9.697 14.856 -1.212 1.00 0.54 C ATOM 192 CG ASP A 12 -10.474 15.433 -2.379 1.00 1.38 C ATOM 193 OD1 ASP A 12 -11.690 15.155 -2.485 1.00 2.26 O ATOM 194 OD2 ASP A 12 -9.878 16.182 -3.185 1.00 1.98 O ATOM 0 H ASP A 12 -8.451 13.541 0.473 1.00 0.41 H new ATOM 0 HA ASP A 12 -10.595 12.910 -1.281 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -10.181 15.144 -0.279 1.00 0.54 H new ATOM 0 HB3 ASP A 12 -8.696 15.286 -1.198 1.00 0.54 H new ATOM 199 N LEU A 13 -7.602 12.601 -2.447 1.00 0.32 N ATOM 200 CA LEU A 13 -6.816 12.138 -3.575 1.00 0.29 C ATOM 201 C LEU A 13 -6.781 10.616 -3.587 1.00 0.24 C ATOM 202 O LEU A 13 -7.247 9.987 -4.538 1.00 0.26 O ATOM 203 CB LEU A 13 -5.398 12.717 -3.511 1.00 0.32 C ATOM 204 CG LEU A 13 -4.596 12.671 -4.821 1.00 0.40 C ATOM 205 CD1 LEU A 13 -4.184 11.250 -5.168 1.00 0.36 C ATOM 206 CD2 LEU A 13 -5.403 13.285 -5.957 1.00 0.53 C ATOM 0 H LEU A 13 -7.080 12.667 -1.573 1.00 0.32 H new ATOM 0 HA LEU A 13 -7.279 12.483 -4.500 1.00 0.29 H new ATOM 0 HB2 LEU A 13 -5.464 13.755 -3.184 1.00 0.32 H new ATOM 0 HB3 LEU A 13 -4.840 12.177 -2.746 1.00 0.32 H new ATOM 0 HG LEU A 13 -3.687 13.255 -4.679 1.00 0.40 H new ATOM 0 HD11 LEU A 13 -3.619 11.252 -6.100 1.00 0.36 H new ATOM 0 HD12 LEU A 13 -3.564 10.845 -4.368 1.00 0.36 H new ATOM 0 HD13 LEU A 13 -5.074 10.632 -5.285 1.00 0.36 H new ATOM 0 HD21 LEU A 13 -4.822 13.245 -6.879 1.00 0.53 H new ATOM 0 HD22 LEU A 13 -6.330 12.727 -6.088 1.00 0.53 H new ATOM 0 HD23 LEU A 13 -5.635 14.323 -5.719 1.00 0.53 H new ATOM 218 N GLY A 14 -6.229 10.024 -2.533 1.00 0.21 N ATOM 219 CA GLY A 14 -6.193 8.584 -2.454 1.00 0.19 C ATOM 220 C GLY A 14 -4.841 8.018 -2.064 1.00 0.19 C ATOM 221 O GLY A 14 -4.570 6.854 -2.331 1.00 0.22 O ATOM 0 H GLY A 14 -5.811 10.514 -1.742 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.936 8.252 -1.729 1.00 0.19 H new ATOM 0 HA3 GLY A 14 -6.483 8.171 -3.420 1.00 0.19 H new ATOM 225 N ARG A 15 -3.976 8.801 -1.428 1.00 0.19 N ATOM 226 CA ARG A 15 -2.678 8.250 -1.037 1.00 0.20 C ATOM 227 C ARG A 15 -2.801 7.417 0.209 1.00 0.17 C ATOM 228 O ARG A 15 -3.683 7.622 1.044 1.00 0.17 O ATOM 229 CB ARG A 15 -1.598 9.289 -0.758 1.00 0.25 C ATOM 230 CG ARG A 15 -1.487 10.380 -1.774 1.00 0.25 C ATOM 231 CD ARG A 15 -2.346 11.522 -1.340 1.00 0.29 C ATOM 232 NE ARG A 15 -1.939 12.782 -1.967 1.00 0.40 N ATOM 233 CZ ARG A 15 -2.509 13.964 -1.730 1.00 0.54 C ATOM 234 NH1 ARG A 15 -3.557 14.052 -0.927 1.00 0.67 N ATOM 235 NH2 ARG A 15 -2.039 15.060 -2.313 1.00 0.69 N ATOM 0 H ARG A 15 -4.135 9.777 -1.179 1.00 0.19 H new ATOM 0 HA ARG A 15 -2.375 7.663 -1.904 1.00 0.20 H new ATOM 0 HB2 ARG A 15 -1.792 9.739 0.215 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -0.636 8.780 -0.688 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -0.450 10.702 -1.872 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -1.803 10.019 -2.753 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -3.385 11.311 -1.592 1.00 0.29 H new ATOM 0 HD3 ARG A 15 -2.295 11.623 -0.256 1.00 0.29 H new ATOM 0 HE ARG A 15 -1.166 12.753 -2.631 1.00 0.40 H new ATOM 0 HH11 ARG A 15 -3.933 13.213 -0.485 1.00 0.67 H new ATOM 0 HH12 ARG A 15 -3.989 14.959 -0.749 1.00 0.67 H new ATOM 0 HH21 ARG A 15 -1.240 14.999 -2.944 1.00 0.69 H new ATOM 0 HH22 ARG A 15 -2.477 15.963 -2.130 1.00 0.69 H new ATOM 249 N VAL A 16 -1.875 6.507 0.341 1.00 0.18 N ATOM 250 CA VAL A 16 -1.696 5.775 1.558 1.00 0.20 C ATOM 251 C VAL A 16 -0.386 6.214 2.159 1.00 0.19 C ATOM 252 O VAL A 16 0.686 5.840 1.691 1.00 0.21 O ATOM 253 CB VAL A 16 -1.711 4.255 1.322 1.00 0.29 C ATOM 254 CG1 VAL A 16 -1.291 3.510 2.573 1.00 1.11 C ATOM 255 CG2 VAL A 16 -3.093 3.806 0.879 1.00 1.24 C ATOM 0 H VAL A 16 -1.221 6.253 -0.399 1.00 0.18 H new ATOM 0 HA VAL A 16 -2.522 5.983 2.238 1.00 0.20 H new ATOM 0 HB VAL A 16 -0.996 4.024 0.533 1.00 0.29 H new ATOM 0 HG11 VAL A 16 -1.310 2.437 2.381 1.00 1.11 H new ATOM 0 HG12 VAL A 16 -0.282 3.811 2.854 1.00 1.11 H new ATOM 0 HG13 VAL A 16 -1.979 3.745 3.385 1.00 1.11 H new ATOM 0 HG21 VAL A 16 -3.090 2.728 0.715 1.00 1.24 H new ATOM 0 HG22 VAL A 16 -3.821 4.054 1.651 1.00 1.24 H new ATOM 0 HG23 VAL A 16 -3.361 4.313 -0.048 1.00 1.24 H new ATOM 265 N VAL A 17 -0.488 7.071 3.148 1.00 0.20 N ATOM 266 CA VAL A 17 0.681 7.647 3.759 1.00 0.21 C ATOM 267 C VAL A 17 1.445 6.576 4.517 1.00 0.21 C ATOM 268 O VAL A 17 0.993 6.103 5.558 1.00 0.26 O ATOM 269 CB VAL A 17 0.309 8.801 4.701 1.00 0.25 C ATOM 270 CG1 VAL A 17 1.552 9.392 5.341 1.00 0.28 C ATOM 271 CG2 VAL A 17 -0.478 9.862 3.943 1.00 0.27 C ATOM 0 H VAL A 17 -1.373 7.384 3.546 1.00 0.20 H new ATOM 0 HA VAL A 17 1.313 8.053 2.969 1.00 0.21 H new ATOM 0 HB VAL A 17 -0.322 8.413 5.501 1.00 0.25 H new ATOM 0 HG11 VAL A 17 1.267 10.208 6.005 1.00 0.28 H new ATOM 0 HG12 VAL A 17 2.067 8.621 5.914 1.00 0.28 H new ATOM 0 HG13 VAL A 17 2.216 9.771 4.564 1.00 0.28 H new ATOM 0 HG21 VAL A 17 -0.737 10.676 4.620 1.00 0.27 H new ATOM 0 HG22 VAL A 17 0.129 10.250 3.125 1.00 0.27 H new ATOM 0 HG23 VAL A 17 -1.390 9.421 3.541 1.00 0.27 H new ATOM 281 N ILE A 18 2.575 6.173 3.961 1.00 0.20 N ATOM 282 CA ILE A 18 3.388 5.128 4.543 1.00 0.22 C ATOM 283 C ILE A 18 4.417 5.719 5.492 1.00 0.20 C ATOM 284 O ILE A 18 5.348 6.409 5.070 1.00 0.21 O ATOM 285 CB ILE A 18 4.100 4.288 3.455 1.00 0.26 C ATOM 286 CG1 ILE A 18 3.073 3.484 2.656 1.00 0.42 C ATOM 287 CG2 ILE A 18 5.142 3.367 4.083 1.00 0.25 C ATOM 288 CD1 ILE A 18 2.291 2.491 3.488 1.00 0.77 C ATOM 0 H ILE A 18 2.951 6.562 3.096 1.00 0.20 H new ATOM 0 HA ILE A 18 2.722 4.469 5.100 1.00 0.22 H new ATOM 0 HB ILE A 18 4.617 4.964 2.773 1.00 0.26 H new ATOM 0 HG12 ILE A 18 2.376 4.174 2.181 1.00 0.42 H new ATOM 0 HG13 ILE A 18 3.586 2.949 1.857 1.00 0.42 H new ATOM 0 HG21 ILE A 18 5.631 2.785 3.302 1.00 0.25 H new ATOM 0 HG22 ILE A 18 5.886 3.965 4.610 1.00 0.25 H new ATOM 0 HG23 ILE A 18 4.654 2.692 4.787 1.00 0.25 H new ATOM 0 HD11 ILE A 18 1.584 1.960 2.851 1.00 0.77 H new ATOM 0 HD12 ILE A 18 2.977 1.776 3.942 1.00 0.77 H new ATOM 0 HD13 ILE A 18 1.748 3.020 4.271 1.00 0.77 H new ATOM 300 N PRO A 19 4.226 5.495 6.797 1.00 0.23 N ATOM 301 CA PRO A 19 5.191 5.884 7.820 1.00 0.26 C ATOM 302 C PRO A 19 6.594 5.412 7.498 1.00 0.24 C ATOM 303 O PRO A 19 6.809 4.284 7.047 1.00 0.23 O ATOM 304 CB PRO A 19 4.667 5.182 9.065 1.00 0.29 C ATOM 305 CG PRO A 19 3.202 5.162 8.853 1.00 0.32 C ATOM 306 CD PRO A 19 3.030 4.873 7.392 1.00 0.29 C ATOM 0 HA PRO A 19 5.274 6.966 7.920 1.00 0.26 H new ATOM 0 HB2 PRO A 19 5.074 4.175 9.160 1.00 0.29 H new ATOM 0 HB3 PRO A 19 4.935 5.721 9.974 1.00 0.29 H new ATOM 0 HG2 PRO A 19 2.724 4.398 9.466 1.00 0.32 H new ATOM 0 HG3 PRO A 19 2.750 6.116 9.123 1.00 0.32 H new ATOM 0 HD2 PRO A 19 2.989 3.802 7.193 1.00 0.29 H new ATOM 0 HD3 PRO A 19 2.110 5.306 6.999 1.00 0.29 H new ATOM 314 N LYS A 20 7.542 6.288 7.739 1.00 0.27 N ATOM 315 CA LYS A 20 8.940 6.002 7.505 1.00 0.28 C ATOM 316 C LYS A 20 9.417 4.782 8.281 1.00 0.25 C ATOM 317 O LYS A 20 10.481 4.273 7.998 1.00 0.26 O ATOM 318 CB LYS A 20 9.823 7.209 7.837 1.00 0.35 C ATOM 319 CG LYS A 20 9.684 7.706 9.268 1.00 0.40 C ATOM 320 CD LYS A 20 8.389 8.468 9.469 1.00 0.55 C ATOM 321 CE LYS A 20 8.356 9.769 8.675 1.00 0.77 C ATOM 322 NZ LYS A 20 9.398 10.732 9.113 1.00 1.57 N ATOM 0 H LYS A 20 7.365 7.224 8.105 1.00 0.27 H new ATOM 0 HA LYS A 20 9.032 5.781 6.442 1.00 0.28 H new ATOM 0 HB2 LYS A 20 10.865 6.944 7.655 1.00 0.35 H new ATOM 0 HB3 LYS A 20 9.578 8.023 7.155 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.719 6.859 9.953 1.00 0.40 H new ATOM 0 HG3 LYS A 20 10.528 8.350 9.514 1.00 0.40 H new ATOM 0 HD2 LYS A 20 7.550 7.840 9.169 1.00 0.55 H new ATOM 0 HD3 LYS A 20 8.260 8.688 10.529 1.00 0.55 H new ATOM 0 HE2 LYS A 20 8.493 9.548 7.616 1.00 0.77 H new ATOM 0 HE3 LYS A 20 7.374 10.230 8.780 1.00 0.77 H new ATOM 0 HZ1 LYS A 20 9.218 11.660 8.678 1.00 1.57 H new ATOM 0 HZ2 LYS A 20 9.372 10.824 10.149 1.00 1.57 H new ATOM 0 HZ3 LYS A 20 10.334 10.388 8.819 1.00 1.57 H new ATOM 336 N GLU A 21 8.642 4.319 9.259 1.00 0.24 N ATOM 337 CA GLU A 21 9.053 3.175 10.071 1.00 0.24 C ATOM 338 C GLU A 21 9.099 1.879 9.246 1.00 0.22 C ATOM 339 O GLU A 21 9.887 0.972 9.541 1.00 0.23 O ATOM 340 CB GLU A 21 8.135 3.001 11.285 1.00 0.27 C ATOM 341 CG GLU A 21 6.740 2.521 10.940 1.00 0.35 C ATOM 342 CD GLU A 21 5.931 2.177 12.173 1.00 0.73 C ATOM 343 OE1 GLU A 21 6.239 1.157 12.830 1.00 1.30 O ATOM 344 OE2 GLU A 21 5.000 2.937 12.507 1.00 1.32 O ATOM 0 H GLU A 21 7.735 4.713 9.507 1.00 0.24 H new ATOM 0 HA GLU A 21 10.062 3.382 10.427 1.00 0.24 H new ATOM 0 HB2 GLU A 21 8.592 2.291 11.974 1.00 0.27 H new ATOM 0 HB3 GLU A 21 8.061 3.953 11.811 1.00 0.27 H new ATOM 0 HG2 GLU A 21 6.222 3.294 10.372 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.808 1.644 10.296 1.00 0.35 H new ATOM 351 N ILE A 22 8.317 1.807 8.171 1.00 0.23 N ATOM 352 CA ILE A 22 8.287 0.589 7.375 1.00 0.25 C ATOM 353 C ILE A 22 9.386 0.693 6.335 1.00 0.24 C ATOM 354 O ILE A 22 10.137 -0.247 6.108 1.00 0.25 O ATOM 355 CB ILE A 22 6.927 0.336 6.678 1.00 0.29 C ATOM 356 CG1 ILE A 22 5.781 0.398 7.690 1.00 0.27 C ATOM 357 CG2 ILE A 22 6.931 -1.021 5.982 1.00 0.35 C ATOM 358 CD1 ILE A 22 5.176 1.773 7.853 1.00 0.25 C ATOM 0 H ILE A 22 7.711 2.558 7.840 1.00 0.23 H new ATOM 0 HA ILE A 22 8.438 -0.257 8.046 1.00 0.25 H new ATOM 0 HB ILE A 22 6.777 1.117 5.932 1.00 0.29 H new ATOM 0 HG12 ILE A 22 5.000 -0.297 7.381 1.00 0.27 H new ATOM 0 HG13 ILE A 22 6.147 0.057 8.658 1.00 0.27 H new ATOM 0 HG21 ILE A 22 5.969 -1.184 5.497 1.00 0.35 H new ATOM 0 HG22 ILE A 22 7.723 -1.044 5.233 1.00 0.35 H new ATOM 0 HG23 ILE A 22 7.104 -1.807 6.717 1.00 0.35 H new ATOM 0 HD11 ILE A 22 4.371 1.732 8.587 1.00 0.25 H new ATOM 0 HD12 ILE A 22 5.942 2.470 8.193 1.00 0.25 H new ATOM 0 HD13 ILE A 22 4.777 2.111 6.896 1.00 0.25 H new ATOM 370 N ARG A 23 9.489 1.883 5.747 1.00 0.23 N ATOM 371 CA ARG A 23 10.582 2.240 4.849 1.00 0.22 C ATOM 372 C ARG A 23 11.905 2.095 5.590 1.00 0.23 C ATOM 373 O ARG A 23 12.942 1.775 5.013 1.00 0.24 O ATOM 374 CB ARG A 23 10.342 3.678 4.340 1.00 0.24 C ATOM 375 CG ARG A 23 11.580 4.547 4.162 1.00 0.48 C ATOM 376 CD ARG A 23 12.018 5.182 5.473 1.00 0.39 C ATOM 377 NE ARG A 23 12.338 6.604 5.337 1.00 0.82 N ATOM 378 CZ ARG A 23 13.222 7.248 6.102 1.00 0.96 C ATOM 379 NH1 ARG A 23 13.963 6.587 6.981 1.00 1.34 N ATOM 380 NH2 ARG A 23 13.380 8.554 5.965 1.00 1.50 N ATOM 0 H ARG A 23 8.810 2.632 5.882 1.00 0.23 H new ATOM 0 HA ARG A 23 10.622 1.578 3.984 1.00 0.22 H new ATOM 0 HB2 ARG A 23 9.824 3.620 3.382 1.00 0.24 H new ATOM 0 HB3 ARG A 23 9.669 4.179 5.036 1.00 0.24 H new ATOM 0 HG2 ARG A 23 12.394 3.943 3.761 1.00 0.48 H new ATOM 0 HG3 ARG A 23 11.373 5.329 