USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 570 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 123 MET CE :methyl -132:sc= -8.52! (180deg=-2.77!) USER MOD Set 1.2: A 125 ASN : amide:sc= -5.72! K(o=-14!,f=-11) USER MOD Single : A 81 HIS : no HE2:sc= -9.62! C(o=-9.6!,f=-10!) USER MOD Single : A 85 SER OG : rot -117:sc= -4.32! USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -35:sc= 0.121 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 94 THR OG1 : rot 9:sc= 0.968 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.0474 K(o=-0.047,f=-1.6!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -1.86! C(o=-1.9!,f=-8.8!) USER MOD Single : A 114 THR OG1 : rot 178:sc= 0.13 USER MOD Single : A 116 CYS SG : rot -27:sc= -5.69! USER MOD Single : A 121 MET CE :methyl 160:sc= -0.235 (180deg=-1.32) USER MOD Single : A 122 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0.673) USER MOD Single : A 124 MET CE :methyl -117:sc= -5.43! (180deg=-11!) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0.34) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot -33:sc= -0.931! USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -163:sc=-0.00869 (180deg=-0.132) USER MOD Single : A 142 SER OG : rot 180:sc= -0.218 USER MOD Single : A 144 GLN : amide:sc= -1.32 K(o=-1.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 80 12.600 8.255 -3.390 1.00 0.00 N ATOM 47 CA GLY A 80 11.401 7.438 -3.351 1.00 0.00 C ATOM 48 C GLY A 80 10.210 8.125 -3.992 1.00 0.00 C ATOM 49 O GLY A 80 10.371 8.949 -4.892 1.00 0.00 O ATOM 0 HA2 GLY A 80 11.591 6.495 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.163 7.196 -2.315 1.00 0.00 H new ATOM 53 N HIS A 81 9.013 7.783 -3.528 1.00 0.00 N ATOM 54 CA HIS A 81 7.790 8.371 -4.062 1.00 0.00 C ATOM 55 C HIS A 81 6.637 8.214 -3.078 1.00 0.00 C ATOM 56 O HIS A 81 6.849 7.932 -1.898 1.00 0.00 O ATOM 57 CB HIS A 81 7.429 7.721 -5.400 1.00 0.00 C ATOM 58 CG HIS A 81 7.012 6.287 -5.276 1.00 0.00 C ATOM 59 ND1 HIS A 81 6.874 5.448 -6.362 1.00 0.00 N ATOM 60 CD2 HIS A 81 6.703 5.542 -4.187 1.00 0.00 C ATOM 61 CE1 HIS A 81 6.499 4.251 -5.947 1.00 0.00 C ATOM 62 NE2 HIS A 81 6.389 4.282 -4.632 1.00 0.00 N ATOM 0 H HIS A 81 8.864 7.102 -2.784 1.00 0.00 H new ATOM 0 HA HIS A 81 7.966 9.435 -4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.621 8.287 -5.863 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.287 7.785 -6.069 1.00 0.00 H new ATOM 0 HD1 HIS A 81 7.036 5.711 -7.334 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.704 5.877 -3.160 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.314 3.393 -6.577 1.00 0.00 H new ATOM 71 N ILE A 82 5.415 8.398 -3.568 1.00 0.00 N ATOM 72 CA ILE A 82 4.231 8.277 -2.728 1.00 0.00 C ATOM 73 C ILE A 82 3.068 7.662 -3.500 1.00 0.00 C ATOM 74 O ILE A 82 2.526 8.276 -4.419 1.00 0.00 O ATOM 75 CB ILE A 82 3.797 9.643 -2.167 1.00 0.00 C ATOM 76 CG1 ILE A 82 4.867 10.188 -1.217 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.458 9.523 -1.457 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.340 11.198 -0.221 1.00 0.00 C ATOM 0 H ILE A 82 5.220 8.631 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 82 4.498 7.622 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 82 3.682 10.342 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.316 9.356 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.660 10.650 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.165 10.497 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.703 9.172 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.545 8.813 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.155 11.539 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.917 12.049 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.568 10.735 0.393 1.00 0.00 H new ATOM 90 N VAL A 83 2.688 6.446 -3.118 1.00 0.00 N ATOM 91 CA VAL A 83 1.590 5.747 -3.772 1.00 0.00 C ATOM 92 C VAL A 83 0.248 6.374 -3.412 1.00 0.00 C ATOM 93 O VAL A 83 -0.186 6.316 -2.262 1.00 0.00 O ATOM 94 CB VAL A 83 1.564 4.256 -3.388 1.00 0.00 C ATOM 95 CG1 VAL A 83 0.440 3.536 -4.116 1.00 0.00 C ATOM 96 CG2 VAL A 83 2.907 3.605 -3.685 1.00 0.00 C ATOM 0 H VAL A 83 3.126 5.925 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 83 1.755 5.836 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 83 1.378 4.178 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.438 2.484 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.515 3.987 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.591 3.621 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.870 2.552 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.126 3.692 -4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.688 4.104 -3.112 1.00 0.00 H new ATOM 106 N ARG A 84 -0.405 6.972 -4.404 1.00 0.00 N ATOM 107 CA ARG A 84 -1.699 7.609 -4.193 1.00 0.00 C ATOM 108 C ARG A 84 -2.834 6.609 -4.383 1.00 0.00 C ATOM 109 O ARG A 84 -2.809 5.794 -5.305 1.00 0.00 O ATOM 110 CB ARG A 84 -1.874 8.785 -5.158 1.00 0.00 C ATOM 111 CG ARG A 84 -2.263 10.084 -4.470 1.00 0.00 C ATOM 112 CD ARG A 84 -1.040 10.843 -3.981 1.00 0.00 C ATOM 113 NE ARG A 84 -1.091 12.255 -4.348 1.00 0.00 N ATOM 114 CZ ARG A 84 -1.075 12.691 -5.603 1.00 0.00 C ATOM 115 NH1 ARG A 84 -1.009 11.827 -6.607 1.00 0.00 N ATOM 116 NH2 ARG A 84 -1.126 13.992 -5.857 1.00 0.00 N ATOM 0 H ARG A 84 -0.059 7.028 -5.362 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.732 7.979 -3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.943 8.938 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.637 8.530 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.828 10.709 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.920 9.868 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.966 10.752 -2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.141 10.391 -4.401 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.142 12.946 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.970 10.826 -6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.997 12.164 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.178 14.660 -5.088 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.114 14.324 -6.821 1.00 0.00 H new ATOM 130 N SER A 85 -3.829 6.676 -3.504 1.00 0.00 N ATOM 131 CA SER A 85 -4.973 5.774 -3.576 1.00 0.00 C ATOM 132 C SER A 85 -5.757 5.990 -4.866 1.00 0.00 C ATOM 133 O SER A 85 -6.430 7.008 -5.033 1.00 0.00 O ATOM 134 CB SER A 85 -5.886 5.981 -2.367 1.00 0.00 C ATOM 135 OG SER A 85 -6.540 4.775 -2.008 1.00 0.00 O ATOM 0 H SER A 85 -3.866 7.345 -2.735 1.00 0.00 H new ATOM 0 HA SER A 85 -4.599 4.750 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.300 6.346 -1.523 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.628 6.747 -2.594 1.00 0.00 H new ATOM 0 HG SER A 85 -7.508 4.884 -2.112 1.00 0.00 H new ATOM 141 N PRO A 86 -5.680 5.027 -5.797 1.00 0.00 N ATOM 142 CA PRO A 86 -6.384 5.107 -7.081 1.00 0.00 C ATOM 143 C PRO A 86 -7.883 5.321 -6.906 1.00 0.00 C ATOM 144 O PRO A 86 -8.419 6.366 -7.274 1.00 0.00 O ATOM 145 CB PRO A 86 -6.111 3.745 -7.725 1.00 0.00 C ATOM 146 CG PRO A 86 -4.864 3.255 -7.073 1.00 0.00 C ATOM 147 CD PRO A 86 -4.899 3.786 -5.668 1.00 0.00 C ATOM 0 HA PRO A 86 -6.042 5.951 -7.680 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.940 3.057 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.983 3.837 -8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -4.822 2.166 -7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.980 3.610 -7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.372 3.082 -4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.897 3.979 -5.285 1.00 0.00 H new ATOM 155 N MET A 87 -8.554 4.322 -6.342 1.00 0.00 N ATOM 156 CA MET A 87 -9.993 4.398 -6.118 1.00 0.00 C ATOM 157 C MET A 87 -10.319 4.264 -4.633 1.00 0.00 C ATOM 158 O MET A 87 -9.422 4.201 -3.794 1.00 0.00 O ATOM 159 CB MET A 87 -10.712 3.305 -6.911 1.00 0.00 C ATOM 160 CG MET A 87 -10.388 3.319 -8.396 1.00 0.00 C ATOM 161 SD MET A 87 -11.759 2.740 -9.413 1.00 0.00 S ATOM 162 CE MET A 87 -11.352 3.486 -10.990 1.00 0.00 C ATOM 0 H MET A 87 -8.124 3.450 -6.032 1.00 0.00 H new ATOM 0 HA MET A 87 -10.339 5.373 -6.461 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.444 2.332 -6.498 1.00 0.00 H new ATOM 0 HB3 MET A 87 -11.788 3.421 -6.781 1.00 0.00 H new ATOM 0 HG2 MET A 87 -10.121 4.332 -8.696 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.515 2.692 -8.579 1.00 0.00 H new ATOM 0 HE1 MET A 87 -12.111 3.218 -11.726 1.00 0.00 H new ATOM 0 HE2 MET A 87 -11.318 4.570 -10.882 1.00 0.00 H new ATOM 0 HE3 MET A 87 -10.380 3.124 -11.324 1.00 0.00 H new ATOM 172 N VAL A 88 -11.610 4.222 -4.318 1.00 