USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 LYS NZ :NH3+ 177:sc= 1.82 (180deg=0.662) USER MOD Set 1.2: A 144 GLN : amide:sc= -1.47! C(o=0.35!,f=-4.1!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.671 K(o=-0.67,f=-2.2) USER MOD Single : A 20 TYR OH : rot -131:sc= 1.26 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.25) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0394 K(o=-0.039,f=-4.3!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.138 USER MOD Single : A 102 THR OG1 : rot -167:sc= 1.24 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -133:sc= 1.34 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -161:sc= -0.0876 (180deg=-0.609) USER MOD Single : A 138 MET CE :methyl -113:sc= -3.45! (180deg=-7.94!) USER MOD Single : A 141 LYS NZ :NH3+ -164:sc= 1.18 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 1.416 3.601 13.233 1.00 72.32 N ATOM 57 CA VAL A 5 0.858 2.480 12.500 1.00 32.14 C ATOM 58 C VAL A 5 -0.492 2.874 11.898 1.00 25.43 C ATOM 59 O VAL A 5 -1.527 2.894 12.572 1.00 2.32 O ATOM 60 CB VAL A 5 0.735 1.208 13.385 1.00 1.05 C ATOM 61 CG1 VAL A 5 -0.033 1.493 14.666 1.00 3.21 C ATOM 62 CG2 VAL A 5 0.086 0.066 12.613 1.00 0.13 C ATOM 0 HA VAL A 5 1.544 2.228 11.691 1.00 32.14 H new ATOM 0 HB VAL A 5 1.745 0.904 13.662 1.00 1.05 H new ATOM 0 HG11 VAL A 5 -0.100 0.582 15.260 1.00 3.21 H new ATOM 0 HG12 VAL A 5 0.486 2.262 15.238 1.00 3.21 H new ATOM 0 HG13 VAL A 5 -1.036 1.840 14.419 1.00 3.21 H new ATOM 0 HG21 VAL A 5 0.012 -0.812 13.255 1.00 0.13 H new ATOM 0 HG22 VAL A 5 -0.911 0.365 12.291 1.00 0.13 H new ATOM 0 HG23 VAL A 5 0.693 -0.174 11.740 1.00 0.13 H new ATOM 72 N VAL A 6 -0.463 3.221 10.626 1.00 35.22 N ATOM 73 CA VAL A 6 -1.648 3.698 9.942 1.00 10.05 C ATOM 74 C VAL A 6 -2.381 2.543 9.275 1.00 43.40 C ATOM 75 O VAL A 6 -1.766 1.679 8.647 1.00 33.04 O ATOM 76 CB VAL A 6 -1.296 4.773 8.888 1.00 3.25 C ATOM 77 CG1 VAL A 6 -2.549 5.284 8.191 1.00 4.00 C ATOM 78 CG2 VAL A 6 -0.534 5.924 9.534 1.00 22.43 C ATOM 0 H VAL A 6 0.373 3.181 10.043 1.00 35.22 H new ATOM 0 HA VAL A 6 -2.299 4.151 10.690 1.00 10.05 H new ATOM 0 HB VAL A 6 -0.656 4.313 8.135 1.00 3.25 H new ATOM 0 HG11 VAL A 6 -2.274 6.039 7.455 1.00 4.00 H new ATOM 0 HG12 VAL A 6 -3.051 4.456 7.691 1.00 4.00 H new ATOM 0 HG13 VAL A 6 -3.221 5.724 8.928 1.00 4.00 H new ATOM 0 HG21 VAL A 6 -0.294 6.671 8.778 1.00 22.43 H new ATOM 0 HG22 VAL A 6 -1.150 6.378 10.310 1.00 22.43 H new ATOM 0 HG23 VAL A 6 0.388 5.547 9.977 1.00 22.43 H new ATOM 88 N ARG A 7 -3.691 2.513 9.446 1.00 52.44 N ATOM 89 CA ARG A 7 -4.514 1.517 8.793 1.00 41.52 C ATOM 90 C ARG A 7 -5.466 2.182 7.811 1.00 23.34 C ATOM 91 O ARG A 7 -6.348 2.949 8.196 1.00 2.41 O ATOM 92 CB ARG A 7 -5.263 0.656 9.826 1.00 73.31 C ATOM 93 CG ARG A 7 -5.966 1.430 10.936 1.00 22.45 C ATOM 94 CD ARG A 7 -7.407 1.768 10.583 1.00 21.55 C ATOM 95 NE ARG A 7 -8.077 2.489 11.660 1.00 4.34 N ATOM 96 CZ ARG A 7 -9.252 3.102 11.525 1.00 61.11 C ATOM 97 NH1 ARG A 7 -9.881 3.097 10.354 1.00 64.30 N ATOM 98 NH2 ARG A 7 -9.799 3.720 12.563 1.00 31.13 N ATOM 0 H ARG A 7 -4.206 3.169 10.033 1.00 52.44 H new ATOM 0 HA ARG A 7 -3.868 0.845 8.227 1.00 41.52 H new ATOM 0 HB2 ARG A 7 -6.004 0.052 9.302 1.00 73.31 H new ATOM 0 HB3 ARG A 7 -4.553 -0.035 10.281 1.00 73.31 H new ATOM 0 HG2 ARG A 7 -5.948 0.842 11.853 1.00 22.45 H new ATOM 0 HG3 ARG A 7 -5.418 2.351 11.137 1.00 22.45 H new ATOM 0 HD2 ARG A 7 -7.426 2.371 9.675 1.00 21.55 H new ATOM 0 HD3 ARG A 7 -7.953 0.850 10.367 1.00 21.55 H new ATOM 0 HE ARG A 7 -7.618 2.526 12.570 1.00 4.34 H new ATOM 0 HH11 ARG A 7 -9.464 2.622 9.553 1.00 64.30 H new ATOM 0 HH12 ARG A 7 -10.780 3.568 10.256 1.00 64.30 H new ATOM 0 HH21 ARG A 7 -9.320 3.726 13.464 1.00 31.13 H new ATOM 0 HH22 ARG A 7 -10.699 4.190 12.461 1.00 31.13 H new ATOM 112 N ASP A 8 -5.238 1.932 6.537 1.00 65.25 N ATOM 113 CA ASP A 8 -6.092 2.455 5.489 1.00 35.41 C ATOM 114 C ASP A 8 -5.941 1.587 4.247 1.00 44.12 C ATOM 115 O ASP A 8 -5.095 0.689 4.214 1.00 52.21 O ATOM 116 CB ASP A 8 -5.758 3.922 5.184 1.00 64.15 C ATOM 117 CG ASP A 8 -6.773 4.567 4.257 1.00 21.30 C ATOM 118 OD1 ASP A 8 -7.964 4.196 4.330 1.00 50.11 O ATOM 119 OD2 ASP A 8 -6.390 5.424 3.440 1.00 42.05 O ATOM 0 H ASP A 8 -4.460 1.364 6.200 1.00 65.25 H new ATOM 0 HA ASP A 8 -7.129 2.427 5.823 1.00 35.41 H new ATOM 0 HB2 ASP A 8 -5.715 4.483 6.117 1.00 64.15 H new ATOM 0 HB3 ASP A 8 -4.768 3.980 4.731 1.00 64.15 H new ATOM 124 N ALA A 9 -6.763 1.833 3.247 1.00 44.32 N ATOM 125 CA ALA A 9 -6.760 1.023 2.046 1.00 2.25 C ATOM 126 C ALA A 9 -6.896 1.880 0.801 1.00 75.13 C ATOM 127 O ALA A 9 -7.762 2.752 0.729 1.00 62.33 O ATOM 128 CB ALA A 9 -7.885 0.017 2.113 1.00 52.13 C ATOM 0 H ALA A 9 -7.445 2.592 3.243 1.00 44.32 H new ATOM 0 HA ALA A 9 -5.805 0.500 1.985 1.00 2.25 H new ATOM 0 HB1 ALA A 9 -7.883 -0.592 1.209 1.00 52.13 H new ATOM 0 HB2 ALA A 9 -7.748 -0.625 2.984 1.00 52.13 H new ATOM 0 HB3 ALA A 9 -8.837 0.541 2.195 1.00 52.13 H new ATOM 134 N VAL A 10 -6.045 1.626 -0.178 1.00 60.21 N ATOM 135 CA VAL A 10 -6.096 2.346 -1.439 1.00 70.14 C ATOM 136 C VAL A 10 -6.558 1.426 -2.563 1.00 42.55 C ATOM 137 O VAL A 10 -6.270 0.227 -2.555 1.00 3.41 O ATOM 138 CB VAL A 10 -4.729 2.972 -1.800 1.00 41.22 C ATOM 139 CG1 VAL A 10 -4.370 4.069 -0.813 1.00 62.40 C ATOM 140 CG2 VAL A 10 -3.633 1.916 -1.838 1.00 44.42 C ATOM 0 H VAL A 10 -5.307 0.924 -0.123 1.00 60.21 H new ATOM 0 HA VAL A 10 -6.815 3.156 -1.319 1.00 70.14 H new ATOM 0 HB VAL A 10 -4.813 3.408 -2.795 1.00 41.22 H new ATOM 0 HG11 VAL A 10 -3.405 4.499 -1.082 1.00 62.40 H new ATOM 0 HG12 VAL A 10 -5.134 4.846 -0.839 1.00 62.40 H new ATOM 0 HG13 VAL A 10 -4.313 3.650 0.192 1.00 62.40 H new ATOM 0 HG21 VAL A 10 -2.684 2.386 -2.094 1.00 44.42 H new ATOM 0 HG22 VAL A 10 -3.551 1.442 -0.860 1.00 44.42 H new ATOM 0 HG23 VAL A 10 -3.879 1.163 -2.587 1.00 44.42 H new ATOM 150 N THR A 11 -7.292 1.989 -3.511 1.00 22.22 N ATOM 151 CA THR A 11 -7.817 1.228 -4.631 1.00 23.34 C ATOM 152 C THR A 11 -7.110 1.605 -5.928 1.00 20.33 C ATOM 153 O THR A 11 -7.146 2.759 -6.359 1.00 23.41 O ATOM 154 CB THR A 11 -9.334 1.452 -4.793 1.00 3.11 C ATOM 155 OG1 THR A 11 -10.025 1.023 -3.611 1.00 41.43 O ATOM 156 CG2 THR A 11 -9.872 0.696 -5.998 1.00 52.11 C ATOM 0 H THR A 11 -7.538 2.979 -3.525 1.00 22.22 H new ATOM 0 HA THR A 11 -7.635 0.175 -4.419 1.00 23.34 H new ATOM 0 HB THR A 11 -9.502 2.518 -4.948 1.00 3.11 H new ATOM 0 HG1 THR A 11 -10.987 1.171 -3.723 1.00 41.43 H new ATOM 0 HG21 THR A 11 -10.944 0.872 -6.089 1.00 52.11 H new ATOM 0 HG22 THR A 11 -9.370 1.045 -6.900 1.00 52.11 H new ATOM 0 HG23 THR A 11 -9.689 -0.371 -5.870 1.00 52.11 H new ATOM 164 N ILE A 12 -6.455 0.627 -6.533 1.00 60.44 N ATOM 165 CA ILE A 12 -5.770 0.821 -7.805 1.00 61.43 C ATOM 166 C ILE A 12 -6.240 -0.236 -8.799 1.00 43.54 C ATOM 167 O ILE A 12 -6.612 -1.343 -8.402 1.00 24.12 O ATOM 168 CB ILE A 12 -4.224 0.747 -7.666 1.00 23.00 C ATOM 169 CG1 ILE A 12 -3.709 1.750 -6.629 1.00 22.12 C ATOM 170 CG2 ILE A 12 -3.545 1.001 -9.003 1.00 55.41 C ATOM 171 CD1 ILE A 12 -3.727 1.225 -5.212 1.00 43.12 C ATOM 0 H ILE A 12 -6.382 -0.320 -6.160 1.00 60.44 H new ATOM 0 HA ILE A 12 -6.018 1.821 -8.160 1.00 61.43 H new ATOM 0 HB ILE A 12 -3.978 -0.260 -7.328 1.00 23.00 H new ATOM 0 HG12 ILE A 12 -2.689 2.035 -6.888 1.00 22.12 H new ATOM 0 HG13 ILE A 12 -4.315 2.654 -6.679 1.00 22.12 H new ATOM 0 HG21 ILE A 12 -2.464 0.944 -8.879 1.00 55.41 H new ATOM 0 HG22 ILE A 12 -3.868 0.249 -9.724 1.00 55.41 H new ATOM 0 HG23 ILE A 12 -3.816 1.992 -9.366 1.00 55.41 H new ATOM 0 HD11 ILE A 12 -3.348 1.991 -4.535 1.00 43.12 H new ATOM 0 HD12 ILE A 12 -4.748 0.967 -4.933 1.00 43.12 H new ATOM 0 HD13 ILE A 12 -3.097 0.338 -5.145 1.00 43.12 H new ATOM 183 N GLY A 13 -6.233 0.105 -10.082 1.00 3.44 N ATOM 184 CA GLY A 13 -6.696 -0.821 -11.099 1.00 51.30 C ATOM 185 C GLY A 13 -5.681 -1.906 -11.425 1.00 2.53 C ATOM 186 O GLY A 13 -5.302 -2.080 -12.584 1.00 61.12 O ATOM 0 H GLY A 13 -5.915 1.007 -10.437 1.00 3.44 H new ATOM 0 HA2 GLY A 13 -7.622 -1.287 -10.763 1.00 51.30 H new ATOM 0 HA3 GLY A 13 -6.930 -0.266 -12.008 1.00 51.30 H new ATOM 190 N LYS A 14 -5.228 -2.619 -10.399 1.00 5.51 N ATOM 191 CA LYS A 14 -4.344 -3.764 -10.567 1.00 33.24 C ATOM 192 C LYS A 14 -4.887 -4.931 -9.746 1.00 20.21 C ATOM 193 O LYS A 14 -5.426 -4.719 -8.663 1.00 15.13 O ATOM 194 CB LYS A 14 -2.908 -3.433 -10.146 1.00 21.44 C ATOM 195 CG LYS A 14 -2.216 -2.435 -11.065 1.00 4.12 C ATOM 196 CD LYS A 14 -0.706 -2.506 -10.919 1.00 23.20 C ATOM 197 CE LYS A 14 0.014 -1.542 -11.855 1.00 61.45 C ATOM 198 NZ LYS A 14 -0.230 -0.122 -11.503 1.00 71.11 N ATOM 0 H LYS A 14 -5.464 -2.418 -9.427 1.00 5.51 H new ATOM 0 HA LYS A 14 -4.315 -4.035 -11.622 1.00 33.24 H new ATOM 0 HB2 LYS A 14 -2.919 -3.033 -9.132 1.00 21.44 H new ATOM 0 HB3 LYS A 14 -2.325 -4.354 -10.119 1.00 21.44 H new ATOM 0 HG2 LYS A 14 -2.493 -2.637 -12.100 1.00 4.12 H new ATOM 0 HG3 LYS A 14 -2.559 -1.426 -10.834 1.00 4.12 H new ATOM 0 HD2 LYS A 14 -0.432 -2.280 -9.888 1.00 23.20 H new ATOM 0 HD3 LYS A 14 -0.371 -3.523 -11.122 1.00 23.20 H new ATOM 0 HE2 LYS A 14 1.085 -1.742 -11.824 1.00 61.45 H new ATOM 0 HE3 LYS A 14 -0.314 -1.721 -12.879 1.00 61.45 H new ATOM 0 HZ1 LYS A 14 0.321 0.492 -12.136 1.00 71.11 H new ATOM 0 HZ2 LYS A 14 -1.242 0.092 -11.607 1.00 71.11 H new ATOM 0 HZ3 LYS A 14 0.060 0.046 -10.519 1.00 71.11 H new ATOM 212 N PRO A 15 -4.747 -6.172 -10.247 1.00 61.13 N ATOM 213 CA PRO A 15 -5.391 -7.353 -9.644 1.00 1.23 C ATOM 214 C PRO A 15 -5.073 -7.539 -8.161 1.00 0.12 C ATOM 215 O PRO A 15 -5.980 -7.596 -7.336 1.00 5.41 O ATOM 216 CB PRO A 15 -4.820 -8.521 -10.449 1.00 61.42 C ATOM 217 CG PRO A 15 -4.400 -7.928 -11.748 1.00 50.34 C ATOM 218 CD PRO A 15 -3.967 -6.521 -11.447 1.00 62.52 C ATOM 0 HA PRO A 15 -6.477 -7.263 -9.681 1.00 1.23 H new ATOM 0 HB2 PRO A 15 -3.976 -8.980 -9.934 1.00 61.42 H new ATOM 0 HB3 PRO A 15 -5.567 -9.302 -10.595 1.00 61.42 H new ATOM 0 HG2 PRO A 15 -3.585 -8.500 -12.191 1.00 50.34 H new ATOM 0 HG3 PRO A 15 -5.222 -7.937 -12.464 1.00 50.34 H new ATOM 0 HD2 PRO A 15 -2.895 -6.462 -11.260 1.00 62.52 H new ATOM 0 HD3 PRO A 15 -4.184 -5.848 -12.277 1.00 62.52 H new ATOM 226 N ALA A 16 -3.785 -7.631 -7.844 1.00 23.31 N ATOM 227 CA ALA A 16 -3.313 -7.832 -6.471 1.00 72.01 C ATOM 228 C ALA A 16 -1.811 -8.039 -6.486 1.00 75.30 C ATOM 229 O ALA A 16 -1.068 -7.426 -5.723 1.00 55.33 O ATOM 230 CB ALA A 16 -3.986 -9.037 -5.821 1.00 51.32 C ATOM 0 H ALA A 16 -3.034 -7.569 -8.532 1.00 23.31 H new