3.431 1.00 0.48 H new ATOM 0 HD2 ARG A 23 11.226 5.062 6.212 1.00 0.39 H new ATOM 0 HD3 ARG A 23 12.892 4.653 5.854 1.00 0.39 H new ATOM 0 HE ARG A 23 11.855 7.136 4.613 1.00 0.82 H new ATOM 0 HH11 ARG A 23 13.860 5.577 7.077 1.00 1.34 H new ATOM 0 HH12 ARG A 23 14.636 7.089 7.561 1.00 1.34 H new ATOM 0 HH21 ARG A 23 12.827 9.065 5.277 1.00 1.50 H new ATOM 0 HH22 ARG A 23 14.054 9.050 6.548 1.00 1.50 H new ATOM 394 N ARG A 24 11.834 2.347 6.881 1.00 0.24 N ATOM 395 CA ARG A 24 12.941 2.150 7.793 1.00 0.27 C ATOM 396 C ARG A 24 13.380 0.695 7.802 1.00 0.29 C ATOM 397 O ARG A 24 14.557 0.398 7.599 1.00 0.32 O ATOM 398 CB ARG A 24 12.514 2.584 9.190 1.00 0.31 C ATOM 399 CG ARG A 24 13.539 2.339 10.273 1.00 0.39 C ATOM 400 CD ARG A 24 12.910 2.483 11.649 1.00 0.45 C ATOM 401 NE ARG A 24 11.906 1.441 11.890 1.00 1.39 N ATOM 402 CZ ARG A 24 11.118 1.392 12.962 1.00 1.90 C ATOM 403 NH1 ARG A 24 11.216 2.318 13.906 1.00 1.52 N ATOM 404 NH2 ARG A 24 10.235 0.409 13.088 1.00 2.96 N ATOM 0 H ARG A 24 10.991 2.700 7.333 1.00 0.24 H new ATOM 0 HA ARG A 24 13.789 2.752 7.465 1.00 0.27 H new ATOM 0 HB2 ARG A 24 12.277 3.648 9.168 1.00 0.31 H new ATOM 0 HB3 ARG A 24 11.596 2.059 9.453 1.00 0.31 H new ATOM 0 HG2 ARG A 24 13.960 1.340 10.163 1.00 0.39 H new ATOM 0 HG3 ARG A 24 14.362 3.045 10.168 1.00 0.39 H new ATOM 0 HD2 ARG A 24 13.685 2.427 12.413 1.00 0.45 H new ATOM 0 HD3 ARG A 24 12.446 3.465 11.738 1.00 0.45 H new ATOM 0 HE ARG A 24 11.805 0.706 11.190 1.00 1.39 H new ATOM 0 HH11 ARG A 24 11.897 3.072 13.812 1.00 1.52 H new ATOM 0 HH12 ARG A 24 10.610 2.277 14.726 1.00 1.52 H new ATOM 0 HH21 ARG A 24 10.161 -0.306 12.365 1.00 2.96 H new ATOM 0 HH22 ARG A 24 9.630 0.369 13.908 1.00 2.96 H new ATOM 418 N THR A 25 12.440 -0.224 8.025 1.00 0.29 N ATOM 419 CA THR A 25 12.739 -1.648 7.940 1.00 0.31 C ATOM 420 C THR A 25 13.096 -2.048 6.506 1.00 0.30 C ATOM 421 O THR A 25 13.841 -3.003 6.275 1.00 0.33 O ATOM 422 CB THR A 25 11.531 -2.468 8.428 1.00 0.34 C ATOM 423 OG1 THR A 25 11.077 -1.944 9.686 1.00 0.36 O ATOM 424 CG2 THR A 25 11.900 -3.934 8.589 1.00 0.40 C ATOM 0 H THR A 25 11.472 -0.007 8.264 1.00 0.29 H new ATOM 0 HA THR A 25 13.598 -1.856 8.578 1.00 0.31 H new ATOM 0 HB THR A 25 10.736 -2.393 7.686 1.00 0.34 H new ATOM 0 HG1 THR A 25 10.307 -2.463 9.998 1.00 0.36 H new ATOM 0 HG21 THR A 25 11.030 -4.492 8.935 1.00 0.40 H new ATOM 0 HG22 THR A 25 12.230 -4.334 7.630 1.00 0.40 H new ATOM 0 HG23 THR A 25 12.705 -4.029 9.318 1.00 0.40 H new ATOM 432 N LEU A 26 12.569 -1.296 5.550 1.00 0.27 N ATOM 433 CA LEU A 26 12.916 -1.465 4.142 1.00 0.28 C ATOM 434 C LEU A 26 14.388 -1.134 3.907 1.00 0.31 C ATOM 435 O LEU A 26 14.974 -1.565 2.912 1.00 0.36 O ATOM 436 CB LEU A 26 12.037 -0.555 3.265 1.00 0.25 C ATOM 437 CG LEU A 26 10.884 -1.243 2.527 1.00 0.26 C ATOM 438 CD1 LEU A 26 11.398 -2.425 1.733 1.00 0.32 C ATOM 439 CD2 LEU A 26 9.791 -1.681 3.487 1.00 0.26 C ATOM 0 H LEU A 26 11.891 -0.554 5.725 1.00 0.27 H new ATOM 0 HA LEU A 26 12.741 -2.506 3.871 1.00 0.28 H new ATOM 0 HB2 LEU A 26 11.621 0.231 3.895 1.00 0.25 H new ATOM 0 HB3 LEU A 26 12.675 -0.068 2.527 1.00 0.25 H new ATOM 0 HG LEU A 26 10.449 -0.519 1.839 1.00 0.26 H new ATOM 0 HD11 LEU A 26 10.567 -2.904 1.214 1.00 0.32 H new ATOM 0 HD12 LEU A 26 12.132 -2.082 1.004 1.00 0.32 H new ATOM 0 HD13 LEU A 26 11.865 -3.142 2.409 1.00 0.32 H new ATOM 0 HD21 LEU A 26 8.989 -2.165 2.929 1.00 0.26 H new ATOM 0 HD22 LEU A 26 10.203 -2.382 4.212 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.395 -0.810 4.009 1.00 0.26 H new ATOM 451 N ARG A 27 14.966 -0.367 4.839 1.00 0.32 N ATOM 452 CA ARG A 27 16.346 0.116 4.747 1.00 0.40 C ATOM 453 C ARG A 27 16.436 1.180 3.659 1.00 0.39 C ATOM 454 O ARG A 27 17.514 1.509 3.160 1.00 0.46 O ATOM 455 CB ARG A 27 17.317 -1.034 4.463 1.00 0.51 C ATOM 456 CG ARG A 27 18.683 -0.856 5.104 1.00 0.78 C ATOM 457 CD ARG A 27 18.572 -0.822 6.621 1.00 0.90 C ATOM 458 NE ARG A 27 19.878 -0.818 7.276 1.00 1.76 N ATOM 459 CZ ARG A 27 20.054 -0.984 8.587 1.00 2.28 C ATOM 460 NH1 ARG A 27 19.009 -1.140 9.393 1.00 2.36 N ATOM 461 NH2 ARG A 27 21.282 -0.993 9.095 1.00 3.20 N ATOM 0 H ARG A 27 14.484 -0.062 5.685 1.00 0.32 H new ATOM 0 HA ARG A 27 16.631 0.554 5.704 1.00 0.40 H new ATOM 0 HB2 ARG A 27 16.877 -1.965 4.820 1.00 0.51 H new ATOM 0 HB3 ARG A 27 17.442 -1.134 3.385 1.00 0.51 H new ATOM 0 HG2 ARG A 27 19.340 -1.672 4.802 1.00 0.78 H new ATOM 0 HG3 ARG A 27 19.138 0.068 4.748 1.00 0.78 H new ATOM 0 HD2 ARG A 27 18.015 0.065 6.922 1.00 0.90 H new ATOM 0 HD3 ARG A 27 18.001 -1.687 6.960 1.00 0.90 H new ATOM 0 HE ARG A 27 20.705 -0.680 6.695 1.00 1.76 H new ATOM 0 HH11 ARG A 27 18.064 -1.133 9.010 1.00 2.36 H new ATOM 0 HH12 ARG A 27 19.152 -1.266 10.395 1.00 2.36 H new ATOM 0 HH21 ARG A 27 22.088 -0.873 8.482 1.00 3.20 H new ATOM 0 HH22 ARG A 27 21.418 -1.120 10.098 1.00 3.20 H new ATOM 475 N ILE A 28 15.280 1.724 3.315 1.00 0.33 N ATOM 476 CA ILE A 28 15.168 2.719 2.269 1.00 0.33 C ATOM 477 C ILE A 28 14.713 4.038 2.891 1.00 0.31 C ATOM 478 O ILE A 28 14.731 4.181 4.112 1.00 0.34 O ATOM 479 CB ILE A 28 14.193 2.236 1.167 1.00 0.36 C ATOM 480 CG1 ILE A 28 14.364 0.726 0.968 1.00 0.44 C ATOM 481 CG2 ILE A 28 14.466 2.951 -0.156 1.00 0.38 C ATOM 482 CD1 ILE A 28 13.459 0.125 -0.082 1.00 0.48 C ATOM 0 H ILE A 28 14.392 1.485 3.757 1.00 0.33 H new ATOM 0 HA ILE A 28 16.136 2.873 1.793 1.00 0.33 H new ATOM 0 HB ILE A 28 13.174 2.464 1.481 1.00 0.36 H new ATOM 0 HG12 ILE A 28 15.400 0.523 0.696 1.00 0.44 H new ATOM 0 HG13 ILE A 28 14.180 0.224 1.918 1.00 0.44 H new ATOM 0 HG21 ILE A 28 13.768 2.594 -0.913 1.00 0.38 H new ATOM 0 HG22 ILE A 28 14.338 4.025 -0.022 1.00 0.38 H new ATOM 0 HG23 ILE A 28 15.487 2.744 -0.477 1.00 0.38 H new ATOM 0 HD11 ILE A 28 13.648 -0.946 -0.156 1.00 0.48 H new ATOM 0 HD12 ILE A 28 12.418 0.291 0.196 1.00 0.48 H new ATOM 0 HD13 ILE A 28 13.657 0.595 -1.045 1.00 0.48 H new ATOM 494 N ARG A 29 14.310 4.995 2.076 1.00 0.32 N ATOM 495 CA ARG A 29 13.995 6.333 2.561 1.00 0.32 C ATOM 496 C ARG A 29 13.028 7.020 1.611 1.00 0.30 C ATOM 497 O ARG A 29 12.226 6.354 0.962 1.00 0.28 O ATOM 498 CB ARG A 29 15.290 7.152 2.745 1.00 0.40 C ATOM 499 CG ARG A 29 15.950 7.658 1.460 1.00 0.58 C ATOM 500 CD ARG A 29 15.983 6.609 0.362 1.00 0.64 C ATOM 501 NE ARG A 29 16.789 7.042 -0.774 1.00 0.92 N ATOM 502 CZ ARG A 29 17.611 6.242 -1.453 1.00 1.58 C ATOM 503 NH1 ARG A 29 17.771 4.974 -1.081 1.00 2.40 N ATOM 504 NH2 ARG A 29 18.307 6.724 -2.472 1.00 1.98 N ATOM 0 H ARG A 29 14.192 4.873 1.070 1.00 0.32 H new ATOM 0 HA ARG A 29 13.509 6.258 3.534 1.00 0.32 H new ATOM 0 HB2 ARG A 29 15.067 8.011 3.378 1.00 0.40 H new ATOM 0 HB3 ARG A 29 16.012 6.538 3.284 1.00 0.40 H new ATOM 0 HG2 ARG A 29 15.412 8.535 1.102 1.00 0.58 H new ATOM 0 HG3 ARG A 29 16.968 7.977 1.682 1.00 0.58 H new ATOM 0 HD2 ARG A 29 16.386 5.678 0.760 1.00 0.64 H new ATOM 0 HD3 ARG A 29 14.967 6.399 0.028 1.00 0.64 H new ATOM 0 HE ARG A 29 16.719 8.017 -1.067 1.00 0.92 H new ATOM 0 HH11 ARG A 29 17.264 4.611 -0.274 1.00 2.40 H new ATOM 0 HH12 ARG A 29 18.401 4.365 -1.603 1.00 2.40 H new ATOM 0 HH21 ARG A 29 18.213 7.705 -2.735 1.00 1.98 H new ATOM 0 HH22 ARG A 29 18.937 6.114 -2.993 1.00 1.98 H new ATOM 518 N GLU A 30 13.111 8.341 1.522 1.00 0.34 N ATOM 519 CA GLU A 30 12.261 9.114 0.630 1.00 0.36 C ATOM 520 C GLU A 30 12.657 8.937 -0.829 1.00 0.35 C ATOM 521 O GLU A 30 12.643 9.882 -1.618 1.00 0.44 O ATOM 522 CB GLU A 30 12.304 10.584 1.009 1.00 0.45 C ATOM 523 CG GLU A 30 11.514 10.880 2.261 1.00 0.50 C ATOM 524 CD GLU A 30 12.185 10.378 3.516 1.00 0.62 C ATOM 525 OE1 GLU A 30 13.216 10.958 3.912 1.00 1.08 O ATOM 526 OE2 GLU A 30 11.697 9.398 4.111 1.00 1.23 O ATOM 0 H GLU A 30 13.767 8.904 2.064 1.00 0.34 H new ATOM 0 HA GLU A 30 11.243 8.741 0.742 1.00 0.36 H new ATOM 0 HB2 GLU A 30 13.340 10.888 1.156 1.00 0.45 H new ATOM 0 HB3 GLU A 30 11.911 11.180 0.185 1.00 0.45 H new ATOM 0 HG2 GLU A 30 11.363 11.956 2.342 1.00 0.50 H new ATOM 0 HG3 GLU A 30 10.527 10.425 2.177 1.00 0.50 H new ATOM 533 N GLY A 31 12.992 7.707 -1.174 1.00 0.30 N ATOM 534 CA GLY A 31 13.219 7.333 -2.544 1.00 0.30 C ATOM 535 C GLY A 31 12.978 5.849 -2.739 1.00 0.30 C ATOM 536 O GLY A 31 13.650 5.199 -3.532 1.00 0.36 O ATOM 0 H GLY A 31 13.112 6.945 -0.507 1.00 0.30 H new ATOM 0 HA2 GLY A 31 12.558 7.903 -3.197 1.00 0.30 H new ATOM 0 HA3 GLY A 31 14.241 7.582 -2.830 1.00 0.30 H new ATOM 540 N ASP A 32 12.023 5.324 -1.977 1.00 0.28 N ATOM 541 CA ASP A 32 11.598 3.932 -2.099 1.00 0.31 C ATOM 542 C ASP A 32 10.461 3.831 -3.110 1.00 0.28 C ATOM 543 O ASP A 32 9.390 4.418 -2.932 1.00 0.31 O ATOM 544 CB ASP A 32 11.148 3.394 -0.739 1.00 0.38 C ATOM 545 CG ASP A 32 10.718 1.935 -0.770 1.00 0.43 C ATOM 546 OD1 ASP A 32 11.073 1.220 -1.730 1.00 1.07 O ATOM 547 OD2 ASP A 32 10.043 1.502 0.187 1.00 1.26 O ATOM 0 H ASP A 32 11.523 5.849 -1.260 1.00 0.28 H new ATOM 0 HA ASP A 32 12.439 3.331 -2.446 1.00 0.31 H new ATOM 0 HB2 ASP A 32 11.964 3.508 -0.025 1.00 0.38 H new ATOM 0 HB3 ASP A 32 10.319 4.000 -0.375 1.00 0.38 H new ATOM 552 N PRO A 33 10.710 3.124 -4.203 1.00 0.23 N ATOM 553 CA PRO A 33 9.771 2.969 -5.302 1.00 0.26 C ATOM 554 C PRO A 33 8.810 1.820 -5.125 1.00 0.47 C ATOM 555 O PRO A 33 8.811 0.904 -5.920 1.00 1.30 O ATOM 556 CB PRO A 33 10.658 2.627 -6.492 1.00 0.22 C ATOM 557 CG PRO A 33 12.062 2.540 -5.966 1.00 0.14 C ATOM 558 CD PRO A 33 11.957 2.429 -4.473 1.00 0.23 C ATOM 0 HA PRO A 33 9.165 3.870 -5.396 1.00 0.26 H new ATOM 0 HB2 PRO A 33 10.354 1.683 -6.944 1.00 0.22 H new ATOM 0 HB3 PRO A 33 10.580 3.391 -7.266 1.00 0.22 H new ATOM 0 HG2 PRO A 33 12.579 1.676 -6.383 1.00 0.14 H new ATOM 0 HG3 PRO A 33 12.637 3.422 -6.249 1.00 0.14 H new ATOM 0 HD2 PRO A 33 11.925 1.391 -4.143 1.00 0.23 H new ATOM 0 HD3 PRO A 33 12.802 2.898 -3.969 1.00 0.23 H new ATOM 566 N LEU A 34 7.977 1.850 -4.134 1.00 0.29 N ATOM 567 CA LEU A 34 7.127 0.711 -3.911 1.00 0.21 C ATOM 568 C LEU A 34 6.162 0.488 -5.078 1.00 0.22 C ATOM 569 O LEU A 34 5.768 1.407 -5.778 1.00 0.27 O ATOM 570 CB LEU A 34 6.357 0.814 -2.589 1.00 0.23 C ATOM 571 CG LEU A 34 7.127 1.405 -1.405 1.00 0.31 C ATOM 572 CD1 LEU A 34 6.933 2.913 -1.332 1.00 0.38 C ATOM 573 CD2 LEU A 34 6.688 0.744 -0.107 1.00 0.38 C ATOM 0 H LEU A 34 7.863 2.624 -3.480 1.00 0.29 H new ATOM 0 HA LEU A 34 7.785 -0.155 -3.844 1.00 0.21 H new ATOM 0 HB2 LEU A 34 5.467 1.421 -2.757 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.015 -0.183 -2.312 1.00 0.23 H new ATOM 0 HG LEU A 34 8.189 1.208 -1.553 1.00 0.31 H new ATOM 0 HD11 LEU A 34 7.489 3.311 -0.483 1.00 0.38 H new ATOM 0 HD12 LEU A 34 7.297 3.372 -2.251 1.00 0.38 H new ATOM 0 HD13 LEU A 34 5.874 3.138 -1.209 1.00 0.38 H new