USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 505 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 94 LYS NZ :NH3+ 168:sc= -4.08! (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc= -4.86! K(o=-8.9!,f=0.57) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 97 ASN : amide:sc= -12.4! K(o=-12!,f=-3.3) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 123 GLN : amide:sc= -0.275 K(o=-0.27,f=-1) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 161:sc= -0.0473 (180deg=-0.497) USER MOD Single : A 135 GLN : amide:sc=-0.00109 K(o=-0.0011,f=-1.5!) USER MOD Single : A 137 ASN : amide:sc= -3.92! C(o=-3.9!,f=-5.6!) USER MOD Single : A 138 TYR OH : rot 0:sc= -0.429 USER MOD Single : A 143 LYS NZ :NH3+ -159:sc= -0.0788 (180deg=-0.565) USER MOD Single : A 144 MET CE :methyl -131:sc= -0.313 (180deg=-1.35!) USER MOD Single : A 145 MET CE :methyl -144:sc= -0.81 (180deg=-2.91!) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.0119 USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 83 -15.232 -4.012 5.998 1.00 0.00 N ATOM 41 CA GLU A 83 -14.686 -4.323 7.311 1.00 0.00 C ATOM 42 C GLU A 83 -13.268 -4.856 7.154 1.00 0.00 C ATOM 43 O GLU A 83 -12.297 -4.177 7.482 1.00 0.00 O ATOM 44 CB GLU A 83 -15.558 -5.345 8.031 1.00 0.00 C ATOM 45 CG GLU A 83 -16.848 -4.671 8.488 1.00 0.00 C ATOM 46 CD GLU A 83 -16.551 -3.663 9.594 1.00 0.00 C ATOM 47 OE1 GLU A 83 -15.523 -3.805 10.232 1.00 0.00 O ATOM 48 OE2 GLU A 83 -17.362 -2.775 9.794 1.00 0.00 O ATOM 0 HA GLU A 83 -14.668 -3.414 7.912 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.785 -6.179 7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.025 -5.756 8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.323 -4.168 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.551 -5.422 8.849 1.00 0.00 H new ATOM 55 N GLU A 84 -13.151 -6.078 6.648 1.00 0.00 N ATOM 56 CA GLU A 84 -11.840 -6.682 6.457 1.00 0.00 C ATOM 57 C GLU A 84 -10.878 -5.689 5.815 1.00 0.00 C ATOM 58 O GLU A 84 -9.739 -5.546 6.259 1.00 0.00 O ATOM 59 CB GLU A 84 -11.961 -7.937 5.583 1.00 0.00 C ATOM 60 CG GLU A 84 -12.653 -9.051 6.373 1.00 0.00 C ATOM 61 CD GLU A 84 -11.743 -9.542 7.498 1.00 0.00 C ATOM 62 OE1 GLU A 84 -10.591 -9.142 7.520 1.00 0.00 O ATOM 63 OE2 GLU A 84 -12.210 -10.321 8.312 1.00 0.00 O ATOM 0 H GLU A 84 -13.938 -6.663 6.366 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.445 -6.964 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.530 -7.710 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.972 -8.265 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.591 -8.684 6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.901 -9.878 5.708 1.00 0.00 H new ATOM 70 N LEU A 85 -11.323 -5.001 4.768 1.00 0.00 N ATOM 71 CA LEU A 85 -10.457 -4.040 4.098 1.00 0.00 C ATOM 72 C LEU A 85 -10.085 -2.911 5.062 1.00 0.00 C ATOM 73 O LEU A 85 -8.934 -2.484 5.117 1.00 0.00 O ATOM 74 CB LEU A 85 -11.163 -3.471 2.853 1.00 0.00 C ATOM 75 CG LEU A 85 -10.157 -3.275 1.713 1.00 0.00 C ATOM 76 CD1 LEU A 85 -10.888 -2.777 0.471 1.00 0.00 C ATOM 77 CD2 LEU A 85 -9.076 -2.269 2.124 1.00 0.00 C ATOM 0 H LEU A 85 -12.259 -5.088 4.372 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.544 -4.544 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.956 -4.148 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.635 -2.520 3.098 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.677 -4.229 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.173 -2.637 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.638 -3.509 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.376 -1.828 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.369 -2.140 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.540 -1.311 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.549 -2.640 3.003 1.00 0.00 H new ATOM 89 N LYS A 86 -11.064 -2.429 5.821 1.00 0.00 N ATOM 90 CA LYS A 86 -10.802 -1.352 6.767 1.00 0.00 C ATOM 91 C LYS A 86 -9.799 -1.815 7.819 1.00 0.00 C ATOM 92 O LYS A 86 -8.917 -1.059 8.223 1.00 0.00 O ATOM 93 CB LYS A 86 -12.104 -0.905 7.441 1.00 0.00 C ATOM 94 CG LYS A 86 -11.833 0.320 8.314 1.00 0.00 C ATOM 95 CD LYS A 86 -13.156 0.850 8.870 1.00 0.00 C ATOM 96 CE LYS A 86 -12.895 2.108 9.702 1.00 0.00 C ATOM 97 NZ LYS A 86 -14.190 2.643 10.211 1.00 0.00 N ATOM 0 H LYS A 86 -12.029 -2.760 5.801 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.382 -0.504 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.854 -0.668 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.508 -1.715 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.162 0.057 9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.335 1.094 7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.841 1.078 8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.635 0.088 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.232 1.875 10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.391 2.861 9.