ATOM 0 HA ALA A 16 -3.568 -6.947 -5.887 1.00 72.01 H new ATOM 0 HB1 ALA A 16 -3.613 -9.157 -4.804 1.00 51.32 H new ATOM 0 HB2 ALA A 16 -5.065 -8.882 -5.796 1.00 51.32 H new ATOM 0 HB3 ALA A 16 -3.762 -9.934 -6.398 1.00 51.32 H new ATOM 236 N GLU A 17 -1.394 -8.913 -7.393 1.00 61.33 N ATOM 237 CA GLU A 17 0.006 -9.272 -7.589 1.00 0.02 C ATOM 238 C GLU A 17 0.905 -8.036 -7.693 1.00 21.40 C ATOM 239 O GLU A 17 1.932 -7.944 -7.027 1.00 72.14 O ATOM 240 CB GLU A 17 0.107 -10.115 -8.867 1.00 0.22 C ATOM 241 CG GLU A 17 1.521 -10.391 -9.349 1.00 5.44 C ATOM 242 CD GLU A 17 1.526 -11.131 -10.671 1.00 51.22 C ATOM 243 OE1 GLU A 17 1.094 -10.541 -11.688 1.00 1.15 O ATOM 244 OE2 GLU A 17 1.936 -12.308 -10.705 1.00 34.25 O ATOM 0 H GLU A 17 -2.029 -9.401 -8.024 1.00 61.33 H new ATOM 0 HA GLU A 17 0.352 -9.840 -6.725 1.00 0.02 H new ATOM 0 HB2 GLU A 17 -0.394 -11.068 -8.695 1.00 0.22 H new ATOM 0 HB3 GLU A 17 -0.438 -9.607 -9.662 1.00 0.22 H new ATOM 0 HG2 GLU A 17 2.059 -9.449 -9.457 1.00 5.44 H new ATOM 0 HG3 GLU A 17 2.053 -10.979 -8.601 1.00 5.44 H new ATOM 251 N GLN A 18 0.491 -7.071 -8.499 1.00 15.51 N ATOM 252 CA GLN A 18 1.321 -5.903 -8.773 1.00 51.50 C ATOM 253 C GLN A 18 1.170 -4.851 -7.676 1.00 21.03 C ATOM 254 O GLN A 18 1.932 -3.886 -7.617 1.00 45.22 O ATOM 255 CB GLN A 18 0.948 -5.293 -10.122 1.00 25.12 C ATOM 256 CG GLN A 18 0.969 -6.281 -11.277 1.00 65.03 C ATOM 257 CD GLN A 18 0.596 -5.633 -12.595 1.00 3.11 C ATOM 258 OE1 GLN A 18 0.877 -4.460 -12.826 1.00 23.14 O ATOM 259 NE2 GLN A 18 -0.064 -6.384 -13.458 1.00 53.15 N ATOM 0 H GLN A 18 -0.411 -7.071 -8.975 1.00 15.51 H new ATOM 0 HA GLN A 18 2.360 -6.231 -8.799 1.00 51.50 H new ATOM 0 HB2 GLN A 18 -0.048 -4.857 -10.049 1.00 25.12 H new ATOM 0 HB3 GLN A 18 1.637 -4.478 -10.343 1.00 25.12 H new ATOM 0 HG2 GLN A 18 1.963 -6.720 -11.359 1.00 65.03 H new ATOM 0 HG3 GLN A 18 0.277 -7.097 -11.067 1.00 65.03 H new ATOM 0 HE21 GLN A 18 -0.279 -7.355 -13.230 1.00 53.15 H new ATOM 0 HE22 GLN A 18 -0.359 -5.993 -14.353 1.00 53.15 H new ATOM 268 N LEU A 19 0.187 -5.039 -6.807 1.00 54.33 N ATOM 269 CA LEU A 19 -0.068 -4.085 -5.741 1.00 25.03 C ATOM 270 C LEU A 19 0.938 -4.259 -4.619 1.00 52.22 C ATOM 271 O LEU A 19 1.524 -3.287 -4.162 1.00 71.35 O ATOM 272 CB LEU A 19 -1.493 -4.232 -5.210 1.00 61.11 C ATOM 273 CG LEU A 19 -2.599 -3.883 -6.210 1.00 43.01 C ATOM 274 CD1 LEU A 19 -3.968 -4.165 -5.611 1.00 31.41 C ATOM 275 CD2 LEU A 19 -2.492 -2.425 -6.633 1.00 52.42 C ATOM 0 H LEU A 19 -0.444 -5.840 -6.820 1.00 54.33 H new ATOM 0 HA LEU A 19 0.041 -3.081 -6.150 1.00 25.03 H new ATOM 0 HB2 LEU A 19 -1.636 -5.260 -4.878 1.00 61.11 H new ATOM 0 HB3 LEU A 19 -1.604 -3.595 -4.332 1.00 61.11 H new ATOM 0 HG LEU A 19 -2.475 -4.509 -7.094 1.00 43.01 H new ATOM 0 HD11 LEU A 19 -4.742 -3.911 -6.336 1.00 31.41 H new ATOM 0 HD12 LEU A 19 -4.043 -5.222 -5.356 1.00 31.41 H new ATOM 0 HD13 LEU A 19 -4.102 -3.564 -4.711 1.00 31.41 H new ATOM 0 HD21 LEU A 19 -3.285 -2.193 -7.344 1.00 52.42 H new ATOM 0 HD22 LEU A 19 -2.591 -1.784 -5.757 1.00 52.42 H new ATOM 0 HD23 LEU A 19 -1.523 -2.252 -7.102 1.00 52.42 H new ATOM 287 N TYR A 20 1.145 -5.492 -4.173 1.00 62.10 N ATOM 288 CA TYR A 20 2.168 -5.743 -3.162 1.00 22.34 C ATOM 289 C TYR A 20 3.550 -5.640 -3.800 1.00 33.34 C ATOM 290 O TYR A 20 4.543 -5.352 -3.135 1.00 10.43 O ATOM 291 CB TYR A 20 1.963 -7.094 -2.451 1.00 3.25 C ATOM 292 CG TYR A 20 2.424 -8.323 -3.204 1.00 33.40 C ATOM 293 CD1 TYR A 20 1.569 -9.008 -4.058 1.00 32.13 C ATOM 294 CD2 TYR A 20 3.708 -8.823 -3.022 1.00 30.21 C ATOM 295 CE1 TYR A 20 1.983 -10.153 -4.712 1.00 13.13 C ATOM 296 CE2 TYR A 20 4.130 -9.961 -3.676 1.00 54.21 C ATOM 297 CZ TYR A 20 3.265 -10.625 -4.517 1.00 71.45 C ATOM 298 OH TYR A 20 3.678 -11.768 -5.158 1.00 12.54 O ATOM 0 H TYR A 20 0.633 -6.317 -4.485 1.00 62.10 H new ATOM 0 HA TYR A 20 2.082 -4.982 -2.387 1.00 22.34 H new ATOM 0 HB2 TYR A 20 2.487 -7.061 -1.496 1.00 3.25 H new ATOM 0 HB3 TYR A 20 0.902 -7.207 -2.229 1.00 3.25 H new ATOM 0 HD1 TYR A 20 0.565 -8.640 -4.213 1.00 32.13 H new ATOM 0 HD2 TYR A 20 4.387 -8.311 -2.356 1.00 30.21 H new ATOM 0 HE1 TYR A 20 1.307 -10.676 -5.372 1.00 13.13 H new ATOM 0 HE2 TYR A 20 5.134 -10.330 -3.529 1.00 54.21 H new ATOM 0 HH TYR A 20 4.105 -12.369 -4.512 1.00 12.54 H new ATOM 308 N ALA A 21 3.585 -5.850 -5.114 1.00 12.24 N ATOM 309 CA ALA A 21 4.811 -5.743 -5.899 1.00 61.10 C ATOM 310 C ALA A 21 5.242 -4.291 -6.081 1.00 50.13 C ATOM 311 O ALA A 21 6.252 -4.018 -6.725 1.00 63.25 O ATOM 312 CB ALA A 21 4.629 -6.400 -7.253 1.00 21.50 C ATOM 0 H ALA A 21 2.763 -6.099 -5.664 1.00 12.24 H new ATOM 0 HA ALA A 21 5.597 -6.260 -5.348 1.00 61.10 H new ATOM 0 HB1 ALA A 21 5.551 -6.312 -7.827 1.00 21.50 H new ATOM 0 HB2 ALA A 21 4.386 -7.454 -7.116 1.00 21.50 H new ATOM 0 HB3 ALA A 21 3.819 -5.907 -7.791 1.00 21.50 H new ATOM 318 N VAL A 22 4.445 -3.366 -5.549 1.00 22.44 N ATOM 319 CA VAL A 22 4.740 -1.929 -5.621 1.00 73.02 C ATOM 320 C VAL A 22 6.142 -1.609 -5.077 1.00 11.44 C ATOM 321 O VAL A 22 6.740 -0.591 -5.429 1.00 32.11 O ATOM 322 CB VAL A 22 3.683 -1.101 -4.844 1.00 51.32 C ATOM 323 CG1 VAL A 22 3.753 -1.388 -3.351 1.00 20.23 C ATOM 324 CG2 VAL A 22 3.850 0.388 -5.119 1.00 51.23 C ATOM 0 H VAL A 22 3.579 -3.586 -5.057 1.00 22.44 H new ATOM 0 HA VAL A 22 4.705 -1.653 -6.675 1.00 73.02 H new ATOM 0 HB VAL A 22 2.697 -1.402 -5.197 1.00 51.32 H new ATOM 0 HG11 VAL A 22 3.001 -0.794 -2.831 1.00 20.23 H new ATOM 0 HG12 VAL A 22 3.565 -2.447 -3.175 1.00 20.23 H new ATOM 0 HG13 VAL A 22 4.743 -1.128 -2.977 1.00 20.23 H new ATOM 0 HG21 VAL A 22 3.098 0.947 -4.563 1.00 51.23 H new ATOM 0 HG22 VAL A 22 4.844 0.707 -4.805 1.00 51.23 H new ATOM 0 HG23 VAL A 22 3.728 0.577 -6.186 1.00 51.23 H new ATOM 334 N TRP A 23 6.666 -2.492 -4.231 1.00 11.20 N ATOM 335 CA TRP A 23 8.004 -2.325 -3.667 1.00 23.52 C ATOM 336 C TRP A 23 9.081 -2.651 -4.706 1.00 52.12 C ATOM 337 O TRP A 23 10.273 -2.442 -4.474 1.00 73.15 O ATOM 338 CB TRP A 23 8.177 -3.219 -2.440 1.00 14.52 C ATOM 339 CG TRP A 23 7.306 -2.838 -1.282 1.00 1.22 C ATOM 340 CD1 TRP A 23 6.045 -3.289 -1.020 1.00 11.54 C ATOM 341 CD2 TRP A 23 7.638 -1.933 -0.221 1.00 51.32 C ATOM 342 NE1 TRP A 23 5.569 -2.717 0.135 1.00 14.20 N ATOM 343 CE2 TRP A 23 6.528 -1.880 0.643 1.00 13.34 C ATOM 344 CE3 TRP A 23 8.765 -1.161 0.080 1.00 21.24 C ATOM 345 CZ2 TRP A 23 6.514 -1.087 1.789 1.00 31.54 C ATOM 346 CZ3 TRP A 23 8.749 -0.375 1.217 1.00 33.43 C ATOM 347 CH2 TRP A 23 7.629 -0.343 2.058 1.00 33.45 C ATOM 0 H TRP A 23 6.182 -3.334 -3.919 1.00 11.20 H new ATOM 0 HA TRP A 23 8.117 -1.283 -3.369 1.00 23.52 H new ATOM 0 HB2 TRP A 23 7.961 -4.250 -2.721 1.00 14.52 H new ATOM 0 HB3 TRP A 23 9.220 -3.187 -2.124 1.00 14.52 H new ATOM 0 HD1 TRP A 23 5.500 -3.993 -1.632 1.00 11.54 H new ATOM 0 HE1 TRP A 23 4.652 -2.887 0.547 1.00 14.20 H new ATOM 0 HE3 TRP A 23 9.632 -1.179 -0.564 1.00 21.24 H new ATOM 0 HZ2 TRP A 23 5.653 -1.061 2.441 1.00 31.54 H new ATOM 0 HZ3 TRP A 23 9.614 0.224 1.461 1.00 33.43 H new ATOM 0 HH2 TRP A 23 7.647 0.283 2.938 1.00 33.45 H new ATOM 358 N ARG A 24 8.643 -3.178 -5.842 1.00 2.20 N ATOM 359 CA ARG A 24 9.525 -3.518 -6.944 1.00 32.52 C ATOM 360 C ARG A 24 9.198 -2.660 -8.157 1.00 22.22 C ATOM 361 O ARG A 24 8.352 -1.769 -8.097 1.00 23.24 O ATOM 362 CB ARG A 24 9.371 -4.999 -7.310 1.00 30.34 C ATOM 363 CG ARG A 24 10.021 -5.952 -6.326 1.00 54.15 C ATOM 364 CD ARG A 24 11.437 -6.315 -6.743 1.00 23.12 C ATOM 365 NE ARG A 24 12.291 -5.141 -6.931 1.00 33.11 N ATOM 366 CZ ARG A 24 13.507 -5.184 -7.478 1.00 2.31 C ATOM 367 NH1 ARG A 24 14.059 -6.347 -7.805 1.00 35.24 N ATOM 368 NH2 ARG A 24 14.178 -4.059 -7.676 1.00 20.14 N ATOM 0 H ARG A 24 7.660 -3.382 -6.023 1.00 2.20 H new ATOM 0 HA ARG A 24 10.554 -3.331 -6.635 1.00 32.52 H new ATOM 0 HB2 ARG A 24 8.309 -5.236 -7.381 1.00 30.34 H new ATOM 0 HB3 ARG A 24 9.801 -5.165 -8.298 1.00 30.34 H new ATOM 0 HG2 ARG A 24 10.039 -5.496 -5.336 1.00 54.15 H new ATOM 0 HG3 ARG A 24 9.421 -6.859 -6.248 1.00 54.15 H new ATOM 0 HD2 ARG A 24 11.879 -6.963 -5.986 1.00 23.12 H new ATOM 0 HD3 ARG A 24 11.403 -6.886 -7.671 1.00 23.12 H new ATOM 0 HE ARG A 24 11.935 -4.235 -6.625 1.00 33.11 H new ATOM 0 HH11 ARG A 24 13.553 -7.217 -7.638 1.00 35.24 H new ATOM 0 HH12 ARG A 24 14.989 -6.370 -8.223 1.00 35.24 H new ATOM 0 HH21 ARG A 24 13.765 -3.165 -7.411 1.00 20.14 H new ATOM 0 HH22 ARG A 24 15.108 -4.087 -8.094 1.00 20.14 H new ATOM 382 N ASP A 25 9.858 -2.954 -9.260 1.00 33.13 N ATOM 383 CA ASP A 25 9.616 -2.264 -10.524 1.00 50.21 C ATOM 384 C ASP A 25 8.602 -3.060 -11.346 1.00 52.34 C ATOM 385 O ASP A 25 8.661 -3.087 -12.576 1.00 22.44 O ATOM 386 CB ASP A 25 10.941 -2.121 -11.286 1.00 23.20 C ATOM 387 CG ASP A 25 10.888 -1.083 -12.394 1.00 62.41 C ATOM 388 OD1 ASP A 25 10.606 0.096 -12.094 1.00 55.25 O ATOM 389 OD2 ASP A 25 11.155 -1.434 -13.568 1.00 62.32 O ATOM 0 H ASP A 25 10.577 -3.676 -9.311 1.00 33.13 H new ATOM 0 HA ASP A 25 9.212 -1.269 -10.338 1.00 50.21 H new ATOM 0 HB2 ASP A 25 11.729 -1.852 -10.583 1.00 23.20 H new ATOM 0 HB3 ASP A 25 11.212 -3.086 -11.714 1.00 23.20 H new ATOM 394 N LEU A 26 7.663 -3.696 -10.633 1.00 42.05 N ATOM 395 CA LEU A 26 6.688 -4.617 -11.225 1.00 33.03 C ATOM 396 C LEU A 26 7.405 -5.725 -12.003 1.00 14.43 C ATOM 397 O LEU A 26 7.628 -5.614 -13.207 1.00 21.43 O ATOM 398 CB LEU A 26 5.677 -3.873 -12.116 1.00 4.44 C ATOM 399 CG LEU A 26 4.909 -2.741 -11.427 1.00 23.24 C ATOM 400 CD1 LEU A 26 3.961 -2.072 -12.408 1.00 63.32 C ATOM 401 CD2 LEU A 26 4.150 -3.264 -10.214 1.00 60.41 C ATOM 0 H LEU A 26 7.559 -3.584 -9.624 1.00 42.05 H new ATOM 0 HA LEU A 26 6.123 -5.078 -10.415 1.00 33.03 H new ATOM 0 HB2 LEU A 26 6.208 -3.460 -12.974 1.00 4.44 H new ATOM 0 HB3 LEU A 26 4.958 -4.595 -12.503 1.00 4.44 H new ATOM 0 HG LEU A 26 5.627 -1.998 -11.081 1.00 23.24 H new ATOM 0 HD11 LEU A 26 3.422 -1.270 -11.904 1.00 63.32 H new ATOM 0 HD12 LEU A 26 4.531 -1.659 -13.241 1.00 63.32 H new ATOM 0 HD13 LEU A 26 3.249 -2.806 -12.784 1.00 63.32 H new ATOM 0 HD21 LEU A 26 3.612 -2.443 -9.740 1.00 60.41 H new ATOM 0 HD22 LEU A 26 3.440 -4.028 -10.531 1.00 60.41 H new ATOM 0 HD23 LEU A 26 4.854 -3.695 -9.502 1.00 60.41 H new ATOM 413 N PRO A 27 7.811 -6.796 -11.297 1.00 25.02 N ATOM 414 CA PRO A 27 8.620 -7.872 -11.871 1.00 21.33 C ATOM 415 C PRO A 27 7.799 -8.912 -12.633 1.00 12.12 C ATOM 416 O PRO A 27 6.574 -8.954 -12.530 1.00 24.52 O ATOM 417 CB PRO A 27 9.263 -8.500 -10.637 1.00 70.45 C ATOM 418 CG PRO A 27 8.263 -8.304 -9.547 1.00 41.21 C ATOM 419 