ATOM 0 HD21 LEU A 34 7.244 1.174 0.726 1.00 0.38 H new ATOM 0 HD22 LEU A 34 5.621 0.911 0.044 1.00 0.38 H new ATOM 0 HD23 LEU A 34 6.884 -0.327 -0.160 1.00 0.38 H new ATOM 585 N GLU A 35 5.770 -0.754 -5.213 1.00 0.20 N ATOM 586 CA GLU A 35 4.969 -1.213 -6.333 1.00 0.20 C ATOM 587 C GLU A 35 3.604 -1.561 -5.843 1.00 0.16 C ATOM 588 O GLU A 35 3.471 -2.461 -5.034 1.00 0.16 O ATOM 589 CB GLU A 35 5.574 -2.433 -7.024 1.00 0.22 C ATOM 590 CG GLU A 35 4.689 -2.988 -8.133 1.00 0.23 C ATOM 591 CD GLU A 35 5.325 -4.142 -8.876 1.00 0.34 C ATOM 592 OE1 GLU A 35 6.092 -3.896 -9.822 1.00 1.12 O ATOM 593 OE2 GLU A 35 5.047 -5.305 -8.514 1.00 0.95 O ATOM 0 H GLU A 35 5.998 -1.488 -4.543 1.00 0.20 H new ATOM 0 HA GLU A 35 4.932 -0.405 -7.064 1.00 0.20 H new ATOM 0 HB2 GLU A 35 6.544 -2.164 -7.441 1.00 0.22 H new ATOM 0 HB3 GLU A 35 5.751 -3.213 -6.283 1.00 0.22 H new ATOM 0 HG2 GLU A 35 3.742 -3.317 -7.704 1.00 0.23 H new ATOM 0 HG3 GLU A 35 4.459 -2.191 -8.840 1.00 0.23 H new ATOM 600 N ILE A 36 2.613 -0.846 -6.334 1.00 0.14 N ATOM 601 CA ILE A 36 1.237 -1.045 -5.941 1.00 0.11 C ATOM 602 C ILE A 36 0.633 -2.165 -6.761 1.00 0.10 C ATOM 603 O ILE A 36 0.478 -2.040 -7.978 1.00 0.14 O ATOM 604 CB ILE A 36 0.399 0.247 -6.160 1.00 0.12 C ATOM 605 CG1 ILE A 36 0.814 1.358 -5.193 1.00 0.15 C ATOM 606 CG2 ILE A 36 -1.093 -0.028 -6.033 1.00 0.14 C ATOM 607 CD1 ILE A 36 2.140 2.007 -5.521 1.00 0.39 C ATOM 0 H ILE A 36 2.743 -0.105 -7.023 1.00 0.14 H new ATOM 0 HA ILE A 36 1.221 -1.299 -4.881 1.00 0.11 H new ATOM 0 HB ILE A 36 0.601 0.586 -7.176 1.00 0.12 H new ATOM 0 HG12 ILE A 36 0.040 2.125 -5.186 1.00 0.15 H new ATOM 0 HG13 ILE A 36 0.864 0.946 -4.185 1.00 0.15 H new ATOM 0 HG21 ILE A 36 -1.648 0.896 -6.192 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -1.392 -0.764 -6.779 1.00 0.14 H new ATOM 0 HG23 ILE A 36 -1.308 -0.414 -5.037 1.00 0.14 H new ATOM 0 HD11 ILE A 36 2.357 2.782 -4.786 1.00 0.39 H new ATOM 0 HD12 ILE A 36 2.929 1.255 -5.499 1.00 0.39 H new ATOM 0 HD13 ILE A 36 2.091 2.452 -6.515 1.00 0.39 H new ATOM 619 N PHE A 37 0.345 -3.270 -6.113 1.00 0.09 N ATOM 620 CA PHE A 37 -0.381 -4.344 -6.751 1.00 0.10 C ATOM 621 C PHE A 37 -1.200 -5.094 -5.716 1.00 0.09 C ATOM 622 O PHE A 37 -0.680 -5.550 -4.708 1.00 0.09 O ATOM 623 CB PHE A 37 0.581 -5.264 -7.531 1.00 0.12 C ATOM 624 CG PHE A 37 0.933 -6.568 -6.850 1.00 0.16 C ATOM 625 CD1 PHE A 37 2.028 -6.655 -6.009 1.00 1.12 C ATOM 626 CD2 PHE A 37 0.168 -7.708 -7.063 1.00 1.10 C ATOM 627 CE1 PHE A 37 2.353 -7.849 -5.392 1.00 1.12 C ATOM 628 CE2 PHE A 37 0.490 -8.903 -6.449 1.00 1.15 C ATOM 629 CZ PHE A 37 1.584 -8.973 -5.612 1.00 0.35 C ATOM 0 H PHE A 37 0.603 -3.449 -5.143 1.00 0.09 H new ATOM 0 HA PHE A 37 -1.076 -3.933 -7.483 1.00 0.10 H new ATOM 0 HB2 PHE A 37 0.135 -5.489 -8.499 1.00 0.12 H new ATOM 0 HB3 PHE A 37 1.503 -4.715 -7.725 1.00 0.12 H new ATOM 0 HD1 PHE A 37 2.636 -5.780 -5.832 1.00 1.12 H new ATOM 0 HD2 PHE A 37 -0.690 -7.659 -7.717 1.00 1.10 H new ATOM 0 HE1 PHE A 37 3.210 -7.902 -4.737 1.00 1.12 H new ATOM 0 HE2 PHE A 37 -0.114 -9.781 -6.624 1.00 1.15 H new ATOM 0 HZ PHE A 37 1.838 -9.905 -5.130 1.00 0.35 H new ATOM 639 N VAL A 38 -2.490 -5.182 -5.949 1.00 0.09 N ATOM 640 CA VAL A 38 -3.377 -5.866 -5.021 1.00 0.09 C ATOM 641 C VAL A 38 -3.299 -7.370 -5.234 1.00 0.11 C ATOM 642 O VAL A 38 -3.255 -7.852 -6.365 1.00 0.17 O ATOM 643 CB VAL A 38 -4.836 -5.350 -5.154 1.00 0.11 C ATOM 644 CG1 VAL A 38 -5.222 -5.178 -6.617 1.00 0.16 C ATOM 645 CG2 VAL A 38 -5.827 -6.276 -4.459 1.00 0.11 C ATOM 0 H VAL A 38 -2.952 -4.791 -6.770 1.00 0.09 H new ATOM 0 HA VAL A 38 -3.050 -5.647 -4.005 1.00 0.09 H new ATOM 0 HB VAL A 38 -4.878 -4.378 -4.662 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -6.248 -4.816 -6.682 1.00 0.16 H new ATOM 0 HG12 VAL A 38 -4.552 -4.458 -7.088 1.00 0.16 H new ATOM 0 HG13 VAL A 38 -5.142 -6.137 -7.129 1.00 0.16 H new ATOM 0 HG21 VAL A 38 -6.836 -5.881 -4.574 1.00 0.11 H new ATOM 0 HG22 VAL A 38 -5.772 -7.269 -4.906 1.00 0.11 H new ATOM 0 HG23 VAL A 38 -5.582 -6.341 -3.399 1.00 0.11 H new ATOM 655 N ASP A 39 -3.254 -8.094 -4.130 1.00 0.09 N ATOM 656 CA ASP A 39 -3.025 -9.531 -4.161 1.00 0.12 C ATOM 657 C ASP A 39 -4.320 -10.301 -4.303 1.00 0.16 C ATOM 658 O ASP A 39 -4.446 -11.213 -5.118 1.00 0.18 O ATOM 659 CB ASP A 39 -2.355 -9.981 -2.865 1.00 0.19 C ATOM 660 CG ASP A 39 -1.873 -11.419 -2.936 1.00 0.23 C ATOM 661 OD1 ASP A 39 -0.969 -11.705 -3.746 1.00 1.04 O ATOM 662 OD2 ASP A 39 -2.403 -12.273 -2.194 1.00 1.11 O ATOM 0 H ASP A 39 -3.374 -7.709 -3.193 1.00 0.09 H new ATOM 0 HA ASP A 39 -2.388 -9.735 -5.022 1.00 0.12 H new ATOM 0 HB2 ASP A 39 -1.510 -9.327 -2.649 1.00 0.19 H new ATOM 0 HB3 ASP A 39 -3.059 -9.876 -2.039 1.00 0.19 H new ATOM 667 N ARG A 40 -5.288 -9.900 -3.512 1.00 0.32 N ATOM 668 CA ARG A 40 -6.441 -10.731 -3.241 1.00 0.43 C ATOM 669 C ARG A 40 -7.748 -9.992 -3.486 1.00 0.43 C ATOM 670 O ARG A 40 -8.270 -9.989 -4.597 1.00 0.49 O ATOM 671 CB ARG A 40 -6.350 -11.217 -1.792 1.00 0.53 C ATOM 672 CG ARG A 40 -5.505 -10.294 -0.934 1.00 0.53 C ATOM 673 CD ARG A 40 -4.258 -10.972 -0.406 1.00 0.72 C ATOM 674 NE ARG A 40 -4.507 -11.745 0.799 1.00 1.09 N ATOM 675 CZ ARG A 40 -3.862 -12.863 1.108 1.00 1.66 C ATOM 676 NH1 ARG A 40 -2.991 -13.389 0.253 1.00 2.22 N ATOM 677 NH2 ARG A 40 -4.091 -13.455 2.273 1.00 2.29 N ATOM 0 H ARG A 40 -5.300 -8.996 -3.041 1.00 0.32 H new ATOM 0 HA ARG A 40 -6.438 -11.580 -3.925 1.00 0.43 H new ATOM 0 HB2 ARG A 40 -7.352 -11.287 -1.370 1.00 0.53 H new ATOM 0 HB3 ARG A 40 -5.925 -12.220 -1.772 1.00 0.53 H new ATOM 0 HG2 ARG A 40 -5.219 -9.420 -1.519 1.00 0.53 H new ATOM 0 HG3 ARG A 40 -6.102 -9.935 -0.096 1.00 0.53 H new ATOM 0 HD2 ARG A 40 -3.852 -11.628 -1.176 1.00 0.72 H new ATOM 0 HD3 ARG A 40 -3.499 -10.217 -0.198 1.00 0.72 H new ATOM 0 HE ARG A 40 -5.220 -11.408 1.446 1.00 1.09 H new ATOM 0 HH11 ARG A 40 -2.817 -12.933 -0.643 1.00 2.22 H new ATOM 0 HH12 ARG A 40 -2.496 -14.248 0.493 1.00 2.22 H new ATOM 0 HH21 ARG A 40 -4.761 -13.051 2.928 1.00 2.29 H new ATOM 0 HH22 ARG A 40 -3.597 -14.314 2.514 1.00 2.29 H new ATOM 691 N ASP A 41 -8.261 -9.348 -2.452 1.00 0.47 N ATOM 692 CA ASP A 41 -9.546 -8.670 -2.544 1.00 0.52 C ATOM 693 C ASP A 41 -9.382 -7.170 -2.438 1.00 0.43 C ATOM 694 O ASP A 41 -9.616 -6.438 -3.397 1.00 0.50 O ATOM 695 CB ASP A 41 -10.498 -9.172 -1.456 1.00 0.57 C ATOM 696 CG ASP A 41 -11.158 -10.483 -1.832 1.00 0.96 C ATOM 697 OD1 ASP A 41 -10.586 -11.551 -1.539 1.00 1.53 O ATOM 698 OD2 ASP A 41 -12.250 -10.446 -2.439 1.00 1.34 O ATOM 0 H ASP A 41 -7.810 -9.279 -1.540 1.00 0.47 H new ATOM 0 HA ASP A 41 -9.973 -8.899 -3.520 1.00 0.52 H new ATOM 0 HB2 ASP A 41 -9.947 -9.299 -0.524 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -11.266 -8.420 -1.273 1.00 0.57 H new ATOM 703 N GLY A 42 -8.964 -6.716 -1.275 1.00 0.32 N ATOM 704 CA GLY A 42 -8.809 -5.298 -1.056 1.00 0.26 C ATOM 705 C GLY A 42 -7.469 -4.973 -0.467 1.00 0.18 C ATOM 706 O GLY A 42 -7.250 -3.878 0.033 1.00 0.18 O ATOM 0 H GLY A 42 -8.728 -7.304 -0.475 1.00 0.32 H new ATOM 0 HA2 GLY A 42 -8.930 -4.768 -2.001 1.00 0.26 H new ATOM 0 HA3 GLY A 42 -9.595 -4.944 -0.389 1.00 0.26 H new ATOM 710 N GLU A 43 -6.576 -5.943 -0.510 1.00 0.15 N ATOM 711 CA GLU A 43 -5.251 -5.773 0.046 1.00 0.12 C ATOM 712 C GLU A 43 -4.289 -5.396 -1.060 1.00 0.08 C ATOM 713 O GLU A 43 -4.007 -6.201 -1.948 1.00 0.09 O ATOM 714 CB GLU A 43 -4.797 -7.056 0.743 1.00 0.14 C ATOM 715 CG GLU A 43 -5.961 -7.889 1.251 1.00 0.53 C ATOM 716 CD GLU A 43 -5.637 -8.729 2.471 1.00 1.00 C ATOM 717 OE1 GLU A 43 -5.352 -8.152 3.540 1.00 1.30 O ATOM 718 OE2 GLU A 43 -5.714 -9.969 2.375 1.00 1.97 O ATOM 0 H GLU A 43 -6.746 -6.859 -0.926 1.00 0.15 H new ATOM 0 HA GLU A 43 -5.270 -4.976 0.789 1.00 0.12 H new ATOM 0 HB2 GLU A 43 -4.204 -7.652 0.049 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -4.146 -6.800 1.579 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -6.791 -7.225 1.491 1.00 0.53 H new ATOM 0 HG3 GLU A 43 -6.300 -8.546 0.450 1.00 0.53 H new ATOM 725 N VAL A 44 -3.828 -4.162 -1.021 1.00 0.07 N ATOM 726 CA VAL A 44 -2.866 -3.670 -1.986 1.00 0.07 C ATOM 727 C VAL A 44 -1.471 -3.910 -1.464 1.00 0.07 C ATOM 728 O VAL A 44 -1.177 -3.617 -0.318 1.00 0.08 O ATOM 729 CB VAL A 44 -3.010 -2.166 -2.260 1.00 0.09 C ATOM 730 CG1 VAL A 44 -2.395 -1.826 -3.606 1.00 0.14 C ATOM 731 CG2 VAL A 44 -4.465 -1.724 -2.195 1.00 0.12 C ATOM 0 H VAL A 44 -4.109 -3.474 -0.322 1.00 0.07 H new ATOM 0 HA VAL A 44 -3.052 -4.207 -2.916 1.00 0.07 H new ATOM 0 HB VAL A 44 -2.475 -1.622 -1.482 1.00 0.09 H new ATOM 0 HG11 VAL A 44 -2.500 -0.758 -3.795 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -1.338 -2.091 -3.600 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -2.905 -2.385 -4.391 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.530 -0.654 -2.394 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -5.044 -2.267 -2.942 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -4.865 -1.933 -1.203 1.00 0.12 H new ATOM 741 N ILE A 45 -0.625 -4.421 -2.309 1.00 0.08 N ATOM 742 CA ILE A 45 0.714 -4.784 -1.917 1.00 0.08 C ATOM 743 C ILE A 45 1.688 -3.832 -2.581 1.00 0.11 C ATOM 744 O ILE A 45 1.745 -3.774 -3.802 1.00 0.14 O ATOM 745 CB ILE A 45 1.039 -6.231 -2.329 1.00 0.09 C ATOM 746 CG1 ILE A 45 0.282 -7.245 -1.452 1.00 0.09 C ATOM 747 CG2 ILE A 45 2.540 -6.487 -2.260 1.00 0.11 C ATOM 748 CD1 ILE A 45 -1.223 -7.168 -1.518 1.00 0.08 C ATOM 0 H ILE A 45 -0.839 -4.600 -3.290 1.00 0.08 H new ATOM 0 HA ILE A 45 0.797 -4.717 -0.832 1.00 0.08 H new ATOM 0 HB ILE A 45 0.710 -6.364 -3.360 1.00 0.09 H new ATOM 0 HG12 ILE A 45 0.590 -8.250 -1.742 1.00 0.09 H new ATOM 0 HG13 ILE A 45 0.590 -7.104 -0.416 1.00 0.09 H new ATOM 0 HG21 ILE A 45 2.748 -7.516 -2.555 1.00 0.11 H new ATOM 0 HG22 ILE A 45 3.057 -5.805 -2.935 1.00 0.11 H new ATOM 0 HG23 ILE A 45 2.890 -6.324 -1.241 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.655 -7.925 -0.863 1.00 0.08 H new ATOM 0 HD12 ILE A 45 -1.551 -6.180 -1.196 1.00 0.08 H new ATOM 0 HD13 ILE A 45 -1.552 -7.344 -2.542 1.00 0.08 H new ATOM 760 N LEU A 46 2.401 -3.068 -1.777 1.00 0.11 N ATOM 761 CA LEU A 46 3.389 -2.107 -2.265 1.00 0.13 C ATOM 762 C LEU A 46 4.790 -2.611 -1.960 1.00 0.11 C ATOM 763 O LEU A 46 5.127 -2.781 -0.798 1.00 0.17 O ATOM 764 CB LEU A 46 3.207 -0.758 -1.563 1.00 0.20 C ATOM 765 CG LEU A 46 1.802 -0.475 -1.053 1.00 0.14 C ATOM 766 CD1 LEU A 46 1.829 0.723 -0.121 1.00 0.19 C ATOM 767 CD2 LEU A 46 0.849 -0.231 -2.211 1.00 0.23 C ATOM 0 H LEU A 46 2.316 -3.091 -0.761 1.00 0.11 H new ATOM 0 HA LEU A 46 3.251 -1.990 -3.340 1.00 0.13 H new ATOM 0 HB2 LEU A 46 3.898 -0.709 -0.721 1.00 0.20 H new ATOM 0 HB3 LEU A 46 3.491 0.035 -2.255 1.00 