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.014 3.498 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.807 2.880 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.653 1.925 10.804 1.00 0.00 H new ATOM 111 N GLU A 87 -9.931 -3.062 8.252 1.00 0.00 N ATOM 112 CA GLU A 87 -9.016 -3.602 9.250 1.00 0.00 C ATOM 113 C GLU A 87 -7.627 -3.789 8.649 1.00 0.00 C ATOM 114 O GLU A 87 -6.630 -3.345 9.216 1.00 0.00 O ATOM 115 CB GLU A 87 -9.541 -4.940 9.773 1.00 0.00 C ATOM 116 CG GLU A 87 -8.631 -5.431 10.900 1.00 0.00 C ATOM 117 CD GLU A 87 -9.199 -6.708 11.511 1.00 0.00 C ATOM 118 OE1 GLU A 87 -10.086 -7.287 10.907 1.00 0.00 O ATOM 119 OE2 GLU A 87 -8.739 -7.085 12.575 1.00 0.00 O ATOM 0 H GLU A 87 -10.651 -3.711 7.934 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.948 -2.897 10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.562 -4.826 10.137 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.570 -5.673 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.629 -5.617 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.539 -4.661 11.666 1.00 0.00 H new ATOM 126 N ALA A 88 -7.566 -4.444 7.496 1.00 0.00 N ATOM 127 CA ALA A 88 -6.285 -4.672 6.839 1.00 0.00 C ATOM 128 C ALA A 88 -5.560 -3.347 6.636 1.00 0.00 C ATOM 129 O ALA A 88 -4.376 -3.224 6.943 1.00 0.00 O ATOM 130 CB ALA A 88 -6.505 -5.365 5.492 1.00 0.00 C ATOM 0 H ALA A 88 -8.375 -4.822 7.003 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.671 -5.315 7.470 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.543 -5.532 5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.002 -6.322 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.127 -4.735 4.856 1.00 0.00 H new ATOM 136 N PHE A 89 -6.280 -2.353 6.134 1.00 0.00 N ATOM 137 CA PHE A 89 -5.685 -1.040 5.908 1.00 0.00 C ATOM 138 C PHE A 89 -5.091 -0.511 7.206 1.00 0.00 C ATOM 139 O PHE A 89 -3.979 0.011 7.223 1.00 0.00 O ATOM 140 CB PHE A 89 -6.747 -0.066 5.388 1.00 0.00 C ATOM 141 CG PHE A 89 -6.139 1.307 5.218 1.00 0.00 C ATOM 142 CD1 PHE A 89 -5.977 2.144 6.329 1.00 0.00 C ATOM 143 CD2 PHE A 89 -5.749 1.750 3.948 1.00 0.00 C ATOM 144 CE1 PHE A 89 -5.424 3.419 6.170 1.00 0.00 C ATOM 145 CE2 PHE A 89 -5.202 3.026 3.791 1.00 0.00 C ATOM 146 CZ PHE A 89 -5.037 3.861 4.901 1.00 0.00 C ATOM 0 H PHE A 89 -7.265 -2.427 5.878 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.894 -1.133 5.164 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.143 -0.419 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.584 -0.020 6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.279 1.805 7.309 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.871 1.105 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.296 4.062 7.028 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.906 3.368 2.810 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.611 4.846 4.778 1.00 0.00 H new ATOM 156 N LYS A 90 -5.833 -0.653 8.296 1.00 0.00 N ATOM 157 CA LYS A 90 -5.355 -0.189 9.593 1.00 0.00 C ATOM 158 C LYS A 90 -4.084 -0.925 10.003 1.00 0.00 C ATOM 159 O LYS A 90 -3.231 -0.366 10.691 1.00 0.00 O ATOM 160 CB LYS A 90 -6.439 -0.402 10.656 1.00 0.00 C ATOM 161 CG LYS A 90 -7.637 0.525 10.364 1.00 0.00 C ATOM 162 CD LYS A 90 -7.419 1.896 11.031 1.00 0.00 C ATOM 163 CE LYS A 90 -7.927 1.851 12.474 1.00 0.00 C ATOM 164 NZ LYS A 90 -7.525 3.096 13.176 1.00 0.00 N ATOM 0 H LYS A 90 -6.759 -1.081 8.310 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.127 0.874 9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.763 -1.443 10.657 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.037 -0.193 11.647 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.756 0.650 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.556 0.073 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.360 2.155 11.015 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.945 2.671 10.473 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.012 1.747 12.486 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.518 0.982 12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.869 3.068 14.