CD PRO A 27 7.501 -7.044 -9.877 1.00 43.21 C ATOM 0 HA PRO A 27 9.326 -7.496 -12.612 1.00 21.33 H new ATOM 0 HB2 PRO A 27 9.474 -9.558 -10.795 1.00 70.45 H new ATOM 0 HB3 PRO A 27 10.211 -8.019 -10.396 1.00 70.45 H new ATOM 0 HG2 PRO A 27 7.589 -9.158 -9.483 1.00 41.21 H new ATOM 0 HG3 PRO A 27 8.758 -8.215 -8.580 1.00 41.21 H new ATOM 0 HD2 PRO A 27 6.430 -7.173 -9.720 1.00 43.21 H new ATOM 0 HD3 PRO A 27 7.817 -6.211 -9.249 1.00 43.21 H new ATOM 998 N ALA A 64 16.861 -10.416 3.539 1.00 73.24 N ATOM 999 CA ALA A 64 15.428 -10.194 3.615 1.00 71.15 C ATOM 1000 C ALA A 64 14.632 -11.299 2.941 1.00 11.15 C ATOM 1001 O ALA A 64 14.994 -11.791 1.872 1.00 34.14 O ATOM 1002 CB ALA A 64 15.065 -8.853 3.021 1.00 13.04 C ATOM 0 HA ALA A 64 15.163 -10.203 4.672 1.00 71.15 H new ATOM 0 HB1 ALA A 64 13.987 -8.705 3.087 1.00 13.04 H new ATOM 0 HB2 ALA A 64 15.574 -8.062 3.571 1.00 13.04 H new ATOM 0 HB3 ALA A 64 15.372 -8.823 1.975 1.00 13.04 H new ATOM 1008 N GLU A 65 13.544 -11.672 3.591 1.00 43.14 N ATOM 1009 CA GLU A 65 12.619 -12.664 3.072 1.00 72.10 C ATOM 1010 C GLU A 65 11.207 -12.108 3.131 1.00 2.15 C ATOM 1011 O GLU A 65 10.943 -11.163 3.868 1.00 35.31 O ATOM 1012 CB GLU A 65 12.689 -13.930 3.921 1.00 45.20 C ATOM 1013 CG GLU A 65 11.944 -15.119 3.338 1.00 5.35 C ATOM 1014 CD GLU A 65 11.657 -16.177 4.382 1.00 23.52 C ATOM 1015 OE1 GLU A 65 10.692 -16.002 5.155 1.00 62.14 O ATOM 1016 OE2 GLU A 65 12.392 -17.183 4.445 1.00 72.02 O ATOM 0 H GLU A 65 13.276 -11.293 4.499 1.00 43.14 H new ATOM 0 HA GLU A 65 12.886 -12.901 2.042 1.00 72.10 H new ATOM 0 HB2 GLU A 65 13.735 -14.204 4.058 1.00 45.20 H new ATOM 0 HB3 GLU A 65 12.285 -13.713 4.910 1.00 45.20 H new ATOM 0 HG2 GLU A 65 11.006 -14.779 2.899 1.00 5.35 H new ATOM 0 HG3 GLU A 65 12.533 -15.556 2.532 1.00 5.35 H new ATOM 1023 N LEU A 66 10.304 -12.680 2.362 1.00 50.54 N ATOM 1024 CA LEU A 66 8.899 -12.356 2.494 1.00 52.50 C ATOM 1025 C LEU A 66 8.176 -13.546 3.109 1.00 35.41 C ATOM 1026 O LEU A 66 8.134 -14.629 2.525 1.00 63.12 O ATOM 1027 CB LEU A 66 8.287 -11.959 1.145 1.00 72.02 C ATOM 1028 CG LEU A 66 8.540 -10.507 0.707 1.00 41.14 C ATOM 1029 CD1 LEU A 66 8.054 -9.541 1.772 1.00 4.23 C ATOM 1030 CD2 LEU A 66 10.013 -10.262 0.408 1.00 45.23 C ATOM 0 H LEU A 66 10.517 -13.370 1.641 1.00 50.54 H new ATOM 0 HA LEU A 66 8.788 -11.492 3.150 1.00 52.50 H new ATOM 0 HB2 LEU A 66 8.679 -12.626 0.377 1.00 72.02 H new ATOM 0 HB3 LEU A 66 7.211 -12.124 1.191 1.00 72.02 H new ATOM 0 HG LEU A 66 7.979 -10.336 -0.212 1.00 41.14 H new ATOM 0 HD11 LEU A 66 8.240 -8.517 1.447 1.00 4.23 H new ATOM 0 HD12 LEU A 66 6.985 -9.682 1.931 1.00 4.23 H new ATOM 0 HD13 LEU A 66 8.587 -9.728 2.704 1.00 4.23 H new ATOM 0 HD21 LEU A 66 10.155 -9.226 0.101 1.00 45.23 H new ATOM 0 HD22 LEU A 66 10.604 -10.460 1.303 1.00 45.23 H new ATOM 0 HD23 LEU A 66 10.337 -10.925 -0.394 1.00 45.23 H new ATOM 1042 N THR A 67 7.622 -13.341 4.298 1.00 14.40 N ATOM 1043 CA THR A 67 7.110 -14.442 5.108 1.00 62.30 C ATOM 1044 C THR A 67 5.748 -14.933 4.619 1.00 63.12 C ATOM 1045 O THR A 67 5.317 -16.033 4.972 1.00 24.14 O ATOM 1046 CB THR A 67 7.025 -14.040 6.602 1.00 54.22 C ATOM 1047 OG1 THR A 67 6.517 -15.123 7.396 1.00 75.21 O ATOM 1048 CG2 THR A 67 6.145 -12.814 6.794 1.00 5.33 C ATOM 0 H THR A 67 7.515 -12.421 4.724 1.00 14.40 H new ATOM 0 HA THR A 67 7.817 -15.265 5.002 1.00 62.30 H new ATOM 0 HB THR A 67 8.036 -13.800 6.930 1.00 54.22 H new ATOM 0 HG1 THR A 67 6.473 -14.847 8.335 1.00 75.21 H new ATOM 0 HG21 THR A 67 6.105 -12.557 7.852 1.00 5.33 H new ATOM 0 HG22 THR A 67 6.560 -11.977 6.233 1.00 5.33 H new ATOM 0 HG23 THR A 67 5.139 -13.029 6.435 1.00 5.33 H new ATOM 1056 N ALA A 68 5.076 -14.134 3.807 1.00 2.22 N ATOM 1057 CA ALA A 68 3.787 -14.529 3.266 1.00 31.43 C ATOM 1058 C ALA A 68 3.637 -14.036 1.840 1.00 41.15 C ATOM 1059 O ALA A 68 3.873 -12.865 1.559 1.00 45.22 O ATOM 1060 CB ALA A 68 2.653 -14.001 4.131 1.00 65.14 C ATOM 0 H ALA A 68 5.399 -13.213 3.510 1.00 2.22 H new ATOM 0 HA ALA A 68 3.738 -15.618 3.265 1.00 31.43 H new ATOM 0 HB1 ALA A 68 1.698 -14.309 3.706 1.00 65.14 H new ATOM 0 HB2 ALA A 68 2.748 -14.402 5.140 1.00 65.14 H new ATOM 0 HB3 ALA A 68 2.700 -12.913 4.167 1.00 65.14 H new ATOM 1066 N ASP A 69 3.250 -14.934 0.952 1.00 64.21 N ATOM 1067 CA ASP A 69 3.056 -14.597 -0.452 1.00 53.24 C ATOM 1068 C ASP A 69 1.897 -15.397 -1.027 1.00 12.21 C ATOM 1069 O ASP A 69 1.962 -16.623 -1.118 1.00 20.11 O ATOM 1070 CB ASP A 69 4.325 -14.870 -1.266 1.00 53.42 C ATOM 1071 CG ASP A 69 4.114 -14.638 -2.753 1.00 74.14 C ATOM 1072 OD1 ASP A 69 4.215 -13.477 -3.199 1.00 2.23 O ATOM 1073 OD2 ASP A 69 3.842 -15.617 -3.480 1.00 51.43 O ATOM 0 H ASP A 69 3.062 -15.911 1.178 1.00 64.21 H new ATOM 0 HA ASP A 69 2.829 -13.533 -0.514 1.00 53.24 H new ATOM 0 HB2 ASP A 69 5.129 -14.226 -0.910 1.00 53.42 H new ATOM 0 HB3 ASP A 69 4.645 -15.899 -1.102 1.00 53.42 H new ATOM 1078 N GLU A 70 0.827 -14.705 -1.380 1.00 71.22 N ATOM 1079 CA GLU A 70 -0.327 -15.330 -2.005 1.00 4.14 C ATOM 1080 C GLU A 70 -0.719 -14.548 -3.255 1.00 55.13 C ATOM 1081 O GLU A 70 -0.608 -13.325 -3.273 1.00 53.13 O ATOM 1082 CB GLU A 70 -1.501 -15.375 -1.024 1.00 70.03 C ATOM 1083 CG GLU A 70 -1.288 -16.309 0.161 1.00 10.14 C ATOM 1084 CD GLU A 70 -1.219 -17.770 -0.244 1.00 1.04 C ATOM 1085 OE1 GLU A 70 -2.016 -18.191 -1.109 1.00 4.51 O ATOM 1086 OE2 GLU A 70 -0.378 -18.510 0.306 1.00 53.10 O ATOM 0 H GLU A 70 0.733 -13.699 -1.242 1.00 71.22 H new ATOM 0 HA GLU A 70 -0.070 -16.351 -2.286 1.00 4.14 H new ATOM 0 HB2 GLU A 70 -1.687 -14.368 -0.650 1.00 70.03 H new ATOM 0 HB3 GLU A 70 -2.397 -15.686 -1.561 1.00 70.03 H new ATOM 0 HG2 GLU A 70 -0.365 -16.035 0.672 1.00 10.14 H new ATOM 0 HG3 GLU A 70 -2.100 -16.173 0.875 1.00 10.14 H new ATOM 1093 N PRO A 71 -1.196 -15.243 -4.304 1.00 13.33 N ATOM 1094 CA PRO A 71 -1.554 -14.618 -5.590 1.00 34.30 C ATOM 1095 C PRO A 71 -2.516 -13.443 -5.435 1.00 54.25 C ATOM 1096 O PRO A 71 -2.456 -12.470 -6.189 1.00 53.25 O ATOM 1097 CB PRO A 71 -2.225 -15.757 -6.360 1.00 73.32 C ATOM 1098 CG PRO A 71 -1.640 -16.996 -5.781 1.00 63.41 C ATOM 1099 CD PRO A 71 -1.414 -16.700 -4.325 1.00 54.05 C ATOM 0 HA PRO A 71 -0.681 -14.196 -6.088 1.00 34.30 H new ATOM 0 HB2 PRO A 71 -3.308 -15.735 -6.237 1.00 73.32 H new ATOM 0 HB3 PRO A 71 -2.024 -15.685 -7.429 1.00 73.32 H new ATOM 0 HG2 PRO A 71 -2.314 -17.843 -5.908 1.00 63.41 H new ATOM 0 HG3 PRO A 71 -0.705 -17.256 -6.277 1.00 63.41 H new ATOM 0 HD2 PRO A 71 -2.273 -16.987 -3.718 1.00 54.05 H new ATOM 0 HD3 PRO A 71 -0.553 -17.241 -3.934 1.00 54.05 H new ATOM 1107 N GLY A 72 -3.407 -13.541 -4.458 1.00 45.14 N ATOM 1108 CA GLY A 72 -4.334 -12.465 -4.189 1.00 35.11 C ATOM 1109 C GLY A 72 -5.068 -12.663 -2.880 1.00 40.32 C ATOM 1110 O GLY A 72 -6.299 -12.697 -2.847 1.00 43.55 O ATOM 0 H GLY A 72 -3.503 -14.351 -3.846 1.00 45.14 H new ATOM 0 HA2 GLY A 72 -3.793 -11.519 -4.162 1.00 35.11 H new ATOM 0 HA3 GLY A 72 -5.056 -12.396 -5.003 1.00 35.11 H new ATOM 1114 N LYS A 73 -4.310 -12.822 -1.801 1.00 61.14 N ATOM 1115 CA LYS A 73 -4.891 -12.990 -0.473 1.00 32.04 C ATOM 1116 C LYS A 73 -4.276 -11.995 0.499 1.00 74.11 C ATOM 1117 O LYS A 73 -4.884 -10.974 0.822 1.00 34.43 O ATOM 1118 CB LYS A 73 -4.672 -14.408 0.058 1.00 33.04 C ATOM 1119 CG LYS A 73 -5.233 -15.508 -0.824 1.00 13.24 C ATOM 1120 CD LYS A 73 -4.829 -16.871 -0.291 1.00 3.43 C ATOM 1121 CE LYS A 73 -5.189 -17.992 -1.247 1.00 1.44 C ATOM 1122 NZ LYS A 73 -4.501 -19.254 -0.872 1.00 20.11 N ATOM 0 H LYS A 73 -3.290 -12.838 -1.819 1.00 61.14 H new ATOM 0 HA LYS A 73 -5.963 -12.812 -0.559 1.00 32.04 H new ATOM 0 HB2 LYS A 73 -3.602 -14.573 0.185 1.00 33.04 H new ATOM 0 HB3 LYS A 73 -5.126 -14.486 1.046 1.00 33.04 H new ATOM 0 HG2 LYS A 73 -6.320 -15.433 -0.863 1.00 13.24 H new ATOM 0 HG3 LYS A 73 -4.868 -15.387 -1.844 1.00 13.24 H new ATOM 0 HD2 LYS A 73 -3.755 -16.883 -0.108 1.00 3.43 H new ATOM 0 HD3 LYS A 73 -5.318 -17.043 0.668 1.00 3.43 H new ATOM 0 HE2 LYS A 73 -6.268 -18.147 -1.242 1.00 1.44 H new ATOM 0 HE3 LYS A 73 -4.912 -17.711 -2.263 1.00 1.44 H new ATOM 0 HZ1 LYS A 73 -4.654 -19.967 -1.614 1.00 20.11 H new ATOM 0 HZ2 LYS A 73 -3.482 -19.076 -0.768 1.00 20.11 H new ATOM 0 HZ3 LYS A 73 -4.885 -19.604 0.029 1.00 20.11 H new ATOM 1136 N ARG A 74 -3.058 -12.290 0.948 1.00 52.34 N ATOM 1137 CA ARG A 74 -2.373 -11.431 1.900 1.00 30.42 C ATOM 1138 C ARG A 74 -0.865 -11.658 1.822 1.00 53.51 C ATOM 1139 O ARG A 74 -0.406 -12.791 1.672 1.00 61.43 O ATOM 1140 CB ARG A 74 -2.888 -11.679 3.327 1.00 15.13 C ATOM 1141 CG ARG A 74 -2.397 -12.970 3.966 1.00 51.34 C ATOM 1142 CD ARG A 74 -3.206 -13.323 5.207 1.00 75.05 C ATOM 1143 NE ARG A 74 -4.554 -13.774 4.869 1.00 11.13 N ATOM 1144 CZ ARG A 74 -5.606 -13.682 5.683 1.00 40.15 C ATOM 1145 NH1 ARG A 74 -5.494 -13.106 6.874 1.00 52.15 N ATOM 1146 NH2 ARG A 74 -6.779 -14.160 5.297 1.00 64.45 N ATOM 0 H ARG A 74 -2.530 -13.116 0.666 1.00 52.34 H new ATOM 0 HA ARG A 74 -2.582 -10.392 1.644 1.00 30.42 H new ATOM 0 HB2 ARG A 74 -2.589 -10.841 3.957 1.00 15.13 H new ATOM 0 HB3 ARG A 74 -3.978 -11.691 3.308 1.00 15.13 H new ATOM 0 HG2 ARG A 74 -2.464 -13.783 3.243 1.00 51.34 H new ATOM 0 HG3 ARG A 74 -1.345 -12.868 4.233 1.00 51.34 H new ATOM 0 HD2 ARG A 74 -2.691 -14.105 5.766 1.00 75.05 H new ATOM 0 HD3 ARG A 74 -3.268 -12.452 5.860 1.00 75.05 H new ATOM 0 HE ARG A 74 -4.700 -14.187 3.948 1.00 11.13 H new ATOM 0 HH11 ARG A 74 -4.596 -12.728 7.175 1.00 52.15 H new ATOM 0 HH12 ARG A 74 -6.306 -13.042 7.488 1.00 52.15 H new ATOM 0 HH21 ARG A 74 -6.875 -14.596 4.380 1.00 64.45 H new ATOM 0 HH22 ARG A 74 -7.586 -14.092 5.917 1.00 64.45 H new ATOM 1160 N ILE A 75 -0.106 -10.574 1.890 1.00 73.42 N ATOM 1161 CA ILE A 75 1.348 -10.640 1.830 1.00 32.32 C ATOM 1162 C ILE A 75 1.953 -9.853 2.987 1.00 23.24 C ATOM 1163 O ILE A 75 1.686 -8.662 3.145 1.00 1.23 O ATOM 1164 CB ILE A 75 1.908 -10.095 0.484 1.00 72.22 C ATOM 1165 CG1 ILE A 75 1.639 -11.072 -0.670 1.00 71.21 C ATOM 1166 CG2 ILE A 75 3.402 -9.809 0.587 1.00 12.20 C ATOM 1167 CD1 ILE A 75 0.235 -11.007 -1.230 1.00 63.02 C ATOM 0 H ILE A 75 -0.477 -9.629 1.988 1.00 73.42 H new ATOM 0 HA ILE A 75 1.626 -11.691 1.905 1.00 32.32 H new ATOM 0 HB ILE A 75 1.388 -9.161 0.272 1.00 72.22 H new ATOM 0 HG12 ILE A 75 2.347 -10.870 -1.474 1.00 71.21 H new ATOM 0 HG13 ILE A 75 1.832 -12.087 -0.323 1.00 71.21 H new ATOM 0 HG21 ILE A 75 3.766 -9.429 -0.368 1.00 12.20 H new ATOM 0 HG22 ILE A 75 3.577 -9.065 1.364 1.00 12.20 H new ATOM 0 HG23 ILE A 75 3.932 -10.728 0.838 