0.00 N ATOM 173 CA VAL A 88 -12.054 4.097 -2.934 1.00 0.00 C ATOM 174 C VAL A 88 -12.223 2.633 -2.542 1.00 0.00 C ATOM 175 O VAL A 88 -12.636 1.806 -3.355 1.00 0.00 O ATOM 176 CB VAL A 88 -13.384 4.836 -2.701 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.860 4.641 -1.271 1.00 0.00 C ATOM 178 CG2 VAL A 88 -13.237 6.315 -3.026 1.00 0.00 C ATOM 0 H VAL A 88 -12.366 4.273 -5.001 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.282 4.551 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.135 4.414 -3.369 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.801 5.171 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.008 3.578 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -13.112 5.034 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.187 6.821 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.472 6.754 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.946 6.431 -4.070 1.00 0.00 H new ATOM 188 N GLY A 89 -11.901 2.320 -1.292 1.00 0.00 N ATOM 189 CA GLY A 89 -12.025 0.955 -0.813 1.00 0.00 C ATOM 190 C GLY A 89 -11.740 0.833 0.671 1.00 0.00 C ATOM 191 O GLY A 89 -12.444 1.418 1.495 1.00 0.00 O ATOM 0 H GLY A 89 -11.556 2.987 -0.601 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.032 0.592 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.337 0.315 -1.366 1.00 0.00 H new ATOM 195 N THR A 90 -10.707 0.070 1.013 1.00 0.00 N ATOM 196 CA THR A 90 -10.331 -0.127 2.408 1.00 0.00 C ATOM 197 C THR A 90 -8.889 -0.609 2.520 1.00 0.00 C ATOM 198 O THR A 90 -8.544 -1.686 2.034 1.00 0.00 O ATOM 199 CB THR A 90 -11.270 -1.136 3.073 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.612 -0.903 2.685 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.216 -1.098 4.585 1.00 0.00 C ATOM 0 H THR A 90 -10.115 -0.422 0.343 1.00 0.00 H new ATOM 0 HA THR A 90 -10.416 0.832 2.920 1.00 0.00 H new ATOM 0 HB THR A 90 -10.926 -2.115 2.738 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.760 0.060 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 90 -11.905 -1.838 4.992 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.203 -1.323 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.501 -0.106 4.934 1.00 0.00 H new ATOM 209 N PHE A 91 -8.049 0.197 3.161 1.00 0.00 N ATOM 210 CA PHE A 91 -6.644 -0.149 3.334 1.00 0.00 C ATOM 211 C PHE A 91 -6.488 -1.333 4.284 1.00 0.00 C ATOM 212 O PHE A 91 -7.396 -1.649 5.052 1.00 0.00 O ATOM 213 CB PHE A 91 -5.861 1.052 3.863 1.00 0.00 C ATOM 214 CG PHE A 91 -4.546 1.263 3.168 1.00 0.00 C ATOM 215 CD1 PHE A 91 -4.424 1.040 1.801 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.428 1.686 3.881 1.00 0.00 C ATOM 217 CE1 PHE A 91 -3.211 1.234 1.158 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.213 1.880 3.243 1.00 0.00 C ATOM 219 CZ PHE A 91 -2.105 1.654 1.880 1.00 0.00 C ATOM 0 H PHE A 91 -8.317 1.093 3.569 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.244 -0.432 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.469 1.950 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.682 0.918 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.283 0.712 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.508 1.865 4.943 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.128 1.058 0.096 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.352 2.207 3.807 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.159 1.805 1.381 1.00 0.00 H new ATOM 229 N TYR A 92 -5.331 -1.984 4.224 1.00 0.00 N ATOM 230 CA TYR A 92 -5.056 -3.133 5.079 1.00 0.00 C ATOM 231 C TYR A 92 -3.571 -3.485 5.058 1.00 0.00 C ATOM 232 O TYR A 92 -2.864 -3.292 6.046 1.00 0.00 O ATOM 233 CB TYR A 92 -5.882 -4.336 4.629 1.00 0.00 C ATOM 234 CG TYR A 92 -7.345 -4.241 5.002 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.733 -3.905 6.297 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.341 -4.488 4.057 1.00 0.00 C ATOM 237 CE1 TYR A 92 -9.075 -3.817 6.642 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.683 -4.402 4.394 1.00 0.00 C ATOM 239 CZ TYR A 92 -10.044 -4.068 5.686 1.00 0.00 C ATOM 240 OH TYR A 92 -11.375 -3.982 6.024 1.00 0.00 O ATOM 0 H TYR A 92 -4.569 -1.736 3.593 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.334 -2.870 6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.798 -4.440 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.461 -5.240 5.070 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.978 -3.710 7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.062 -4.750 3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.361 -3.554 7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.443 -4.595 3.651 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.926 -4.186 5.239 1.00 0.00 H new ATOM 250 N ARG A 93 -3.106 -3.999 3.923 1.00 0.00 N ATOM 251 CA ARG A 93 -1.704 -4.374 3.773 1.00 0.00 C ATOM 252 C ARG A 93 -1.417 -5.705 4.456 1.00 0.00 C ATOM 253 O ARG A 93 -0.356 -5.887 5.056 1.00 0.00 O ATOM 254 CB ARG A 93 -0.801 -3.293 4.365 1.00 0.00 C ATOM 255 CG ARG A 93 -1.300 -1.878 4.124 1.00 0.00 C ATOM 256 CD ARG A 93 -1.162 -1.022 5.372 1.00 0.00 C ATOM 257 NE ARG A 93 0.218 -0.956 5.841 1.00 0.00 N ATOM 258 CZ ARG A 93 0.559 -0.620 7.081 1.00 0.00 C ATOM 259 NH1 ARG A 93 -0.379 -0.322 7.971 1.00 0.00 N ATOM 260 NH2 ARG A 93 1.836 -0.581 7.432 1.00 0.00 N ATOM 0 H ARG A 93 -3.678 -4.165 3.095 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.498 -4.477 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -0.708 -3.458 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.198 -3.394 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.737 -1.426 3.307 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.345 -1.907 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.522 -0.015 5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.794 -1.428 6.162 1.00 0.00 H new ATOM 0 HE ARG A 93 0.962 -1.180 5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.363 -0.351 7.704 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.116 -0.064 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 93 2.560 -0.809 6.750 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.096 -0.323 8.384 1.00 0.00 H new ATOM 274 N THR A 94 -2.362 -6.633 4.370 1.00 0.00 N ATOM 275 CA THR A 94 -2.196 -7.941 4.990 1.00 0.00 C ATOM 276 C THR A 94 -2.918 -9.022 4.194 1.00 0.00 C ATOM 277 O THR A 94 -4.147 -9.092 4.193 1.00 0.00 O ATOM 278 CB THR A 94 -2.720 -7.912 6.427 1.00 0.00 C ATOM 279 OG1 THR A 94 -4.135 -7.983 6.446 1.00 0.00 O ATOM 280 CG2 THR A 94 -2.312 -6.669 7.191 1.00 0.00 C ATOM 0 H THR A 94 -3.247 -6.505 3.879 1.00 0.00 H new ATOM 0 HA THR A 94 -1.132 -8.178 5.000 1.00 0.00 H new ATOM 0 HB THR A 94 -2.274 -8.779 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.465 -8.177 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.717 -6.714 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.225 -6.611 7.238 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.700 -5.786 6.683 1.00 0.00 H new ATOM 288 N PRO A 95 -2.155 -9.885 3.506 1.00 0.00 N ATOM 289 CA PRO A 95 -2.719 -10.973 2.701 1.00 0.00 C ATOM 290 C PRO A 95 -3.299 -12.091 3.561 1.00 0.00 C ATOM 291 O PRO A 95 -2.966 -13.263 3.383 1.00 0.00 O ATOM 292 CB PRO A 95 -1.516 -11.481 1.907 1.00 0.00 C ATOM 293 CG PRO A 95 -0.336 -11.147 2.751 1.00 0.00 C ATOM 294 CD PRO A 95 -0.683 -9.866 3.461 1.00 0.00 C ATOM 0 HA PRO A 95 -3.548 -10.634 2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.584 -12.554 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.454 -10.999 0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.128 -11.945 3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.558 -11.025 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.251 -9.832 4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.309 -8.995 2.923 1.00 0.00 H new ATOM 349 N LYS A 100 0.868 -11.274 8.711 1.00 0.00 N ATOM 350 CA LYS A 100 1.914 -10.384 9.204 1.00 0.00 C ATOM 351 C LYS A 100 2.062 -9.166 8.298 1.00 0.00 C ATOM 352 O LYS A 100 3.149 -8.601 8.172 1.00 0.00 O ATOM 353 CB LYS A 100 3.247 -11.131 9.296 1.00 0.00 C ATOM 354 CG LYS A 100 3.834 -11.156 10.699 1.00 0.00 C ATOM 355 CD LYS A 100 2.863 -11.759 11.700 1.00 0.00 C ATOM 356 CE LYS A 100 3.381 -11.635 13.124 1.00 0.00 C ATOM 357 NZ LYS A 100 2.884 -10.400 13.791 1.00 0.00 N ATOM 0 HA LYS A 100 1.628 -10.042 10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.105 -12.156 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.963 -10.664 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.760 -11.732 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.090 -10.142 11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.898 -11.259 11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.699 -12.810 11.462 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.072 -12.508 13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.471 -11.629 13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.260 -10.353 14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.200 -9.566 13.