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.488 3.176 13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.936 3.918 12.688 1.00 0.00 H new ATOM 178 N VAL A 91 -3.955 -2.174 9.570 1.00 0.00 N ATOM 179 CA VAL A 91 -2.766 -2.956 9.899 1.00 0.00 C ATOM 180 C VAL A 91 -1.544 -2.444 9.135 1.00 0.00 C ATOM 181 O VAL A 91 -0.468 -2.275 9.703 1.00 0.00 O ATOM 182 CB VAL A 91 -3.004 -4.437 9.594 1.00 0.00 C ATOM 183 CG1 VAL A 91 -1.701 -5.218 9.785 1.00 0.00 C ATOM 184 CG2 VAL A 91 -4.065 -4.981 10.553 1.00 0.00 C ATOM 0 H VAL A 91 -4.646 -2.662 9.000 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.569 -2.844 10.965 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.343 -4.547 8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.873 -6.272 9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.940 -4.827 9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.360 -5.111 10.815 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.240 -6.036 10.342 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.718 -4.869 11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.994 -4.426 10.421 1.00 0.00 H new ATOM 194 N PHE A 92 -1.713 -2.206 7.837 1.00 0.00 N ATOM 195 CA PHE A 92 -0.606 -1.721 7.017 1.00 0.00 C ATOM 196 C PHE A 92 -0.198 -0.327 7.439 1.00 0.00 C ATOM 197 O PHE A 92 0.973 0.030 7.362 1.00 0.00 O ATOM 198 CB PHE A 92 -0.994 -1.692 5.530 1.00 0.00 C ATOM 199 CG PHE A 92 -1.720 -2.963 5.154 1.00 0.00 C ATOM 200 CD1 PHE A 92 -1.301 -4.200 5.664 1.00 0.00 C ATOM 201 CD2 PHE A 92 -2.820 -2.901 4.291 1.00 0.00 C ATOM 202 CE1 PHE A 92 -1.976 -5.364 5.314 1.00 0.00 C ATOM 203 CE2 PHE A 92 -3.497 -4.070 3.940 1.00 0.00 C ATOM 204 CZ PHE A 92 -3.073 -5.306 4.453 1.00 0.00 C ATOM 0 H PHE A 92 -2.592 -2.338 7.336 1.00 0.00 H new ATOM 0 HA PHE A 92 0.229 -2.407 7.160 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.629 -0.829 5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -0.101 -1.580 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.452 -4.249 6.330 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.145 -1.949 3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.651 -6.315 5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.346 -4.024 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.595 -6.211 4.182 1.00 0.00 H new ATOM 214 N ASP A 93 -1.165 0.460 7.877 1.00 0.00 N ATOM 215 CA ASP A 93 -0.881 1.825 8.292 1.00 0.00 C ATOM 216 C ASP A 93 -0.341 1.878 9.711 1.00 0.00 C ATOM 217 O ASP A 93 -0.901 2.554 10.563 1.00 0.00 O ATOM 218 CB ASP A 93 -2.146 2.679 8.185 1.00 0.00 C ATOM 219 CG ASP A 93 -1.786 4.167 8.209 1.00 0.00 C ATOM 220 OD1 ASP A 93 -0.659 4.502 7.851 1.00 0.00 O ATOM 221 OD2 ASP A 93 -2.647 4.949 8.575 1.00 0.00 O ATOM 0 H ASP A 93 -2.144 0.183 7.955 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.115 2.222 7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.677 2.441 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -2.820 2.448 9.010 1.00 0.00 H new ATOM 226 N LYS A 94 0.743 1.150 9.974 1.00 0.00 N ATOM 227 CA LYS A 94 1.328 1.144 11.314 1.00 0.00 C ATOM 228 C LYS A 94 1.364 2.566 11.878 1.00 0.00 C ATOM 229 O LYS A 94 1.165 2.778 13.074 1.00 0.00 O ATOM 230 CB LYS A 94 2.743 0.563 11.276 1.00 0.00 C ATOM 231 CG LYS A 94 2.676 -0.943 11.017 1.00 0.00 C ATOM 232 CD LYS A 94 4.094 -1.518 11.002 1.00 0.00 C ATOM 233 CE LYS A 94 4.033 -3.027 10.760 1.00 0.00 C ATOM 234 NZ LYS A 94 5.412 -3.592 10.797 1.00 0.00 N ATOM 0 H LYS A 94 1.227 0.567 9.291 1.00 0.00 H new ATOM 0 HA LYS A 94 0.710 0.520 11.960 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.326 1.050 10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.251 0.757 12.220 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.082 -1.430 11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.182 -1.138 10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.684 -1.038 10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.591 -1.311 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.413 -3.503 11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.570 -3.233 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.361 -4.630 10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.928 -3.303 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.910 -3.237 11.638 