1.00 12.20 H new ATOM 0 HD11 ILE A 75 0.133 -11.729 -2.040 1.00 63.02 H new ATOM 0 HD12 ILE A 75 -0.482 -11.240 -0.443 1.00 63.02 H new ATOM 0 HD13 ILE A 75 0.041 -10.004 -1.611 1.00 63.02 H new ATOM 1179 N ALA A 76 2.749 -10.525 3.801 1.00 65.30 N ATOM 1180 CA ALA A 76 3.404 -9.887 4.932 1.00 51.44 C ATOM 1181 C ALA A 76 4.902 -9.813 4.689 1.00 32.13 C ATOM 1182 O ALA A 76 5.527 -10.816 4.326 1.00 63.05 O ATOM 1183 CB ALA A 76 3.113 -10.655 6.212 1.00 53.45 C ATOM 0 H ALA A 76 2.959 -11.518 3.699 1.00 65.30 H new ATOM 0 HA ALA A 76 3.015 -8.875 5.041 1.00 51.44 H new ATOM 0 HB1 ALA A 76 3.609 -10.166 7.050 1.00 53.45 H new ATOM 0 HB2 ALA A 76 2.038 -10.674 6.388 1.00 53.45 H new ATOM 0 HB3 ALA A 76 3.483 -11.676 6.116 1.00 53.45 H new ATOM 1189 N TRP A 77 5.481 -8.635 4.879 1.00 32.21 N ATOM 1190 CA TRP A 77 6.905 -8.468 4.647 1.00 13.14 C ATOM 1191 C TRP A 77 7.725 -8.858 5.868 1.00 60.24 C ATOM 1192 O TRP A 77 7.252 -8.810 7.005 1.00 11.20 O ATOM 1193 CB TRP A 77 7.257 -7.050 4.172 1.00 63.03 C ATOM 1194 CG TRP A 77 6.601 -5.929 4.927 1.00 11.34 C ATOM 1195 CD1 TRP A 77 6.888 -5.500 6.192 1.00 43.33 C ATOM 1196 CD2 TRP A 77 5.568 -5.069 4.437 1.00 53.32 C ATOM 1197 NE1 TRP A 77 6.089 -4.430 6.516 1.00 1.10 N ATOM 1198 CE2 TRP A 77 5.269 -4.149 5.457 1.00 74.34 C ATOM 1199 CE3 TRP A 77 4.863 -4.994 3.234 1.00 65.30 C ATOM 1200 CZ2 TRP A 77 4.298 -3.163 5.309 1.00 13.34 C ATOM 1201 CZ3 TRP A 77 3.901 -4.015 3.087 1.00 1.02 C ATOM 1202 CH2 TRP A 77 3.625 -3.111 4.119 1.00 55.44 C ATOM 0 H TRP A 77 4.994 -7.794 5.188 1.00 32.21 H new ATOM 0 HA TRP A 77 7.168 -9.151 3.839 1.00 13.14 H new ATOM 0 HB2 TRP A 77 8.338 -6.923 4.236 1.00 63.03 H new ATOM 0 HB3 TRP A 77 6.987 -6.962 3.120 1.00 63.03 H new ATOM 0 HD1 TRP A 77 7.632 -5.937 6.841 1.00 43.33 H new ATOM 0 HE1 TRP A 77 6.105 -3.926 7.403 1.00 1.10 H new ATOM 0 HE3 TRP A 77 5.067 -5.689 2.433 1.00 65.30 H new ATOM 0 HZ2 TRP A 77 4.084 -2.465 6.104 1.00 13.34 H new ATOM 0 HZ3 TRP A 77 3.352 -3.946 2.160 1.00 1.02 H new ATOM 0 HH2 TRP A 77 2.865 -2.357 3.973 1.00 55.44 H new ATOM 1213 N ARG A 78 8.956 -9.257 5.602 1.00 14.35 N ATOM 1214 CA ARG A 78 9.857 -9.771 6.616 1.00 63.24 C ATOM 1215 C ARG A 78 11.282 -9.314 6.284 1.00 53.33 C ATOM 1216 O ARG A 78 11.511 -8.711 5.237 1.00 30.23 O ATOM 1217 CB ARG A 78 9.755 -11.309 6.637 1.00 55.23 C ATOM 1218 CG ARG A 78 10.683 -12.005 7.618 1.00 61.34 C ATOM 1219 CD ARG A 78 10.112 -12.042 9.022 1.00 41.10 C ATOM 1220 NE ARG A 78 9.589 -13.366 9.349 1.00 63.02 N ATOM 1221 CZ ARG A 78 9.167 -13.724 10.558 1.00 61.02 C ATOM 1222 NH1 ARG A 78 9.215 -12.861 11.568 1.00 52.32 N ATOM 1223 NH2 ARG A 78 8.705 -14.948 10.763 1.00 51.30 N ATOM 0 H ARG A 78 9.362 -9.233 4.666 1.00 14.35 H new ATOM 0 HA ARG A 78 9.592 -9.393 7.603 1.00 63.24 H new ATOM 0 HB2 ARG A 78 8.728 -11.586 6.874 1.00 55.23 H new ATOM 0 HB3 ARG A 78 9.963 -11.685 5.635 1.00 55.23 H new ATOM 0 HG2 ARG A 78 10.871 -13.023 7.277 1.00 61.34 H new ATOM 0 HG3 ARG A 78 11.644 -11.491 7.632 1.00 61.34 H new ATOM 0 HD2 ARG A 78 10.886 -11.768 9.739 1.00 41.10 H new ATOM 0 HD3 ARG A 78 9.317 -11.302 9.113 1.00 41.10 H new ATOM 0 HE ARG A 78 9.545 -14.060 8.603 1.00 63.02 H new ATOM 0 HH11 ARG A 78 9.577 -11.919 11.417 1.00 52.32 H new ATOM 0 HH12 ARG A 78 8.890 -13.141 12.494 1.00 52.32 H new ATOM 0 HH21 ARG A 78 8.673 -15.617 9.993 1.00 51.30 H new ATOM 0 HH22 ARG A 78 8.381 -15.222 11.691 1.00 51.30 H new ATOM 1237 N SER A 79 12.224 -9.565 7.178 1.00 2.52 N ATOM 1238 CA SER A 79 13.626 -9.281 6.910 1.00 24.05 C ATOM 1239 C SER A 79 14.500 -10.328 7.582 1.00 51.41 C ATOM 1240 O SER A 79 15.658 -10.075 7.893 1.00 23.41 O ATOM 1241 CB SER A 79 13.997 -7.878 7.389 1.00 44.24 C ATOM 1242 OG SER A 79 13.227 -6.894 6.717 1.00 43.03 O ATOM 0 H SER A 79 12.044 -9.966 8.098 1.00 2.52 H new ATOM 0 HA SER A 79 13.793 -9.320 5.834 1.00 24.05 H new ATOM 0 HB2 SER A 79 13.834 -7.801 8.464 1.00 44.24 H new ATOM 0 HB3 SER A 79 15.058 -7.698 7.214 1.00 44.24 H new ATOM 0 HG SER A 79 13.480 -6.004 7.040 1.00 43.03 H new ATOM 1248 N LEU A 80 13.911 -11.504 7.804 1.00 71.14 N ATOM 1249 CA LEU A 80 14.625 -12.668 8.327 1.00 42.25 C ATOM 1250 C LEU A 80 15.161 -12.446 9.744 1.00 50.42 C ATOM 1251 O LEU A 80 15.464 -11.327 10.146 1.00 22.21 O ATOM 1252 CB LEU A 80 15.745 -13.072 7.355 1.00 2.32 C ATOM 1253 CG LEU A 80 15.233 -13.741 6.076 1.00 14.20 C ATOM 1254 CD1 LEU A 80 16.327 -13.945 5.054 1.00 63.35 C ATOM 1255 CD2 LEU A 80 14.606 -15.071 6.415 1.00 21.21 C ATOM 0 H LEU A 80 12.922 -11.676 7.625 1.00 71.14 H new ATOM 0 HA LEU A 80 13.911 -13.488 8.405 1.00 42.25 H new ATOM 0 HB2 LEU A 80 16.320 -12.185 7.087 1.00 2.32 H new ATOM 0 HB3 LEU A 80 16.428 -13.753 7.863 1.00 2.32 H new ATOM 0 HG LEU A 80 14.493 -13.074 5.635 1.00 14.20 H new ATOM 0 HD11 LEU A 80 15.911 -14.422 4.167 1.00 63.35 H new ATOM 0 HD12 LEU A 80 16.754 -12.980 4.781 1.00 63.35 H new ATOM 0 HD13 LEU A 80 17.106 -14.580 5.477 1.00 63.35 H new ATOM 0 HD21 LEU A 80 14.243 -15.545 5.503 1.00 21.21 H new ATOM 0 HD22 LEU A 80 15.349 -15.714 6.887 1.00 21.21 H new ATOM 0 HD23 LEU A 80 13.773 -14.916 7.100 1.00 21.21 H new ATOM 1267 N PRO A 81 15.254 -13.522 10.540 1.00 42.25 N ATOM 1268 CA PRO A 81 15.796 -13.447 11.900 1.00 51.22 C ATOM 1269 C PRO A 81 17.274 -13.054 11.920 1.00 73.21 C ATOM 1270 O PRO A 81 17.845 -12.795 12.981 1.00 72.42 O ATOM 1271 CB PRO A 81 15.600 -14.861 12.456 1.00 15.34 C ATOM 1272 CG PRO A 81 15.434 -15.736 11.263 1.00 21.44 C ATOM 1273 CD PRO A 81 14.807 -14.882 10.197 1.00 40.31 C ATOM 0 HA PRO A 81 15.295 -12.680 12.490 1.00 51.22 H new ATOM 0 HB2 PRO A 81 16.457 -15.170 13.054 1.00 15.34 H new ATOM 0 HB3 PRO A 81 14.725 -14.910 13.104 1.00 15.34 H new ATOM 0 HG2 PRO A 81 16.396 -16.128 10.932 1.00 21.44 H new ATOM 0 HG3 PRO A 81 14.803 -16.594 11.495 1.00 21.44 H new ATOM 0 HD2 PRO A 81 15.139 -15.175 9.201 1.00 40.31 H new ATOM 0 HD3 PRO A 81 13.720 -14.962 10.206 1.00 40.31 H new ATOM 1281 N GLY A 82 17.886 -13.007 10.743 1.00 13.55 N ATOM 1282 CA GLY A 82 19.256 -12.557 10.637 1.00 3.11 C ATOM 1283 C GLY A 82 19.365 -11.051 10.748 1.00 51.33 C ATOM 1284 O GLY A 82 20.058 -10.534 11.628 1.00 73.12 O ATOM 0 H GLY A 82 17.454 -13.274 9.858 1.00 13.55 H new ATOM 0 HA2 GLY A 82 19.853 -13.023 11.421 1.00 3.11 H new ATOM 0 HA3 GLY A 82 19.672 -12.882 9.683 1.00 3.11 H new ATOM 1288 N ALA A 83 18.664 -10.348 9.868 1.00 14.42 N ATOM 1289 CA ALA A 83 18.673 -8.891 9.862 1.00 32.11 C ATOM 1290 C ALA A 83 17.674 -8.319 10.864 1.00 14.42 C ATOM 1291 O ALA A 83 17.854 -7.204 11.358 1.00 71.13 O ATOM 1292 CB ALA A 83 18.369 -8.367 8.466 1.00 3.34 C ATOM 0 H ALA A 83 18.079 -10.766 9.145 1.00 14.42 H new ATOM 0 HA ALA A 83 19.670 -8.566 10.159 1.00 32.11 H new ATOM 0 HB1 ALA A 83 18.379 -7.277 8.476 1.00 3.34 H new ATOM 0 HB2 ALA A 83 19.124 -8.730 7.769 1.00 3.34 H new ATOM 0 HB3 ALA A 83 17.386 -8.718 8.152 1.00 3.34 H new ATOM 1298 N ARG A 84 16.626 -9.094 11.152 1.00 23.15 N ATOM 1299 CA ARG A 84 15.555 -8.694 12.073 1.00 74.33 C ATOM 1300 C ARG A 84 14.802 -7.473 11.546 1.00 10.12 C ATOM 1301 O ARG A 84 15.296 -6.344 11.612 1.00 42.40 O ATOM 1302 CB ARG A 84 16.082 -8.413 13.493 1.00 3.02 C ATOM 1303 CG ARG A 84 16.727 -9.613 14.172 1.00 51.12 C ATOM 1304 CD ARG A 84 18.232 -9.651 13.955 1.00 23.14 C ATOM 1305 NE ARG A 84 18.917 -8.558 14.647 1.00 33.14 N ATOM 1306 CZ ARG A 84 20.216 -8.285 14.512 1.00 1.13 C ATOM 1307 NH1 ARG A 84 20.971 -8.983 13.664 1.00 22.32 N ATOM 1308 NH2 ARG A 84 20.754 -7.296 15.211 1.00 60.13 N ATOM 0 H ARG A 84 16.494 -10.023 10.751 1.00 23.15 H new ATOM 0 HA ARG A 84 14.867 -9.537 12.133 1.00 74.33 H new ATOM 0 HB2 ARG A 84 16.810 -7.604 13.444 1.00 3.02 H new ATOM 0 HB3 ARG A 84 15.256 -8.061 14.111 1.00 3.02 H new ATOM 0 HG2 ARG A 84 16.516 -9.581 15.241 1.00 51.12 H new ATOM 0 HG3 ARG A 84 16.282 -10.530 13.786 1.00 51.12 H new ATOM 0 HD2 ARG A 84 18.624 -10.605 14.308 1.00 23.14 H new ATOM 0 HD3 ARG A 84 18.445 -9.594 12.888 1.00 23.14 H new ATOM 0 HE ARG A 84 18.367 -7.968 15.271 1.00 33.14 H new ATOM 0 HH11 ARG A 84 20.557 -9.733 13.111 1.00 22.32 H new ATOM 0 HH12 ARG A 84 21.963 -8.767 13.568 1.00 22.32 H new ATOM 0 HH21 ARG A 84 20.176 -6.748 15.848 1.00 60.13 H new ATOM 0 HH22 ARG A 84 21.747 -7.083 15.112 1.00 60.13 H new ATOM 1322 N ILE A 85 13.604 -7.698 11.017 1.00 2.11 N ATOM 1323 CA ILE A 85 12.819 -6.610 10.454 1.00 14.54 C ATOM 1324 C ILE A 85 12.307 -5.674 11.549 1.00 3.35 C ATOM 1325 O ILE A 85 11.751 -6.112 12.563 1.00 42.14 O ATOM 1326 CB ILE A 85 11.637 -7.119 9.588 1.00 11.15 C ATOM 1327 CG1 ILE A 85 10.951 -5.942 8.887 1.00 52.50 C ATOM 1328 CG2 ILE A 85 10.632 -7.897 10.423 1.00 41.22 C ATOM 1329 CD1 ILE A 85 9.859 -6.351 7.922 1.00 24.32 C ATOM 0 H ILE A 85 13.160 -8.615 10.967 1.00 2.11 H new ATOM 0 HA ILE A 85 13.489 -6.053 9.799 1.00 14.54 H new ATOM 0 HB ILE A 85 12.039 -7.797 8.835 1.00 11.15 H new ATOM 0 HG12 ILE A 85 10.525 -5.281 9.642 1.00 52.50 H new ATOM 0 HG13 ILE A 85 11.702 -5.367 8.346 1.00 52.50 H new ATOM 0 HG21 ILE A 85 9.817 -8.239 9.786 1.00 41.22 H new ATOM 0 HG22 ILE A 85 11.124 -8.758 10.876 1.00 41.22 H new ATOM 0 HG23 ILE A 85 10.234 -7.253 11.207 1.00 41.22 H new ATOM 0 HD11 ILE A 85 9.423 -5.461 7.467 1.00 24.32 H new ATOM 0 HD12 ILE A 85 10.281 -6.987 7.144 1.00 24.32 H new ATOM 0 HD13 ILE A 85 9.086 -6.900 8.459 1.00 24.32 H new ATOM 1341 N GLU A 86 12.544 -4.386 11.354 1.00 73.23 N ATOM 1342 CA GLU A 86 12.066 -3.365 12.274 1.00 55.21 C ATOM 1343 C GLU A 86 10.610 -3.030 11.971 1.00 61.13 C ATOM 1344 O GLU A 86 9.841 -2.667 12.861 1.00 64.01 O ATOM 1345 CB GLU A 86 12.932 -2.105 12.156 1.00 64.52 C ATOM 1346 CG GLU A 86 12.571 -1.008 13.146 1.00 53.43 C ATOM 1347 CD GLU A 86 13.357 0.266 12.913 1.00 1.23 C ATOM 1348 OE1 GLU A 86 14.568 0.285 13.216 1.00 62.04 O ATOM 1349 OE2 GLU A 86 12.766 1.251 12.417 1.00 35.22 O ATOM 0 H GLU A 86 13.069 -4.021 10.560 1.00 73.23 H new ATOM 0 HA GLU A 86 12.135 -3.746 13.293 1.00 55.21 H new ATOM 0 HB2 GLU A 86 13.977 -2.380 12.300 1.00 64.52 H new ATOM 0 HB3 GLU A 86 12.843 -1.710 11.144 1.00 64.52 H new ATOM 0 HG2 GLU A 86 11.505 -0.792 13.071 1.00 53.43 H new ATOM 0 HG3 GLU A 86 12.754 -1.364 14.160 1.00 53.43 H new ATOM 1356 N ASN A 87 10.238 -3.185 10.710 1.00 55.21 N ATOM 1357 CA ASN A 87 8.908 -2.820 10.246 1.00 11.22 C ATOM 1358 C ASN A 87 7.943 -3.995 10.404 1.00 23.35 C ATOM 1359 O ASN A 87 8.363 -5.119 10.680 1.00 41.24 O ATOM 1360 CB ASN A 87 8.978 -2.378 8.779 1.00 74.15 C ATOM 1361 CG