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.845 -10.417 13.824 1.00 0.00 H new ATOM 371 N ALA A 101 0.962 -8.765 7.669 1.00 0.00 N ATOM 372 CA ALA A 101 0.967 -7.614 6.776 1.00 0.00 C ATOM 373 C ALA A 101 1.973 -7.795 5.645 1.00 0.00 C ATOM 374 O ALA A 101 3.076 -8.301 5.857 1.00 0.00 O ATOM 375 CB ALA A 101 1.269 -6.345 7.557 1.00 0.00 C ATOM 0 H ALA A 101 0.055 -9.222 7.762 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.024 -7.528 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.270 -5.492 6.879 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.507 -6.199 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.247 -6.433 8.030 1.00 0.00 H new ATOM 381 N PHE A 102 1.586 -7.380 4.443 1.00 0.00 N ATOM 382 CA PHE A 102 2.453 -7.496 3.276 1.00 0.00 C ATOM 383 C PHE A 102 3.844 -6.936 3.574 1.00 0.00 C ATOM 384 O PHE A 102 4.704 -7.641 4.101 1.00 0.00 O ATOM 385 CB PHE A 102 1.834 -6.765 2.082 1.00 0.00 C ATOM 386 CG PHE A 102 1.075 -7.669 1.153 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.606 -8.896 0.767 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.170 -7.293 0.660 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.908 -9.730 -0.092 1.00 0.00 C ATOM 390 CE2 PHE A 102 -0.871 -8.123 -0.198 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.333 -9.344 -0.574 1.00 0.00 C ATOM 0 H PHE A 102 0.676 -6.960 4.252 1.00 0.00 H new ATOM 0 HA PHE A 102 2.555 -8.553 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.163 -5.989 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.625 -6.264 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.572 -9.202 1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.595 -6.343 0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.330 -10.680 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.837 -7.819 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.880 -9.993 -1.241 1.00 0.00 H new ATOM 401 N ILE A 103 4.056 -5.666 3.238 1.00 0.00 N ATOM 402 CA ILE A 103 5.342 -5.019 3.477 1.00 0.00 C ATOM 403 C ILE A 103 5.221 -3.945 4.555 1.00 0.00 C ATOM 404 O ILE A 103 5.251 -2.750 4.262 1.00 0.00 O ATOM 405 CB ILE A 103 5.902 -4.381 2.188 1.00 0.00 C ATOM 406 CG1 ILE A 103 6.370 -5.466 1.215 1.00 0.00 C ATOM 407 CG2 ILE A 103 7.048 -3.430 2.513 1.00 0.00 C ATOM 408 CD1 ILE A 103 5.342 -6.551 0.976 1.00 0.00 C ATOM 0 H ILE A 103 3.356 -5.067 2.801 1.00 0.00 H new ATOM 0 HA ILE A 103 6.030 -5.794 3.814 1.00 0.00 H new ATOM 0 HB ILE A 103 5.104 -3.809 1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.625 -5.002 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 103 7.282 -5.920 1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.429 -2.991 1.591 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.689 -2.639 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.847 -3.980 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.743 -7.285 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.105 -7.042 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.437 -6.109 0.559 1.00 0.00 H new ATOM 420 N GLU A 104 5.083 -4.380 5.804 1.00 0.00 N ATOM 421 CA GLU A 104 4.958 -3.456 6.926 1.00 0.00 C ATOM 422 C GLU A 104 5.860 -2.240 6.736 1.00 0.00 C ATOM 423 O GLU A 104 6.872 -2.310 6.039 1.00 0.00 O ATOM 424 CB GLU A 104 5.302 -4.163 8.236 1.00 0.00 C ATOM 425 CG GLU A 104 4.117 -4.311 9.177 1.00 0.00 C ATOM 426 CD GLU A 104 4.405 -5.241 10.338 1.00 0.00 C ATOM 427 OE1 GLU A 104 4.829 -6.390 10.088 1.00 0.00 O ATOM 428 OE2 GLU A 104 4.206 -4.824 11.498 1.00 0.00 O ATOM 0 H GLU A 104 5.055 -5.366 6.064 1.00 0.00 H new ATOM 0 HA GLU A 104 3.924 -3.113 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.703 -5.152 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.091 -3.607 8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.840 -3.330 9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.260 -4.688 8.619 1.00 0.00 H new ATOM 435 N VAL A 105 5.486 -1.128 7.361 1.00 0.00 N ATOM 436 CA VAL A 105 6.262 0.103 7.262 1.00 0.00 C ATOM 437 C VAL A 105 7.673 -0.091 7.804 1.00 0.00 C ATOM 438 O VAL A 105 7.879 -0.802 8.788 1.00 0.00 O ATOM 439 CB VAL A 105 5.586 1.257 8.025 1.00 0.00 C ATOM 440 CG1 VAL A 105 6.499 2.472 8.078 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.252 1.611 7.386 1.00 0.00 C ATOM 0 H VAL A 105 4.650 -1.054 7.941 1.00 0.00 H new ATOM 0 HA VAL A 105 6.314 0.358 6.204 1.00 0.00 H new ATOM 0 HB VAL A 105 5.398 0.929 9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.003 3.276 8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.426 2.208 8.587 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.723 2.803 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.789 2.428 7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.414 1.918 6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.596 0.741 7.408 1.00 0.00 H new ATOM 451 N GLY A 106 8.643 0.545 7.157 1.00 0.00 N ATOM 452 CA GLY A 106 10.024 0.431 7.589 1.00 0.00 C ATOM 453 C GLY A 106 10.745 -0.730 6.931 1.00 0.00 C ATOM 454 O GLY A 106 11.974 -0.776 6.914 1.00 0.00 O ATOM 0 H GLY A 106 8.498 1.138 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.550 1.358 7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.054 0.306 8.671 1.00 0.00 H new ATOM 458 N GLN A 107 9.977 -1.669 6.388 1.00 0.00 N ATOM 459 CA GLN A 107 10.552 -2.835 5.726 1.00 0.00 C ATOM 460 C GLN A 107 11.177 -2.446 4.389 1.00 0.00 C ATOM 461 O GLN A 107 10.962 -1.341 3.892 1.00 0.00 O ATOM 462 CB GLN A 107 9.480 -3.907 5.512 1.00 0.00 C ATOM 463 CG GLN A 107 9.979 -5.129 4.756 1.00 0.00 C ATOM 464 CD GLN A 107 9.036 -6.310 4.872 1.00 0.00 C ATOM 465 OE1 GLN A 107 8.083 -6.284 5.652 1.00 0.00 O ATOM 466 NE2 GLN A 107 9.296 -7.354 4.094 1.00 0.00 N ATOM 0 H GLN A 107 8.957 -1.646 6.393 1.00 0.00 H new ATOM 0 HA GLN A 107 11.334 -3.239 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.096 -4.223 6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.645 -3.469 4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.108 -4.874 3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.960 -5.413 5.138 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.097 -7.332 3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.695 -8.178 4.128 1.00 0.00 H new ATOM 475 N LYS A 108 11.951 -3.360 3.811 1.00 0.00 N ATOM 476 CA LYS A 108 12.606 -3.106 2.532 1.00 0.00 C ATOM 477 C LYS A 108 12.561 -4.344 1.641 1.00 0.00 C ATOM 478 O LYS A 108 12.735 -5.468 2.113 1.00 0.00 O ATOM 479 CB LYS A 108 14.058 -2.678 2.755 1.00 0.00 C ATOM 480 CG LYS A 108 14.257 -1.825 3.997 1.00 0.00 C ATOM 481 CD LYS A 108 15.169 -0.641 3.717 1.00 0.00 C ATOM 482 CE LYS A 108 16.513 -0.796 4.411 1.00 0.00 C ATOM 483 NZ LYS A 108 17.583 -1.216 3.463 1.00 0.00 N ATOM 0 H LYS A 108 12.140 -4.281 4.207 1.00 0.00 H new ATOM 0 HA LYS A 108 12.069 -2.300 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 108 14.683 -3.568 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 108 14.402 -2.121 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.291 -1.466 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 108 14.683 -2.434 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.322 -0.545 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.688 0.277 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.792 0.149 4.877 1.00 0.00 H new ATOM 0 HE3 LYS A 108 16.426 -1.532 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 18.483 -1.310 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.330 -2.130 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.684 -0.501 2.715 1.00 0.00 H new ATOM 497 N VAL A 109 12.328 -4.129 0.351 1.00 0.00 N ATOM 498 CA VAL A 109 12.262 -5.227 -0.606 1.00 0.00 C ATOM 499 C VAL A 109 12.817 -4.804 -1.963 1.00 0.00 C ATOM 500 O VAL A 109 13.614 -3.871 -2.055 1.00 0.00 O ATOM 501 CB VAL A 109 10.817 -5.731 -0.790 1.00 0.00 C ATOM 502 CG1 VAL A 109 10.798 -7.238 -0.995 1.00 0.00 C ATOM 503 CG2 VAL A 109 9.958 -5.339 0.403 1.00 0.00 C ATOM 0 H VAL A 109 12.182 -3.205 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 109 12.870 -6.036 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 109 10.400 -5.261 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.769 -7.575 -1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 109 11.376 -7.492 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 