1.00 0.00 H new ATOM 248 N ASP A 95 1.617 3.538 11.008 1.00 0.00 N ATOM 249 CA ASP A 95 1.670 4.935 11.433 1.00 0.00 C ATOM 250 C ASP A 95 0.286 5.423 11.836 1.00 0.00 C ATOM 251 O ASP A 95 0.149 6.418 12.541 1.00 0.00 O ATOM 252 CB ASP A 95 2.195 5.806 10.303 1.00 0.00 C ATOM 253 CG ASP A 95 2.226 7.261 10.726 1.00 0.00 C ATOM 254 OD1 ASP A 95 2.163 7.518 11.919 1.00 0.00 O ATOM 255 OD2 ASP A 95 2.302 8.100 9.839 1.00 0.00 O ATOM 0 H ASP A 95 1.787 3.388 10.013 1.00 0.00 H new ATOM 0 HA ASP A 95 2.339 5.005 12.291 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.197 5.482 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.563 5.690 9.423 1.00 0.00 H new ATOM 260 N GLN A 96 -0.739 4.713 11.384 1.00 0.00 N ATOM 261 CA GLN A 96 -2.107 5.084 11.708 1.00 0.00 C ATOM 262 C GLN A 96 -2.376 6.534 11.324 1.00 0.00 C ATOM 263 O GLN A 96 -3.141 7.226 11.990 1.00 0.00 O ATOM 264 CB GLN A 96 -2.360 4.903 13.211 1.00 0.00 C ATOM 265 CG GLN A 96 -2.428 3.416 13.564 1.00 0.00 C ATOM 266 CD GLN A 96 -2.609 3.247 15.071 1.00 0.00 C ATOM 267 OE1 GLN A 96 -1.783 3.719 15.853 1.00 0.00 O ATOM 268 NE2 GLN A 96 -3.645 2.598 15.527 1.00 0.00 N ATOM 0 H GLN A 96 -0.649 3.884 10.797 1.00 0.00 H new ATOM 0 HA GLN A 96 -2.778 4.437 11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.564 5.383 13.781 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.292 5.393 13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.256 2.945 13.034 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.516 2.914 13.240 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.328 2.208 14.878 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.772 2.481 16.532 1.00 0.00 H new ATOM 277 N ASN A 97 -1.737 7.000 10.251 1.00 0.00 N ATOM 278 CA ASN A 97 -1.919 8.382 9.805 1.00 0.00 C ATOM 279 C ASN A 97 -3.036 8.483 8.770 1.00 0.00 C ATOM 280 O ASN A 97 -3.260 9.545 8.196 1.00 0.00 O ATOM 281 CB ASN A 97 -0.622 8.911 9.199 1.00 0.00 C ATOM 282 CG ASN A 97 -0.135 7.964 8.112 1.00 0.00 C ATOM 283 OD1 ASN A 97 0.930 8.177 7.533 1.00 0.00 O ATOM 284 ND2 ASN A 97 -0.856 6.924 7.799 1.00 0.00 N ATOM 0 H ASN A 97 -1.096 6.449 9.680 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.192 8.981 10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.784 9.905 8.782 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.138 9.011 9.974 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.538 6.283 7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.738 6.751 8.281 1.00 0.00 H new ATOM 291 N GLY A 98 -3.742 7.378 8.540 1.00 0.00 N ATOM 292 CA GLY A 98 -4.838 7.373 7.575 1.00 0.00 C ATOM 293 C GLY A 98 -4.325 7.203 6.149 1.00 0.00 C ATOM 294 O GLY A 98 -5.111 7.110 5.206 1.00 0.00 O ATOM 0 H GLY A 98 -3.577 6.484 9.003 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.530 6.565 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.397 8.305 7.653 1.00 0.00 H new ATOM 298 N TYR A 99 -3.003 7.169 5.991 1.00 0.00 N ATOM 299 CA TYR A 99 -2.391 7.010 4.667 1.00 0.00 C ATOM 300 C TYR A 99 -1.282 5.962 4.717 1.00 0.00 C ATOM 301 O TYR A 99 -0.482 5.952 5.644 1.00 0.00 O ATOM 302 CB TYR A 99 -1.789 8.345 4.216 1.00 0.00 C ATOM 303 CG TYR A 99 -2.896 9.289 3.821 1.00 0.00 C ATOM 304 CD1 TYR A 99 -3.689 9.887 4.805 1.00 0.00 C ATOM 305 CD2 TYR A 99 -3.132 9.562 2.471 1.00 0.00 C ATOM 306 CE1 TYR A 99 -4.719 10.760 4.439 1.00 0.00 C ATOM 307 CE2 TYR A 99 -4.160 10.437 2.105 1.00 0.00 C ATOM 308 CZ TYR A 99 -4.954 11.037 3.088 1.00 0.00 C ATOM 309 OH TYR A 99 -5.969 11.900 2.727 1.00 0.00 O ATOM 0 H TYR A 99 -2.335 7.249 6.758 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.160 6.689 3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -1.197 8.779 5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.115 8.186 3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.506 9.675 5.848 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.521 9.098 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -5.333 11.220 5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.341 10.650 1.062 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.996 11.983 1.751 1.00 0.00 H new ATOM 319 N ILE A 100 -1.217 5.086 3.716 1.00 0.00 N ATOM 320 CA ILE A 100 -0.165 4.071 3.691 1.00 0.00 C ATOM 321 C ILE A 100 1.069 4.658 2.999 1.00 0.00 C ATOM 322 O ILE A 100 0.975 5.188 1.888 1.00 0.00 O ATOM 323 CB ILE A 100 -0.620 2.812 2.955 1.00 0.00 C ATOM 324 CG1 ILE A 100 -1.944 2.305 3.542 1.00 