ASN A 87 7.794 -1.526 8.375 1.00 23.52 C ATOM 1362 OD1 ASN A 87 6.760 -2.036 7.949 1.00 33.24 O ATOM 1363 ND2 ASN A 87 7.943 -0.219 8.503 1.00 3.14 N ATOM 0 H ASN A 87 10.845 -3.565 9.983 1.00 55.21 H new ATOM 0 HA ASN A 87 8.536 -1.993 10.850 1.00 11.22 H new ATOM 0 HB2 ASN A 87 9.898 -1.817 8.615 1.00 74.15 H new ATOM 0 HB3 ASN A 87 9.023 -3.259 8.139 1.00 74.15 H new ATOM 0 HD21 ASN A 87 7.182 0.409 8.244 1.00 3.14 H new ATOM 0 HD22 ASN A 87 8.819 0.162 8.861 1.00 3.14 H new ATOM 1370 N SER A 88 6.654 -3.731 10.247 1.00 72.35 N ATOM 1371 CA SER A 88 5.633 -4.766 10.354 1.00 53.22 C ATOM 1372 C SER A 88 4.393 -4.368 9.566 1.00 73.23 C ATOM 1373 O SER A 88 3.950 -3.219 9.638 1.00 53.40 O ATOM 1374 CB SER A 88 5.259 -4.998 11.818 1.00 71.50 C ATOM 1375 OG SER A 88 6.398 -5.338 12.592 1.00 41.34 O ATOM 0 H SER A 88 6.287 -2.801 10.043 1.00 72.35 H new ATOM 0 HA SER A 88 6.038 -5.690 9.941 1.00 53.22 H new ATOM 0 HB2 SER A 88 4.795 -4.099 12.224 1.00 71.50 H new ATOM 0 HB3 SER A 88 4.520 -5.796 11.885 1.00 71.50 H new ATOM 0 HG SER A 88 6.130 -5.479 13.524 1.00 41.34 H new ATOM 1381 N GLY A 89 3.844 -5.309 8.810 1.00 71.43 N ATOM 1382 CA GLY A 89 2.656 -5.030 8.034 1.00 70.51 C ATOM 1383 C GLY A 89 2.318 -6.146 7.064 1.00 53.41 C ATOM 1384 O GLY A 89 3.166 -6.586 6.287 1.00 42.40 O ATOM 0 H GLY A 89 4.201 -6.260 8.721 1.00 71.43 H new ATOM 0 HA2 GLY A 89 1.814 -4.873 8.709 1.00 70.51 H new ATOM 0 HA3 GLY A 89 2.798 -4.102 7.480 1.00 70.51 H new ATOM 1388 N GLU A 90 1.081 -6.612 7.120 1.00 45.55 N ATOM 1389 CA GLU A 90 0.597 -7.623 6.196 1.00 35.53 C ATOM 1390 C GLU A 90 -0.511 -7.036 5.330 1.00 1.01 C ATOM 1391 O GLU A 90 -1.545 -6.610 5.841 1.00 71.34 O ATOM 1392 CB GLU A 90 0.081 -8.838 6.969 1.00 25.21 C ATOM 1393 CG GLU A 90 -0.446 -9.952 6.081 1.00 13.11 C ATOM 1394 CD GLU A 90 -0.879 -11.162 6.877 1.00 13.03 C ATOM 1395 OE1 GLU A 90 -1.861 -11.056 7.640 1.00 51.00 O ATOM 1396 OE2 GLU A 90 -0.243 -12.228 6.746 1.00 52.05 O ATOM 0 H GLU A 90 0.389 -6.302 7.802 1.00 45.55 H new ATOM 0 HA GLU A 90 1.417 -7.945 5.554 1.00 35.53 H new ATOM 0 HB2 GLU A 90 0.887 -9.231 7.589 1.00 25.21 H new ATOM 0 HB3 GLU A 90 -0.713 -8.517 7.643 1.00 25.21 H new ATOM 0 HG2 GLU A 90 -1.290 -9.582 5.499 1.00 13.11 H new ATOM 0 HG3 GLU A 90 0.327 -10.244 5.371 1.00 13.11 H new ATOM 1403 N VAL A 91 -0.293 -6.999 4.025 1.00 71.43 N ATOM 1404 CA VAL A 91 -1.261 -6.407 3.113 1.00 4.51 C ATOM 1405 C VAL A 91 -2.302 -7.444 2.689 1.00 24.30 C ATOM 1406 O VAL A 91 -1.961 -8.567 2.323 1.00 21.33 O ATOM 1407 CB VAL A 91 -0.578 -5.800 1.858 1.00 44.32 C ATOM 1408 CG1 VAL A 91 0.620 -4.953 2.246 1.00 12.22 C ATOM 1409 CG2 VAL A 91 -0.150 -6.870 0.873 1.00 33.44 C ATOM 0 H VAL A 91 0.543 -7.371 3.574 1.00 71.43 H new ATOM 0 HA VAL A 91 -1.756 -5.597 3.649 1.00 4.51 H new ATOM 0 HB VAL A 91 -1.320 -5.167 1.371 1.00 44.32 H new ATOM 0 HG11 VAL A 91 1.080 -4.540 1.348 1.00 12.22 H new ATOM 0 HG12 VAL A 91 0.296 -4.139 2.895 1.00 12.22 H new ATOM 0 HG13 VAL A 91 1.346 -5.571 2.774 1.00 12.22 H new ATOM 0 HG21 VAL A 91 0.323 -6.402 0.010 1.00 33.44 H new ATOM 0 HG22 VAL A 91 0.558 -7.545 1.354 1.00 33.44 H new ATOM 0 HG23 VAL A 91 -1.024 -7.434 0.546 1.00 33.44 H new ATOM 1419 N LEU A 92 -3.570 -7.085 2.792 1.00 34.41 N ATOM 1420 CA LEU A 92 -4.645 -7.951 2.341 1.00 41.34 C ATOM 1421 C LEU A 92 -5.308 -7.358 1.104 1.00 73.12 C ATOM 1422 O LEU A 92 -5.385 -6.136 0.959 1.00 11.44 O ATOM 1423 CB LEU A 92 -5.687 -8.140 3.445 1.00 11.44 C ATOM 1424 CG LEU A 92 -5.323 -9.116 4.575 1.00 23.42 C ATOM 1425 CD1 LEU A 92 -4.064 -8.690 5.320 1.00 0.02 C ATOM 1426 CD2 LEU A 92 -6.482 -9.221 5.543 1.00 45.03 C ATOM 0 H LEU A 92 -3.881 -6.197 3.185 1.00 34.41 H new ATOM 0 HA LEU A 92 -4.221 -8.924 2.092 1.00 41.34 H new ATOM 0 HB2 LEU A 92 -5.893 -7.166 3.889 1.00 11.44 H new ATOM 0 HB3 LEU A 92 -6.613 -8.483 2.984 1.00 11.44 H new ATOM 0 HG LEU A 92 -5.121 -10.087 4.123 1.00 23.42 H new ATOM 0 HD11 LEU A 92 -3.847 -9.410 6.109 1.00 0.02 H new ATOM 0 HD12 LEU A 92 -3.226 -8.650 4.624 1.00 0.02 H new ATOM 0 HD13 LEU A 92 -4.218 -7.705 5.760 1.00 0.02 H new ATOM 0 HD21 LEU A 92 -6.225 -9.913 6.345 1.00 45.03 H new ATOM 0 HD22 LEU A 92 -6.693 -8.239 5.965 1.00 45.03 H new ATOM 0 HD23 LEU A 92 -7.364 -9.587 5.017 1.00 45.03 H new ATOM 1438 N PHE A 93 -5.782 -8.217 0.217 1.00 70.10 N ATOM 1439 CA PHE A 93 -6.397 -7.766 -1.023 1.00 41.03 C ATOM 1440 C PHE A 93 -7.856 -8.187 -1.100 1.00 54.23 C ATOM 1441 O PHE A 93 -8.196 -9.342 -0.830 1.00 70.01 O ATOM 1442 CB PHE A 93 -5.640 -8.324 -2.229 1.00 70.24 C ATOM 1443 CG PHE A 93 -4.201 -7.904 -2.287 1.00 54.41 C ATOM 1444 CD1 PHE A 93 -3.861 -6.605 -2.622 1.00 4.43 C ATOM 1445 CD2 PHE A 93 -3.190 -8.806 -2.004 1.00 14.11 C ATOM 1446 CE1 PHE A 93 -2.540 -6.212 -2.676 1.00 13.20 C ATOM 1447 CE2 PHE A 93 -1.867 -8.418 -2.058 1.00 2.44 C ATOM 1448 CZ PHE A 93 -1.542 -7.120 -2.394 1.00 32.01 C ATOM 0 H PHE A 93 -5.753 -9.230 0.331 1.00 70.10 H new ATOM 0 HA PHE A 93 -6.349 -6.677 -1.037 1.00 41.03 H new ATOM 0 HB2 PHE A 93 -5.691 -9.413 -2.206 1.00 70.24 H new ATOM 0 HB3 PHE A 93 -6.140 -8.001 -3.142 1.00 70.24 H new ATOM 0 HD1 PHE A 93 -4.640 -5.890 -2.844 1.00 4.43 H new ATOM 0 HD2 PHE A 93 -3.439 -9.823 -1.738 1.00 14.11 H new ATOM 0 HE1 PHE A 93 -2.288 -5.195 -2.939 1.00 13.20 H new ATOM 0 HE2 PHE A 93 -1.086 -9.130 -1.837 1.00 2.44 H new ATOM 0 HZ PHE A 93 -0.507 -6.816 -2.436 1.00 32.01 H new ATOM 1458 N ARG A 94 -8.715 -7.240 -1.449 1.00 73.03 N ATOM 1459 CA ARG A 94 -10.120 -7.527 -1.698 1.00 62.03 C ATOM 1460 C ARG A 94 -10.621 -6.690 -2.870 1.00 3.33 C ATOM 1461 O ARG A 94 -10.163 -5.560 -3.067 1.00 1.13 O ATOM 1462 CB ARG A 94 -10.966 -7.261 -0.445 1.00 23.34 C ATOM 1463 CG ARG A 94 -10.947 -5.814 0.024 1.00 43.21 C ATOM 1464 CD ARG A 94 -11.804 -5.619 1.264 1.00 74.53 C ATOM 1465 NE ARG A 94 -11.790 -4.230 1.720 1.00 14.51 N ATOM 1466 CZ ARG A 94 -11.978 -3.852 2.984 1.00 41.40 C ATOM 1467 NH1 ARG A 94 -12.218 -4.750 3.933 1.00 40.12 N ATOM 1468 NH2 ARG A 94 -11.928 -2.564 3.289 1.00 51.41 N ATOM 0 H ARG A 94 -8.461 -6.259 -1.567 1.00 73.03 H new ATOM 0 HA ARG A 94 -10.218 -8.583 -1.949 1.00 62.03 H new ATOM 0 HB2 ARG A 94 -11.997 -7.552 -0.648 1.00 23.34 H new ATOM 0 HB3 ARG A 94 -10.608 -7.898 0.364 1.00 23.34 H new ATOM 0 HG2 ARG A 94 -9.921 -5.513 0.238 1.00 43.21 H new ATOM 0 HG3 ARG A 94 -11.309 -5.167 -0.775 1.00 43.21 H new ATOM 0 HD2 ARG A 94 -12.829 -5.921 1.049 1.00 74.53 H new ATOM 0 HD3 ARG A 94 -11.442 -6.267 2.062 1.00 74.53 H new ATOM 0 HE ARG A 94 -11.625 -3.502 1.025 1.00 14.51 H new ATOM 0 HH11 ARG A 94 -12.260 -5.742 3.698 1.00 40.12 H new ATOM 0 HH12 ARG A 94 -12.360 -4.448 4.897 1.00 40.12 H new ATOM 0 HH21 ARG A 94 -11.747 -1.874 2.560 1.00 51.41 H new ATOM 0 HH22 ARG A 94 -12.070 -2.262 4.253 1.00 51.41 H new ATOM 1482 N PRO A 95 -11.536 -7.242 -3.687 1.00 14.52 N ATOM 1483 CA PRO A 95 -12.143 -6.506 -4.801 1.00 72.51 C ATOM 1484 C PRO A 95 -12.846 -5.241 -4.320 1.00 64.15 C ATOM 1485 O PRO A 95 -13.671 -5.290 -3.407 1.00 12.11 O ATOM 1486 CB PRO A 95 -13.152 -7.499 -5.388 1.00 64.10 C ATOM 1487 CG PRO A 95 -12.663 -8.838 -4.956 1.00 5.51 C ATOM 1488 CD PRO A 95 -12.040 -8.625 -3.605 1.00 55.52 C ATOM 0 HA PRO A 95 -11.403 -6.170 -5.527 1.00 72.51 H new ATOM 0 HB2 PRO A 95 -14.158 -7.307 -5.016 1.00 64.10 H new ATOM 0 HB3 PRO A 95 -13.194 -7.425 -6.475 1.00 64.10 H new ATOM 0 HG2 PRO A 95 -13.482 -9.555 -4.901 1.00 5.51 H new ATOM 0 HG3 PRO A 95 -11.937 -9.237 -5.664 1.00 5.51 H new ATOM 0 HD2 PRO A 95 -12.768 -8.743 -2.802 1.00 55.52 H new ATOM 0 HD3 PRO A 95 -11.237 -9.337 -3.414 1.00 55.52 H new ATOM 1496 N ALA A 96 -12.510 -4.116 -4.930 1.00 63.15 N ATOM 1497 CA ALA A 96 -13.023 -2.831 -4.487 1.00 24.25 C ATOM 1498 C ALA A 96 -14.497 -2.662 -4.836 1.00 61.10 C ATOM 1499 O ALA A 96 -14.954 -3.121 -5.889 1.00 14.31 O ATOM 1500 CB ALA A 96 -12.204 -1.701 -5.089 1.00 0.03 C ATOM 0 H ALA A 96 -11.884 -4.067 -5.734 1.00 63.15 H new ATOM 0 HA ALA A 96 -12.935 -2.796 -3.401 1.00 24.25 H new ATOM 0 HB1 ALA A 96 -12.599 -0.744 -4.749 1.00 0.03 H new ATOM 0 HB2 ALA A 96 -11.165 -1.797 -4.774 1.00 0.03 H new ATOM 0 HB3 ALA A 96 -12.260 -1.751 -6.176 1.00 0.03 H new ATOM 1506 N PRO A 97 -15.257 -1.996 -3.949 1.00 24.23 N ATOM 1507 CA PRO A 97 -16.679 -1.720 -4.168 1.00 14.43 C ATOM 1508 C PRO A 97 -16.915 -0.920 -5.441 1.00 32.03 C ATOM 1509 O PRO A 97 -16.162 0.004 -5.758 1.00 54.21 O ATOM 1510 CB PRO A 97 -17.094 -0.898 -2.943 1.00 50.44 C ATOM 1511 CG PRO A 97 -15.818 -0.420 -2.335 1.00 60.11 C ATOM 1512 CD PRO A 97 -14.791 -1.463 -2.658 1.00 1.34 C ATOM 0 HA PRO A 97 -17.252 -2.639 -4.286 1.00 14.43 H new ATOM 0 HB2 PRO A 97 -17.731 -0.061 -3.229 1.00 50.44 H new ATOM 0 HB3 PRO A 97 -17.662 -1.504 -2.238 1.00 50.44 H new ATOM 0 HG2 PRO A 97 -15.531 0.550 -2.742 1.00 60.11 H new ATOM 0 HG3 PRO A 97 -15.922 -0.295 -1.257 1.00 60.11 H new ATOM 0 HD2 PRO A 97 -13.791 -1.035 -2.735 1.00 1.34 H new ATOM 0 HD3 PRO A 97 -14.748 -2.238 -1.893 1.00 1.34 H new ATOM 1520 N GLY A 98 -17.947 -1.293 -6.181 1.00 51.24 N ATOM 1521 CA GLY A 98 -18.251 -0.620 -7.425 1.00 4.22 C ATOM 1522 C GLY A 98 -17.321 -1.051 -8.538 1.00 72.50 C ATOM 1523 O GLY A 98 -17.271 -0.417 -9.593 1.00 43.42 O ATOM 0 H GLY A 98 -18.582 -2.054 -5.940 1.00 51.24 H new ATOM 0 HA2 GLY A 98 -19.282 -0.831 -7.710 1.00 4.22 H new ATOM 0 HA3 GLY A 98 -18.174 0.458 -7.284 1.00 4.22 H new ATOM 1527 N ALA A 99 -16.579 -2.132 -8.286 1.00 60.35 N ATOM 1528 CA ALA A 99 -15.640 -2.689 -9.257 1.00 32.42 C ATOM 1529 C ALA A 99 -14.591 -1.658 -9.658 1.00 50.44 C ATOM 1530 O ALA A 99 -14.151 -1.614 -10.805 1.00 63.35 O ATOM 1531 CB ALA A 99 -16.383 -3.206 -10.481 1.00 24.20 C ATOM 0 H ALA A 99 -16.614 -2.644 -7.404 1.00 60.35 H new ATOM 0 HA ALA A 99 -15.124 -3.526 -8.788 1.00 32.42 H new ATOM 0 HB1 ALA A 99 -15.668 -3.617 -11.194 1.00 24.20 H new ATOM 0 HB2 ALA A 99 -17.084 -3.985 -10.179 1.00 24.20 H new ATOM 0 HB3 ALA A 99 -16.930 -2.387 -10.948 1.00 24.20 H new ATOM 1537 N ARG A 100 -14.169 -0.847 -8.694 1.00 41.43 N ATOM 1538 CA ARG A 100 -13.199 0.210 -8.961 1.00 3.24 C ATOM 1539 C ARG A 100 -11.775 -0.345 -9.038 1.00 33.31 C ATOM 1540 O ARG A 100 -10.817 0.405 -9.230 1.00 4.22 O ATOM 1541 CB ARG A 100 -13.280 1.286 -7.879 1.00 53.54 C ATOM 1542 CG ARG A 100 -14.658 1.909 -7.748 1.00 51.10 C ATOM 1543 CD ARG A 100 -15.111 2.546 -9.051 1.00 55.14 C ATOM 1544 NE ARG A 100 -16.500 2.993 -8.977 1.00 23.51 N ATOM 1545 CZ ARG A 100 -17.187 3.475 -10.009 1.00 5.14 C ATOM 1546 NH1 