0.20 H new ATOM 0 HG LEU A 46 1.444 -1.345 -0.502 1.00 0.14 H new ATOM 0 HD11 LEU A 46 0.821 0.924 0.243 1.00 0.19 H new ATOM 0 HD12 LEU A 46 2.485 0.512 0.724 1.00 0.19 H new ATOM 0 HD13 LEU A 46 2.200 1.595 -0.660 1.00 0.19 H new ATOM 0 HD21 LEU A 46 -0.150 -0.031 -1.824 1.00 0.23 H new ATOM 0 HD22 LEU A 46 1.192 0.626 -2.790 1.00 0.23 H new ATOM 0 HD23 LEU A 46 0.820 -1.113 -2.851 1.00 0.23 H new ATOM 779 N LYS A 47 5.615 -2.853 -2.972 1.00 0.15 N ATOM 780 CA LYS A 47 6.982 -3.297 -2.680 1.00 0.27 C ATOM 781 C LYS A 47 8.045 -2.494 -3.423 1.00 0.16 C ATOM 782 O LYS A 47 7.837 -2.061 -4.540 1.00 0.15 O ATOM 783 CB LYS A 47 7.148 -4.799 -2.930 1.00 0.63 C ATOM 784 CG LYS A 47 7.774 -5.197 -4.263 1.00 0.29 C ATOM 785 CD LYS A 47 6.828 -5.004 -5.435 1.00 0.55 C ATOM 786 CE LYS A 47 5.496 -5.705 -5.215 1.00 0.69 C ATOM 787 NZ LYS A 47 5.173 -6.628 -6.331 1.00 0.76 N ATOM 0 H LYS A 47 5.382 -2.757 -3.960 1.00 0.15 H new ATOM 0 HA LYS A 47 7.140 -3.108 -1.618 1.00 0.27 H new ATOM 0 HB2 LYS A 47 7.758 -5.214 -2.128 1.00 0.63 H new ATOM 0 HB3 LYS A 47 6.167 -5.268 -2.859 1.00 0.63 H new ATOM 0 HG2 LYS A 47 8.675 -4.606 -4.427 1.00 0.29 H new ATOM 0 HG3 LYS A 47 8.082 -6.242 -4.218 1.00 0.29 H new ATOM 0 HD2 LYS A 47 6.656 -3.939 -5.590 1.00 0.55 H new ATOM 0 HD3 LYS A 47 7.293 -5.387 -6.343 1.00 0.55 H new ATOM 0 HE2 LYS A 47 5.528 -6.262 -4.279 1.00 0.69 H new ATOM 0 HE3 LYS A 47 4.705 -4.962 -5.117 1.00 0.69 H new ATOM 0 HZ1 LYS A 47 4.168 -6.891 -6.284 1.00 0.76 H new ATOM 0 HZ2 LYS A 47 5.365 -6.157 -7.238 1.00 0.76 H new ATOM 0 HZ3 LYS A 47 5.759 -7.484 -6.254 1.00 0.76 H new ATOM 801 N LYS A 48 9.189 -2.380 -2.765 1.00 0.19 N ATOM 802 CA LYS A 48 10.349 -1.539 -3.139 1.00 0.15 C ATOM 803 C LYS A 48 10.678 -1.380 -4.644 1.00 0.14 C ATOM 804 O LYS A 48 11.429 -0.480 -5.005 1.00 0.17 O ATOM 805 CB LYS A 48 11.556 -2.142 -2.454 1.00 0.17 C ATOM 806 CG LYS A 48 11.518 -3.659 -2.486 1.00 0.19 C ATOM 807 CD LYS A 48 11.837 -4.260 -1.132 1.00 0.20 C ATOM 808 CE LYS A 48 13.272 -3.988 -0.719 1.00 0.21 C ATOM 809 NZ LYS A 48 13.647 -4.730 0.514 1.00 0.32 N ATOM 0 H LYS A 48 9.357 -2.897 -1.902 1.00 0.19 H new ATOM 0 HA LYS A 48 10.084 -0.529 -2.827 1.00 0.15 H new ATOM 0 HB2 LYS A 48 12.465 -1.790 -2.942 1.00 0.17 H new ATOM 0 HB3 LYS A 48 11.596 -1.800 -1.420 1.00 0.17 H new ATOM 0 HG2 LYS A 48 10.531 -3.991 -2.807 1.00 0.19 H new ATOM 0 HG3 LYS A 48 12.233 -4.025 -3.223 1.00 0.19 H new ATOM 0 HD2 LYS A 48 11.159 -3.850 -0.383 1.00 0.20 H new ATOM 0 HD3 LYS A 48 11.665 -5.336 -1.162 1.00 0.20 H new ATOM 0 HE2 LYS A 48 13.943 -4.271 -1.530 1.00 0.21 H new ATOM 0 HE3 LYS A 48 13.405 -2.919 -0.553 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 14.525 -5.261 0.346 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 13.793 -4.057 1.293 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 12.885 -5.392 0.766 1.00 0.32 H new ATOM 823 N TYR A 49 10.194 -2.280 -5.489 1.00 0.14 N ATOM 824 CA TYR A 49 10.388 -2.211 -6.950 1.00 0.16 C ATOM 825 C TYR A 49 11.801 -2.600 -7.378 1.00 0.17 C ATOM 826 O TYR A 49 11.977 -3.457 -8.238 1.00 0.24 O ATOM 827 CB TYR A 49 10.096 -0.829 -7.519 1.00 0.19 C ATOM 828 CG TYR A 49 10.434 -0.695 -8.993 1.00 0.24 C ATOM 829 CD1 TYR A 49 9.967 -1.618 -9.923 1.00 1.03 C ATOM 830 CD2 TYR A 49 11.236 0.343 -9.450 1.00 1.22 C ATOM 831 CE1 TYR A 49 10.283 -1.506 -11.263 1.00 1.01 C ATOM 832 CE2 TYR A 49 11.558 0.461 -10.789 1.00 1.28 C ATOM 833 CZ TYR A 49 11.078 -0.465 -11.690 1.00 0.40 C ATOM 834 OH TYR A 49 11.401 -0.354 -13.025 1.00 0.49 O ATOM 0 H TYR A 49 9.650 -3.089 -5.188 1.00 0.14 H new ATOM 0 HA TYR A 49 9.673 -2.930 -7.349 1.00 0.16 H new ATOM 0 HB2 TYR A 49 9.040 -0.602 -7.375 1.00 0.19 H new ATOM 0 HB3 TYR A 49 10.662 -0.086 -6.956 1.00 0.19 H new ATOM 0 HD1 TYR A 49 9.346 -2.437 -9.591 1.00 1.03 H new ATOM 0 HD2 TYR A 49 11.614 1.070 -8.747 1.00 1.22 H new ATOM 0 HE1 TYR A 49 9.909 -2.230 -11.972 1.00 1.01 H new ATOM 0 HE2 TYR A 49 12.182 1.275 -11.127 1.00 1.28 H new ATOM 0 HH TYR A 49 11.967 0.435 -13.160 1.00 0.49 H new ATOM 844 N SER A 50 12.799 -1.937 -6.797 1.00 0.19 N ATOM 845 CA SER A 50 14.193 -2.107 -7.205 1.00 0.25 C ATOM 846 C SER A 50 14.592 -3.595 -7.217 1.00 0.28 C ATOM 847 O SER A 50 15.094 -4.089 -8.225 1.00 0.34 O ATOM 848 CB SER A 50 15.114 -1.274 -6.296 1.00 0.37 C ATOM 849 OG SER A 50 16.399 -1.092 -6.875 1.00 1.36 O ATOM 0 H SER A 50 12.666 -1.271 -6.036 1.00 0.19 H new ATOM 0 HA SER A 50 14.306 -1.742 -8.226 1.00 0.25 H new ATOM 0 HB2 SER A 50 14.658 -0.302 -6.109 1.00 0.37 H new ATOM 0 HB3 SER A 50 15.217 -1.769 -5.330 1.00 0.37 H new ATOM 0 HG SER A 50 16.957 -0.558 -6.272 1.00 1.36 H new ATOM 855 N PRO A 51 14.381 -4.338 -6.112 1.00 0.32 N ATOM 856 CA PRO A 51 14.531 -5.790 -6.106 1.00 0.42 C ATOM 857 C PRO A 51 13.208 -6.490 -6.388 1.00 0.45 C ATOM 858 O PRO A 51 13.070 -7.692 -6.169 1.00 0.58 O ATOM 859 CB PRO A 51 14.958 -6.063 -4.680 1.00 0.52 C ATOM 860 CG PRO A 51 14.206 -5.053 -3.881 1.00 0.46 C ATOM 861 CD PRO A 51 14.032 -3.842 -4.767 1.00 0.36 C ATOM 0 HA PRO A 51 15.226 -6.148 -6.865 1.00 0.42 H new ATOM 0 HB2 PRO A 51 14.708 -7.079 -4.376 1.00 0.52 H new ATOM 0 HB3 PRO A 51 16.035 -5.949 -4.557 1.00 0.52 H new ATOM 0 HG2 PRO A 51 13.239 -5.448 -3.570 1.00 0.46 H new ATOM 0 HG3 PRO A 51 14.751 -4.794 -2.973 1.00 0.46 H new ATOM 0 HD2 PRO A 51 13.010 -3.464 -4.732 1.00 0.36 H new ATOM 0 HD3 PRO A 51 14.684 -3.025 -4.460 1.00 0.36 H new ATOM 869 N ILE A 52 12.245 -5.715 -6.876 1.00 0.37 N ATOM 870 CA ILE A 52 10.893 -6.195 -7.144 1.00 0.46 C ATOM 871 C ILE A 52 10.349 -6.927 -5.917 1.00 0.61 C ATOM 872 O ILE A 52 10.650 -6.542 -4.783 1.00 0.61 O ATOM 873 CB ILE A 52 10.865 -7.108 -8.395 1.00 0.62 C ATOM 874 CG1 ILE A 52 12.072 -6.806 -9.295 1.00 0.51 C ATOM 875 CG2 ILE A 52 9.570 -6.880 -9.170 1.00 0.78 C ATOM 876 CD1 ILE A 52 12.207 -7.734 -10.482 1.00 0.69 C ATOM 0 H ILE A 52 12.381 -4.729 -7.098 1.00 0.37 H new ATOM 0 HA ILE A 52 10.252 -5.338 -7.351 1.00 0.46 H new ATOM 0 HB ILE A 52 10.914 -8.149 -8.076 1.00 0.62 H new ATOM 0 HG12 ILE A 52 11.994 -5.781 -9.657 1.00 0.51 H new ATOM 0 HG13 ILE A 52 12.981 -6.865 -8.697 1.00 0.51 H new ATOM 0 HG21 ILE A 52 9.554 -7.524 -10.049 1.00 0.78 H new ATOM 0 HG22 ILE A 52 8.718 -7.115 -8.532 1.00 0.78 H new ATOM 0 HG23 ILE A 52 9.512 -5.837 -9.483 1.00 0.78 H new ATOM 0 HD11 ILE A 52 13.084 -7.453 -11.066 1.00 0.69 H new ATOM 0 HD12 ILE A 52 12.319 -8.760 -10.131 1.00 0.69 H new ATOM 0 HD13 ILE A 52 11.316 -7.659 -11.106 1.00 0.69 H new ATOM 976 N ALA B 3 -3.137 -7.313 -9.085 1.00 0.51 N ATOM 977 CA ALA B 3 -1.765 -7.263 -9.592 1.00 0.33 C ATOM 978 C ALA B 3 -1.607 -6.162 -10.624 1.00 0.42 C ATOM 979 O ALA B 3 -1.564 -6.411 -11.828 1.00 0.86 O ATOM 980 CB ALA B 3 -1.331 -8.604 -10.159 1.00 0.48 C ATOM 0 HA ALA B 3 -1.112 -7.035 -8.749 1.00 0.33 H new ATOM 0 HB1 ALA B 3 -0.307 -8.530 -10.526 1.00 0.48 H new ATOM 0 HB2 ALA B 3 -1.382 -9.363 -9.378 1.00 0.48 H new ATOM 0 HB3 ALA B 3 -1.992 -8.883 -10.980 1.00 0.48 H new ATOM 986 N THR B 4 -1.537 -4.942 -10.136 1.00 0.24 N ATOM 987 CA THR B 4 -1.523 -3.784 -10.998 1.00 0.26 C ATOM 988 C THR B 4 -0.106 -3.354 -11.366 1.00 0.30 C ATOM 989 O THR B 4 0.120 -2.794 -12.438 1.00 0.43 O ATOM 990 CB THR B 4 -2.301 -2.637 -10.343 1.00 0.26 C ATOM 991 OG1 THR B 4 -1.876 -2.471 -8.983 1.00 0.27 O ATOM 992 CG2 THR B 4 -3.794 -2.928 -10.357 1.00 0.26 C ATOM 0 H THR B 4 -1.489 -4.728 -9.140 1.00 0.24 H new ATOM 0 HA THR B 4 -2.014 -4.056 -11.932 1.00 0.26 H new ATOM 0 HB THR B 4 -2.105 -1.726 -10.909 1.00 0.26 H new ATOM 0 HG1 THR B 4 -0.897 -2.436 -8.948 1.00 0.27 H new ATOM 0 HG21 THR B 4 -4.330 -2.103 -9.888 1.00 0.26 H new ATOM 0 HG22 THR B 4 -4.133 -3.042 -11.387 1.00 0.26 H new ATOM 0 HG23 THR B 4 -3.991 -3.848 -9.806 1.00 0.26 H new ATOM 1000 N GLY B 5 0.831 -3.629 -10.467 1.00 0.23 N ATOM 1001 CA GLY B 5 2.233 -3.368 -10.728 1.00 0.25 C ATOM 1002 C GLY B 5 2.511 -1.919 -11.073 1.00 0.26 C ATOM 1003 O GLY B 5 3.191 -1.624 -12.057 1.00 0.33 O ATOM 0 H GLY B 5 0.640 -4.033 -9.550 1.00 0.23 H new ATOM 0 HA2 GLY B 5 2.818 -3.646 -9.851 1.00 0.25 H new ATOM 0 HA3 GLY B 5 2.568 -4.002 -11.549 1.00 0.25 H new ATOM 1007 N ILE B 6 1.969 -1.013 -10.279 1.00 0.21 N ATOM 1008 CA ILE B 6 2.223 0.406 -10.464 1.00 0.22 C ATOM 1009 C ILE B 6 3.135 0.910 -9.357 1.00 0.19 C ATOM 1010 O ILE B 6 2.743 0.993 -8.204 1.00 0.16 O ATOM 1011 CB ILE B 6 0.914 1.244 -10.527 1.00 0.23 C ATOM 1012 CG1 ILE B 6 1.187 2.733 -10.263 1.00 0.26 C ATOM 1013 CG2 ILE B 6 -0.127 0.713 -9.552 1.00 0.21 C ATOM 1014 CD1 ILE B 6 2.099 3.392 -11.278 1.00 0.30 C ATOM 0 H ILE B 6 1.350 -1.234 -9.499 1.00 0.21 H new ATOM 0 HA ILE B 6 2.716 0.532 -11.428 1.00 0.22 H new ATOM 0 HB ILE B 6 0.517 1.148 -11.538 1.00 0.23 H new ATOM 0 HG12 ILE B 6 0.237 3.267 -10.246 1.00 0.26 H new ATOM 0 HG13 ILE B 6 1.630 2.839 -9.272 1.00 0.26 H new ATOM 0 HG21 ILE B 6 -1.031 1.319 -9.619 1.00 0.21 H new ATOM 0 HG22 ILE B 6 -0.364 -0.321 -9.801 1.00 0.21 H new ATOM 0 HG23 ILE B 6 0.267 0.761 -8.537 1.00 0.21 H new ATOM 0 HD11 ILE B 6 2.238 4.441 -11.016 1.00 0.30 H new ATOM 0 HD12 ILE B 6 3.065 2.888 -11.280 1.00 0.30 H new ATOM 0 HD13 ILE B 6 1.651 3.322 -12.269 1.00 0.30 H new ATOM 1026 N VAL B 7 4.357 1.219 -9.725 1.00 0.24 N ATOM 1027 CA VAL B 7 5.352 1.669 -8.768 1.00 0.22 C ATOM 1028 C VAL B 7 5.165 3.151 -8.448 1.00 0.24 C ATOM 1029 O VAL B 7 4.946 3.968 -9.346 1.00 0.27 O ATOM 1030 CB VAL B 7 6.779 1.388 -9.282 1.00 0.23 C ATOM 1031 CG1 VAL B 7 7.807 2.231 -8.541 1.00 0.24 C ATOM 1032 CG2 VAL B 7 7.090 -0.100 -9.136 1.00 0.23 C ATOM 0 H VAL B 7 4.692 1.168 -10.687 1.00 0.24 H new ATOM 0 HA VAL B 7 5.214 1.106 -7.845 1.00 0.22 H new ATOM 0 HB VAL B 7 6.832 1.662 -10.336 1.00 0.23 H new ATOM 0 HG11 VAL B 7 8.803 2.011 -8.925 1.00 0.24 H new ATOM 0 HG12 VAL B 7 7.586 3.288 -8.690 1.00 0.24 H new ATOM 0 HG13 VAL B 7 7.769 1.999 -7.477 1.00 0.24 H new ATOM 0 HG21 VAL B 7 8.098 -0.298 -9.499 1.00 0.23 H new ATOM 0 HG22 VAL B 7 7.020 -0.385 -8.086 1.00 0.23 H new ATOM 0 HG23 VAL B 7 6.374 -0.680 -9.718 1.00 0.23 H new ATOM 1042 N ARG B 8 5.241 3.484 -7.162 1.00 0.23 N ATOM 1043 CA ARG B 8 5.117 4.841 -6.669 1.00 0.25 C ATOM 1044 C ARG B 8 6.322 5.114 -5.778 1.00 0.23 C ATOM 1045 O ARG B 8 6.468 4.499 -4.722 1.00 0.26 O ATOM 1046 CB ARG B 8 3.798 5.003 -5.868 1.00 0.29 C ATOM 1047 CG ARG B 8 3.843 5.984 -4.677 1.00 0.27 C ATOM 1048 CD ARG B 8 4.343 7.349 -5.094 1.00 0.24 C ATOM 1049 NE ARG B 8 4.072 8.403 -4.125 1.00 0.99 N ATOM 1050 CZ ARG B 8 3.796 9.660 -4.481 1.00 0.92 C ATOM 1051 NH1 ARG B 8 3.559 9.947 -5.755 1.00 0.53 N ATOM 1052 NH2 ARG B 8 3.731 10.618 -3.566 1.00 1.69 N ATOM 0 H ARG B 8 5.394 2.798 -6.422 1.00 0.23 H