109 11.235 -7.729 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.941 -5.703 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.373 -5.779 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.944 -4.253 0.500 1.00 0.00 H new ATOM 513 N ASN A 110 12.390 -5.497 -3.014 1.00 0.00 N ATOM 514 CA ASN A 110 12.846 -5.191 -4.366 1.00 0.00 C ATOM 515 C ASN A 110 11.693 -5.278 -5.360 1.00 0.00 C ATOM 516 O ASN A 110 10.824 -6.142 -5.244 1.00 0.00 O ATOM 517 CB ASN A 110 13.965 -6.149 -4.779 1.00 0.00 C ATOM 518 CG ASN A 110 13.633 -7.596 -4.466 1.00 0.00 C ATOM 519 OD1 ASN A 110 12.993 -7.894 -3.458 1.00 0.00 O ATOM 520 ND2 ASN A 110 14.068 -8.503 -5.332 1.00 0.00 N ATOM 0 H ASN A 110 11.730 -6.273 -2.956 1.00 0.00 H new ATOM 0 HA ASN A 110 13.231 -4.171 -4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 110 14.152 -6.045 -5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 110 14.885 -5.871 -4.266 1.00 0.00 H new ATOM 0 HD21 ASN A 110 13.875 -9.492 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 110 14.595 -8.211 -6.155 1.00 0.00 H new ATOM 527 N VAL A 111 11.692 -4.378 -6.337 1.00 0.00 N ATOM 528 CA VAL A 111 10.644 -4.351 -7.351 1.00 0.00 C ATOM 529 C VAL A 111 10.202 -5.763 -7.722 1.00 0.00 C ATOM 530 O VAL A 111 11.018 -6.599 -8.112 1.00 0.00 O ATOM 531 CB VAL A 111 11.113 -3.624 -8.625 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.022 -3.642 -9.684 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.529 -2.197 -8.301 1.00 0.00 C ATOM 0 H VAL A 111 12.405 -3.657 -6.448 1.00 0.00 H new ATOM 0 HA VAL A 111 9.802 -3.809 -6.920 1.00 0.00 H new ATOM 0 HB VAL A 111 11.980 -4.150 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.373 -3.123 -10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.777 -4.674 -9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.133 -3.142 -9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.858 -1.698 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.681 -1.658 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.347 -2.211 -7.580 1.00 0.00 H new ATOM 543 N GLY A 112 8.904 -6.023 -7.597 1.00 0.00 N ATOM 544 CA GLY A 112 8.376 -7.335 -7.923 1.00 0.00 C ATOM 545 C GLY A 112 7.656 -7.980 -6.754 1.00 0.00 C ATOM 546 O GLY A 112 6.868 -8.907 -6.937 1.00 0.00 O ATOM 0 H GLY A 112 8.209 -5.349 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.689 -7.247 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 112 9.192 -7.982 -8.244 1.00 0.00 H new ATOM 550 N ASP A 113 7.928 -7.489 -5.549 1.00 0.00 N ATOM 551 CA ASP A 113 7.301 -8.025 -4.346 1.00 0.00 C ATOM 552 C ASP A 113 6.002 -7.289 -4.033 1.00 0.00 C ATOM 553 O ASP A 113 5.871 -6.096 -4.309 1.00 0.00 O ATOM 554 CB ASP A 113 8.257 -7.925 -3.158 1.00 0.00 C ATOM 555 CG ASP A 113 8.684 -9.285 -2.643 1.00 0.00 C ATOM 556 OD1 ASP A 113 9.294 -10.051 -3.419 1.00 0.00 O ATOM 557 OD2 ASP A 113 8.408 -9.586 -1.463 1.00 0.00 O ATOM 0 H ASP A 113 8.578 -6.721 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 113 7.067 -9.074 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.140 -7.358 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.775 -7.370 -2.353 1.00 0.00 H new ATOM 562 N THR A 114 5.045 -8.008 -3.455 1.00 0.00 N ATOM 563 CA THR A 114 3.755 -7.424 -3.102 1.00 0.00 C ATOM 564 C THR A 114 3.938 -6.113 -2.344 1.00 0.00 C ATOM 565 O THR A 114 5.064 -5.657 -2.135 1.00 0.00 O ATOM 566 CB THR A 114 2.942 -8.405 -2.257 1.00 0.00 C ATOM 567 OG1 THR A 114 3.354 -9.739 -2.501 1.00 0.00 O ATOM 568 CG2 THR A 114 1.453 -8.331 -2.520 1.00 0.00 C ATOM 0 H THR A 114 5.138 -8.996 -3.221 1.00 0.00 H new ATOM 0 HA THR A 114 3.215 -7.215 -4.026 1.00 0.00 H new ATOM 0 HB THR A 114 3.128 -8.116 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 114 2.847 -10.349 -1.925 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.936 -9.053 -1.888 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.093 -7.327 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.257 -8.560 -3.568 1.00 0.00 H new ATOM 576 N LEU A 115 2.825 -5.512 -1.936 1.00 0.00 N ATOM 577 CA LEU A 115 2.862 -4.254 -1.201 1.00 0.00 C ATOM 578 C LEU A 115 1.681 -4.148 -0.242 1.00 0.00 C ATOM 579 O LEU A 115 1.834 -4.331 0.967 1.00 0.00 O ATOM 580 CB LEU A 115 2.851 -3.070 -2.172 1.00 0.00 C ATOM 581 CG LEU A 115 2.795 -1.690 -1.513 1.00 0.00 C ATOM 582 CD1 LEU A 115 4.163 -1.025 -1.548 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.755 -0.815 -2.198 1.00 0.00 C ATOM 0 H LEU A 115 1.887 -5.876 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 115 3.783 -4.231 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.744 -3.122 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.993 -3.173 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 115 2.504 -1.817 -0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.103 -0.045 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.882 -1.644 -1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.485 -0.909 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.728 0.163 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 115 2.016 -0.695 -3.249 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.775 -1.285 -2.119 1.00 0.00 H new ATOM 595 N CYS A 116 0.505 -3.852 -0.787 1.00 0.00 N ATOM 596 CA CYS A 116 -0.702 -3.721 0.025 1.00 0.00 C ATOM 597 C CYS A 116 -1.957 -3.919 -0.820 1.00 0.00 C ATOM 598 O CYS A 116 -1.934 -3.730 -2.036 1.00 0.00 O ATOM 599 CB CYS A 116 -0.743 -2.346 0.698 1.00 0.00 C ATOM 600 SG CYS A 116 0.837 -1.814 1.398 1.00 0.00 S ATOM 0 H CYS A 116 0.361 -3.698 -1.785 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.676 -4.496 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.071 -1.606 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -1.491 -2.364 1.491 1.00 0.00 H new ATOM 0 HG CYS A 116 1.545 -2.858 1.715 1.00 0.00 H new ATOM 606 N ILE A 117 -3.053 -4.296 -0.167 1.00 0.00 N ATOM 607 CA ILE A 117 -4.321 -4.514 -0.857 1.00 0.00 C ATOM 608 C ILE A 117 -5.255 -3.323 -0.674 1.00 0.00 C ATOM 609 O ILE A 117 -5.453 -2.842 0.441 1.00 0.00 O ATOM 610 CB ILE A 117 -5.031 -5.788 -0.351 1.00 0.00 C ATOM 611 CG1 ILE A 117 -4.269 -7.038 -0.784 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.460 -5.840 -0.868 1.00 0.00 C ATOM 613 CD1 ILE A 117 -3.975 -7.990 0.356 1.00 0.00 C ATOM 0 H ILE A 117 -3.089 -4.457 0.840 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.087 -4.635 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.053 -5.756 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -4.848 -7.562 -1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -3.330 -6.739 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.947 -6.744 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.007 -4.966 -0.515 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.453 -5.848 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -3.432 -8.855 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -3.370 -7.482 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -4.912 -8.318 0.807 1.00 0.00 H new ATOM 625 N VAL A 118 -5.832 -2.857 -1.776 1.00 0.00 N ATOM 626 CA VAL A 118 -6.752 -1.728 -1.734 1.00 0.00 C ATOM 627 C VAL A 118 -8.121 -2.165 -1.226 1.00 0.00 C ATOM 628 O VAL A 118 -8.905 -1.349 -0.742 1.00 0.00 O ATOM 629 CB VAL A 118 -6.914 -1.081 -3.123 1.00 0.00 C ATOM 630 CG1 VAL A 118 -7.735 0.195 -3.025 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.554 -0.802 -3.745 1.00 0.00 C ATOM 0 H VAL A 118 -5.679 -3.243 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.326 -0.993 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.446 -1.780 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.839 0.638 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.722 -0.037 -2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -7.233 0.901 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.689 -0.345 -4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.992 -0.123 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.005 -1.737 -3.853 1.00 0.00 H new ATOM 641 N GLU A 119 -8.397 -3.460 -1.340 1.00 0.00 N ATOM 642 CA GLU A 119 -9.669 -4.016 -0.893 1.00 0.00 C ATOM 643 C GLU A 119 -10.837 -3.164 -1.377 1.00 0.00 C ATOM 644 O GLU A 119 -11.810 -2.958 -0.650 1.00 0.00 O ATOM 645 CB GLU A 119 -9.697 -4.122 0.633 1.00 0.00 C ATOM 646 CG GLU A 119 -10.898 -4.884 1.171 1.00 0.00 C ATOM 647 CD GLU A 119 -10.529 -6.253 1.707 1.00 0.00 C ATOM 648 OE1 GLU A 119 -9.403 -6.715 1.428 1.00 0.00 O ATOM 649 OE2 GLU A 119 -11.365 -6.862 2.406 1.00 0.00 O ATOM 0 H GLU A 119 -7.755 -4.145 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.770 -5.013 -1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.785 -4.614 0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.694 -3.118 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.367 -4.302 1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.637 -4.996 0.378 1.00 0.00 H new ATOM 656 N ALA A 120 -10.738 -2.675 -2.608 1.00 0.00 N ATOM 657 CA ALA A 120 -11.792 -1.850 -3.186 1.00 0.00 C ATOM 658 C ALA A 120 -13.112 -2.611 -3.224 1.00 0.00 C ATOM 659 O ALA A 120 -13.879 -2.592 -2.260 1.00 0.00 O ATOM 660 CB ALA A 120 -11.401 -1.394 -4.584 1.00 0.00 C ATOM 0 H ALA A 120 -9.941 -2.835 -3.224 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.923 -0.970 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -12.198 -0.779 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -10.482 -0.811 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -11.243 -2.265 -5.220 1.00 0.00 H new ATOM 666 N MET A 121 -13.367 -3.288 -4.338 1.00 0.00 N ATOM 667 CA MET A 121 -14.588 -4.066 -4.496 1.00 0.00 C ATOM 668 C MET A 121 -14.368 -5.500 -4.030 1.00 0.00 C ATOM 669 O MET A 121 -15.040 -6.424 -4.489 1.00 0.00 O ATOM 670 CB MET A 121 -15.043 -4.053 -5.957 1.00 0.00 C ATOM 671 CG MET A 121 -14.077 -4.751 -6.901 1.00 0.00 C ATOM 672 SD MET A 121 -14.905 -5.474 -8.331 1.00 0.00 S ATOM 673 CE MET A 121 -16.186 -4.258 -8.631 1.00 0.00 C ATOM 0 H MET A 121 -12.744 -3.313 -5.145 1.00 0.00 H new ATOM 0 HA MET A 121 -15.367 -3.613 -3.882 1.00 0.00 H new ATOM 0 HB2 MET A 121 -16.019 -4.533 -6.029 1.00 0.00 H new ATOM 0 HB3 MET A 121 -15.171 -3.020 -6.280 1.00 0.00 H new ATOM 0 HG2 MET A 121 -13.328 -4.036 -7.242 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.547 -5.534 -6.359 1.00 0.00 H new ATOM 0 HE1 MET A 121 -16.548 -4.356 -9.654 1.00 0.00 H new ATOM 0 HE2 MET A 121 -17.011 -4.420 -7.937 1.00 0.00 H new ATOM 0 HE3 MET A 121 -15.779 -3.257 -8.484 1.00 0.00 H new ATOM 683 N LYS A 122 -13.417 -5.677 -3.118 1.00 0.00 N ATOM 684 CA LYS A 122 -13.095 -6.995 -2.590 1.00 0.00 C ATOM 685 C LYS A 122 -12.323 -7.811 -3.620 1.00 0.00 C ATOM 686 O LYS A 122 -12.361 -9.042 -3.610 1.00 0.00 O ATOM 687 CB LYS A 122 -14.370 -7.736 -2.183 1.00 0.00 C ATOM 688 CG LYS A 122 -14.309 -8.335 -0.786 1.00 0.00 C ATOM 689 CD LYS A 122 -12.895 -8.756 -0.419 1.00 0.00 C ATOM 690 CE LYS A 122 -12.893 -9.813 0.672 1.00 0.00 C ATOM 691 NZ LYS A 122 -12.753 -9.227 2.002 1.00 0.00 N ATOM 0 H LYS A 122 -12.855 -4.920 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 122 -12.469 -6.864 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.213 -7.047 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -14.562 -8.532 -2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -14.672 -7.607 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -14.972 -9.198 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -12.389 -9.144 -1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -12.331 -7.886 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.819 -10.385 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -12.076 -10.513 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -12.421 -9.953 2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -12.065 -8.448 1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.674 -8.862 2.319 1.00 0.00 H new ATOM 702 N MET A 123 -11.625 -7.114 -4.511 1.00 0.00 N ATOM 703 CA MET A 123 -10.844 -7.769 -5.554 1.00 0.00 C ATOM 704 C MET A 123 -9.386 -7.920 -5.129 1.00 0.00 C ATOM 705 O MET A 123 -8.519 -8.223 -5.950 1.00 0.00 O ATOM 706 CB MET A 123 -10.934 -6.972 -6.860 1.00 0.00 C ATOM 707 CG MET A 123 -9.876 -5.888 -6.991 1.00 0.00 C ATOM 708 SD MET A 123 -10.133 -4.523 -5.843 1.00 0.00 S ATOM 709 CE MET A 123 -9.555 -3.141 -6.824 1.00 0.00 C ATOM 0 H MET A 123 -11.584 -6.095 -4.531 1.00 0.00 H new ATOM 0 HA MET A 123 -11.257 -8.765 -5.716 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.843 -7.659 -7.701 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.921 -6.514 -6.928 1.00 0.00 H new ATOM 0 HG2 MET A 123 -8.892 -6.323 -6.817 1.00 0.00 H new ATOM 0 HG3 MET A 123 -9.879 -5.505 -8.011 1.00 0.00 H new ATOM 0 HE1 MET A 123 -8.875 -2.531 -6.229 1.00 0.00 H new ATOM 0 HE2 MET A 123 -9.032 -3.514 -7.705 1.00 0.00 H new ATOM 0 HE3 MET A 123 -10.406 -2.536 -7.137 1.00 0.00 H new ATOM 719 N MET A 124 -9.122 -7.710 -3.843 1.00 0.00 N ATOM 720 CA MET A 124 -7.773 -7.825 -3.310 1.00 0.00 C ATOM 721 C MET A 124 -6.765 -7.118 -4.209 1.00 0.00 C ATOM 722 O MET A 124 -5.895 -7.757 -4.802 1.00 0.00 O ATOM 723 CB MET A 124 -7.388 -9.297 -3.152 1.00 0.00 C ATOM 724 CG MET A 124 -7.942 -9.935 -1.890 1.00 0.00 C ATOM 725 SD MET A 124 -9.716 -9.668 -1.701 1.00 0.00 S ATOM 726 CE MET A 124 -9.728 -8.213 -0.656 1.00 0.00 C ATOM 0 H MET A 124 -9.828 -7.459 -3.151 1.00 0.00 H new ATOM 0 HA MET A 124 -7.757 -7.344 -2.332 1.00 0.00 H new ATOM 0 HB2 MET A 124 -7.746 -9.853 -4.018 1.00 0.00 H new ATOM 0 HB3 MET A 124 -6.301 -9.382 -3.146 1.00 0.00 H new ATOM 0 HG2 MET A 124 -7.739 -11.006 -1.909 1.00 0.00 H new ATOM 0 HG3 MET A 124 -7.422 -9.528 -1.023 1.00 0.00 H new ATOM 0 HE1 MET A 124 -10.198 -8.454 0.298 1.00 0.00 H new ATOM 0 HE2 MET A 124 -8.704 -7.881 -0.482 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.289 -7.417 -1.146 1.00 0.00 H new ATOM 736 N ASN A 125 -6.881 -5.798 -4.301 1.00 0.00 N ATOM 737 CA ASN A 125 -5.972 -5.009 -5.123 1.00 0.00 C ATOM 738 C ASN A 125 -4.596 -4.931 -4.472 1.00 0.00 C ATOM 739 O ASN A 125 -4.086 -3.844 -4.199 1.00 0.00 O ATOM 740 CB ASN A 125 -6.532 -3.602 -5.336 1.00 0.00 C ATOM 741 CG ASN A 125 -6.319 -3.102 -6.752 1.00 0.00 C ATOM 742 OD1 ASN A 125 -5.525 -2.193 -6.989 1.00 0.00 O ATOM 743 ND2 ASN A 125 -7.031 -3.698 -7.703 1.00 0.00 N ATOM 0 H ASN A 125 -7.594 -5.253 -3.817 1.00 0.00 H new ATOM 0 HA ASN A 125 -5.873 -5.498 -6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -7.598 -3.600 -5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -6.057 -2.915 -4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.930 -3.405 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -7.678 -4.448 -7.461 1.00 0.00 H new ATOM 750 N GLN A 126 -4.001 -6.092 -4.221 1.00 0.00 N ATOM 751 CA GLN A 126 -2.688 -6.164 -3.595 1.00 0.00 C ATOM 752 C GLN A 126 -1.609 -5.609 -4.518 1.00 0.00 C ATOM 753 O GLN A 126 -1.125 -6.303 -5.413 1.00 0.00 O ATOM 754 CB GLN A 126 -2.363 -7.611 -3.217 1.00 0.00 C ATOM 755 CG GLN A 126 -2.189 -8.527 -4.416 1.00 0.00 C ATOM 756 CD GLN A 126 -2.779 -9.906 -4.184 1.00 0.00 C ATOM 757 OE1 GLN A 126 -3.974 -10.122 -4.381 1.00 0.00 O ATOM 758 NE2 GLN A 126 -1.941 -10.845 -3.763 1.00 0.00 N ATOM 0 H GLN A 126 -4.410 -6.999 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.709 -5.554 -2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.449 -7.626 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.161 -8.001 -2.585 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -2.663 -8.074 -5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.128 -8.623 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -0.957 -10.621 -3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -2.281 -11.791 -3.590 1.00 0.00 H new ATOM 767 N ILE A 127 -1.236 -4.355 -4.292 1.00 0.00 N ATOM 768 CA ILE A 127 -0.212 -3.707 -5.101 1.00 0.00 C ATOM 769 C ILE A 127 1.149 -4.350 -4.865 1.00 0.00 C ATOM 770 O ILE A 127 1.401 -4.919 -3.804 1.00 0.00 O ATOM 771 CB ILE A 127 -0.115 -2.202 -4.784 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.504 -1.562 -4.801 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.805 -1.510 -5.778 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.233 -1.735 -6.116 1.00 0.00 C ATOM 0 H ILE A 127 -1.627 -3.767 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.501 -3.832 -6.145 1.00 0.00 H new ATOM 0 HB ILE A 127 0.305 -2.084 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.105 -1.996 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.408 -0.498 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.863 -0.448 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.801 -1.950 -5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.411 -1.636 -6.787 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.211 -1.257 -6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -1.653 -1.276 -6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.361 -2.797 -6.324 1.00 0.00 H new ATOM 786 N GLU A 128 2.025 -4.255 -5.862 1.00 0.00 N ATOM 787 CA GLU A 128 3.362 -4.828 -5.760 1.00 0.00 C ATOM 788 C GLU A 128 4.429 -3.759 -5.971 1.00 0.00 C ATOM 789 O GLU A 128 4.571 -3.218 -7.068 1.00 0.00 O ATOM 790 CB GLU A 128 3.538 -5.951 -6.785 1.00 0.00 C ATOM 791 CG GLU A 128 2.753 -7.209 -6.450 1.00 0.00 C ATOM 792 CD GLU A 128 2.117 -7.843 -7.673 1.00 0.00 C ATOM 793 OE1 GLU