ARG A 100 -16.606 3.617 -11.192 1.00 11.25 N ATOM 1547 NH2 ARG A 100 -18.460 3.813 -9.855 1.00 33.43 N ATOM 0 H ARG A 100 -14.481 -0.900 -7.724 1.00 41.43 H new ATOM 0 HA ARG A 100 -13.444 0.650 -9.928 1.00 3.24 H new ATOM 0 HB2 ARG A 100 -12.994 0.850 -6.922 1.00 53.54 H new ATOM 0 HB3 ARG A 100 -12.555 2.069 -8.101 1.00 53.54 H new ATOM 0 HG2 ARG A 100 -15.376 1.146 -7.447 1.00 51.10 H new ATOM 0 HG3 ARG A 100 -14.644 2.662 -6.960 1.00 51.10 H new ATOM 0 HD2 ARG A 100 -14.467 3.394 -9.285 1.00 55.14 H new ATOM 0 HD3 ARG A 100 -15.002 1.829 -9.864 1.00 55.14 H new ATOM 0 HE ARG A 100 -16.974 2.931 -8.076 1.00 23.51 H new ATOM 0 HH11 ARG A 100 -15.628 3.356 -11.314 1.00 11.25 H new ATOM 0 HH12 ARG A 100 -17.137 3.987 -11.980 1.00 11.25 H new ATOM 0 HH21 ARG A 100 -18.911 3.703 -8.946 1.00 33.43 H new ATOM 0 HH22 ARG A 100 -18.989 4.183 -10.645 1.00 33.43 H new ATOM 1561 N GLY A 101 -11.645 -1.654 -8.881 1.00 70.23 N ATOM 1562 CA GLY A 101 -10.345 -2.290 -8.921 1.00 31.22 C ATOM 1563 C GLY A 101 -10.139 -3.192 -7.727 1.00 52.53 C ATOM 1564 O GLY A 101 -11.057 -3.906 -7.316 1.00 1.52 O ATOM 0 H GLY A 101 -12.425 -2.292 -8.725 1.00 70.23 H new ATOM 0 HA2 GLY A 101 -10.250 -2.870 -9.839 1.00 31.22 H new ATOM 0 HA3 GLY A 101 -9.566 -1.528 -8.943 1.00 31.22 H new ATOM 1568 N THR A 102 -8.950 -3.156 -7.160 1.00 33.14 N ATOM 1569 CA THR A 102 -8.660 -3.921 -5.965 1.00 43.42 C ATOM 1570 C THR A 102 -8.204 -2.997 -4.847 1.00 53.54 C ATOM 1571 O THR A 102 -7.362 -2.116 -5.054 1.00 74.40 O ATOM 1572 CB THR A 102 -7.584 -4.988 -6.230 1.00 3.42 C ATOM 1573 OG1 THR A 102 -7.988 -5.818 -7.327 1.00 32.44 O ATOM 1574 CG2 THR A 102 -7.355 -5.852 -4.998 1.00 64.33 C ATOM 0 H THR A 102 -8.167 -2.603 -7.509 1.00 33.14 H new ATOM 0 HA THR A 102 -9.577 -4.428 -5.664 1.00 43.42 H new ATOM 0 HB THR A 102 -6.651 -4.479 -6.473 1.00 3.42 H new ATOM 0 HG1 THR A 102 -7.414 -6.611 -7.366 1.00 32.44 H new ATOM 0 HG21 THR A 102 -6.590 -6.598 -5.214 1.00 64.33 H new ATOM 0 HG22 THR A 102 -7.027 -5.224 -4.169 1.00 64.33 H new ATOM 0 HG23 THR A 102 -8.284 -6.354 -4.728 1.00 64.33 H new ATOM 1582 N GLU A 103 -8.776 -3.190 -3.671 1.00 41.40 N ATOM 1583 CA GLU A 103 -8.462 -2.365 -2.526 1.00 44.41 C ATOM 1584 C GLU A 103 -7.492 -3.095 -1.608 1.00 65.42 C ATOM 1585 O GLU A 103 -7.805 -4.167 -1.082 1.00 54.40 O ATOM 1586 CB GLU A 103 -9.745 -2.004 -1.777 1.00 23.01 C ATOM 1587 CG GLU A 103 -9.519 -1.106 -0.580 1.00 34.04 C ATOM 1588 CD GLU A 103 -10.811 -0.655 0.065 1.00 20.21 C ATOM 1589 OE1 GLU A 103 -11.373 -1.413 0.887 1.00 0.50 O ATOM 1590 OE2 GLU A 103 -11.263 0.470 -0.232 1.00 30.54 O ATOM 0 H GLU A 103 -9.466 -3.919 -3.487 1.00 41.40 H new ATOM 0 HA GLU A 103 -7.988 -1.444 -2.866 1.00 44.41 H new ATOM 0 HB2 GLU A 103 -10.431 -1.511 -2.466 1.00 23.01 H new ATOM 0 HB3 GLU A 103 -10.232 -2.921 -1.445 1.00 23.01 H new ATOM 0 HG2 GLU A 103 -8.915 -1.635 0.157 1.00 34.04 H new ATOM 0 HG3 GLU A 103 -8.948 -0.231 -0.890 1.00 34.04 H new ATOM 1597 N VAL A 104 -6.310 -2.526 -1.439 1.00 12.30 N ATOM 1598 CA VAL A 104 -5.297 -3.122 -0.584 1.00 21.31 C ATOM 1599 C VAL A 104 -5.370 -2.540 0.831 1.00 64.31 C ATOM 1600 O VAL A 104 -5.010 -1.386 1.068 1.00 73.15 O ATOM 1601 CB VAL A 104 -3.872 -2.962 -1.185 1.00 34.24 C ATOM 1602 CG1 VAL A 104 -3.581 -1.528 -1.597 1.00 51.33 C ATOM 1603 CG2 VAL A 104 -2.815 -3.454 -0.211 1.00 62.42 C ATOM 0 H VAL A 104 -6.028 -1.652 -1.883 1.00 12.30 H new ATOM 0 HA VAL A 104 -5.503 -4.191 -0.523 1.00 21.31 H new ATOM 0 HB VAL A 104 -3.837 -3.576 -2.085 1.00 34.24 H new ATOM 0 HG11 VAL A 104 -2.575 -1.465 -2.011 1.00 51.33 H new ATOM 0 HG12 VAL A 104 -4.303 -1.212 -2.350 1.00 51.33 H new ATOM 0 HG13 VAL A 104 -3.656 -0.877 -0.726 1.00 51.33 H new ATOM 0 HG21 VAL A 104 -1.827 -3.332 -0.654 1.00 62.42 H new ATOM 0 HG22 VAL A 104 -2.873 -2.876 0.711 1.00 62.42 H new ATOM 0 HG23 VAL A 104 -2.986 -4.508 0.010 1.00 62.42 H new ATOM 1613 N VAL A 105 -5.870 -3.347 1.763 1.00 43.40 N ATOM 1614 CA VAL A 105 -6.016 -2.936 3.148 1.00 10.04 C ATOM 1615 C VAL A 105 -4.740 -3.233 3.926 1.00 11.21 C ATOM 1616 O VAL A 105 -4.350 -4.391 4.104 1.00 23.15 O ATOM 1617 CB VAL A 105 -7.228 -3.623 3.830 1.00 22.40 C ATOM 1618 CG1 VAL A 105 -8.534 -3.047 3.313 1.00 72.30 C ATOM 1619 CG2 VAL A 105 -7.207 -5.127 3.611 1.00 42.05 C ATOM 0 H VAL A 105 -6.183 -4.300 1.576 1.00 43.40 H new ATOM 0 HA VAL A 105 -6.199 -1.861 3.152 1.00 10.04 H new ATOM 0 HB VAL A 105 -7.153 -3.429 4.900 1.00 22.40 H new ATOM 0 HG11 VAL A 105 -9.371 -3.543 3.805 1.00 72.30 H new ATOM 0 HG12 VAL A 105 -8.570 -1.979 3.526 1.00 72.30 H new ATOM 0 HG13 VAL A 105 -8.600 -3.205 2.237 1.00 72.30 H new ATOM 0 HG21 VAL A 105 -8.070 -5.578 4.102 1.00 42.05 H new ATOM 0 HG22 VAL A 105 -7.245 -5.340 2.543 1.00 42.05 H new ATOM 0 HG23 VAL A 105 -6.292 -5.543 4.032 1.00 42.05 H new ATOM 1629 N VAL A 106 -4.079 -2.184 4.373 1.00 72.11 N ATOM 1630 CA VAL A 106 -2.803 -2.329 5.046 1.00 21.10 C ATOM 1631 C VAL A 106 -2.814 -1.688 6.429 1.00 51.13 C ATOM 1632 O VAL A 106 -3.327 -0.585 6.621 1.00 63.51 O ATOM 1633 CB VAL A 106 -1.654 -1.722 4.208 1.00 44.01 C ATOM 1634 CG1 VAL A 106 -1.490 -2.473 2.902 1.00 14.13 C ATOM 1635 CG2 VAL A 106 -1.894 -0.248 3.927 1.00 43.43 C ATOM 0 H VAL A 106 -4.404 -1.221 4.283 1.00 72.11 H new ATOM 0 HA VAL A 106 -2.634 -3.400 5.162 1.00 21.10 H new ATOM 0 HB VAL A 106 -0.738 -1.817 4.791 1.00 44.01 H new ATOM 0 HG11 VAL A 106 -0.677 -2.030 2.327 1.00 14.13 H new ATOM 0 HG12 VAL A 106 -1.261 -3.518 3.110 1.00 14.13 H new ATOM 0 HG13 VAL A 106 -2.415 -2.412 2.328 1.00 14.13 H new ATOM 0 HG21 VAL A 106 -1.068 0.149 3.336 1.00 43.43 H new ATOM 0 HG22 VAL A 106 -2.826 -0.130 3.374 1.00 43.43 H new ATOM 0 HG23 VAL A 106 -1.960 0.296 4.869 1.00 43.43 H new ATOM 1645 N ARG A 107 -2.276 -2.411 7.397 1.00 25.11 N ATOM 1646 CA ARG A 107 -2.019 -1.861 8.719 1.00 63.44 C ATOM 1647 C ARG A 107 -0.521 -1.929 8.968 1.00 13.32 C ATOM 1648 O ARG A 107 0.006 -2.979 9.338 1.00 33.11 O ATOM 1649 CB ARG A 107 -2.758 -2.632 9.828 1.00 4.50 C ATOM 1650 CG ARG A 107 -4.281 -2.628 9.723 1.00 1.31 C ATOM 1651 CD ARG A 107 -4.789 -3.646 8.712 1.00 71.21 C ATOM 1652 NE ARG A 107 -4.275 -4.984 8.989 1.00 45.30 N ATOM 1653 CZ ARG A 107 -3.754 -5.788 8.068 1.00 62.44 C ATOM 1654 NH1 ARG A 107 -3.780 -5.445 6.784 1.00 72.45 N ATOM 1655 NH2 ARG A 107 -3.224 -6.948 8.426 1.00 11.42 N ATOM 0 H ARG A 107 -2.006 -3.389 7.291 1.00 25.11 H new ATOM 0 HA ARG A 107 -2.384 -0.834 8.746 1.00 63.44 H new ATOM 0 HB2 ARG A 107 -2.413 -3.666 9.821 1.00 4.50 H new ATOM 0 HB3 ARG A 107 -2.476 -2.208 10.792 1.00 4.50 H new ATOM 0 HG2 ARG A 107 -4.712 -2.843 10.701 1.00 1.31 H new ATOM 0 HG3 ARG A 107 -4.621 -1.633 9.437 1.00 1.31 H new ATOM 0 HD2 ARG A 107 -5.879 -3.664 8.730 1.00 71.21 H new ATOM 0 HD3 ARG A 107 -4.491 -3.342 7.708 1.00 71.21 H new ATOM 0 HE ARG A 107 -4.318 -5.323 9.950 1.00 45.30 H new ATOM 0 HH11 ARG A 107 -4.201 -4.560 6.501 1.00 72.45 H new ATOM 0 HH12 ARG A 107 -3.378 -6.066 6.082 1.00 72.45 H new ATOM 0 HH21 ARG A 107 -3.216 -7.224 9.408 1.00 11.42 H new ATOM 0 HH22 ARG A 107 -2.824 -7.566 7.720 1.00 11.42 H new ATOM 1669 N LEU A 108 0.170 -0.827 8.745 1.00 54.10 N ATOM 1670 CA LEU A 108 1.622 -0.827 8.822 1.00 64.25 C ATOM 1671 C LEU A 108 2.117 0.343 9.649 1.00 23.12 C ATOM 1672 O LEU A 108 1.525 1.420 9.641 1.00 61.13 O ATOM 1673 CB LEU A 108 2.253 -0.781 7.418 1.00 14.34 C ATOM 1674 CG LEU A 108 2.166 0.563 6.676 1.00 44.15 C ATOM 1675 CD1 LEU A 108 3.061 0.549 5.449 1.00 40.02 C ATOM 1676 CD2 LEU A 108 0.735 0.871 6.263 1.00 62.01 C ATOM 0 H LEU A 108 -0.245 0.075 8.511 1.00 54.10 H new ATOM 0 HA LEU A 108 1.926 -1.755 9.307 1.00 64.25 H new ATOM 0 HB2 LEU A 108 3.304 -1.056 7.506 1.00 14.34 H new ATOM 0 HB3 LEU A 108 1.775 -1.543 6.803 1.00 14.34 H new ATOM 0 HG LEU A 108 2.504 1.342 7.359 1.00 44.15 H new ATOM 0 HD11 LEU A 108 2.988 1.507 4.935 1.00 40.02 H new ATOM 0 HD12 LEU A 108 4.093 0.378 5.754 1.00 40.02 H new ATOM 0 HD13 LEU A 108 2.744 -0.248 4.777 1.00 40.02 H new ATOM 0 HD21 LEU A 108 0.705 1.827 5.741 1.00 62.01 H new ATOM 0 HD22 LEU A 108 0.370 0.085 5.602 1.00 62.01 H new ATOM 0 HD23 LEU A 108 0.103 0.922 7.150 1.00 62.01 H new ATOM 1688 N THR A 109 3.192 0.117 10.379 1.00 42.10 N ATOM 1689 CA THR A 109 3.830 1.178 11.129 1.00 2.32 C ATOM 1690 C THR A 109 5.012 1.715 10.336 1.00 74.20 C ATOM 1691 O THR A 109 5.749 0.953 9.712 1.00 42.32 O ATOM 1692 CB THR A 109 4.294 0.696 12.523 1.00 61.34 C ATOM 1693 OG1 THR A 109 4.929 1.765 13.236 1.00 25.35 O ATOM 1694 CG2 THR A 109 5.251 -0.476 12.410 1.00 43.33 C ATOM 0 H THR A 109 3.642 -0.794 10.468 1.00 42.10 H new ATOM 0 HA THR A 109 3.100 1.972 11.287 1.00 2.32 H new ATOM 0 HB THR A 109 3.409 0.370 13.070 1.00 61.34 H new ATOM 0 HG1 THR A 109 5.216 1.446 14.117 1.00 25.35 H new ATOM 0 HG21 THR A 109 5.559 -0.792 13.407 1.00 43.33 H new ATOM 0 HG22 THR A 109 4.754 -1.304 11.905 1.00 43.33 H new ATOM 0 HG23 THR A 109 6.128 -0.175 11.837 1.00 43.33 H new ATOM 1702 N TYR A 110 5.173 3.023 10.334 1.00 1.11 N ATOM 1703 CA TYR A 110 6.238 3.652 9.575 1.00 40.52 C ATOM 1704 C TYR A 110 6.507 5.053 10.099 1.00 31.33 C ATOM 1705 O TYR A 110 5.811 5.533 10.998 1.00 40.13 O ATOM 1706 CB TYR A 110 5.887 3.688 8.080 1.00 73.52 C ATOM 1707 CG TYR A 110 4.662 4.514 7.728 1.00 71.53 C ATOM 1708 CD1 TYR A 110 3.377 3.991 7.847 1.00 3.51 C ATOM 1709 CD2 TYR A 110 4.796 5.814 7.261 1.00 24.13 C ATOM 1710 CE1 TYR A 110 2.268 4.742 7.504 1.00 32.54 C ATOM 1711 CE2 TYR A 110 3.693 6.571 6.920 1.00 24.24 C ATOM 1712 CZ TYR A 110 2.432 6.032 7.046 1.00 50.54 C ATOM 1713 OH TYR A 110 1.332 6.784 6.703 1.00 71.54 O ATOM 0 H TYR A 110 4.580 3.673 10.850 1.00 1.11 H new ATOM 0 HA TYR A 110 7.145 3.061 9.697 1.00 40.52 H new ATOM 0 HB2 TYR A 110 6.742 4.082 7.531 1.00 73.52 H new ATOM 0 HB3 TYR A 110 5.729 2.666 7.734 1.00 73.52 H new ATOM 0 HD1 TYR A 110 3.245 2.983 8.213 1.00 3.51 H new ATOM 0 HD2 TYR A 110 5.783 6.242 7.162 1.00 24.13 H new ATOM 0 HE1 TYR A 110 1.278 4.320 7.594 1.00 32.54 H new ATOM 0 HE2 TYR A 110 3.818 7.580 6.556 1.00 24.24 H new ATOM 0 HH TYR A 110 1.487 7.214 5.836 1.00 71.54 H new ATOM 1782 N GLY A 115 7.575 17.275 6.102 1.00 22.11 N ATOM 1783 CA GLY A 115 6.922 18.367 5.405 1.00 64.23 C ATOM 1784 C GLY A 115 5.569 17.974 4.843 1.00 11.51 C ATOM 1785 O GLY A 115 5.488 17.357 3.780 1.00 31.20 O ATOM 0 HA2 GLY A 115 6.797 19.207 6.089 1.00 64.23 H new ATOM 0 HA3 GLY A 115 7.563 18.710 4.593 1.00 64.23 H new ATOM 1789 N SER A 116 4.507 18.344 5.548 