new ATOM 0 HA ARG B 8 5.088 5.550 -7.496 1.00 0.25 H new ATOM 0 HB2 ARG B 8 3.018 5.332 -6.554 1.00 0.29 H new ATOM 0 HB3 ARG B 8 3.501 4.023 -5.494 1.00 0.29 H new ATOM 0 HG2 ARG B 8 2.847 6.078 -4.245 1.00 0.27 H new ATOM 0 HG3 ARG B 8 4.491 5.581 -3.898 1.00 0.27 H new ATOM 0 HD2 ARG B 8 5.418 7.294 -5.264 1.00 0.24 H new ATOM 0 HD3 ARG B 8 3.883 7.618 -6.045 1.00 0.24 H new ATOM 0 HE ARG B 8 4.094 8.171 -3.132 1.00 0.99 H new ATOM 0 HH11 ARG B 8 3.588 9.209 -6.458 1.00 0.53 H new ATOM 0 HH12 ARG B 8 3.348 10.906 -6.031 1.00 0.53 H new ATOM 0 HH21 ARG B 8 3.892 10.397 -2.583 1.00 1.69 H new ATOM 0 HH22 ARG B 8 3.520 11.576 -3.845 1.00 1.69 H new ATOM 1066 N ARG B 9 7.198 6.005 -6.205 1.00 0.20 N ATOM 1067 CA ARG B 9 8.305 6.402 -5.359 1.00 0.19 C ATOM 1068 C ARG B 9 7.795 7.386 -4.347 1.00 0.20 C ATOM 1069 O ARG B 9 7.553 8.541 -4.690 1.00 0.21 O ATOM 1070 CB ARG B 9 9.431 7.039 -6.161 1.00 0.18 C ATOM 1071 CG ARG B 9 10.732 7.167 -5.406 1.00 0.24 C ATOM 1072 CD ARG B 9 11.881 7.371 -6.381 1.00 0.62 C ATOM 1073 NE ARG B 9 13.128 7.745 -5.727 1.00 1.35 N ATOM 1074 CZ ARG B 9 14.271 7.083 -5.889 1.00 1.74 C ATOM 1075 NH1 ARG B 9 14.313 6.002 -6.658 1.00 1.51 N ATOM 1076 NH2 ARG B 9 15.376 7.505 -5.290 1.00 2.71 N ATOM 0 H ARG B 9 7.166 6.460 -7.117 1.00 0.20 H new ATOM 0 HA ARG B 9 8.709 5.513 -4.874 1.00 0.19 H new ATOM 0 HB2 ARG B 9 9.602 6.447 -7.060 1.00 0.18 H new ATOM 0 HB3 ARG B 9 9.114 8.030 -6.488 1.00 0.18 H new ATOM 0 HG2 ARG B 9 10.679 8.007 -4.713 1.00 0.24 H new ATOM 0 HG3 ARG B 9 10.905 6.272 -4.809 1.00 0.24 H new ATOM 0 HD2 ARG B 9 12.036 6.453 -6.947 1.00 0.62 H new ATOM 0 HD3 ARG B 9 11.608 8.145 -7.098 1.00 0.62 H new ATOM 0 HE ARG B 9 13.125 8.558 -5.112 1.00 1.35 H new ATOM 0 HH11 ARG B 9 13.468 5.676 -7.127 1.00 1.51 H new ATOM 0 HH12 ARG B 9 15.191 5.497 -6.780 1.00 1.51 H new ATOM 0 HH21 ARG B 9 15.351 8.339 -4.703 1.00 2.71 H new ATOM 0 HH22 ARG B 9 16.251 6.996 -5.416 1.00 2.71 H new ATOM 1090 N ILE B 10 7.640 6.889 -3.124 1.00 0.22 N ATOM 1091 CA ILE B 10 7.101 7.632 -1.972 1.00 0.25 C ATOM 1092 C ILE B 10 7.053 9.154 -2.158 1.00 0.30 C ATOM 1093 O ILE B 10 6.165 9.650 -2.831 1.00 0.34 O ATOM 1094 CB ILE B 10 7.885 7.275 -0.685 1.00 0.23 C ATOM 1095 CG1 ILE B 10 9.364 6.930 -0.988 1.00 0.22 C ATOM 1096 CG2 ILE B 10 7.201 6.111 -0.002 1.00 0.21 C ATOM 1097 CD1 ILE B 10 10.051 7.885 -1.931 1.00 0.23 C ATOM 0 H ILE B 10 7.892 5.928 -2.892 1.00 0.22 H new ATOM 0 HA ILE B 10 6.062 7.314 -1.883 1.00 0.25 H new ATOM 0 HB ILE B 10 7.889 8.145 -0.028 1.00 0.23 H new ATOM 0 HG12 ILE B 10 9.917 6.906 -0.049 1.00 0.22 H new ATOM 0 HG13 ILE B 10 9.410 5.926 -1.411 1.00 0.22 H new ATOM 0 HG21 ILE B 10 7.745 5.851 0.906 1.00 0.21 H new ATOM 0 HG22 ILE B 10 6.179 6.389 0.255 1.00 0.21 H new ATOM 0 HG23 ILE B 10 7.186 5.253 -0.674 1.00 0.21 H new ATOM 0 HD11 ILE B 10 11.082 7.566 -2.085 1.00 0.23 H new ATOM 0 HD12 ILE B 10 9.527 7.893 -2.887 1.00 0.23 H new ATOM 0 HD13 ILE B 10 10.042 8.888 -1.504 1.00 0.23 H new ATOM 1109 N ASP B 11 7.991 9.867 -1.542 1.00 0.32 N ATOM 1110 CA ASP B 11 8.161 11.309 -1.695 1.00 0.39 C ATOM 1111 C ASP B 11 8.913 11.785 -0.480 1.00 0.40 C ATOM 1112 O ASP B 11 9.508 10.971 0.207 1.00 0.42 O ATOM 1113 CB ASP B 11 6.835 12.089 -1.829 1.00 0.43 C ATOM 1114 CG ASP B 11 6.015 12.162 -0.552 1.00 0.33 C ATOM 1115 OD1 ASP B 11 5.437 11.139 -0.132 1.00 1.08 O ATOM 1116 OD2 ASP B 11 5.938 13.260 0.028 1.00 1.18 O ATOM 0 H ASP B 11 8.671 9.448 -0.907 1.00 0.32 H new ATOM 0 HA ASP B 11 8.698 11.497 -2.625 1.00 0.39 H new ATOM 0 HB2 ASP B 11 7.057 13.103 -2.162 1.00 0.43 H new ATOM 0 HB3 ASP B 11 6.231 11.623 -2.607 1.00 0.43 H new ATOM 1121 N ASP B 12 8.862 13.072 -0.190 1.00 0.44 N ATOM 1122 CA ASP B 12 9.599 13.613 0.950 1.00 0.47 C ATOM 1123 C ASP B 12 8.871 13.285 2.253 1.00 0.43 C ATOM 1124 O ASP B 12 9.445 13.335 3.341 1.00 0.63 O ATOM 1125 CB ASP B 12 9.800 15.124 0.798 1.00 0.58 C ATOM 1126 CG ASP B 12 10.619 15.720 1.928 1.00 1.42 C ATOM 1127 OD1 ASP B 12 11.784 15.303 2.116 1.00 2.39 O ATOM 1128 OD2 ASP B 12 10.095 16.602 2.640 1.00 1.78 O ATOM 0 H ASP B 12 8.326 13.760 -0.718 1.00 0.44 H new ATOM 0 HA ASP B 12 10.584 13.147 0.981 1.00 0.47 H new ATOM 0 HB2 ASP B 12 10.295 15.327 -0.151 1.00 0.58 H new ATOM 0 HB3 ASP B 12 8.827 15.614 0.761 1.00 0.58 H new ATOM 1133 N LEU B 13 7.603 12.930 2.125 1.00 0.34 N ATOM 1134 CA LEU B 13 6.794 12.533 3.262 1.00 0.28 C ATOM 1135 C LEU B 13 6.782 11.006 3.390 1.00 0.23 C ATOM 1136 O LEU B 13 7.234 10.460 4.398 1.00 0.25 O ATOM 1137 CB LEU B 13 5.373 13.093 3.102 1.00 0.27 C ATOM 1138 CG LEU B 13 4.495 13.074 4.357 1.00 0.29 C ATOM 1139 CD1 LEU B 13 3.963 11.680 4.631 1.00 0.32 C ATOM 1140 CD2 LEU B 13 5.275 13.595 5.552 1.00 0.40 C ATOM 0 H LEU B 13 7.109 12.909 1.233 1.00 0.34 H new ATOM 0 HA LEU B 13 7.222 12.941 4.178 1.00 0.28 H new ATOM 0 HB2 LEU B 13 5.448 14.122 2.751 1.00 0.27 H new ATOM 0 HB3 LEU B 13 4.867 12.526 2.321 1.00 0.27 H new ATOM 0 HG LEU B 13 3.640 13.728 4.185 1.00 0.29 H new ATOM 0 HD11 LEU B 13 3.343 11.697 5.528 1.00 0.32 H new ATOM 0 HD12 LEU B 13 3.365 11.345 3.783 1.00 0.32 H new ATOM 0 HD13 LEU B 13 4.798 10.995 4.780 1.00 0.32 H new ATOM 0 HD21 LEU B 13 4.640 13.576 6.437 1.00 0.40 H new ATOM 0 HD22 LEU B 13 6.149 12.965 5.719 1.00 0.40 H new ATOM 0 HD23 LEU B 13 5.597 14.618 5.358 1.00 0.40 H new ATOM 1152 N GLY B 14 6.268 10.321 2.371 1.00 0.21 N ATOM 1153 CA GLY B 14 6.225 8.876 2.406 1.00 0.18 C ATOM 1154 C GLY B 14 4.884 8.320 1.961 1.00 0.17 C ATOM 1155 O GLY B 14 4.517 7.210 2.327 1.00 0.20 O ATOM 0 H GLY B 14 5.883 10.743 1.526 1.00 0.21 H new ATOM 0 HA2 GLY B 14 7.010 8.477 1.764 1.00 0.18 H new ATOM 0 HA3 GLY B 14 6.437 8.534 3.419 1.00 0.18 H new ATOM 1159 N ARG B 15 4.146 9.085 1.170 1.00 0.18 N ATOM 1160 CA ARG B 15 2.841 8.636 0.694 1.00 0.20 C ATOM 1161 C ARG B 15 2.984 7.648 -0.439 1.00 0.18 C ATOM 1162 O ARG B 15 3.895 7.741 -1.262 1.00 0.20 O ATOM 1163 CB ARG B 15 2.005 9.792 0.164 1.00 0.29 C ATOM 1164 CG ARG B 15 1.633 10.834 1.185 1.00 0.24 C ATOM 1165 CD ARG B 15 1.570 12.176 0.507 1.00 0.42 C ATOM 1166 NE ARG B 15 1.251 13.269 1.423 1.00 0.52 N ATOM 1167 CZ ARG B 15 1.366 14.557 1.100 1.00 0.51 C ATOM 1168 NH1 ARG B 15 1.838 14.905 -0.089 1.00 0.87 N ATOM 1169 NH2 ARG B 15 1.019 15.499 1.969 1.00 0.90 N ATOM 0 H ARG B 15 4.423 10.011 0.845 1.00 0.18 H new ATOM 0 HA ARG B 15 2.352 8.177 1.553 1.00 0.20 H new ATOM 0 HB2 ARG B 15 2.554 10.277 -0.643 1.00 0.29 H new ATOM 0 HB3 ARG B 15 1.090 9.389 -0.270 1.00 0.29 H new ATOM 0 HG2 ARG B 15 0.670 10.594 1.636 1.00 0.24 H new ATOM 0 HG3 ARG B 15 2.367 10.852 1.991 1.00 0.24 H new ATOM 0 HD2 ARG B 15 2.528 12.379 0.028 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.820 12.142 -0.283 1.00 0.42 H new ATOM 0 HE ARG B 15 0.923 13.034 2.360 1.00 0.52 H new ATOM 0 HH11 ARG B 15 2.114 14.187 -0.758 1.00 0.87 H new ATOM 0 HH12 ARG B 15 1.925 15.891 -0.334 1.00 0.87 H new ATOM 0 HH21 ARG B 15 0.663 15.238 2.888 1.00 0.90 H new ATOM 0 HH22 ARG B 15 1.109 16.483 1.717 1.00 0.90 H new ATOM 1183 N VAL B 16 2.056 6.725 -0.494 1.00 0.18 N ATOM 1184 CA VAL B 16 1.913 5.872 -1.644 1.00 0.19 C ATOM 1185 C VAL B 16 0.590 6.196 -2.300 1.00 0.17 C ATOM 1186 O VAL B 16 -0.465 5.776 -1.835 1.00 0.20 O ATOM 1187 CB VAL B 16 1.982 4.383 -1.264 1.00 0.27 C ATOM 1188 CG1 VAL B 16 1.721 3.510 -2.473 1.00 1.15 C ATOM 1189 CG2 VAL B 16 3.337 4.053 -0.658 1.00 1.27 C ATOM 0 H VAL B 16 1.384 6.546 0.252 1.00 0.18 H new ATOM 0 HA VAL B 16 2.737 6.053 -2.334 1.00 0.19 H new ATOM 0 HB VAL B 16 1.209 4.183 -0.522 1.00 0.27 H new ATOM 0 HG11 VAL B 16 1.774 2.461 -2.183 1.00 1.15 H new ATOM 0 HG12 VAL B 16 0.730 3.726 -2.871 1.00 1.15 H new ATOM 0 HG13 VAL B 16 2.471 3.713 -3.237 1.00 1.15 H new ATOM 0 HG21 VAL B 16 3.370 2.996 -0.394 1.00 1.27 H new ATOM 0 HG22 VAL B 16 4.122 4.271 -1.382 1.00 1.27 H new ATOM 0 HG23 VAL B 16 3.492 4.655 0.237 1.00 1.27 H new ATOM 1199 N VAL B 17 0.657 6.990 -3.348 1.00 0.18 N ATOM 1200 CA VAL B 17 -0.541 7.491 -3.989 1.00 0.19 C ATOM 1201 C VAL B 17 -1.301 6.344 -4.629 1.00 0.19 C ATOM 1202 O VAL B 17 -0.870 5.794 -5.642 1.00 0.22 O ATOM 1203 CB VAL B 17 -0.224 8.552 -5.056 1.00 0.23 C ATOM 1204 CG1 VAL B 17 -1.502 9.080 -5.689 1.00 0.27 C ATOM 1205 CG2 VAL B 17 0.588 9.686 -4.455 1.00 0.25 C ATOM 0 H VAL B 17 1.529 7.303 -3.775 1.00 0.18 H new ATOM 0 HA VAL B 17 -1.151 7.963 -3.218 1.00 0.19 H new ATOM 0 HB VAL B 17 0.371 8.082 -5.839 1.00 0.23 H new ATOM 0 HG11 VAL B 17 -1.253 9.829 -6.441 1.00 0.27 H new ATOM 0 HG12 VAL B 17 -2.041 8.258 -6.160 1.00 0.27 H new ATOM 0 HG13 VAL B 17 -2.129 9.532 -4.920 1.00 0.27 H new ATOM 0 HG21 VAL B 17 0.803 10.427 -5.225 1.00 0.25 H new ATOM 0 HG22 VAL B 17 0.021 10.153 -3.650 1.00 0.25 H new ATOM 0 HG23 VAL B 17 1.524 9.293 -4.058 1.00 0.25 H new ATOM 1215 N ILE B 18 -2.404 5.973 -4.006 1.00 0.19 N ATOM 1216 CA ILE B 18 -3.240 4.896 -4.493 1.00 0.20 C ATOM 1217 C ILE B 18 -4.281 5.434 -5.455 1.00 0.18 C ATOM 1218 O ILE B 18 -5.195 6.162 -5.064 1.00 0.18 O ATOM 1219 CB ILE B 18 -3.931 4.159 -3.324 1.00 0.24 C ATOM 1220 CG1 ILE B 18 -2.905 3.339 -2.536 1.00 0.39 C ATOM 1221 CG2 ILE B 18 -5.062 3.275 -3.843 1.00 0.25 C ATOM 1222 CD1 ILE B 18 -2.199 2.283 -3.359 1.00 0.82 C ATOM 0 H ILE B 18 -2.744 6.410 -3.149 1.00 0.19 H new ATOM 0 HA ILE B 18 -2.603 4.184 -5.018 1.00 0.20 H new ATOM 0 HB ILE B 18 -4.366 4.897 -2.650 1.00 0.24 H new ATOM 0 HG12 ILE B 18 -2.161 4.015 -2.115 1.00 0.39 H new ATOM 0 HG13 ILE B 18 -3.407 2.856 -1.698 1.00 0.39 H new ATOM 0 HG21 ILE B 18 -5.537 2.764 -3.006 1.00 0.25 H new ATOM 0 HG22 ILE B 18 -5.799 3.892 -4.357 1.00 0.25 H new ATOM 0 HG23 ILE B 18 -4.658 2.538 -4.537 1.00 0.25 H new ATOM 0 HD11 ILE B 18 -1.489 1.746 -2.730 1.00 0.82 H new ATOM 0 HD12 ILE B 18 -2.932 1.582 -3.758 1.00 0.82 H new ATOM 0 HD13 ILE B 18 -1.666 2.759 -4.182 1.00 0.82 H new ATOM 1234 N PRO B 19 -4.123 5.124 -6.742 1.00 0.21 N ATOM 1235 CA PRO B 19 -5.102 5.477 -7.758 1.00 0.23 C ATOM 1236 C PRO B 19 -6.496 4.996 -7.403 1.00 0.21 C ATOM 1237 O PRO B 19 -6.680 3.909 -6.846 1.00 0.21 O ATOM 1238 CB PRO B 19 -4.597 4.745 -8.987 1.00 0.28 C ATOM 1239 CG PRO B 19 -3.131 4.707 -8.790 1.00 0.30 C ATOM 1240 CD PRO B 19 -2.958 4.436 -7.326 1.00 0.27 C ATOM 0 HA PRO B 19 -5.192 6.556 -7.885 1.00 0.23 H new ATOM 0 HB2 PRO B 19 -5.018 3.742 -9.058 1.00 0.28 H new ATOM 0 HB3 PRO B 19 -4.865 5.269 -9.904 1.00 0.28 H new ATOM 0 HG2 PRO B 19 -2.669 3.927 -9.396 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -2.667 5.651 -9.077 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -2.963 3.368 -7.106 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -2.017 4.835 -6.947 1.00 0.27 H new ATOM 1248 