0.00 C ATOM 325 CG2 ILE A 100 0.455 1.730 3.105 1.00 0.00 C ATOM 326 CD1 ILE A 100 -2.435 1.096 2.734 1.00 0.00 C ATOM 0 H ILE A 100 -1.864 5.057 2.928 1.00 0.00 H new ATOM 0 HA ILE A 100 0.072 3.788 4.716 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.769 3.045 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.807 2.026 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.691 3.098 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.138 0.827 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.392 2.087 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.600 1.505 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.375 0.737 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.588 1.390 1.696 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.691 0.301 2.780 1.00 0.00 H new ATOM 338 N SER A 101 2.217 4.580 3.673 1.00 0.00 N ATOM 339 CA SER A 101 3.464 5.126 3.124 1.00 0.00 C ATOM 340 C SER A 101 4.253 4.044 2.394 1.00 0.00 C ATOM 341 O SER A 101 4.001 2.853 2.578 1.00 0.00 O ATOM 342 CB SER A 101 4.319 5.711 4.252 1.00 0.00 C ATOM 343 OG SER A 101 3.744 6.933 4.692 1.00 0.00 O ATOM 0 H SER A 101 2.312 4.148 4.592 1.00 0.00 H new ATOM 0 HA SER A 101 3.210 5.913 2.413 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.380 5.006 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.337 5.880 3.902 1.00 0.00 H new ATOM 0 HG SER A 101 4.288 7.309 5.415 1.00 0.00 H new ATOM 349 N ALA A 102 5.209 4.455 1.565 1.00 0.00 N ATOM 350 CA ALA A 102 6.013 3.487 0.827 1.00 0.00 C ATOM 351 C ALA A 102 6.613 2.470 1.795 1.00 0.00 C ATOM 352 O ALA A 102 6.602 1.268 1.529 1.00 0.00 O ATOM 353 CB ALA A 102 7.127 4.197 0.056 1.00 0.00 C ATOM 0 H ALA A 102 5.443 5.432 1.390 1.00 0.00 H new ATOM 0 HA ALA A 102 5.373 2.969 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.718 3.461 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.689 4.904 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.769 4.732 0.755 1.00 0.00 H new ATOM 359 N SER A 103 7.131 2.951 2.924 1.00 0.00 N ATOM 360 CA SER A 103 7.721 2.058 3.918 1.00 0.00 C ATOM 361 C SER A 103 6.689 1.024 4.386 1.00 0.00 C ATOM 362 O SER A 103 7.021 -0.140 4.605 1.00 0.00 O ATOM 363 CB SER A 103 8.240 2.864 5.111 1.00 0.00 C ATOM 364 OG SER A 103 9.253 3.758 4.666 1.00 0.00 O ATOM 0 H SER A 103 7.154 3.940 3.171 1.00 0.00 H new ATOM 0 HA SER A 103 8.558 1.531 3.459 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.424 3.420 5.572 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.639 2.194 5.872 1.00 0.00 H new ATOM 0 HG SER A 103 9.588 4.278 5.426 1.00 0.00 H new ATOM 370 N GLU A 104 5.436 1.445 4.541 1.00 0.00 N ATOM 371 CA GLU A 104 4.399 0.536 4.958 1.00 0.00 C ATOM 372 C GLU A 104 3.980 -0.359 3.787 1.00 0.00 C ATOM 373 O GLU A 104 3.744 -1.551 3.968 1.00 0.00 O ATOM 374 CB GLU A 104 3.205 1.337 5.462 1.00 0.00 C ATOM 375 CG GLU A 104 3.565 2.026 6.776 1.00 0.00 C ATOM 376 CD GLU A 104 2.465 3.010 7.159 1.00 0.00 C ATOM 377 OE1 GLU A 104 1.567 3.185 6.363 1.00 0.00 O ATOM 378 OE2 GLU A 104 2.539 3.584 8.233 1.00 0.00 O ATOM 0 H GLU A 104 5.127 2.404 4.383 1.00 0.00 H new ATOM 0 HA GLU A 104 4.773 -0.100 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.913 2.079 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.349 0.679 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.693 1.284 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.516 2.550 6.675 1.00 0.00 H new ATOM 385 N LEU A 105 3.887 0.218 2.587 1.00 0.00 N ATOM 386 CA LEU A 105 3.482 -0.560 1.417 1.00 0.00 C ATOM 387 C LEU A 105 4.485 -1.688 1.153 1.00 0.00 C ATOM 388 O LEU A 105 4.108 -2.843 0.949 1.00 0.00 O ATOM 389 CB LEU A 105 3.402 0.366 0.182 1.00 0.00 C ATOM 390 CG LEU A 105 2.403 -0.182 -0.862 1.00 0.00 C ATOM 391 CD1 LEU A 105 2.762 -1.626 -1.235 1.00 0.00 C ATOM 392 CD2 LEU A 105 0.961 -0.128 -0.309 1.00 0.00 C ATOM 0 H LEU A 105 4.083 1.202 2.402 1.00 0.00 H new ATOM 0 HA LEU A 105 2.503 -1.000 1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.097 1.365 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.389 0.460 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 105 2.462 0.441 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.050 -1.999 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.767 -1.654 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.724 -2.252 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.270 -0.517 