1.00 42.45 N ATOM 1790 CA SER A 116 3.151 18.039 5.117 1.00 43.43 C ATOM 1791 C SER A 116 2.736 18.917 3.932 1.00 33.53 C ATOM 1792 O SER A 116 1.841 18.560 3.161 1.00 51.12 O ATOM 1793 CB SER A 116 2.187 18.241 6.286 1.00 10.00 C ATOM 1794 OG SER A 116 2.618 17.514 7.428 1.00 54.33 O ATOM 0 H SER A 116 4.561 18.859 6.427 1.00 42.45 H new ATOM 0 HA SER A 116 3.117 17.000 4.790 1.00 43.43 H new ATOM 0 HB2 SER A 116 2.120 19.302 6.529 1.00 10.00 H new ATOM 0 HB3 SER A 116 1.187 17.916 5.999 1.00 10.00 H new ATOM 0 HG SER A 116 1.988 17.659 8.165 1.00 54.33 H new ATOM 1800 N ALA A 117 3.404 20.060 3.784 1.00 74.53 N ATOM 1801 CA ALA A 117 3.111 20.994 2.699 1.00 32.53 C ATOM 1802 C ALA A 117 3.352 20.359 1.331 1.00 2.05 C ATOM 1803 O ALA A 117 2.781 20.788 0.328 1.00 43.24 O ATOM 1804 CB ALA A 117 3.945 22.255 2.845 1.00 62.53 C ATOM 0 H ALA A 117 4.155 20.362 4.405 1.00 74.53 H new ATOM 0 HA ALA A 117 2.055 21.256 2.765 1.00 32.53 H new ATOM 0 HB1 ALA A 117 3.715 22.940 2.029 1.00 62.53 H new ATOM 0 HB2 ALA A 117 3.716 22.734 3.797 1.00 62.53 H new ATOM 0 HB3 ALA A 117 5.004 21.997 2.814 1.00 62.53 H new ATOM 1810 N GLY A 118 4.188 19.326 1.303 1.00 25.53 N ATOM 1811 CA GLY A 118 4.472 18.625 0.065 1.00 43.44 C ATOM 1812 C GLY A 118 3.244 17.941 -0.511 1.00 0.14 C ATOM 1813 O GLY A 118 3.201 17.634 -1.701 1.00 44.43 O ATOM 0 H GLY A 118 4.676 18.961 2.121 1.00 25.53 H new ATOM 0 HA2 GLY A 118 4.867 19.331 -0.666 1.00 43.44 H new ATOM 0 HA3 GLY A 118 5.249 17.881 0.242 1.00 43.44 H new ATOM 1817 N ALA A 119 2.254 17.685 0.337 1.00 12.42 N ATOM 1818 CA ALA A 119 1.015 17.058 -0.102 1.00 24.25 C ATOM 1819 C ALA A 119 0.014 18.094 -0.614 1.00 10.02 C ATOM 1820 O ALA A 119 -0.598 17.916 -1.668 1.00 60.51 O ATOM 1821 CB ALA A 119 0.404 16.247 1.031 1.00 75.00 C ATOM 0 H ALA A 119 2.286 17.903 1.333 1.00 12.42 H new ATOM 0 HA ALA A 119 1.254 16.389 -0.929 1.00 24.25 H new ATOM 0 HB1 ALA A 119 -0.522 15.784 0.689 1.00 75.00 H new ATOM 0 HB2 ALA A 119 1.104 15.472 1.342 1.00 75.00 H new ATOM 0 HB3 ALA A 119 0.191 16.904 1.875 1.00 75.00 H new ATOM 1827 N VAL A 120 -0.128 19.191 0.127 1.00 42.34 N ATOM 1828 CA VAL A 120 -1.154 20.192 -0.159 1.00 61.32 C ATOM 1829 C VAL A 120 -0.892 20.933 -1.471 1.00 11.11 C ATOM 1830 O VAL A 120 -1.793 21.566 -2.022 1.00 42.01 O ATOM 1831 CB VAL A 120 -1.297 21.215 0.993 1.00 74.15 C ATOM 1832 CG1 VAL A 120 -1.646 20.509 2.294 1.00 54.50 C ATOM 1833 CG2 VAL A 120 -0.031 22.044 1.161 1.00 4.20 C ATOM 0 H VAL A 120 0.457 19.410 0.933 1.00 42.34 H new ATOM 0 HA VAL A 120 -2.089 19.640 -0.258 1.00 61.32 H new ATOM 0 HB VAL A 120 -2.109 21.894 0.734 1.00 74.15 H new ATOM 0 HG11 VAL A 120 -1.742 21.245 3.093 1.00 54.50 H new ATOM 0 HG12 VAL A 120 -2.589 19.975 2.177 1.00 54.50 H new ATOM 0 HG13 VAL A 120 -0.857 19.801 2.547 1.00 54.50 H new ATOM 0 HG21 VAL A 120 -0.166 22.752 1.978 1.00 4.20 H new ATOM 0 HG22 VAL A 120 0.808 21.385 1.386 1.00 4.20 H new ATOM 0 HG23 VAL A 120 0.172 22.588 0.239 1.00 4.20 H new ATOM 1843 N ILE A 121 0.337 20.860 -1.969 1.00 41.31 N ATOM 1844 CA ILE A 121 0.688 21.498 -3.235 1.00 13.02 C ATOM 1845 C ILE A 121 -0.136 20.895 -4.384 1.00 1.33 C ATOM 1846 O ILE A 121 -0.462 21.577 -5.356 1.00 23.12 O ATOM 1847 CB ILE A 121 2.217 21.375 -3.512 1.00 14.02 C ATOM 1848 CG1 ILE A 121 2.684 22.351 -4.611 1.00 2.31 C ATOM 1849 CG2 ILE A 121 2.595 19.941 -3.869 1.00 34.55 C ATOM 1850 CD1 ILE A 121 2.463 21.874 -6.035 1.00 74.32 C ATOM 0 H ILE A 121 1.107 20.367 -1.517 1.00 41.31 H new ATOM 0 HA ILE A 121 0.449 22.559 -3.167 1.00 13.02 H new ATOM 0 HB ILE A 121 2.732 21.648 -2.591 1.00 14.02 H new ATOM 0 HG12 ILE A 121 2.164 23.299 -4.478 1.00 2.31 H new ATOM 0 HG13 ILE A 121 3.747 22.548 -4.472 1.00 2.31 H new ATOM 0 HG21 ILE A 121 3.667 19.883 -4.057 1.00 34.55 H new ATOM 0 HG22 ILE A 121 2.336 19.280 -3.042 1.00 34.55 H new ATOM 0 HG23 ILE A 121 2.053 19.634 -4.763 1.00 34.55 H new ATOM 0 HD11 ILE A 121 2.824 22.630 -6.732 1.00 74.32 H new ATOM 0 HD12 ILE A 121 3.007 20.943 -6.195 1.00 74.32 H new ATOM 0 HD13 ILE A 121 1.399 21.706 -6.201 1.00 74.32 H new ATOM 1862 N ALA A 122 -0.522 19.634 -4.233 1.00 2.34 N ATOM 1863 CA ALA A 122 -1.262 18.931 -5.272 1.00 62.04 C ATOM 1864 C ALA A 122 -2.681 19.476 -5.421 1.00 73.24 C ATOM 1865 O ALA A 122 -3.320 19.274 -6.450 1.00 34.24 O ATOM 1866 CB ALA A 122 -1.294 17.439 -4.974 1.00 25.23 C ATOM 0 H ALA A 122 -0.334 19.077 -3.399 1.00 2.34 H new ATOM 0 HA ALA A 122 -0.747 19.095 -6.218 1.00 62.04 H new ATOM 0 HB1 ALA A 122 -1.850 16.923 -5.757 1.00 25.23 H new ATOM 0 HB2 ALA A 122 -0.275 17.053 -4.938 1.00 25.23 H new ATOM 0 HB3 ALA A 122 -1.780 17.270 -4.013 1.00 25.23 H new ATOM 1872 N ARG A 123 -3.164 20.185 -4.404 1.00 70.50 N ATOM 1873 CA ARG A 123 -4.535 20.694 -4.410 1.00 61.13 C ATOM 1874 C ARG A 123 -4.734 21.745 -5.507 1.00 53.30 C ATOM 1875 O ARG A 123 -5.867 22.072 -5.865 1.00 24.23 O ATOM 1876 CB ARG A 123 -4.894 21.289 -3.047 1.00 73.34 C ATOM 1877 CG ARG A 123 -6.348 21.724 -2.941 1.00 63.21 C ATOM 1878 CD ARG A 123 -6.581 22.614 -1.732 1.00 62.43 C ATOM 1879 NE ARG A 123 -5.690 23.772 -1.739 1.00 64.34 N ATOM 1880 CZ ARG A 123 -5.964 24.931 -2.335 1.00 11.34 C ATOM 1881 NH1 ARG A 123 -7.117 25.108 -2.971 1.00 2.44 N ATOM 1882 NH2 ARG A 123 -5.078 25.919 -2.292 1.00 61.13 N ATOM 0 H ARG A 123 -2.630 20.420 -3.568 1.00 70.50 H new ATOM 0 HA ARG A 123 -5.198 19.854 -4.617 1.00 61.13 H new ATOM 0 HB2 ARG A 123 -4.686 20.552 -2.271 1.00 73.34 H new ATOM 0 HB3 ARG A 123 -4.251 22.147 -2.853 1.00 73.34 H new ATOM 0 HG2 ARG A 123 -6.635 22.258 -3.847 1.00 63.21 H new ATOM 0 HG3 ARG A 123 -6.987 20.844 -2.874 1.00 63.21 H new ATOM 0 HD2 ARG A 123 -7.617 22.951 -1.722 1.00 62.43 H new ATOM 0 HD3 ARG A 123 -6.424 22.038 -0.820 1.00 62.43 H new ATOM 0 HE ARG A 123 -4.797 23.687 -1.254 1.00 64.34 H new ATOM 0 HH11 ARG A 123 -7.801 24.353 -3.006 1.00 2.44 H new ATOM 0 HH12 ARG A 123 -7.318 25.999 -3.424 1.00 2.44 H new ATOM 0 HH21 ARG A 123 -4.192 25.789 -1.804 1.00 61.13 H new ATOM 0 HH22 ARG A 123 -5.283 26.808 -2.747 1.00 61.13 H new ATOM 1896 N MET A 124 -3.628 22.268 -6.037 1.00 23.20 N ATOM 1897 CA MET A 124 -3.677 23.228 -7.140 1.00 75.11 C ATOM 1898 C MET A 124 -4.461 22.639 -8.310 1.00 44.22 C ATOM 1899 O MET A 124 -5.289 23.317 -8.925 1.00 54.02 O ATOM 1900 CB MET A 124 -2.261 23.596 -7.590 1.00 52.23 C ATOM 1901 CG MET A 124 -2.218 24.612 -8.723 1.00 0.31 C ATOM 1902 SD MET A 124 -0.536 24.985 -9.260 1.00 23.05 S ATOM 1903 CE MET A 124 0.155 25.682 -7.762 1.00 62.24 C ATOM 0 H MET A 124 -2.685 22.042 -5.719 1.00 23.20 H new ATOM 0 HA MET A 124 -4.179 24.132 -6.794 1.00 75.11 H new ATOM 0 HB2 MET A 124 -1.711 23.994 -6.737 1.00 52.23 H new ATOM 0 HB3 MET A 124 -1.744 22.690 -7.908 1.00 52.23 H new ATOM 0 HG2 MET A 124 -2.789 24.231 -9.569 1.00 0.31 H new ATOM 0 HG3 MET A 124 -2.704 25.532 -8.399 1.00 0.31 H new ATOM 0 HE1 MET A 124 1.046 26.259 -8.007 1.00 62.24 H new ATOM 0 HE2 MET A 124 -0.581 26.333 -7.291 1.00 62.24 H new ATOM 0 HE3 MET A 124 0.421 24.878 -7.076 1.00 62.24 H new ATOM 2057 N ARG A 134 -6.523 10.704 4.975 1.00 34.00 N ATOM 2058 CA ARG A 134 -5.604 9.698 4.410 1.00 4.42 C ATOM 2059 C ARG A 134 -4.601 10.308 3.420 1.00 70.15 C ATOM 2060 O ARG A 134 -4.149 9.639 2.488 1.00 50.31 O ATOM 2061 CB ARG A 134 -6.411 8.560 3.754 1.00 74.42 C ATOM 2062 CG ARG A 134 -7.112 8.944 2.459 1.00 23.10 C ATOM 2063 CD ARG A 134 -8.487 8.313 2.341 1.00 53.52 C ATOM 2064 NE ARG A 134 -8.443 6.855 2.372 1.00 60.43 N ATOM 2065 CZ ARG A 134 -9.412 6.082 1.898 1.00 3.25 C ATOM 2066 NH1 ARG A 134 -10.474 6.622 1.313 1.00 71.52 N ATOM 2067 NH2 ARG A 134 -9.322 4.772 2.012 1.00 63.31 N ATOM 0 HA ARG A 134 -5.014 9.290 5.231 1.00 4.42 H new ATOM 0 HB2 ARG A 134 -5.740 7.725 3.554 1.00 74.42 H new ATOM 0 HB3 ARG A 134 -7.158 8.206 4.465 1.00 74.42 H new ATOM 0 HG2 ARG A 134 -7.207 10.029 2.407 1.00 23.10 H new ATOM 0 HG3 ARG A 134 -6.499 8.637 1.612 1.00 23.10 H new ATOM 0 HD2 ARG A 134 -9.117 8.671 3.155 1.00 53.52 H new ATOM 0 HD3 ARG A 134 -8.953 8.638 1.411 1.00 53.52 H new ATOM 0 HE ARG A 134 -7.623 6.406 2.780 1.00 60.43 H new ATOM 0 HH11 ARG A 134 -10.548 7.636 1.226 1.00 71.52 H new ATOM 0 HH12 ARG A 134 -11.216 6.023 0.950 1.00 71.52 H new ATOM 0 HH21 ARG A 134 -8.509 4.354 2.464 1.00 63.31 H new ATOM 0 HH22 ARG A 134 -10.066 4.176 1.648 1.00 63.31 H new ATOM 2081 N ASP A 135 -4.215 11.558 3.679 1.00 20.42 N ATOM 2082 CA ASP A 135 -3.368 12.343 2.773 1.00 22.44 C ATOM 2083 C ASP A 135 -2.136 11.563 2.325 1.00 20.05 C ATOM 2084 O ASP A 135 -1.859 11.441 1.130 1.00 62.33 O ATOM 2085 CB ASP A 135 -2.898 13.625 3.469 1.00 21.50 C ATOM 2086 CG ASP A 135 -4.008 14.362 4.187 1.00 74.32 C ATOM 2087 OD1 ASP A 135 -4.464 13.867 5.242 1.00 11.13 O ATOM 2088 OD2 ASP A 135 -4.411 15.444 3.719 1.00 63.53 O ATOM 0 H ASP A 135 -4.481 12.059 4.527 1.00 20.42 H new ATOM 0 HA ASP A 135 -3.973 12.579 1.897 1.00 22.44 H new ATOM 0 HB2 ASP A 135 -2.116 13.374 4.186 1.00 21.50 H new ATOM 0 HB3 ASP A 135 -2.451 14.289 2.729 1.00 21.50 H new ATOM 2093 N ASP A 136 -1.410 11.029 3.300 1.00 34.31 N ATOM 2094 CA ASP A 136 -0.137 10.358 3.044 1.00 74.25 C ATOM 2095 C ASP A 136 -0.301 9.132 2.147 1.00 51.02 C ATOM 2096 O ASP A 136 0.527 8.879 1.275 1.00 34.13 O ATOM 2097 CB ASP A 136 0.524 9.954 4.364 1.00 43.14 C ATOM 2098 CG ASP A 136 1.851 9.251 4.149 1.00 44.12 C ATOM 2099 OD1 ASP A 136 2.822 9.924 3.747 1.00 40.33 O ATOM 2100 OD2 ASP A 136 1.919 8.026 4.371 1.00 55.13 O ATOM 0 H ASP A 136 -1.682 11.047 4.283 1.00 34.31 H new ATOM 0 HA ASP A 136 0.501 11.068 2.518 1.00 74.25 H new ATOM 0 HB2 ASP A 136 0.680 10.842 4.977 1.00 43.14 H new ATOM 0 HB3 ASP A 136 -0.147 9.298 4.919 1.00 43.14 H new ATOM 2105 N LEU A 137 -1.369 8.379 2.346 1.00 70.53 N ATOM 2106 CA LEU A 137 -1.575 7.150 1.592 1.00 60.45 C ATOM 2107 C LEU A 137 -2.142 7.451 0.200 1.00 23.45 C ATOM 2108 O LEU A 137 -2.034 6.635 -0.716 1.00 64.04 O ATOM 2109 CB LEU A 137 -2.493 6.198 2.364 1.00 3.34 C ATOM 2110 CG LEU A 137 -2.433 4.734 1.912 1.00 63.33 C ATOM 2111 CD1 LEU A 137 -1.002 4.222 1.951 1.00 0.22 C ATOM 2112 CD2 LEU A 137 -3.317 3.864 2.788 1.00 12.12 C ATOM 0 H LEU A 137 -2.105 8.594 3.019 1.00 70.53 H new ATOM 0 HA LEU A 137 -0.609 6.662 1.459 1.00 60.45 H new ATOM 0 HB2 LEU A 137 -2.236 6.247 3.422 1.00 3.34 H new ATOM 0 HB3 LEU A 137 -3.520 6.550 2.269 1.00 3.34 H new ATOM 0 HG LEU A 137 -2.799 4.683 0.886 1.00 63.33 H new ATOM 0 HD11 LEU A 137 -0.979 3.182 1.627 1.00 0.22 H new ATOM 0 HD12 LEU A 137 -0.382 4.823 1.286 1.00 0.22 H new ATOM 0 HD13 LEU A 137 -0.617 4.294 2.968 1.00 0.22 H new ATOM 0 HD21 LEU A 137 -3.259 2.829 2.450 1.00 12.12 H new ATOM 0 HD22 LEU A 137 -2.979 3.927 3.822 1.00 12.12 H new ATOM 0 HD23 LEU A 137 -4.348 4.210 2.722 1.00 12.12 H new ATOM 2124 N MET A 138 -2.734 8.630 0.038 1.00 4.53 N ATOM 2125 CA MET A 138 -3.331 9.014 -1.241 1.00 51.42 C ATOM 2126 C MET A 138 -2.278 9.166 -2.334 1.00 32.01 C ATOM 2127 O MET A 138 -2.487 8.730 -3.467 1.00 61.12 O ATOM 2128 CB MET A 138 -4.128 10.310 -1.105 1.00 41.03 C ATOM 2129 CG MET A 138 -5.450 10.158 -0.366 1.00 53.30 C ATOM 2130 SD MET A 138 -6.613 9.053 -1.201 1.00 53.12 S ATOM 2131 CE MET A 138 -6.046 7.440 -0.662 1.00 4.12 C ATOM 0 H MET A 138 -2.814 9.335 0.771 1.00 4.53 H new ATOM 0 HA MET A 138 -4.007 8.210 -1.531 1.00 51.42 H new ATOM 0 HB2 MET A 138 -3.516 11.046 -0.583 1.00 41.03 H new ATOM 0 HB3 MET A 138 -4.325 10.708 -2.101 1.00 41.03 H new ATOM 0 HG2 MET A 138 -5.256 9.779 0.637 1.00 53.30 H new ATOM 0 HG3 MET A 138 -5.910 11.140 -0.252 1.00 53.30 H new ATOM 0 HE1 MET A 138 -5.642 6.893 -1.514 1.00 4.12 H new ATOM 0 HE2 MET A 138 -5.269 7.561 0.093 1.00 4.12 H new ATOM 0 HE3 MET A 138 -6.882 6.884 -0.237 1.00 4.12 H new ATOM 2141 N ARG A 139 -1.145 9.773 -1.994 1.00 4.45 N ATOM 2142 CA ARG A 139 -0.056 9.933 -2.954 1.00 15.23 C ATOM 2143 C ARG A 139 0.470 8.567 -3.394 1.00 31.11 C ATOM 2144 O ARG A 139 0.896 8.393 -4.535 1.00 24.34 O ATOM 2145 CB ARG A 139 1.082 10.776 -2.364 1.00 32.25 C ATOM 2146 CG ARG A 139 1.667 10.209 -1.082 1.00 4.44 C ATOM 2147 CD ARG A 139 2.852 11.022 -0.588 1.00 2.25 C ATOM 2148 NE ARG A 139 3.336 10.549 0.712 1.00 63.45 N ATOM 2149 CZ ARG A 139 4.607 10.249 0.977 1.00 62.21 C ATOM 2150 NH1 ARG A 139 5.523 10.292 0.015 1.00 33.43 N ATOM 2151 NH2 ARG A 139 4.952 9.877 2.201 1.00 54.43 N ATOM 0 H ARG A 139 -0.957 10.160 -1.069 1.00 4.45 H new ATOM 0 HA ARG A 139 -0.449 10.457 -3.825 1.00 15.23 H new ATOM 0 HB2 ARG A 139 1.876 10.866 -3.105 1.00 32.25 H new ATOM 0 HB3 ARG A 139 0.712 11.783 -2.169 1.00 32.25 H new ATOM 0 HG2 ARG A 139 0.897 10.186 -0.311 1.00 4.44 H new ATOM 0 HG3 ARG A 139 1.980 9.179 -1.251 1.00 4.44 H new ATOM 0 HD2 ARG A 139 3.660 10.967 -1.318 1.00 2.25 H new ATOM 0 HD3 ARG A 139 2.565 12.071 -0.509 1.00 2.25 H new ATOM 0 HE ARG A 139 2.655 10.442 1.464 1.00 63.45 H new ATOM 0 HH11 ARG A 139 5.255 10.556 -0.933 1.00 33.43 H new ATOM 0 HH12 ARG A 139 6.494 10.061 0.225 1.00 33.43 H new ATOM 0 HH21 ARG A 139 4.246 9.821 2.935 1.00 54.43 H new ATOM 0 HH22 ARG A 139 5.924 9.646 2.409 1.00 54.43 H new ATOM 2165 N PHE A 140 0.396 7.596 -2.487 1.00 20.35 N ATOM 2166 CA PHE A 140 0.830 6.234 -2.771 1.00 41.41 C ATOM 2167 C PHE A 140 -0.048 5.613 -3.857 1.00 4.15 C ATOM 2168 O PHE A 140 0.455 5.000 -4.799 1.00 63.05 O ATOM 2169 CB PHE A 140 0.778 5.392 -1.492 1.00 64.03 C ATOM 2170 CG PHE A 140 1.139 3.948 -1.695 1.00 41.45 C ATOM 2171 CD1 PHE A 140 2.465 3.557 -1.802 1.00 44.52 C ATOM 2172 CD2 PHE A 140 0.151 2.981 -1.773 1.00 41.33 C ATOM 2173 CE1 PHE A 140 2.797 2.228 -1.990 1.00 35.03 C ATOM 2174 CE2 PHE A 140 0.476 1.652 -1.961 1.00 71.55 C ATOM 2175 CZ PHE A 140 1.801 1.275 -2.067 1.00 62.33 C ATOM 0 H PHE A 140 0.036 7.731 -1.542 1.00 20.35 H new ATOM 0 HA PHE A 140 1.858 6.258 -3.133 1.00 41.41 H new ATOM 0 HB2 PHE A 140 1.456 5.825 -0.756 1.00 64.03 H new ATOM 0 HB3 PHE A 140 -0.226 5.449 -1.072 1.00 64.03 H new ATOM 0 HD1 PHE A 140 3.247 4.299 -1.738 1.00 44.52 H new ATOM 0 HD2 PHE A 140 -0.886 3.270 -1.686 1.00 41.33 H new ATOM 0 HE1 PHE A 140 3.833 1.936 -2.076 1.00 35.03 H new ATOM 0 HE2 PHE A 140 -0.305 0.908 -2.025 1.00 71.55 H new ATOM 0 HZ PHE A 140 2.057 0.236 -2.210 1.00 62.33 H new ATOM 2185 N LYS A 141 -1.363 5.783 -3.718 1.00 13.34 N ATOM 2186 CA LYS A 141 -2.311 5.307 -4.724 1.00 63.30 C ATOM 2187 C LYS A 141 -1.984 5.918 -6.079 1.00 11.21 C ATOM 2188 O LYS A 141 -1.907 5.219 -7.086 1.00 11.44 O ATOM 2189 CB LYS A 141 -3.745 5.683 -4.333 1.00 25.32 C ATOM 2190 CG LYS A 141 -4.799 5.191 -5.317 1.00 42.52 C ATOM 2191 CD LYS A 141 -6.177 5.738 -4.978 1.00 13.13 C ATOM 2192 CE LYS A 141 -6.300 7.220 -5.311 1.00 1.23 C ATOM 2193 NZ LYS A 141 -6.477 7.459 -6.771 1.00 11.10 N ATOM 0 H LYS A 141 -1.795 6.247 -2.919 1.00 13.34 H new ATOM 0 HA LYS A 141 -2.231 4.222 -4.783 1.00 63.30 H new ATOM 0 HB2 LYS A 141 -3.962 5.273 -3.347 1.00 25.32 H new ATOM 0 HB3 LYS A 141 -3.817 6.767 -4.250 1.00 25.32 H new ATOM 0 HG2 LYS A 141 -4.525 5.494 -6.327 1.00 42.52 H new ATOM 0 HG3 LYS A 141 -4.827 4.101 -5.308 1.00 42.52 H new ATOM 0 HD2 LYS A 141 -6.934 5.179 -5.527 1.00 13.13 H new ATOM 0 HD3 LYS A 141 -6.376 5.587 -3.917 1.00 13.13 H new ATOM 0 HE2 LYS A 141 -7.147 7.642 -4.771 1.00 1.23 H new ATOM 0 HE3 LYS A 141 -5.408 7.743 -4.965 1.00 1.23 H new ATOM 0 HZ1 LYS A 141 -6.286 8.459 -6.985 1.00 11.10 H new ATOM 0 HZ2 LYS A 141 -5.816 6.859 -7.304 1.00 11.10 H new ATOM 0 HZ3 LYS A 141 -7.453 7.226 -7.045 1.00 11.10 H new ATOM 2207 N ARG A 142 -1.776 7.230 -6.069 1.00 52.10 N ATOM 2208 CA ARG A 142 -1.465 7.996 -7.276 1.00 20.15 C ATOM 2209 C ARG A 142 -0.267 7.413 -8.026 1.00 71.22 C ATOM 2210 O ARG A 142 -0.299 7.255 -9.245 1.00 55.22 O ATOM 2211 CB ARG A 142 -1.164 9.446 -6.897 1.00 14.53 C ATOM 2212 CG ARG A 142 -0.672 10.296 -8.057 1.00 21.01 C ATOM 2213 CD ARG A 142 0.023 11.549 -7.560 1.00 1.23 C ATOM 2214 NE ARG A 142 1.180 11.235 -6.717 1.00 34.11 N ATOM 2215 CZ ARG A 142 2.110 12.124 -6.368 1.00 52.22 C ATOM 2216 NH1 ARG A 142 2.044 13.372 -6.817 1.00 3.23 N ATOM 2217 NH2 ARG A 142 3.114 11.765 -5.575 1.00 13.32 N ATOM 0 H ARG A 142 -1.818 7.797 -5.222 1.00 52.10 H new ATOM 0 HA ARG A 142 -2.333 7.947 -7.934 1.00 20.15 H new ATOM 0 HB2 ARG A 142 -2.066 9.898 -6.485 1.00 14.53 H new ATOM 0 HB3 ARG A 142 -0.413 9.456 -6.107 1.00 14.53 H new ATOM 0 HG2 ARG A 142 0.015 9.715 -8.672 1.00 21.01 H new ATOM 0 HG3 ARG A 142 -1.514 10.571 -8.693 1.00 21.01 H new ATOM 0 HD2 ARG A 142 0.346 12.147 -8.412 1.00 1.23 H new ATOM 0 HD3 ARG A 142 -0.684 12.156 -6.995 1.00 1.23 H new ATOM 0 HE ARG A 142 1.280 10.279 -6.377 1.00 34.11 H new ATOM 0 HH11 ARG A 142 1.280 13.653 -7.431 1.00 3.23 H new ATOM 0 HH12 ARG A 142 2.758 14.049 -6.548 1.00 3.23 H new ATOM 0 HH21 ARG A 142 3.175 10.807 -5.231 1.00 13.32 H new ATOM 0 HH22 ARG A 142 3.824 12.448 -5.310 1.00 13.32 H new ATOM 2231 N GLU A 143 0.783 7.094 -7.291 1.00 22.44 N ATOM 2232 CA GLU A 143 2.017 6.615 -7.896 1.00 75.05 C ATOM 2233 C GLU A 143 1.906 5.148 -8.309 1.00 55.21 C ATOM 2234 O GLU A 143 2.549 4.719 -9.267 1.00 43.12 O ATOM 2235 CB GLU A 143 3.181 6.846 -6.933 1.00 41.15 C ATOM 2236 CG GLU A 143 3.463 8.325 -6.719 1.00 74.02 C ATOM 2237 CD GLU A 143 4.400 8.603 -5.564 1.00 21.11 C ATOM 2238 OE1 GLU A 143 5.567 8.163 -5.616 1.00 73.00 O ATOM 2239 OE2 GLU A 143 3.978 9.292 -4.611 1.00 53.41 O ATOM 0 H GLU A 143 0.808 7.157 -6.273 1.00 22.44 H new ATOM 0 HA GLU A 143 2.204 7.180 -8.809 1.00 75.05 H new ATOM 0 HB2 GLU A 143 2.956 6.378 -5.975 1.00 41.15 H new ATOM 0 HB3 GLU A 143 4.075 6.360 -7.323 1.00 41.15 H new ATOM 0 HG2 GLU A 143 3.891 8.740 -7.631 1.00 74.02 H new ATOM 0 HG3 GLU A 143 2.521 8.844 -6.544 1.00 74.02 H new ATOM 2246 N GLN A 144 1.071 4.389 -7.608 1.00 45.42 N ATOM 2247 CA GLN A 144 0.821 2.999 -7.972 1.00 5.33 C ATOM 2248 C GLN A 144 -0.007 2.922 -9.256 1.00 23.12 C ATOM 2249 O GLN A 144 0.304 2.146 -10.155 1.00 64.14 O ATOM 2250 CB GLN A 144 0.123 2.260 -6.820 1.00 14.32 C ATOM 2251 CG GLN A 144 -0.447 0.889 -7.183 1.00 0.14 C ATOM 2252 CD GLN A 144 0.590 -0.111 -7.668 1.00 4.10 C ATOM 2253 OE1 GLN A 144 0.864 -0.208 -8.862 1.00 51.33 O ATOM 2254 NE2 GLN A 144 1.151 -0.879 -6.751 1.00 73.32 N ATOM 0 H GLN A 144 0.558 4.711 -6.788 1.00 45.42 H new ATOM 0 HA GLN A 144 1.777 2.510 -8.158 1.00 5.33 H new ATOM 0 HB2 GLN A 144 0.835 2.136 -6.004 1.00 14.32 H new ATOM 0 HB3 GLN A 144 -0.687 2.886 -6.445 1.00 14.32 H new ATOM 0 HG2 GLN A 144 -0.953 0.476 -6.310 1.00 0.14 H new ATOM 0 HG3 GLN A 144 -1.202 1.016 -7.958 1.00 0.14 H new ATOM 0 HE21 GLN A 144 0.898 -0.769 -5.769 1.00 73.32 H new ATOM 0 HE22 GLN A 144 1.837 -1.582 -7.025 1.00 73.32 H new ATOM 2263 N GLU A 145 -1.049 3.740 -9.352 1.00 13.11 N ATOM 2264 CA GLU A 145 -1.899 3.741 -10.541 1.00 72.41 C ATOM 2265 C GLU A 145 -1.166 4.362 -11.731 1.00 25.24 C ATOM 2266 O GLU A 145 -1.500 4.097 -12.887 1.00 61.12 O ATOM 2267 CB GLU A 145 -3.207 4.494 -10.277 1.00 41.33 C ATOM 2268 CG GLU A 145 -2.998 5.952 -9.920 1.00 11.40 C ATOM 2269 CD GLU A 145 -4.289 6.728 -9.772 1.00 55.30 C ATOM 2270 OE1 GLU A 145 -4.906 6.662 -8.688 1.00 1.31 O ATOM 2271 OE2 GLU A 145 -4.679 7.425 -10.738 1.00 32.34 O ATOM 0 H GLU A 145 -1.325 4.405 -8.630 1.00 13.11 H new ATOM 0 HA GLU A 145 -2.138 2.705 -10.781 1.00 72.41 H new ATOM 0 HB2 GLU A 145 -3.839 4.431 -11.163 1.00 41.33 H new ATOM 0 HB3 GLU A 145 -3.744 4.002 -9.466 1.00 41.33 H new ATOM 0 HG2 GLU A 145 -2.438 6.013 -8.987 1.00 11.40 H new ATOM 0 HG3 GLU A 145 -2.387 6.422 -10.690 1.00 11.40 H new ATOM 2278 N LEU A 146 -0.172 5.192 -11.437 1.00 43.50 N ATOM 2279 CA LEU A 146 0.635 5.823 -12.472 1.00 73.51 C ATOM 2280 C LEU A 146 1.633 4.811 -13.030 1.00 23.30 C ATOM 2281 O LEU A 146 1.765 4.657 -14.247 1.00 35.54 O ATOM 2282 CB LEU A 146 1.371 7.042 -11.891 1.00 52.11 C ATOM 2283 CG LEU A 146 1.768 8.141 -12.890 1.00 53.33 C ATOM 2284 CD1 LEU A 146 2.868 7.672 -13.833 1.00 24.24 C ATOM 2285 CD2 LEU A 146 0.552 8.603 -13.678 1.00 53.40 C ATOM 0 H LEU A 146 0.095 5.444 -10.485 1.00 43.50 H new ATOM 0 HA LEU A 146 -0.012 6.163 -13.281 1.00 73.51 H new ATOM 0 HB2 LEU A 146 0.738 7.490 -11.124 1.00 52.11 H new ATOM 0 HB3 LEU A 146 2.275 6.690 -11.393 1.00 52.11 H new ATOM 0 HG LEU A 146 2.161 8.983 -12.319 1.00 53.33 H new ATOM 0 HD11 LEU A 146 3.122 8.476 -14.524 1.00 24.24 H new ATOM 0 HD12 LEU A 146 3.751 7.398 -13.255 1.00 24.24 H new ATOM 0 HD13 LEU A 146 2.520 6.806 -14.396 1.00 24.24 H new ATOM 0 HD21 LEU A 146 0.848 9.381 -14.381 1.00 53.40 H new ATOM 0 HD22 LEU A 146 0.132 7.760 -14.226 1.00 53.40 H new ATOM 0 HD23 LEU A 146 -0.197 9.000 -12.992 1.00 53.40 H new ATOM 2297 N GLY A 147 2.316 4.116 -12.128 1.00 51.22 N ATOM 2298 CA GLY A 147 3.299 3.129 -12.526 1.00 41.03 C ATOM 2299 C GLY A 147 2.680 1.945 -13.235 1.00 40.22 C ATOM 2300 O GLY A 147 1.785 1.284 -12.702 1.00 52.13 O ATOM 0 H GLY A 147 2.204 4.221 -11.120 1.00 51.22 H new ATOM 0 HA2 GLY A 147 4.034 3.597 -13.181 1.00 41.03 H new ATOM 0 HA3 GLY A 147 3.836 2.780 -11.644 1.00 41.03 H new