N LYS B 20 -7.478 5.793 -7.758 1.00 0.23 N ATOM 1249 CA LYS B 20 -8.860 5.475 -7.476 1.00 0.23 C ATOM 1250 C LYS B 20 -9.307 4.227 -8.223 1.00 0.21 C ATOM 1251 O LYS B 20 -10.345 3.676 -7.917 1.00 0.22 O ATOM 1252 CB LYS B 20 -9.801 6.662 -7.759 1.00 0.28 C ATOM 1253 CG LYS B 20 -9.559 7.388 -9.077 1.00 0.39 C ATOM 1254 CD LYS B 20 -8.299 8.244 -9.030 1.00 0.53 C ATOM 1255 CE LYS B 20 -8.373 9.327 -7.953 1.00 0.90 C ATOM 1256 NZ LYS B 20 -9.499 10.277 -8.173 1.00 1.77 N ATOM 0 H LYS B 20 -7.343 6.677 -8.249 1.00 0.23 H new ATOM 0 HA LYS B 20 -8.923 5.266 -6.408 1.00 0.23 H new ATOM 0 HB2 LYS B 20 -10.829 6.300 -7.747 1.00 0.28 H new ATOM 0 HB3 LYS B 20 -9.706 7.381 -6.945 1.00 0.28 H new ATOM 0 HG2 LYS B 20 -9.473 6.659 -9.883 1.00 0.39 H new ATOM 0 HG3 LYS B 20 -10.418 8.018 -9.308 1.00 0.39 H new ATOM 0 HD2 LYS B 20 -7.436 7.606 -8.842 1.00 0.53 H new ATOM 0 HD3 LYS B 20 -8.144 8.712 -10.002 1.00 0.53 H new ATOM 0 HE2 LYS B 20 -8.485 8.856 -6.976 1.00 0.90 H new ATOM 0 HE3 LYS B 20 -7.434 9.880 -7.934 1.00 0.90 H new ATOM 0 HZ1 LYS B 20 -9.435 11.056 -7.487 1.00 1.77 H new ATOM 0 HZ2 LYS B 20 -9.447 10.660 -9.139 1.00 1.77 H new ATOM 0 HZ3 LYS B 20 -10.403 9.779 -8.047 1.00 1.77 H new ATOM 1270 N GLU B 21 -8.523 3.784 -9.201 1.00 0.21 N ATOM 1271 CA GLU B 21 -8.859 2.588 -9.972 1.00 0.20 C ATOM 1272 C GLU B 21 -8.842 1.308 -9.119 1.00 0.20 C ATOM 1273 O GLU B 21 -9.574 0.352 -9.413 1.00 0.20 O ATOM 1274 CB GLU B 21 -7.925 2.449 -11.172 1.00 0.23 C ATOM 1275 CG GLU B 21 -6.457 2.378 -10.806 1.00 0.47 C ATOM 1276 CD GLU B 21 -5.561 2.476 -12.019 1.00 1.08 C ATOM 1277 OE1 GLU B 21 -5.294 3.609 -12.469 1.00 1.53 O ATOM 1278 OE2 GLU B 21 -5.134 1.427 -12.538 1.00 1.92 O ATOM 0 H GLU B 21 -7.651 4.234 -9.480 1.00 0.21 H new ATOM 0 HA GLU B 21 -9.882 2.714 -10.327 1.00 0.20 H new ATOM 0 HB2 GLU B 21 -8.194 1.550 -11.727 1.00 0.23 H new ATOM 0 HB3 GLU B 21 -8.081 3.295 -11.841 1.00 0.23 H new ATOM 0 HG2 GLU B 21 -6.218 3.185 -10.113 1.00 0.47 H new ATOM 0 HG3 GLU B 21 -6.259 1.441 -10.285 1.00 0.47 H new ATOM 1285 N ILE B 22 -8.062 1.287 -8.037 1.00 0.22 N ATOM 1286 CA ILE B 22 -8.004 0.085 -7.210 1.00 0.25 C ATOM 1287 C ILE B 22 -9.105 0.184 -6.169 1.00 0.24 C ATOM 1288 O ILE B 22 -9.822 -0.774 -5.909 1.00 0.24 O ATOM 1289 CB ILE B 22 -6.636 -0.145 -6.509 1.00 0.32 C ATOM 1290 CG1 ILE B 22 -5.471 -0.042 -7.500 1.00 0.28 C ATOM 1291 CG2 ILE B 22 -6.617 -1.518 -5.839 1.00 0.44 C ATOM 1292 CD1 ILE B 22 -4.991 1.373 -7.744 1.00 0.25 C ATOM 0 H ILE B 22 -7.480 2.063 -7.721 1.00 0.22 H new ATOM 0 HA ILE B 22 -8.138 -0.772 -7.870 1.00 0.25 H new ATOM 0 HB ILE B 22 -6.513 0.635 -5.757 1.00 0.32 H new ATOM 0 HG12 ILE B 22 -4.638 -0.638 -7.128 1.00 0.28 H new ATOM 0 HG13 ILE B 22 -5.777 -0.480 -8.450 1.00 0.28 H new ATOM 0 HG21 ILE B 22 -5.655 -1.671 -5.350 1.00 0.44 H new ATOM 0 HG22 ILE B 22 -7.414 -1.572 -5.097 1.00 0.44 H new ATOM 0 HG23 ILE B 22 -6.769 -2.292 -6.591 1.00 0.44 H new ATOM 0 HD11 ILE B 22 -4.166 1.360 -8.456 1.00 0.25 H new ATOM 0 HD12 ILE B 22 -5.809 1.970 -8.147 1.00 0.25 H new ATOM 0 HD13 ILE B 22 -4.652 1.809 -6.804 1.00 0.25 H new ATOM 1304 N ARG B 23 -9.247 1.388 -5.614 1.00 0.24 N ATOM 1305 CA ARG B 23 -10.365 1.735 -4.739 1.00 0.23 C ATOM 1306 C ARG B 23 -11.674 1.513 -5.489 1.00 0.22 C ATOM 1307 O ARG B 23 -12.713 1.205 -4.905 1.00 0.23 O ATOM 1308 CB ARG B 23 -10.190 3.201 -4.284 1.00 0.26 C ATOM 1309 CG ARG B 23 -11.471 4.019 -4.139 1.00 0.50 C ATOM 1310 CD ARG B 23 -11.927 4.603 -5.467 1.00 0.35 C ATOM 1311 NE ARG B 23 -12.409 5.981 -5.347 1.00 0.85 N ATOM 1312 CZ ARG B 23 -13.358 6.517 -6.118 1.00 0.95 C ATOM 1313 NH1 ARG B 23 -14.001 5.778 -7.015 1.00 1.36 N ATOM 1314 NH2 ARG B 23 -13.668 7.797 -5.983 1.00 1.40 N ATOM 0 H ARG B 23 -8.587 2.152 -5.760 1.00 0.24 H new ATOM 0 HA ARG B 23 -10.387 1.104 -3.851 1.00 0.23 H new ATOM 0 HB2 ARG B 23 -9.672 3.203 -3.325 1.00 0.26 H new ATOM 0 HB3 ARG B 23 -9.540 3.706 -4.998 1.00 0.26 H new ATOM 0 HG2 ARG B 23 -12.260 3.388 -3.730 1.00 0.50 H new ATOM 0 HG3 ARG B 23 -11.307 4.826 -3.425 1.00 0.50 H new ATOM 0 HD2 ARG B 23 -11.099 4.573 -6.175 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -12.721 3.980 -5.879 1.00 0.35 H new ATOM 0 HE ARG B 23 -11.992 6.570 -4.626 1.00 0.85 H new ATOM 0 HH11 ARG B 23 -13.772 4.790 -7.120 1.00 1.36 H new ATOM 0 HH12 ARG B 23 -14.724 6.199 -7.598 1.00 1.36 H new ATOM 0 HH21 ARG B 23 -13.182 8.369 -5.292 1.00 1.40 H new ATOM 0 HH22 ARG B 23 -14.392 8.211 -6.570 1.00 1.40 H new ATOM 1328 N ARG B 24 -11.589 1.691 -6.793 1.00 0.22 N ATOM 1329 CA ARG B 24 -12.681 1.428 -7.706 1.00 0.25 C ATOM 1330 C ARG B 24 -13.071 -0.038 -7.677 1.00 0.26 C ATOM 1331 O ARG B 24 -14.241 -0.360 -7.473 1.00 0.28 O ATOM 1332 CB ARG B 24 -12.275 1.834 -9.120 1.00 0.29 C ATOM 1333 CG ARG B 24 -13.215 1.357 -10.201 1.00 0.42 C ATOM 1334 CD ARG B 24 -12.577 1.498 -11.572 1.00 0.55 C ATOM 1335 NE ARG B 24 -11.392 0.645 -11.698 1.00 1.47 N ATOM 1336 CZ ARG B 24 -10.887 0.229 -12.857 1.00 2.06 C ATOM 1337 NH1 ARG B 24 -11.429 0.626 -14.002 1.00 1.83 N ATOM 1338 NH2 ARG B 24 -9.830 -0.575 -12.865 1.00 3.19 N ATOM 0 H ARG B 24 -10.744 2.028 -7.254 1.00 0.22 H new ATOM 0 HA ARG B 24 -13.545 2.015 -7.393 1.00 0.25 H new ATOM 0 HB2 ARG B 24 -12.208 2.921 -9.168 1.00 0.29 H new ATOM 0 HB3 ARG B 24 -11.278 1.444 -9.325 1.00 0.29 H new ATOM 0 HG2 ARG B 24 -13.481 0.315 -10.024 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -14.140 1.932 -10.165 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -13.302 1.233 -12.342 1.00 0.55 H new ATOM 0 HD3 ARG B 24 -12.299 2.538 -11.741 1.00 0.55 H new ATOM 0 HE ARG B 24 -10.923 0.351 -10.841 1.00 1.47 H new ATOM 0 HH11 ARG B 24 -12.235 1.252 -13.995 1.00 1.83 H new ATOM 0 HH12 ARG B 24 -11.040 0.306 -14.889 1.00 1.83 H new ATOM 0 HH21 ARG B 24 -9.408 -0.872 -11.985 1.00 3.19 H new ATOM 0 HH22 ARG B 24 -9.440 -0.896 -13.751 1.00 3.19 H new ATOM 1352 N THR B 25 -12.104 -0.942 -7.873 1.00 0.26 N ATOM 1353 CA THR B 25 -12.372 -2.367 -7.738 1.00 0.29 C ATOM 1354 C THR B 25 -12.798 -2.700 -6.308 1.00 0.28 C ATOM 1355 O THR B 25 -13.607 -3.603 -6.071 1.00 0.33 O ATOM 1356 CB THR B 25 -11.118 -3.186 -8.104 1.00 0.32 C ATOM 1357 OG1 THR B 25 -10.640 -2.789 -9.398 1.00 0.35 O ATOM 1358 CG2 THR B 25 -11.417 -4.678 -8.101 1.00 0.40 C ATOM 0 H THR B 25 -11.142 -0.710 -8.122 1.00 0.26 H new ATOM 0 HA THR B 25 -13.182 -2.626 -8.420 1.00 0.29 H new ATOM 0 HB THR B 25 -10.351 -2.990 -7.354 1.00 0.32 H new ATOM 0 HG1 THR B 25 -9.842 -3.310 -9.626 1.00 0.35 H new ATOM 0 HG21 THR B 25 -10.515 -5.230 -8.363 1.00 0.40 H new ATOM 0 HG22 THR B 25 -11.752 -4.980 -7.109 1.00 0.40 H new ATOM 0 HG23 THR B 25 -12.199 -4.894 -8.829 1.00 0.40 H new ATOM 1366 N LEU B 26 -12.253 -1.941 -5.364 1.00 0.26 N ATOM 1367 CA LEU B 26 -12.607 -2.063 -3.958 1.00 0.26 C ATOM 1368 C LEU B 26 -14.070 -1.692 -3.736 1.00 0.26 C ATOM 1369 O LEU B 26 -14.662 -2.058 -2.721 1.00 0.29 O ATOM 1370 CB LEU B 26 -11.719 -1.147 -3.107 1.00 0.24 C ATOM 1371 CG LEU B 26 -10.611 -1.844 -2.318 1.00 0.27 C ATOM 1372 CD1 LEU B 26 -11.183 -3.001 -1.528 1.00 0.33 C ATOM 1373 CD2 LEU B 26 -9.502 -2.321 -3.240 1.00 0.27 C ATOM 0 H LEU B 26 -11.553 -1.224 -5.554 1.00 0.26 H new ATOM 0 HA LEU B 26 -12.454 -3.100 -3.660 1.00 0.26 H new ATOM 0 HB2 LEU B 26 -11.262 -0.405 -3.761 1.00 0.24 H new ATOM 0 HB3 LEU B 26 -12.354 -0.606 -2.406 1.00 0.24 H new ATOM 0 HG LEU B 26 -10.180 -1.124 -1.623 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -10.385 -3.490 -0.970 1.00 0.33 H new ATOM 0 HD12 LEU B 26 -11.937 -2.630 -0.834 1.00 0.33 H new ATOM 0 HD13 LEU B 26 -11.640 -3.717 -2.211 1.00 0.33 H new ATOM 0 HD21 LEU B 26 -8.727 -2.813 -2.653 1.00 0.27 H new ATOM 0 HD22 LEU B 26 -9.910 -3.025 -3.965 1.00 0.27 H new ATOM 0 HD23 LEU B 26 -9.073 -1.467 -3.765 1.00 0.27 H new ATOM 1385 N ARG B 27 -14.632 -0.957 -4.697 1.00 0.27 N ATOM 1386 CA ARG B 27 -16.007 -0.468 -4.629 1.00 0.32 C ATOM 1387 C ARG B 27 -16.132 0.580 -3.526 1.00 0.31 C ATOM 1388 O ARG B 27 -17.216 0.858 -3.016 1.00 0.34 O ATOM 1389 CB ARG B 27 -16.985 -1.626 -4.406 1.00 0.37 C ATOM 1390 CG ARG B 27 -18.350 -1.396 -5.032 1.00 0.75 C ATOM 1391 CD ARG B 27 -18.237 -1.182 -6.535 1.00 1.00 C ATOM 1392 NE ARG B 27 -19.544 -1.015 -7.169 1.00 1.79 N ATOM 1393 CZ ARG B 27 -19.725 -0.499 -8.386 1.00 2.41 C ATOM 1394 NH1 ARG B 27 -18.690 -0.043 -9.083 1.00 2.67 N ATOM 1395 NH2 ARG B 27 -20.944 -0.434 -8.902 1.00 3.28 N ATOM 0 H ARG B 27 -14.142 -0.684 -5.549 1.00 0.27 H new ATOM 0 HA ARG B 27 -16.263 -0.000 -5.580 1.00 0.32 H new ATOM 0 HB2 ARG B 27 -16.555 -2.539 -4.818 1.00 0.37 H new ATOM 0 HB3 ARG B 27 -17.108 -1.786 -3.335 1.00 0.37 H new ATOM 0 HG2 ARG B 27 -18.994 -2.252 -4.831 1.00 0.75 H new ATOM 0 HG3 ARG B 27 -18.822 -0.527 -4.573 1.00 0.75 H new ATOM 0 HD2 ARG B 27 -17.625 -0.301 -6.730 1.00 1.00 H new ATOM 0 HD3 ARG B 27 -17.723 -2.032 -6.984 1.00 1.00 H new ATOM 0 HE ARG B 27 -20.369 -1.312 -6.648 1.00 1.79 H new ATOM 0 HH11 ARG B 27 -17.750 -0.086 -8.688 1.00 2.67 H new ATOM 0 HH12 ARG B 27 -18.835 0.350 -10.013 1.00 2.67 H new ATOM 0 HH21 ARG B 27 -21.743 -0.778 -8.369 1.00 3.28 H new ATOM 0 HH22 ARG B 27 -21.084 -0.040 -9.832 1.00 3.28 H new ATOM 1409 N ILE B 28 -15.001 1.177 -3.185 1.00 0.29 N ATOM 1410 CA ILE B 28 -14.939 2.188 -2.143 1.00 0.30 C ATOM 1411 C ILE B 28 -14.616 3.540 -2.775 1.00 0.30 C ATOM 1412 O ILE B 28 -14.795 3.716 -3.980 1.00 0.33 O ATOM 1413 CB ILE B 28 -13.904 1.797 -1.063 1.00 0.31 C ATOM 1414 CG1 ILE B 28 -13.988 0.290 -0.809 1.00 0.34 C ATOM 1415 CG2 ILE B 28 -14.185 2.546 0.237 1.00 0.34 C ATOM 1416 CD1 ILE B 28 -12.987 -0.229 0.191 1.00 0.37 C ATOM 0 H ILE B 28 -14.102 0.974 -3.622 1.00 0.29 H new ATOM 0 HA ILE B 28 -15.906 2.261 -1.644 1.00 0.30 H new ATOM 0 HB ILE B 28 -12.906 2.062 -1.413 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -14.992 0.048 -0.459 1.00 0.34 H new ATOM 0 HG13 ILE B 28 -13.845 -0.234 -1.754 1.00 0.34 H new ATOM 0 HG21 ILE B 28 -13.448 2.261 0.988 1.00 0.34 H new ATOM 0 HG22 ILE B 28 -14.124 3.620 0.059 1.00 0.34 H new ATOM 0 HG23 ILE B 28 -15.183 2.293 0.594 1.00 0.34 H new ATOM 0 HD11 ILE B 28 -13.116 -1.305 0.311 1.00 0.37 H new ATOM 0 HD12 ILE B 28 -11.977 -0.022 -0.164 1.00 0.37 H new ATOM 0 HD13 ILE B 28 -13.142 0.264 1.151 1.00 0.37 H new ATOM 1428 N ARG B 29 -14.150 4.487 -1.982 1.00 0.28 N ATOM 1429 CA ARG B 29 -13.951 5.848 -2.460 1.00 0.30 C ATOM 1430 C ARG B 29 -12.959 6.584 -1.579 1.00 0.27 C ATOM 1431 O ARG B 29 -12.152 5.956 -0.897 1.00 0.25 O ATOM 1432 CB ARG B 29 -15.303 6.589 -2.517 1.00 0.33 C ATOM 1433 CG ARG B 29 -15.837 7.102 -1.176 1.00 0.57 C ATOM 1434 CD ARG B 29 -15.773 6.056 -0.076 1.00 0.59 C ATOM 1435 NE ARG B 29 -16.346 