A 128 2.652 -7.654 -8.786 1.00 0.00 O ATOM 794 OE2 GLU A 128 1.083 -8.526 -7.517 1.00 0.00 O ATOM 0 H GLU A 128 1.832 -3.787 -6.748 1.00 0.00 H new ATOM 0 HA GLU A 128 3.479 -5.239 -4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.227 -5.589 -7.765 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.596 -6.202 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.417 -7.931 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.976 -6.966 -5.726 1.00 0.00 H new ATOM 801 N ALA A 129 5.176 -3.458 -4.914 1.00 0.00 N ATOM 802 CA ALA A 129 6.229 -2.451 -4.983 1.00 0.00 C ATOM 803 C ALA A 129 6.924 -2.476 -6.340 1.00 0.00 C ATOM 804 O ALA A 129 7.596 -3.447 -6.686 1.00 0.00 O ATOM 805 CB ALA A 129 7.239 -2.668 -3.865 1.00 0.00 C ATOM 0 H ALA A 129 5.072 -3.897 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 129 5.770 -1.470 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 129 8.020 -1.910 -3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.736 -2.592 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.685 -3.657 -3.965 1.00 0.00 H new ATOM 811 N ASP A 130 6.758 -1.400 -7.103 1.00 0.00 N ATOM 812 CA ASP A 130 7.371 -1.298 -8.422 1.00 0.00 C ATOM 813 C ASP A 130 8.639 -0.451 -8.367 1.00 0.00 C ATOM 814 O ASP A 130 9.480 -0.517 -9.263 1.00 0.00 O ATOM 815 CB ASP A 130 6.382 -0.694 -9.421 1.00 0.00 C ATOM 816 CG ASP A 130 6.232 0.805 -9.253 1.00 0.00 C ATOM 817 OD1 ASP A 130 6.231 1.276 -8.096 1.00 0.00 O ATOM 818 OD2 ASP A 130 6.115 1.508 -10.278 1.00 0.00 O ATOM 0 H ASP A 130 6.205 -0.588 -6.831 1.00 0.00 H new ATOM 0 HA ASP A 130 7.640 -2.302 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.716 -0.911 -10.435 1.00 0.00 H new ATOM 0 HB3 ASP A 130 5.409 -1.170 -9.297 1.00 0.00 H new ATOM 823 N LYS A 131 8.768 0.343 -7.310 1.00 0.00 N ATOM 824 CA LYS A 131 9.933 1.203 -7.138 1.00 0.00 C ATOM 825 C LYS A 131 10.528 1.038 -5.743 1.00 0.00 C ATOM 826 O LYS A 131 10.184 1.773 -4.818 1.00 0.00 O ATOM 827 CB LYS A 131 9.553 2.666 -7.373 1.00 0.00 C ATOM 828 CG LYS A 131 10.019 3.207 -8.714 1.00 0.00 C ATOM 829 CD LYS A 131 9.469 4.600 -8.973 1.00 0.00 C ATOM 830 CE LYS A 131 8.643 4.645 -10.250 1.00 0.00 C ATOM 831 NZ LYS A 131 9.498 4.578 -11.468 1.00 0.00 N ATOM 0 H LYS A 131 8.080 0.409 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 131 10.683 0.908 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.470 2.767 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.979 3.276 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 131 11.108 3.234 -8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 131 9.699 2.534 -9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 131 8.854 4.912 -8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 131 10.293 5.310 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.938 3.814 -10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.055 5.562 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 8.897 4.611 -12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 10.154 5.385 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.041 3.691 -11.463 1.00 0.00 H new ATOM 845 N SER A 132 11.425 0.066 -5.600 1.00 0.00 N ATOM 846 CA SER A 132 12.068 -0.198 -4.319 1.00 0.00 C ATOM 847 C SER A 132 11.040 -0.592 -3.265 1.00 0.00 C ATOM 848 O SER A 132 9.953 -0.017 -3.197 1.00 0.00 O ATOM 849 CB SER A 132 12.847 1.034 -3.853 1.00 0.00 C ATOM 850 OG SER A 132 12.043 1.867 -3.036 1.00 0.00 O ATOM 0 H SER A 132 11.722 -0.551 -6.356 1.00 0.00 H new ATOM 0 HA SER A 132 12.761 -1.029 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.732 0.721 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 132 13.196 1.596 -4.719 1.00 0.00 H new ATOM 0 HG SER A 132 11.111 1.815 -3.333 1.00 0.00 H new ATOM 856 N GLY A 133 11.390 -1.576 -2.443 1.00 0.00 N ATOM 857 CA GLY A 133 10.486 -2.030 -1.404 1.00 0.00 C ATOM 858 C GLY A 133 10.740 -1.345 -0.076 1.00 0.00 C ATOM 859 O GLY A 133 10.325 -1.837 0.974 1.00 0.00 O ATOM 0 H GLY A 133 12.284 -2.067 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 133 9.458 -1.844 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 133 10.592 -3.108 -1.280 1.00 0.00 H new ATOM 863 N THR A 134 11.424 -0.205 -0.120 1.00 0.00 N ATOM 864 CA THR A 134 11.731 0.548 1.090 1.00 0.00 C ATOM 865 C THR A 134 10.619 1.541 1.409 1.00 0.00 C ATOM 866 O THR A 134 10.687 2.709 1.024 1.00 0.00 O ATOM 867 CB THR A 134 13.061 1.286 0.933 1.00 0.00 C ATOM 868 OG1 THR A 134 14.090 0.390 0.551 1.00 0.00 O ATOM 869 CG2 THR A 134 13.510 1.987 2.197 1.00 0.00 C ATOM 0 H THR A 134 11.775 0.216 -0.980 1.00 0.00 H new ATOM 0 HA THR A 134 11.811 -0.158 1.917 1.00 0.00 H new ATOM 0 HB THR A 134 12.885 2.037 0.163 1.00 0.00 H new ATOM 0 HG1 THR A 134 14.932 0.881 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 134 14.460 2.490 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.760 2.721 2.492 1.00 0.00 H new ATOM 0 HG23 THR A 134 13.634 1.255 2.995 1.00 0.00 H new ATOM 877 N VAL A 135 9.595 1.069 2.113 1.00 0.00 N ATOM 878 CA VAL A 135 8.468 1.916 2.484 1.00 0.00 C ATOM 879 C VAL A 135 8.831 2.841 3.640 1.00 0.00 C ATOM 880 O VAL A 135 9.444 2.416 4.619 1.00 0.00 O ATOM 881 CB VAL A 135 7.239 1.075 2.880 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.151 1.961 3.466 1.00 0.00 C ATOM 883 CG2 VAL A 135 6.716 0.298 1.682 1.00 0.00 C ATOM 0 H VAL A 135 9.523 0.105 2.438 1.00 0.00 H new ATOM 0 HA VAL A 135 8.222 2.515 1.607 1.00 0.00 H new ATOM 0 HB VAL A 135 7.542 0.359 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.291 1.349 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.533 2.468 4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 135 5.848 2.702 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 135 5.848 -0.290 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 135 6.429 0.994 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.496 -0.368 1.312 1.00 0.00 H new ATOM 893 N LYS A 136 8.450 4.109 3.519 1.00 0.00 N ATOM 894 CA LYS A 136 8.737 5.096 4.555 1.00 0.00 C ATOM 895 C LYS A 136 7.640 5.107 5.615 1.00 0.00 C ATOM 896 O LYS A 136 7.924 5.129 6.812 1.00 0.00 O ATOM 897 CB LYS A 136 8.880 6.488 3.937 1.00 0.00 C ATOM 898 CG LYS A 136 10.169 7.194 4.321 1.00 0.00 C ATOM 899 CD LYS A 136 10.303 7.326 5.830 1.00 0.00 C ATOM 900 CE LYS A 136 9.075 7.979 6.443 1.00 0.00 C ATOM 901 NZ LYS A 136 8.772 9.294 5.814 1.00 0.00 N ATOM 0 H LYS A 136 7.942 4.477 2.715 1.00 0.00 H new ATOM 0 HA LYS A 136 9.677 4.821 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 136 8.833 6.401 2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.034 7.102 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.020 6.640 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.193 8.183 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 136 10.451 6.340 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 136 11.188 7.917 6.068 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.217 7.316 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.233 8.116 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.128 9.832 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 9.655 9.829 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 8.322 9.141 4.889 1.00 0.00 H new ATOM 915 N ALA A 137 6.390 5.092 5.168 1.00 0.00 N ATOM 916 CA ALA A 137 5.254 5.100 6.082 1.00 0.00 C ATOM 917 C ALA A 137 3.942 5.298 5.330 1.00 0.00 C ATOM 918 O ALA A 137 3.936 5.548 4.124 1.00 0.00 O ATOM 919 CB ALA A 137 5.430 6.186 7.131 1.00 0.00 C ATOM 0 H ALA A 137 6.137 5.074 4.180 1.00 0.00 H new ATOM 0 HA ALA A 137 5.214 4.131 6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.575 6.181 7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.342 6.000 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.500 7.157 6.641 1.00 0.00 H new ATOM 925 N ILE A 138 2.831 5.184 6.051 1.00 0.00 N ATOM 926 CA ILE A 138 1.511 5.349 5.456 1.00 0.00 C ATOM 927 C ILE A 138 0.752 6.494 6.117 1.00 0.00 C ATOM 928 O ILE A 138 1.041 6.869 7.253 1.00 0.00 O ATOM 929 CB ILE A 138 0.678 4.059 5.577 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.306 2.941 4.743 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.759 4.310 5.144 1.00 0.00 C ATOM 932 CD1 ILE A 138 0.620 1.603 4.912 1.00 0.00 C ATOM 0 H ILE A 138 2.820 4.978 7.050 1.00 0.00 H new ATOM 0 HA ILE A 138 1.663 5.578 4.401 1.00 0.00 H new ATOM 0 HB ILE A 138 0.670 3.747 6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.278 3.224 3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.356 2.839 5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -1.333 3.388 5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -1.201 5.078 