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.895 -0.732 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.699 0.904 -0.076 1.00 0.00 H new ATOM 404 N ARG A 106 5.767 -1.352 1.176 1.00 0.00 N ATOM 405 CA ARG A 106 6.797 -2.353 0.941 1.00 0.00 C ATOM 406 C ARG A 106 6.766 -3.399 2.051 1.00 0.00 C ATOM 407 O ARG A 106 6.866 -4.596 1.792 1.00 0.00 O ATOM 408 CB ARG A 106 8.176 -1.687 0.853 1.00 0.00 C ATOM 409 CG ARG A 106 8.577 -1.153 2.223 1.00 0.00 C ATOM 410 CD ARG A 106 9.894 -0.395 2.127 1.00 0.00 C ATOM 411 NE ARG A 106 10.350 -0.046 3.470 1.00 0.00 N ATOM 412 CZ ARG A 106 11.027 -0.921 4.206 1.00 0.00 C ATOM 413 NH1 ARG A 106 11.300 -2.100 3.718 1.00 0.00 N ATOM 414 NH2 ARG A 106 11.416 -0.605 5.412 1.00 0.00 N ATOM 0 H ARG A 106 6.115 -0.409 1.352 1.00 0.00 H new ATOM 0 HA ARG A 106 6.602 -2.851 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.916 -2.406 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.152 -0.874 0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.798 -0.495 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.674 -1.978 2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.643 -1.007 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.765 0.507 1.529 1.00 0.00 H new ATOM 0 HE ARG A 106 10.147 0.880 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.994 -2.346 2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.819 -2.776 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.200 0.317 5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.935 -1.280 5.974 1.00 0.00 H new ATOM 428 N HIS A 107 6.619 -2.946 3.296 1.00 0.00 N ATOM 429 CA HIS A 107 6.577 -3.869 4.422 1.00 0.00 C ATOM 430 C HIS A 107 5.520 -4.933 4.169 1.00 0.00 C ATOM 431 O HIS A 107 5.735 -6.114 4.441 1.00 0.00 O ATOM 432 CB HIS A 107 6.265 -3.112 5.714 1.00 0.00 C ATOM 433 CG HIS A 107 6.140 -4.089 6.850 1.00 0.00 C ATOM 434 ND1 HIS A 107 5.042 -4.097 7.696 1.00 0.00 N ATOM 435 CD2 HIS A 107 6.959 -5.101 7.286 1.00 0.00 C ATOM 436 CE1 HIS A 107 5.228 -5.087 8.589 1.00 0.00 C ATOM 437 NE2 HIS A 107 6.381 -5.728 8.385 1.00 0.00 N ATOM 0 H HIS A 107 6.529 -1.961 3.545 1.00 0.00 H new ATOM 0 HA HIS A 107 7.550 -4.349 4.528 1.00 0.00 H new ATOM 0 HB2 HIS A 107 7.055 -2.391 5.925 1.00 0.00 H new ATOM 0 HB3 HIS A 107 5.339 -2.547 5.603 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.907 -5.369 6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.529 -5.333 9.375 1.00 0.00 H new ATOM 0 HE2 HIS A 107 6.758 -6.510 8.920 1.00 0.00 H new ATOM 446 N VAL A 108 4.388 -4.514 3.624 1.00 0.00 N ATOM 447 CA VAL A 108 3.318 -5.447 3.312 1.00 0.00 C ATOM 448 C VAL A 108 3.772 -6.419 2.226 1.00 0.00 C ATOM 449 O VAL A 108 3.465 -7.610 2.281 1.00 0.00 O ATOM 450 CB VAL A 108 2.064 -4.696 2.854 1.00 0.00 C ATOM 451 CG1 VAL A 108 1.035 -5.688 2.305 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.458 -3.955 4.047 1.00 0.00 C ATOM 0 H VAL A 108 4.188 -3.541 3.390 1.00 0.00 H new ATOM 0 HA VAL A 108 3.074 -6.009 4.214 1.00 0.00 H new ATOM 0 HB VAL A 108 2.335 -3.986 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.146 -5.148 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.463 -6.224 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.763 -6.399 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.565 -3.419 3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.192 -4.672 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.185 -3.246 4.442 1.00 0.00 H new ATOM 462 N MET A 109 4.496 -5.908 1.231 1.00 0.00 N ATOM 463 CA MET A 109 4.961 -6.760 0.144 1.00 0.00 C ATOM 464 C MET A 109 5.888 -7.846 0.681 1.00 0.00 C ATOM 465 O MET A 109 5.760 -9.013 0.319 1.00 0.00 O ATOM 466 CB MET A 109 5.700 -5.908 -0.897 1.00 0.00 C ATOM 467 CG MET A 109 4.689 -5.104 -1.720 1.00 0.00 C ATOM 468 SD MET A 109 3.703 -6.223 -2.746 1.00 0.00 S ATOM 469 CE MET A 109 2.675 -4.958 -3.530 1.00 0.00 C ATOM 0 H MET A 109 4.768 -4.928 1.157 1.00 0.00 H new ATOM 0 HA MET A 109 4.101 -7.238 -0.325 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.397 -5.233 -0.400 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.289 -6.549 -1.553 1.00 0.00 H new ATOM 0 HG2 MET A 109 4.037 -4.535 -1.057 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.210 -4.383 -2.350 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.977 -5.433 -4.219 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.118 -4.416 -2.765 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.310 -4.262 -4.078 1.00 0.00 H new ATOM 479 N ILE A 110 6.812 -7.466 1.554 1.00 0.00 N ATOM 480 CA ILE A 110 7.728 -8.442 2.128 1.00 0.00 C ATOM 481 C ILE A 110 6.954 -9.448 2.967 1.00 0.00 C ATOM 482 O ILE A 110 7.186 -10.651 2.875 1.00 0.00 O ATOM 483 CB ILE A 110 8.791 -7.731 2.992 1.00 0.00 C ATOM 484 CG1 ILE A 110 9.879 -7.114 2.089 1.00 0.00 C ATOM 485 CG2 ILE A 110 9.440 -8.732 3.959 1.00 0.00 C ATOM 486 CD1 ILE A 110 9.374 -5.798 1.500 1.00 0.00 C ATOM 0 H ILE A 110 6.946 -6.507 1.875 1.00 0.00 H new ATOM 0 HA ILE A 110 8.234 -8.971 1.320 1.00 0.00 H new ATOM 0 HB ILE A 110 8.304 -6.941 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.788 -6.941 2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 110 10.136 -7.807 1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 110 10.189 -8.220 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.676 -9.157 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 110 9.917 -9.530 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.145 -5.365 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 110 8.477 -5.984 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.139 -5.104 2.307 1.00 0.00 H new ATOM 498 N ASN A 111 6.030 -8.951 3.777 1.00 0.00 N ATOM 499 CA ASN A 111 5.233 -9.828 4.622 1.00 0.00 C ATOM 500 C ASN A 111 4.420 -10.778 3.752 1.00 0.00 C ATOM 501 O ASN A 111 4.203 -11.932 4.115 1.00 0.00 O ATOM 502 CB ASN A 111 4.300 -9.005 5.511 1.00 0.00 C ATOM 503 CG ASN A 111 3.430 -9.931 6.357 1.00 0.00 C ATOM 504 OD1 ASN A 111 2.253 -10.122 6.056 1.00 0.00 O ATOM 505 ND2 ASN A 111 3.943 -10.519 7.406 1.00 0.00 N ATOM 0 H ASN A 111 5.815 -7.958 3.867 1.00 0.00 H new ATOM 0 HA ASN A 111 5.900 -10.407 5.260 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.885 -8.351 6.158 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.670 -8.364 4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.367 -11.138 7.977 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.919 -10.359 7.654 1.00 0.00 H new ATOM 512 N LEU A 112 3.983 -10.287 2.598 1.00 0.00 N ATOM 513 CA LEU A 112 3.198 -11.107 1.685 1.00 0.00 C ATOM 514 C LEU A 112 4.086 -12.095 0.934 1.00 0.00 C ATOM 515 O LEU A 112 3.597 -12.933 0.179 1.00 0.00 O ATOM 516 CB LEU A 112 2.471 -10.218 0.671 1.00 0.00 C ATOM 517 CG LEU A 112 1.241 -9.560 1.324 1.00 0.00 C ATOM 518 CD1 LEU A 112 0.651 -8.513 0.367 1.00 0.00 C ATOM 519 CD2 LEU A 112 0.170 -10.621 1.649 1.00 0.00 C ATOM 0 H LEU A 112 4.157 -9.335 2.275 1.00 0.00 H new ATOM 0 HA LEU A 112 2.472 -11.664 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.149 -9.450 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.161 -10.813 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 112 1.551 -9.079 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.219 -8.047 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.401 -7.751 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.353 -8.997 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.692 -10.139 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.141 -11.118 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.585 -11.357 2.337 1.00 0.00 H new ATOM 531 N GLY A 113 5.383 -11.993 1.144 1.00 0.00 N ATOM 532 CA GLY A 113 6.324 -12.890 0.480 1.00 0.00 C ATOM 533 C GLY A 113 6.639 -12.395 -0.928 1.00 0.00 C ATOM 534 O GLY A 113 7.150 -13.144 -1.759 1.00 0.00 O ATOM 0 H GLY A 113 5.813 -11.306 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.243 -12.956 1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.904 -13.895 0.432 1.00 0.00 H new ATOM 538 N GLU A 114 6.335 -11.124 -1.188 1.00 0.00 N ATOM 539 CA GLU A 114 6.591 -10.518 -2.498 1.00 0.00 C ATOM 540 C GLU A 114 7.619 -9.398 -2.354 1.00 0.00 C ATOM 541 O GLU A 114 7.516 -8.570 -1.450 1.00 0.00 O ATOM 542 CB GLU A 114 5.294 -9.939 -3.073 1.00 0.00 C ATOM 543 CG GLU A 114 4.327 -11.071 -3.425 1.00 0.00 C ATOM 544 CD GLU A 114 3.006 -10.488 -3.917 1.00 0.00 C ATOM 545 OE1 GLU A 114 2.895 -9.273 -3.950 1.00 0.00 O ATOM 546 OE2 GLU A 114 2.126 -11.263 -4.255 1.00 0.00 O ATOM 0 H GLU A 114 5.911 -10.492 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 114 6.973 -11.285 -3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.833 -9.268 -2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.513 -9.347 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.763 -11.708 -4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.155 -11.699 -2.551 1.00 