6.546 1.176 1.00 1.03 N ATOM 1436 CZ ARG B 29 -16.739 5.757 2.176 1.00 1.47 C ATOM 1437 NH1 ARG B 29 -16.590 4.442 2.085 1.00 2.15 N ATOM 1438 NH2 ARG B 29 -17.280 6.285 3.268 1.00 1.99 N ATOM 0 H ARG B 29 -13.901 4.342 -1.004 1.00 0.28 H new ATOM 0 HA ARG B 29 -13.536 5.812 -3.467 1.00 0.30 H new ATOM 0 HB2 ARG B 29 -15.204 7.436 -3.196 1.00 0.33 H new ATOM 0 HB3 ARG B 29 -16.046 5.919 -2.950 1.00 0.33 H new ATOM 0 HG2 ARG B 29 -15.262 7.977 -0.872 1.00 0.57 H new ATOM 0 HG3 ARG B 29 -16.870 7.427 -1.302 1.00 0.57 H new ATOM 0 HD2 ARG B 29 -16.308 5.161 -0.394 1.00 0.59 H new ATOM 0 HD3 ARG B 29 -14.735 5.765 0.089 1.00 0.59 H new ATOM 0 HE ARG B 29 -16.452 7.554 1.292 1.00 1.03 H new ATOM 0 HH11 ARG B 29 -16.174 4.033 1.249 1.00 2.15 H new ATOM 0 HH12 ARG B 29 -16.891 3.840 2.851 1.00 2.15 H new ATOM 0 HH21 ARG B 29 -17.395 7.296 3.342 1.00 1.99 H new ATOM 0 HH22 ARG B 29 -17.580 5.680 4.032 1.00 1.99 H new ATOM 1452 N GLU B 30 -13.030 7.911 -1.598 1.00 0.30 N ATOM 1453 CA GLU B 30 -12.197 8.762 -0.760 1.00 0.31 C ATOM 1454 C GLU B 30 -12.595 8.667 0.705 1.00 0.30 C ATOM 1455 O GLU B 30 -12.675 9.663 1.425 1.00 0.36 O ATOM 1456 CB GLU B 30 -12.273 10.200 -1.243 1.00 0.39 C ATOM 1457 CG GLU B 30 -11.496 10.413 -2.520 1.00 0.44 C ATOM 1458 CD GLU B 30 -12.235 9.945 -3.759 1.00 0.55 C ATOM 1459 OE1 GLU B 30 -12.149 8.745 -4.092 1.00 1.18 O ATOM 1460 OE2 GLU B 30 -12.913 10.771 -4.403 1.00 1.08 O ATOM 0 H GLU B 30 -13.671 8.428 -2.199 1.00 0.30 H new ATOM 0 HA GLU B 30 -11.168 8.413 -0.841 1.00 0.31 H new ATOM 0 HB2 GLU B 30 -13.316 10.473 -1.404 1.00 0.39 H new ATOM 0 HB3 GLU B 30 -11.886 10.863 -0.469 1.00 0.39 H new ATOM 0 HG2 GLU B 30 -11.264 11.473 -2.623 1.00 0.44 H new ATOM 0 HG3 GLU B 30 -10.546 9.884 -2.451 1.00 0.44 H new ATOM 1467 N GLY B 31 -12.831 7.440 1.124 1.00 0.26 N ATOM 1468 CA GLY B 31 -13.109 7.129 2.498 1.00 0.26 C ATOM 1469 C GLY B 31 -12.881 5.656 2.761 1.00 0.27 C ATOM 1470 O GLY B 31 -13.616 5.022 3.515 1.00 0.35 O ATOM 0 H GLY B 31 -12.834 6.627 0.508 1.00 0.26 H new ATOM 0 HA2 GLY B 31 -12.469 7.725 3.149 1.00 0.26 H new ATOM 0 HA3 GLY B 31 -14.140 7.392 2.736 1.00 0.26 H new ATOM 1474 N ASP B 32 -11.867 5.118 2.096 1.00 0.27 N ATOM 1475 CA ASP B 32 -11.436 3.737 2.291 1.00 0.29 C ATOM 1476 C ASP B 32 -10.326 3.674 3.331 1.00 0.26 C ATOM 1477 O ASP B 32 -9.285 4.320 3.197 1.00 0.29 O ATOM 1478 CB ASP B 32 -10.955 3.147 0.969 1.00 0.35 C ATOM 1479 CG ASP B 32 -10.379 1.750 1.113 1.00 0.41 C ATOM 1480 OD1 ASP B 32 -10.847 1.000 1.991 1.00 1.07 O ATOM 1481 OD2 ASP B 32 -9.469 1.404 0.336 1.00 1.29 O ATOM 0 H ASP B 32 -11.318 5.627 1.404 1.00 0.27 H new ATOM 0 HA ASP B 32 -12.283 3.152 2.649 1.00 0.29 H new ATOM 0 HB2 ASP B 32 -11.788 3.119 0.266 1.00 0.35 H new ATOM 0 HB3 ASP B 32 -10.198 3.803 0.540 1.00 0.35 H new ATOM 1486 N PRO B 33 -10.568 2.925 4.399 1.00 0.21 N ATOM 1487 CA PRO B 33 -9.627 2.751 5.489 1.00 0.24 C ATOM 1488 C PRO B 33 -8.646 1.630 5.257 1.00 0.41 C ATOM 1489 O PRO B 33 -8.779 0.579 5.834 1.00 1.10 O ATOM 1490 CB PRO B 33 -10.496 2.349 6.671 1.00 0.19 C ATOM 1491 CG PRO B 33 -11.885 2.154 6.136 1.00 0.12 C ATOM 1492 CD PRO B 33 -11.797 2.186 4.632 1.00 0.20 C ATOM 0 HA PRO B 33 -9.043 3.662 5.621 1.00 0.24 H new ATOM 0 HB2 PRO B 33 -10.126 1.432 7.130 1.00 0.19 H new ATOM 0 HB3 PRO B 33 -10.482 3.120 7.442 1.00 0.19 H new ATOM 0 HG2 PRO B 33 -12.298 1.204 6.476 1.00 0.12 H new ATOM 0 HG3 PRO B 33 -12.550 2.938 6.498 1.00 0.12 H new ATOM 0 HD2 PRO B 33 -11.753 1.183 4.208 1.00 0.20 H new ATOM 0 HD3 PRO B 33 -12.659 2.683 4.187 1.00 0.20 H new ATOM 1500 N LEU B 34 -7.675 1.812 4.434 1.00 0.25 N ATOM 1501 CA LEU B 34 -6.772 0.717 4.206 1.00 0.19 C ATOM 1502 C LEU B 34 -5.887 0.465 5.423 1.00 0.19 C ATOM 1503 O LEU B 34 -5.538 1.366 6.153 1.00 0.22 O ATOM 1504 CB LEU B 34 -5.902 0.916 2.961 1.00 0.19 C ATOM 1505 CG LEU B 34 -6.612 1.430 1.709 1.00 0.27 C ATOM 1506 CD1 LEU B 34 -6.704 2.950 1.728 1.00 0.32 C ATOM 1507 CD2 LEU B 34 -5.893 0.955 0.456 1.00 0.44 C ATOM 0 H LEU B 34 -7.480 2.671 3.919 1.00 0.25 H new ATOM 0 HA LEU B 34 -7.398 -0.158 4.033 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -5.103 1.614 3.211 1.00 0.19 H new ATOM 0 HB3 LEU B 34 -5.430 -0.036 2.719 1.00 0.19 H new ATOM 0 HG LEU B 34 -7.625 1.027 1.700 1.00 0.27 H new ATOM 0 HD11 LEU B 34 -7.213 3.295 0.828 1.00 0.32 H new ATOM 0 HD12 LEU B 34 -7.264 3.270 2.607 1.00 0.32 H new ATOM 0 HD13 LEU B 34 -5.701 3.375 1.763 1.00 0.32 H new ATOM 0 HD21 LEU B 34 -6.412 1.330 -0.426 1.00 0.44 H new ATOM 0 HD22 LEU B 34 -4.869 1.328 0.460 1.00 0.44 H new ATOM 0 HD23 LEU B 34 -5.882 -0.135 0.434 1.00 0.44 H new ATOM 1519 N GLU B 35 -5.508 -0.779 5.567 1.00 0.18 N ATOM 1520 CA GLU B 35 -4.705 -1.229 6.688 1.00 0.17 C ATOM 1521 C GLU B 35 -3.342 -1.560 6.185 1.00 0.13 C ATOM 1522 O GLU B 35 -3.197 -2.483 5.397 1.00 0.12 O ATOM 1523 CB GLU B 35 -5.296 -2.453 7.393 1.00 0.20 C ATOM 1524 CG GLU B 35 -4.443 -2.936 8.559 1.00 0.21 C ATOM 1525 CD GLU B 35 -5.046 -4.115 9.295 1.00 0.28 C ATOM 1526 OE1 GLU B 35 -5.022 -5.232 8.741 1.00 1.10 O ATOM 1527 OE2 GLU B 35 -5.531 -3.936 10.428 1.00 1.09 O ATOM 0 H GLU B 35 -5.747 -1.519 4.907 1.00 0.18 H new ATOM 0 HA GLU B 35 -4.677 -0.425 7.423 1.00 0.17 H new ATOM 0 HB2 GLU B 35 -6.294 -2.210 7.756 1.00 0.20 H new ATOM 0 HB3 GLU B 35 -5.408 -3.262 6.672 1.00 0.20 H new ATOM 0 HG2 GLU B 35 -3.457 -3.214 8.188 1.00 0.21 H new ATOM 0 HG3 GLU B 35 -4.299 -2.114 9.260 1.00 0.21 H new ATOM 1534 N ILE B 36 -2.368 -0.793 6.631 1.00 0.12 N ATOM 1535 CA ILE B 36 -1.000 -0.935 6.203 1.00 0.11 C ATOM 1536 C ILE B 36 -0.295 -1.952 7.076 1.00 0.11 C ATOM 1537 O ILE B 36 -0.120 -1.736 8.276 1.00 0.14 O ATOM 1538 CB ILE B 36 -0.253 0.426 6.295 1.00 0.13 C ATOM 1539 CG1 ILE B 36 -0.767 1.416 5.243 1.00 0.15 C ATOM 1540 CG2 ILE B 36 1.249 0.241 6.160 1.00 0.17 C ATOM 1541 CD1 ILE B 36 -2.123 2.017 5.544 1.00 0.62 C ATOM 0 H ILE B 36 -2.511 -0.045 7.310 1.00 0.12 H new ATOM 0 HA ILE B 36 -0.996 -1.271 5.166 1.00 0.11 H new ATOM 0 HB ILE B 36 -0.458 0.841 7.282 1.00 0.13 H new ATOM 0 HG12 ILE B 36 -0.042 2.224 5.140 1.00 0.15 H new ATOM 0 HG13 ILE B 36 -0.816 0.908 4.280 1.00 0.15 H new ATOM 0 HG21 ILE B 36 1.743 1.210 6.228 1.00 0.17 H new ATOM 0 HG22 ILE B 36 1.609 -0.407 6.959 1.00 0.17 H new ATOM 0 HG23 ILE B 36 1.474 -0.214 5.195 1.00 0.17 H new ATOM 0 HD11 ILE B 36 -2.402 2.704 4.745 1.00 0.62 H new ATOM 0 HD12 ILE B 36 -2.865 1.222 5.615 1.00 0.62 H new ATOM 0 HD13 ILE B 36 -2.079 2.559 6.489 1.00 0.62 H new ATOM 1553 N PHE B 37 0.051 -3.077 6.487 1.00 0.10 N ATOM 1554 CA PHE B 37 0.870 -4.062 7.158 1.00 0.11 C ATOM 1555 C PHE B 37 1.696 -4.821 6.136 1.00 0.10 C ATOM 1556 O PHE B 37 1.172 -5.307 5.144 1.00 0.10 O ATOM 1557 CB PHE B 37 0.019 -5.005 8.024 1.00 0.12 C ATOM 1558 CG PHE B 37 -0.357 -6.314 7.374 1.00 0.21 C ATOM 1559 CD1 PHE B 37 -1.459 -6.405 6.543 1.00 1.16 C ATOM 1560 CD2 PHE B 37 0.394 -7.457 7.607 1.00 1.09 C ATOM 1561 CE1 PHE B 37 -1.800 -7.610 5.952 1.00 1.20 C ATOM 1562 CE2 PHE B 37 0.058 -8.659 7.019 1.00 1.14 C ATOM 1563 CZ PHE B 37 -1.042 -8.736 6.193 1.00 0.49 C ATOM 0 H PHE B 37 -0.225 -3.332 5.539 1.00 0.10 H new ATOM 0 HA PHE B 37 1.551 -3.550 7.838 1.00 0.11 H new ATOM 0 HB2 PHE B 37 0.564 -5.218 8.943 1.00 0.12 H new ATOM 0 HB3 PHE B 37 -0.895 -4.484 8.309 1.00 0.12 H new ATOM 0 HD1 PHE B 37 -2.059 -5.528 6.353 1.00 1.16 H new ATOM 0 HD2 PHE B 37 1.254 -7.405 8.258 1.00 1.09 H new ATOM 0 HE1 PHE B 37 -2.660 -7.668 5.302 1.00 1.20 H new ATOM 0 HE2 PHE B 37 0.656 -9.538 7.206 1.00 1.14 H new ATOM 0 HZ PHE B 37 -1.310 -9.677 5.735 1.00 0.49 H new ATOM 1573 N VAL B 38 2.988 -4.893 6.361 1.00 0.10 N ATOM 1574 CA VAL B 38 3.869 -5.591 5.438 1.00 0.10 C ATOM 1575 C VAL B 38 3.820 -7.093 5.684 1.00 0.13 C ATOM 1576 O VAL B 38 3.749 -7.552 6.824 1.00 0.20 O ATOM 1577 CB VAL B 38 5.326 -5.051 5.514 1.00 0.13 C ATOM 1578 CG1 VAL B 38 5.706 -4.700 6.948 1.00 0.18 C ATOM 1579 CG2 VAL B 38 6.329 -6.046 4.931 1.00 0.17 C ATOM 0 H VAL B 38 3.455 -4.481 7.169 1.00 0.10 H new ATOM 0 HA VAL B 38 3.511 -5.400 4.426 1.00 0.10 H new ATOM 0 HB VAL B 38 5.363 -4.144 4.911 1.00 0.13 H new ATOM 0 HG11 VAL B 38 6.729 -4.325 6.972 1.00 0.18 H new ATOM 0 HG12 VAL B 38 5.030 -3.933 7.326 1.00 0.18 H new ATOM 0 HG13 VAL B 38 5.631 -5.590 7.573 1.00 0.18 H new ATOM 0 HG21 VAL B 38 7.335 -5.633 5.002 1.00 0.17 H new ATOM 0 HG22 VAL B 38 6.280 -6.981 5.489 1.00 0.17 H new ATOM 0 HG23 VAL B 38 6.088 -6.235 3.885 1.00 0.17 H new ATOM 1589 N ASP B 39 3.832 -7.842 4.594 1.00 0.14 N ATOM 1590 CA ASP B 39 3.646 -9.287 4.636 1.00 0.19 C ATOM 1591 C ASP B 39 4.952 -10.015 4.914 1.00 0.42 C ATOM 1592 O ASP B 39 5.028 -10.860 5.801 1.00 1.05 O ATOM 1593 CB ASP B 39 3.092 -9.766 3.299 1.00 0.26 C ATOM 1594 CG ASP B 39 2.653 -11.217 3.332 1.00 0.32 C ATOM 1595 OD1 ASP B 39 3.490 -12.105 3.075 1.00 1.13 O ATOM 1596 OD2 ASP B 39 1.465 -11.477 3.602 1.00 1.14 O ATOM 0 H ASP B 39 3.971 -7.468 3.655 1.00 0.14 H new ATOM 0 HA ASP B 39 2.949 -9.509 5.444 1.00 0.19 H new ATOM 0 HB2 ASP B 39 2.245 -9.141 3.017 1.00 0.26 H new ATOM 0 HB3 ASP B 39 3.853 -9.639 2.529 1.00 0.26 H new ATOM 1601 N ARG B 40 5.981 -9.683 4.148 1.00 0.46 N ATOM 1602 CA ARG B 40 7.229 -10.425 4.213 1.00 0.54 C ATOM 1603 C ARG B 40 8.455 -9.513 4.252 1.00 0.52 C ATOM 1604 O ARG B 40 8.937 -9.163 5.328 1.00 0.59 O ATOM 1605 CB ARG B 40 7.316 -11.411 3.044 1.00 0.65 C ATOM 1606 CG ARG B 40 6.774 -10.858 1.735 1.00 0.75 C ATOM 1607 CD ARG B 40 5.753 -11.799 1.116 1.00 0.77 C ATOM 1608 NE ARG B 40 6.308 -13.129 0.864 1.00 1.29 N ATOM 1609 CZ ARG B 40 5.716 -14.265 1.232 1.00 2.04 C ATOM 1610 NH1 ARG B 40 4.589 -14.238 1.929 1.00 2.59 N ATOM 1611 NH2 ARG B 40 6.263 -15.434 0.929 1.00 2.71 N ATOM 0 H ARG B 40 5.976 -8.912 3.480 1.00 0.46 H new ATOM 0 HA ARG B 40 7.229 -10.981 5.151 1.00 0.54 H new ATOM 0 HB2 ARG B 40 8.357 -11.701 2.902 1.00 0.65 H new ATOM 0 HB3 ARG B 40 6.765 -12.316 3.302 1.00 0.65 H new ATOM 0 HG2 ARG B 40 6.315 -9.885 1.912 1.00 0.75 H new ATOM 0 HG3 ARG B 40 7.596 -10.700 1.037 1.00 0.75 H new ATOM 0 HD2 ARG B 40 4.893 -11.886 1.780 1.00 0.77 H new ATOM 0 HD3 ARG B 40 5.391 -11.375 0.179 1.00 0.77 H new ATOM 0 HE ARG B 40 7.202 -13.191 0.377 1.00 1.29 H new ATOM 0 HH11 ARG B 40 4.170 -13.344 2.187 1.00 2.59 H new ATOM 0 HH12 ARG B 40 4.141 -15.111 2.208 1.00 2.59 H new ATOM 0 HH21 ARG B 40 7.141 -15.467 0.412 1.00 2.71 H new ATOM 0 HH22 ARG B 40 5.805 -16.300 1.213 1.00 2.71 H new ATOM 1625 N ASP B 41 8.953 -9.125 3.085 1.00 0.53 N ATOM 1626 CA ASP B 41 10.175 -8.331 2.999 1.00 0.56 C ATOM 1627 C ASP B 41 9.856 -6.850 2.907 1.00 0.48 C ATOM 1628 O ASP B 41 9.934 -6.121 3.897 1.00 0.59 O ATOM 1629 CB ASP B 41 11.009 -8.760 1.786 1.00 0.59 C ATOM 1630 CG ASP B 41 12.316 -7.989 1.665 1.00 0.62 C ATOM 1631 OD1 ASP B 41 13.333 -8.438 2.240 1.00 1.18 O ATOM 1632 OD2 ASP B 41 12.336 -6.938 0.993 1.00 1.32 O ATOM 0 H ASP B 41 8.530 -9.347 2.184 1.00 0.53 H new ATOM 0 HA ASP B 41 10.752 -8.505 3.907 1.00 0.56 H new ATOM 0 HB2 ASP B 41 11.227 -9.826 1.859 1.00 0.59 H new ATOM 0 HB3 ASP B 41 10.422 -8.616 0.879 1.00 0.59 H new ATOM 1637 N GLY B 42 9.479 -6.416 1.718 1.00 0.34 N ATOM 1638 CA GLY B 42 9.203 -5.016 1.501 1.00 0.26 C ATOM 1639 C GLY B 42 7.833 -4.794 0.915 1.00 0.18 C ATOM 1640 O GLY B 42 7.535 -3.722 0.397 1.00 0.17 O ATOM 0 H GLY B 42 9.359 -7.010 0.897 1.00 0.34 H new ATOM 0 HA2 GLY B 42 9.284 -4.480 2.447 1.00 0.26 H new ATOM 0 HA3 GLY B 42 9.955 -4.598 0.832 1.00 0.26 H new ATOM 1644 N GLU B 43 6.998 -5.816 0.999 1.00 0.15 N ATOM 1645 CA GLU B 43 5.657 -5.750 0.453 1.00 0.12 C ATOM 1646 C GLU B 43 4.697 -5.277 1.525 1.00 0.09 C ATOM 1647 O GLU B 43 4.402 -6.015 2.466 1.00 0.09 O ATOM 1648 CB GLU B 43 5.194 -7.122 -0.046 1.00 0.16 C ATOM 1649 CG GLU B 43 6.310 -8.135 -0.231 1.00 0.57 C ATOM 1650 CD GLU B 43 7.178 -7.864 -1.440 1.00 1.17 C ATOM 1651 OE1 GLU B 43 6.749 -8.201 -2.566 1.00 1.65 O ATOM 1652 OE2 GLU B 43 8.294 -7.342 -1.261 1.00 2.07 O ATOM 0 H GLU B 43 7.229 -6.705 1.443 1.00 0.15 H new ATOM 0 HA GLU B 43 5.669 -5.054 -0.386 1.00 0.12 H new ATOM 0 HB2 GLU B 43 4.468 -7.525 0.660 1.00 0.16 H new ATOM 0 HB3 GLU B 43 4.676 -6.993 -0.997 1.00 0.16 H new ATOM 0 HG2 GLU B 43 6.936 -8.141 0.661 1.00 0.57 H new ATOM 0 HG3 GLU B 43 5.875 -9.130 -0.322 1.00 0.57 H new ATOM 1659 N VAL B 44 4.231 -4.052 1.402 1.00 0.08 N ATOM 1660 CA VAL B 44 3.247 -3.527 2.331 1.00 0.07 C ATOM 1661 C VAL B 44 1.858 -3.832 1.817 1.00 0.07 C ATOM 1662 O VAL B 44 1.562 -3.617 0.656 1.00 0.08 O ATOM 1663 CB VAL B 44 3.345 -2.006 2.527 1.00 0.09 C ATOM 1664 CG1 VAL B 44 2.773 -1.623 3.881 1.00 0.10 C ATOM 1665 CG2 VAL B 44 4.778 -1.513 2.375 1.00 0.13 C ATOM 0 H VAL B 44 4.516 -3.401 0.670 1.00 0.08 H new ATOM 0 HA VAL B 44 3.446 -4.006 3.289 1.00 0.07 H new ATOM 0 HB VAL B 44 2.758 -1.520 1.748 1.00 0.09 H new ATOM 0 HG11 VAL B 44 2.845 -0.544 4.014 1.00 0.10 H new ATOM 0 HG12 VAL B 44 1.727 -1.926 3.933 1.00 0.10 H new ATOM 0 HG13 VAL B 44 3.336 -2.124 4.669 1.00 0.10 H new ATOM 0 HG21 VAL B 44 4.809 -0.433 2.520 1.00 0.13 H new ATOM 0 HG22 VAL B 44 5.410 -1.997 3.119 1.00 0.13 H new ATOM 0 HG23 VAL B 44 5.142 -1.755 1.377 1.00 0.13 H new ATOM 1675 N ILE B 45 1.014 -4.315 2.688 1.00 0.07 N ATOM 1676 CA ILE B 45 -0.328 -4.704 2.317 1.00 0.08 C ATOM 1677 C ILE B 45 -1.304 -3.726 2.940 1.00 0.09 C ATOM 1678 O ILE B 45 -1.309 -3.561 4.152 1.00 0.11 O ATOM 1679 CB ILE B 45 -0.653 -6.130 2.804 1.00 0.10 C ATOM 1680 CG1 ILE B 45 0.073 -7.179 1.947 1.00 0.10 C ATOM 1681 CG2 ILE B 45 -2.159 -6.385 2.793 1.00 0.12 C ATOM 1682 CD1 ILE B 45 1.580 -7.112 1.996 1.00 0.09 C ATOM 0 H ILE B 45 1.233 -4.452 3.675 1.00 0.07 H new ATOM 0 HA ILE B 45 -0.409 -4.692 1.230 1.00 0.08 H new ATOM 0 HB ILE B 45 -0.300 -6.218 3.831 1.00 0.10 H new ATOM 0 HG12 ILE B 45 -0.242 -8.171 2.270 1.00 0.10 H new ATOM 0 HG13 ILE B 45 -0.247 -7.065 0.911 1.00 0.10 H new ATOM 0 HG21 ILE B 45 -2.359 -7.398 3.141 1.00 0.12 H new ATOM 0 HG22 ILE B 45 -2.654 -5.671 3.451 1.00 0.12 H new ATOM 0 HG23 ILE B 45 -2.540 -6.268 1.779 1.00 0.12 H new ATOM 0 HD11 ILE B 45 2.000 -7.891 1.360 1.00 0.09 H new ATOM 0 HD12 ILE B 45 1.913 -6.136 1.642 1.00 0.09 H new ATOM 0 HD13 ILE B 45 1.918 -7.260 3.022 1.00 0.09 H new ATOM 1694 N LEU B 46 -2.072 -3.050 2.106 1.00 0.09 N ATOM 1695 CA LEU B 46 -3.084 -2.099 2.562 1.00 0.10 C ATOM 1696 C LEU B 46 -4.478 -2.633 2.249 1.00 0.11 C ATOM 1697 O LEU B 46 -4.803 -2.813 1.085 1.00 0.11 O ATOM 1698 CB LEU B 46 -2.905 -0.766 1.831 1.00 0.11 C ATOM 1699 CG LEU B 46 -1.504 -0.506 1.294 1.00 0.10 C ATOM 1700 CD1 LEU B 46 -1.534 0.659 0.324 1.00 0.15 C ATOM 1701 CD2 LEU B 46 -0.537 -0.228 2.431 1.00 0.13 C ATOM 0 H LEU B 46 -2.016 -3.141 1.092 1.00 0.09 H new ATOM 0 HA LEU B 46 -2.971 -1.959 3.637 1.00 0.10 H new ATOM 0 HB2 LEU B 46 -3.609 -0.728 0.999 1.00 0.11 H new ATOM 0 HB3 LEU B 46 -3.172 0.042 2.512 1.00 0.11 H new ATOM 0 HG LEU B 46 -1.159 -1.396 0.768 1.00 0.10 H new ATOM 0 HD11 LEU B 46 -0.529 0.841 -0.057 1.00 0.15 H new ATOM 0 HD12 LEU B 46 -2.200 0.424 -0.506 1.00 0.15 H new ATOM 0 HD13 LEU B 46 -1.894 1.551 0.837 1.00 0.15 H new ATOM 0 HD21 LEU B 46 0.458 -0.045 2.026 1.00 0.13 H new ATOM 0 HD22 LEU B 46 -0.870 0.649 2.986 1.00 0.13 H new ATOM 0 HD23 LEU B 46 -0.504 -1.089 3.099 1.00 0.13 H new ATOM 1713 N LYS B 47 -5.307 -2.885 3.257 1.00 0.12 N ATOM 1714 CA LYS B 47 -6.673 -3.348 2.966 1.00 0.16 C ATOM 1715 C LYS B 47 -7.742 -2.568 3.725 1.00 0.14 C ATOM 1716 O LYS B 47 -7.509 -2.099 4.819 1.00 0.14 O ATOM 1717 CB LYS B 47 -6.812 -4.856 3.189 1.00 0.22 C ATOM 1718 CG LYS B 47 -7.492 -5.282 4.476 1.00 0.24 C ATOM 1719 CD LYS B 47 -6.566 -5.194 5.667 1.00 0.40 C ATOM 1720 CE LYS B 47 -5.186 -5.741 5.349 1.00 0.52 C ATOM 1721 NZ LYS B 47 -4.585 -6.415 6.521 1.00 0.95 N ATOM 0 H LYS B 47 -5.078 -2.784 4.246 1.00 0.12 H new ATOM 0 HA LYS B 47 -6.845 -3.148 1.908 1.00 0.16 H new ATOM 0 HB2 LYS B 47 -7.369 -5.276 2.352 1.00 0.22 H new ATOM 0 HB3 LYS B 47 -5.817 -5.299 3.164 1.00 0.22 H new ATOM 0 HG2 LYS B 47 -8.365 -4.653 4.649 1.00 0.24 H new ATOM 0 HG3 LYS B 47 -7.852 -6.306 4.373 1.00 0.24 H new ATOM 0 HD2 LYS B 47 -6.481 -4.155 5.985 1.00 0.40 H new ATOM 0 HD3 LYS B 47 -6.994 -5.749 6.502 1.00 0.40 H new ATOM 0 HE2 LYS B 47 -5.255 -6.445 4.519 1.00 0.52 H new ATOM 0 HE3 LYS B 47 -4.537 -4.928 5.024 1.00 0.52 H new ATOM 0 HZ1 LYS B 47 -3.551 -6.444 6.413 1.00 0.95 H new ATOM 0 HZ2 LYS B 47 -4.828 -5.890 7.386 1.00 0.95 H new ATOM 0 HZ3 LYS B 47 -4.953 -7.385 6.590 1.00 0.95 H new ATOM 1735 N LYS B 48 -8.931 -2.524 3.132 1.00 0.17 N ATOM 1736 CA LYS B 48 -10.042 -1.621 3.504 1.00 0.17 C ATOM 1737 C LYS B 48 -10.445 -1.554 4.993 1.00 0.13 C ATOM 1738 O LYS B 48 -11.349 -0.794 5.331 1.00 0.16 O ATOM 1739 CB LYS B 48 -11.254 -2.030 2.717 1.00 0.22 C ATOM 1740 CG LYS B 48 -11.453 -3.525 2.724 1.00 0.24 C ATOM 1741 CD LYS B 48 -12.252 -3.963 1.522 1.00 0.35 C ATOM 1742 CE LYS B 48 -13.686 -3.468 1.576 1.00 0.43 C ATOM 1743 NZ LYS B 48 -14.544 -4.145 0.570 1.00 0.64 N ATOM 0 H LYS B 48 -9.167 -3.134 2.349 1.00 0.17 H new ATOM 0 HA LYS B 48 -9.665 -0.623 3.279 1.00 0.17 H new ATOM 0 HB2 LYS B 48 -12.137 -1.545 3.133 1.00 0.22 H new ATOM 0 HB3 LYS B 48 -11.153 -1.682 1.689 1.00 0.22 H new ATOM 0 HG2 LYS B 48 -10.485 -4.026 2.725 1.00 0.24 H new ATOM 0 HG3 LYS B 48 -11.967 -3.824 3.637 1.00 0.24 H new ATOM 0 HD2 LYS B 48 -11.775 -3.591 0.615 1.00 0.35 H new ATOM 0 HD3 LYS B 48 -12.247 -5.051 1.461 1.00 0.35 H new ATOM 0 HE2 LYS B 48 -14.092 -3.639 2.573 1.00 0.43 H new ATOM 0 HE3 LYS B 48 -13.705 -2.392 1.404 1.00 0.43 H new ATOM 0 HZ1 LYS B 48 -15.515 -3.779 0.639 1.00 0.64 H new ATOM 0 HZ2 LYS B 48 -14.172 -3.961 -0.384 1.00 0.64 H new ATOM 0 HZ3 LYS B 48 -14.547 -5.169 0.749 1.00 0.64 H new ATOM 1757 N TYR B 49 -9.843 -2.368 5.854 1.00 0.13 N ATOM 1758 CA TYR B 49 -10.021 -2.277 7.317 1.00 0.15 C ATOM 1759 C TYR B 49 -11.396 -2.738 7.794 1.00 0.18 C ATOM 1760 O TYR B 49 -11.501 -3.580 8.682 1.00 0.25 O ATOM 1761 CB TYR B 49 -9.808 -0.858 7.825 1.00 0.19 C ATOM 1762 CG TYR B 49 -10.129 -0.649 9.295 1.00 0.31 C ATOM 1763 CD1 TYR B 49 -9.542 -1.430 10.284 1.00 1.18 C ATOM 1764 CD2 TYR B 49 -11.025 0.338 9.687 1.00 1.14 C ATOM 1765 CE1 TYR B 49 -9.835 -1.229 11.621 1.00 1.26 C ATOM 1766 CE2 TYR B 49 -11.321 0.547 11.019 1.00 1.19 C ATOM 1767 CZ TYR B 49 -10.726 -0.241 11.982 1.00 0.62 C ATOM 1768 OH TYR B 49 -11.017 -0.030 13.312 1.00 0.79 O ATOM 0 H TYR B 49 -9.213 -3.116 5.565 1.00 0.13 H new ATOM 0 HA TYR B 49 -9.265 -2.949 7.724 1.00 0.15 H new ATOM 0 HB2 TYR B 49 -8.769 -0.578 7.652 1.00 0.19 H new ATOM 0 HB3 TYR B 49 -10.424 -0.180 7.234 1.00 0.19 H new ATOM 0 HD1 TYR B 49 -8.846 -2.207 10.004 1.00 1.18 H new ATOM 0 HD2 TYR B 49 -11.498 0.953 8.936 1.00 1.14 H new ATOM 0 HE1 TYR B 49 -9.368 -1.843 12.378 1.00 1.26 H new ATOM 0 HE2 TYR B 49 -12.015 1.323 11.306 1.00 1.19 H new ATOM 0 HH TYR B 49 -11.662 0.703 13.393 1.00 0.79 H new ATOM 1778 N SER B 50 -12.441 -2.145 7.224 1.00 0.20 N ATOM 1779 CA SER B 50 -13.809 -2.372 7.664 1.00 0.28 C ATOM 1780 C SER B 50 -14.124 -3.877 7.735 1.00 0.29 C ATOM 1781 O SER B 50 -14.517 -4.371 8.790 1.00 0.35 O ATOM 1782 CB SER B 50 -14.790 -1.623 6.747 1.00 0.39 C ATOM 1783 OG SER B 50 -16.090 -1.578 7.312 1.00 1.22 O ATOM 0 H SER B 50 -12.360 -1.493 6.443 1.00 0.20 H new ATOM 0 HA SER B 50 -13.925 -1.976 8.673 1.00 0.28 H new ATOM 0 HB2 SER B 50 -14.430 -0.608 6.577 1.00 0.39 H new ATOM 0 HB3 SER B 50 -14.830 -2.114 5.775 1.00 0.39 H new ATOM 0 HG SER B 50 -16.692 -1.095 6.709 1.00 1.22 H new ATOM 1789 N PRO B 51 -13.945 -4.637 6.632 1.00 0.34 N ATOM 1790 CA PRO B 51 -14.029 -6.097 6.670 1.00 0.43 C ATOM 1791 C PRO B 51 -12.676 -6.726 6.964 1.00 0.45 C ATOM 1792 O PRO B 51 -12.486 -7.931 6.799 1.00 0.56 O ATOM 1793 CB PRO B 51 -14.447 -6.431 5.253 1.00 0.52 C ATOM 1794 CG PRO B 51 -13.720 -5.424 4.434 1.00 0.47 C ATOM 1795 CD PRO B 51 -13.696 -4.160 5.256 1.00 0.41 C ATOM 0 HA PRO B 51 -14.704 -6.463 7.443 1.00 0.43 H new ATOM 0 HB2 PRO B 51 -14.167 -7.449 4.981 1.00 0.52 H new ATOM 0 HB3 PRO B 51 -15.526 -6.352 5.123 1.00 0.52 H new ATOM 0 HG2 PRO B 51 -12.709 -5.762 4.208 1.00 0.47 H new ATOM 0 HG3 PRO B 51 -14.222 -5.260 3.481 1.00 0.47 H new ATOM 0 HD2 PRO B 51 -12.737 -3.648 5.176 1.00 0.41 H new ATOM 0 HD3 PRO B 51 -14.462 -3.456 4.931 1.00 0.41 H new ATOM 1803 N ILE B 52 -11.742 -5.884 7.394 1.00 0.37 N ATOM 1804 CA ILE B 52 -10.366 -6.286 7.660 1.00 0.45 C ATOM 1805 C ILE B 52 -9.810 -7.051 6.457 1.00 0.57 C ATOM 1806 O ILE B 52 -10.145 -6.736 5.312 1.00 0.57 O ATOM 1807 CB ILE B 52 -10.274 -7.147 8.940 1.00 0.60 C ATOM 1808 CG1 ILE B 52 -11.448 -6.830 9.873 1.00 0.50 C ATOM 1809 CG2 ILE B 52 -8.954 -6.885 9.662 1.00 0.73 C ATOM 1810 CD1 ILE B 52 -11.483 -7.669 11.134 1.00 0.70 C ATOM 0 H ILE B 52 -11.921 -4.895 7.569 1.00 0.37 H new ATOM 0 HA ILE B 52 -9.768 -5.389 7.821 1.00 0.45 H new ATOM 0 HB ILE B 52 -10.318 -8.198 8.655 1.00 0.60 H new ATOM 0 HG12 ILE B 52 -11.402 -5.777 10.152 1.00 0.50 H new ATOM 0 HG13 ILE B 52 -12.380 -6.975 9.328 1.00 0.50 H new ATOM 0 HG21 ILE B 52 -8.903 -7.498 10.562 1.00 0.73 H new ATOM 0 HG22 ILE B 52 -8.123 -7.137 9.004 1.00 0.73 H new ATOM 0 HG23 ILE B 52 -8.892 -5.832 9.937 1.00 0.73 H new ATOM 0 HD11 ILE B 52 -12.344 -7.382 11.738 1.00 0.70 H new ATOM 0 HD12 ILE B 52 -11.562 -8.723 10.868 1.00 0.70 H new ATOM 0 HD13 ILE B 52 -10.569 -7.507 11.705 1.00 0.70 H new