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.773 4.644 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.118 0.858 4.292 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.671 1.298 5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -0.424 1.688 4.609 1.00 0.00 H new ATOM 944 N LEU A 139 -0.221 7.048 5.399 1.00 0.00 N ATOM 945 CA LEU A 139 -1.019 8.151 5.920 1.00 0.00 C ATOM 946 C LEU A 139 -2.496 7.774 5.983 1.00 0.00 C ATOM 947 O LEU A 139 -3.223 8.218 6.871 1.00 0.00 O ATOM 948 CB LEU A 139 -0.836 9.396 5.052 1.00 0.00 C ATOM 949 CG LEU A 139 0.504 10.115 5.222 1.00 0.00 C ATOM 950 CD1 LEU A 139 0.877 10.209 6.693 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.595 9.398 4.439 1.00 0.00 C ATOM 0 H LEU A 139 -0.475 6.751 4.457 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.675 8.368 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.947 9.110 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.639 10.098 5.277 1.00 0.00 H new ATOM 0 HG LEU A 139 0.405 11.127 4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.833 10.723 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.107 10.765 7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 139 0.959 9.206 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.542 9.922 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.693 8.376 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 139 1.333 9.382 3.381 1.00 0.00 H new ATOM 963 N VAL A 140 -2.934 6.952 5.033 1.00 0.00 N ATOM 964 CA VAL A 140 -4.325 6.517 4.981 1.00 0.00 C ATOM 965 C VAL A 140 -4.747 5.859 6.291 1.00 0.00 C ATOM 966 O VAL A 140 -5.853 6.085 6.783 1.00 0.00 O ATOM 967 CB VAL A 140 -4.563 5.527 3.825 1.00 0.00 C ATOM 968 CG1 VAL A 140 -6.013 5.070 3.803 1.00 0.00 C ATOM 969 CG2 VAL A 140 -4.174 6.156 2.496 1.00 0.00 C ATOM 0 H VAL A 140 -2.346 6.575 4.290 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.927 7.410 4.815 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.934 4.652 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -6.162 4.371 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -6.254 4.577 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -6.665 5.933 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -4.349 5.442 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.775 7.049 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.119 6.428 2.517 1.00 0.00 H new ATOM 979 N GLU A 141 -3.858 5.043 6.851 1.00 0.00 N ATOM 980 CA GLU A 141 -4.137 4.351 8.104 1.00 0.00 C ATOM 981 C GLU A 141 -4.880 3.044 7.849 1.00 0.00 C ATOM 982 O GLU A 141 -6.086 3.041 7.602 1.00 0.00 O ATOM 983 CB GLU A 141 -4.958 5.244 9.037 1.00 0.00 C ATOM 984 CG GLU A 141 -4.475 6.684 9.081 1.00 0.00 C ATOM 985 CD GLU A 141 -3.949 7.082 10.445 1.00 0.00 C ATOM 986 OE1 GLU A 141 -2.917 6.521 10.871 1.00 0.00 O ATOM 987 OE2 GLU A 141 -4.567 7.955 11.089 1.00 0.00 O ATOM 0 H GLU A 141 -2.939 4.845 6.456 1.00 0.00 H new ATOM 0 HA GLU A 141 -3.184 4.121 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -6.000 5.229 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -4.927 4.828 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -3.689 6.822 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -5.295 7.347 8.805 1.00 0.00 H new ATOM 994 N SER A 142 -4.153 1.933 7.908 1.00 0.00 N ATOM 995 CA SER A 142 -4.747 0.622 7.682 1.00 0.00 C ATOM 996 C SER A 142 -6.027 0.459 8.499 1.00 0.00 C ATOM 997 O SER A 142 -6.271 1.213 9.440 1.00 0.00 O ATOM 998 CB SER A 142 -3.753 -0.482 8.045 1.00 0.00 C ATOM 999 OG SER A 142 -4.424 -1.654 8.471 1.00 0.00 O ATOM 0 H SER A 142 -3.153 1.915 8.110 1.00 0.00 H new ATOM 0 HA SER A 142 -4.997 0.541 6.624 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.128 -0.711 7.182 1.00 0.00 H new ATOM 0 HB3 SER A 142 -3.089 -0.132 8.835 1.00 0.00 H new ATOM 0 HG SER A 142 -3.766 -2.345 8.695 1.00 0.00 H new ATOM 1005 N GLY A 143 -6.841 -0.528 8.133 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.082 -0.765 8.846 1.00 0.00 C ATOM 1007 C GLY A 143 -9.119 0.312 8.589 1.00 0.00 C ATOM 1008 O GLY A 143 -10.218 0.268 9.141 1.00 0.00 O ATOM 0 H GLY A 143 -6.663 -1.166 7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.488 -1.732 8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -7.877 -0.819 9.915 1.00 0.00 H new ATOM 1012 N GLN A 144 -8.770 1.281 7.748 1.00 0.00 N ATOM 1013 CA GLN A 144 -9.683 2.372 7.421 1.00 0.00 C ATOM 1014 C GLN A 144 -9.971 2.410 5.924 1.00 0.00 C ATOM 1015 O GLN A 144 -9.199 1.890 5.119 1.00 0.00 O ATOM 1016 CB GLN A 144 -9.094 3.710 7.872 1.00 0.00 C ATOM 1017 CG GLN A 144 -9.782 4.295 9.095 1.00 0.00 C ATOM 1018 CD GLN A 144 -9.540 5.785 9.239 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -10.365 6.509 9.797 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -8.406 6.253 8.733 1.00 0.00 N ATOM 0 H GLN A 144 -7.864 1.333 7.282 1.00 0.00 H new ATOM 0 HA GLN A 144 -10.621 2.198 7.949 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -8.035 3.576 8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -9.163 4.423 7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -10.854 4.109 9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -9.424 3.784 9.989 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -7.750 5.618 8.279 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -8.191 7.248 8.798 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.094 3.030 5.536 1.00 0.00 N ATOM 1030 CA PRO A 145 -11.494 3.142 4.131 1.00 0.00 C ATOM 1031 C PRO A 145 -10.611 4.109 3.350 1.00 0.00 C ATOM 1032 O PRO A 145 -10.304 5.204 3.823 1.00 0.00 O ATOM 1033 CB PRO A 145 -12.926 3.672 4.213 1.00 0.00 C ATOM 1034 CG PRO A 145 -12.980 4.410 5.505 1.00 0.00 C ATOM 1035 CD PRO A 145 -12.063 3.674 6.441 1.00 0.00 C ATOM 0 HA PRO A 145 -11.405 2.191 3.605 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.155 4.327 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.652 2.859 4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -12.659 5.444 5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -13.997 4.438 5.896 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -11.572 4.353 7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -12.604 2.940 7.038 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.205 3.699 2.153 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.357 4.530 1.307 1.00 0.00 C ATOM 1045 C VAL A 146 -10.194 5.386 0.361 1.00 0.00 C ATOM 1046 O VAL A 146 -11.223 4.942 -0.147 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.381 3.676 0.479 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.566 2.766 1.383 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -9.135 2.867 -0.566 1.00 0.00 C ATOM 0 H VAL A 146 -10.450 2.796 1.747 1.00 0.00 H new ATOM 0 HA VAL A 146 -8.787 5.179 1.972 1.00 0.00 H new ATOM 0 HB VAL A 146 -7.692 4.344 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.882 2.170 0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -6.995 3.370 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -8.236 2.104 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -8.429 2.269 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.849 2.209 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.668 3.543 -1.234 1.00 0.00 H new ATOM 1059 N GLU A 147 -9.744 6.615 0.129 1.00 0.00 N ATOM 1060 CA GLU A 147 -10.451 7.533 -0.758 1.00 0.00 C ATOM 1061 C GLU A 147 -9.583 7.913 -1.953 1.00 0.00 C ATOM 1062 O GLU A 147 -8.360 7.990 -1.844 1.00 0.00 O ATOM 1063 CB GLU A 147 -10.869 8.792 0.005 1.00 0.00 C ATOM 1064 CG GLU A 147 -11.484 9.863 -0.881 1.00 0.00 C ATOM 1065 CD GLU A 147 -12.682 10.534 -0.239 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -13.619 9.815 0.166 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -12.684 11.779 -0.142 1.00 0.00 O ATOM 0 H GLU A 147 -8.894 6.998 0.542 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.343 7.027 -1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -11.585 8.517 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -9.997 9.207 0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -10.730 10.616 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -11.787 9.416 -1.828 1.00 0.00 H new ATOM 1074 N PHE A 148 -10.225 8.151 -3.092 1.00 0.00 N ATOM 1075 CA PHE A 148 -9.510 8.525 -4.306 1.00 0.00 C ATOM 1076 C PHE A 148 -8.521 9.653 -4.026 1.00 0.00 C ATOM 1077 O PHE A 148 -8.913 10.758 -3.653 1.00 0.00 O ATOM 1078 CB PHE A 148 -10.501 8.946 -5.393 1.00 0.00 C ATOM 1079 CG PHE A 148 -9.915 9.860 -6.433 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -8.820 9.461 -7.191 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -10.461 11.119 -6.656 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -8.279 10.302 -8.151 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -9.924 11.965 -7.614 1.00 0.00 C ATOM 1084 CZ PHE A 148 -8.832 11.556 -8.363 1.00 0.00 C ATOM 0 H PHE A 148 -11.238 8.092 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.949 7.658 -4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -10.887 8.053 -5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -11.350 9.443 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -8.386 8.485 -7.030 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -11.313 11.442 -6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -7.428 9.981 -8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -10.356 12.941 -7.776 1.00 0.00 H new ATOM 0 HZ PHE A 148 -8.412 12.213 -9.111 1.00 0.00 H new ATOM 1094 N ASP A 149 -7.235 9.365 -4.208 1.00 0.00 N ATOM 1095 CA ASP A 149 -6.189 10.353 -3.975 1.00 0.00 C ATOM 1096 C ASP A 149 -5.777 10.374 -2.506 1.00 0.00 C ATOM 1097 O ASP A 149 -5.837 11.414 -1.850 1.00 0.00 O ATOM 1098 CB ASP A 149 -6.662 11.743 -4.404 1.00 0.00 C ATOM 1099 CG ASP A 149 -5.511 12.704 -4.624 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -4.585 12.358 -5.388 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -5.534 13.803 -4.032 1.00 0.00 O ATOM 0 H ASP A 149 -6.893 8.455 -4.516 1.00 0.00 H new ATOM 0 HA ASP A 149 -5.322 10.073 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -7.242 11.659 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -7.329 12.148 -3.643 1.00 0.00 H new ATOM 1106 N GLU A 150 -5.357 9.220 -1.998 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.933 9.106 -0.607 1.00 0.00 C ATOM 1108 C GLU A 150 -3.601 8.371 -0.502 1.00 0.00 C ATOM 1109 O GLU A 150 -3.477 7.224 -0.933 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.997 8.375 0.213 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.306 9.042 1.544 1.00 0.00 C ATOM 1112 CD GLU A 150 -7.579 9.865 1.501 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -7.581 10.920 0.833 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -8.572 9.454 2.137 1.00 0.00 O ATOM 0 H GLU A 150 -5.301 8.351 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.804 10.113 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.914 8.310 -0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.664 7.354 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -6.397 8.278 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -5.472 9.684 1.827 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.582 9.026 0.075 1.00 0.00 N ATOM 1122 CA PRO A 151 -1.251 8.435 0.239 1.00 0.00 C ATOM 1123 C PRO A 151 -1.310 7.056 0.888 1.00 0.00 C ATOM 1124 O PRO A 151 -1.192 6.924 2.107 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.531 9.427 1.152 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.212 10.729 0.905 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.650 10.396 0.616 1.00 0.00 C ATOM 0 HA PRO A 151 -0.752 8.279 -0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -0.609 9.131 2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.531 9.484 0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -1.130 11.383 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.757 11.254 0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.262 10.442 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -3.087 11.090 -0.102 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.495 6.031 0.063 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.571 4.658 0.549 1.00 0.00 C ATOM 1137 C LEU A 152 -0.250 4.227 1.176 1.00 0.00 C ATOM 1138 O LEU A 152 -0.221 3.717 2.296 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.940 3.711 -0.594 1.00 0.00 C ATOM 1140 CG LEU A 152 -3.285 3.994 -1.263 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -3.523 3.027 -2.412 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -4.415 3.906 -0.248 1.00 0.00 C ATOM 0 H LEU A 152 -1.595 6.125 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 152 -2.346 4.613 1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.158 3.759 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.950 2.691 -0.211 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.263 5.007 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -4.485 3.243 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.730 3.138 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -3.525 2.005 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -5.365 4.110 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.439 2.906 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -4.252 4.639 0.542 1.00 0.00 H new ATOM 1154 N VAL A 153 0.841 4.432 0.446 1.00 0.00 N ATOM 1155 CA VAL A 153 2.164 4.061 0.933 1.00 0.00 C ATOM 1156 C VAL A 153 3.246 4.925 0.294 1.00 0.00 C ATOM 1157 O VAL A 153 3.338 5.020 -0.930 1.00 0.00 O ATOM 1158 CB VAL A 153 2.473 2.580 0.645 1.00 0.00 C ATOM 1159 CG1 VAL A 153 3.572 2.072 1.565 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.215 1.737 0.786 1.00 0.00 C ATOM 0 H VAL A 153 0.835 4.852 -0.483 1.00 0.00 H new ATOM 0 HA VAL A 153 2.161 4.222 2.011 1.00 0.00 H new ATOM 0 HB VAL A 153 2.827 2.495 -0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 153 3.775 1.024 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 153 4.478 2.658 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.252 2.170 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 153 1.451 0.693 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 153 0.828 1.827 1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 153 0.462 2.086 0.079 1.00 0.00 H new ATOM 1170 N VAL A 154 4.066 5.554 1.130 1.00 0.00 N ATOM 1171 CA VAL A 154 5.141 6.409 0.644 1.00 0.00 C ATOM 1172 C VAL A 154 6.488 5.697 0.720 1.00 0.00 C ATOM 1173 O VAL A 154 6.909 5.255 1.789 1.00 0.00 O ATOM 1174 CB VAL A 154 5.219 7.725 1.442 1.00 0.00 C ATOM 1175 CG1 VAL A 154 3.830 8.309 1.643 1.00 0.00 C ATOM 1176 CG2 VAL A 154 5.908 7.502 2.781 1.00 0.00 C ATOM 0 H VAL A 154 4.006 5.487 2.146 1.00 0.00 H new ATOM 0 HA VAL A 154 4.915 6.640 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 154 5.812 8.439 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 154 3.904 9.238 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.376 8.510 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.212 7.598 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 154 5.953 8.443 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.346 6.771 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 154 6.919 7.132 2.613 1.00 0.00 H new ATOM 1186 N ILE A 155 7.157 5.589 -0.423 1.00 0.00 N ATOM 1187 CA ILE A 155 8.455 4.930 -0.488 1.00 0.00 C ATOM 1188 C ILE A 155 9.579 5.889 -0.117 1.00 0.00 C ATOM 1189 O ILE A 155 9.407 7.107 -0.152 1.00 0.00 O ATOM 1190 CB ILE A 155 8.725 4.360 -1.894 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.579 3.443 -2.325 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.050 3.613 -1.916 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.368 2.262 -1.403 1.00 0.00 C ATOM 0 H ILE A 155 6.821 5.949 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 155 8.429 4.111 0.230 1.00 0.00 H new ATOM 0 HB ILE A 155 8.786 5.187 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 155 6.658 4.024 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.778 3.076 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.227 3.216 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.857 4.295 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.017 2.792 -1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.540 1.656 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 155 8.274 1.657 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.138 2.620 -0.400 1.00 0.00 H new ATOM 1205 N GLU A 156 10.732 5.331 0.239 1.00 0.00 N ATOM 1206 CA GLU A 156 11.888 6.137 0.617 1.00 0.00 C ATOM 1207 C GLU A 156 12.699 6.534 -0.612 1.00 0.00 C ATOM 1208 O GLU A 156 13.411 7.557 -0.543 1.00 0.00 O ATOM 1209 CB GLU A 156 12.771 5.366 1.600 1.00 0.00 C ATOM 1210 CG GLU A 156 13.567 6.263 2.534 1.00 0.00 C ATOM 1211 CD GLU A 156 14.623 5.503 3.310 1.00 0.00 C ATOM 1212 OE1 GLU A 156 15.540 4.942 2.672 1.00 0.00 O ATOM 1213 OE2 GLU A 156 14.536 5.468 4.555 1.00 0.00 O ATOM 1214 OXT GLU A 156 12.617 5.817 -1.631 1.00 0.00 O ATOM 0 H GLU A 156 10.891 4.324 0.274 1.00 0.00 H new ATOM 0 HA GLU A 156 11.527 7.045 1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.144 4.701 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.461 4.736 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.045 7.052 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 156 12.886 6.749 3.233 1.00 0.00 H new