0.00 H new ATOM 553 N LYS A 115 8.613 -9.372 -3.243 1.00 0.00 N ATOM 554 CA LYS A 115 9.658 -8.339 -3.194 1.00 0.00 C ATOM 555 C LYS A 115 9.880 -7.747 -4.584 1.00 0.00 C ATOM 556 O LYS A 115 10.404 -8.413 -5.473 1.00 0.00 O ATOM 557 CB LYS A 115 10.967 -8.951 -2.687 1.00 0.00 C ATOM 558 CG LYS A 115 11.114 -10.369 -3.249 1.00 0.00 C ATOM 559 CD LYS A 115 12.547 -10.862 -3.027 1.00 0.00 C ATOM 560 CE LYS A 115 12.800 -11.052 -1.530 1.00 0.00 C ATOM 561 NZ LYS A 115 14.028 -11.868 -1.336 1.00 0.00 N ATOM 0 H LYS A 115 8.720 -10.046 -4.001 1.00 0.00 H new ATOM 0 HA LYS A 115 9.338 -7.548 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.813 -8.336 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.972 -8.977 -1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.408 -11.040 -2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.877 -10.376 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.704 -11.803 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.257 -10.144 -3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.913 -10.083 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.946 -11.544 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.201 -11.998 -0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.903 -12.797 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.840 -11.381 -1.766 1.00 0.00 H new ATOM 575 N LEU A 116 9.481 -6.491 -4.767 1.00 0.00 N ATOM 576 CA LEU A 116 9.640 -5.813 -6.059 1.00 0.00 C ATOM 577 C LEU A 116 10.734 -4.769 -5.955 1.00 0.00 C ATOM 578 O LEU A 116 11.111 -4.373 -4.854 1.00 0.00 O ATOM 579 CB LEU A 116 8.320 -5.143 -6.474 1.00 0.00 C ATOM 580 CG LEU A 116 7.159 -6.154 -6.370 1.00 0.00 C ATOM 581 CD1 LEU A 116 7.526 -7.452 -7.119 1.00 0.00 C ATOM 582 CD2 LEU A 116 6.844 -6.470 -4.885 1.00 0.00 C ATOM 0 H LEU A 116 9.046 -5.920 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 116 9.913 -6.550 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.122 -4.283 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.398 -4.770 -7.495 1.00 0.00 H new ATOM 0 HG LEU A 116 6.272 -5.715 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.702 -8.162 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.713 -7.226 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.422 -7.887 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.023 -7.185 -4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.727 -6.896 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.561 -5.552 -4.370 1.00 0.00 H new ATOM 594 N THR A 117 11.248 -4.325 -7.093 1.00 0.00 N ATOM 595 CA THR A 117 12.303 -3.321 -7.081 1.00 0.00 C ATOM 596 C THR A 117 11.716 -1.976 -6.669 1.00 0.00 C ATOM 597 O THR A 117 10.501 -1.791 -6.702 1.00 0.00 O ATOM 598 CB THR A 117 12.944 -3.210 -8.466 1.00 0.00 C ATOM 599 OG1 THR A 117 11.927 -3.158 -9.454 1.00 0.00 O ATOM 600 CG2 THR A 117 13.843 -4.421 -8.721 1.00 0.00 C ATOM 0 H THR A 117 10.959 -4.637 -8.020 1.00 0.00 H new ATOM 0 HA THR A 117 13.071 -3.616 -6.366 1.00 0.00 H new ATOM 0 HB THR A 117 13.545 -2.302 -8.512 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.336 -3.085 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.296 -4.336 -9.709 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.626 -4.458 -7.964 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.248 -5.333 -8.672 1.00 0.00 H new ATOM 608 N ASP A 118 12.569 -1.035 -6.278 1.00 0.00 N ATOM 609 CA ASP A 118 12.085 0.279 -5.860 1.00 0.00 C ATOM 610 C ASP A 118 11.375 0.976 -7.015 1.00 0.00 C ATOM 611 O ASP A 118 10.359 1.639 -6.818 1.00 0.00 O ATOM 612 CB ASP A 118 13.250 1.142 -5.369 1.00 0.00 C ATOM 613 CG ASP A 118 13.737 0.634 -4.013 1.00 0.00 C ATOM 614 OD1 ASP A 118 13.014 -0.128 -3.391 1.00 0.00 O ATOM 615 OD2 ASP A 118 14.826 1.014 -3.618 1.00 0.00 O ATOM 0 H ASP A 118 13.582 -1.152 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 118 11.377 0.141 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 118 14.065 1.114 -6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.934 2.182 -5.286 1.00 0.00 H new ATOM 620 N GLU A 119 11.908 0.822 -8.219 1.00 0.00 N ATOM 621 CA GLU A 119 11.301 1.446 -9.389 1.00 0.00 C ATOM 622 C GLU A 119 9.884 0.930 -9.600 1.00 0.00 C ATOM 623 O GLU A 119 9.008 1.666 -10.044 1.00 0.00 O ATOM 624 CB GLU A 119 12.142 1.162 -10.637 1.00 0.00 C ATOM 625 CG GLU A 119 13.471 1.912 -10.531 1.00 0.00 C ATOM 626 CD GLU A 119 14.367 1.561 -11.715 1.00 0.00 C ATOM 627 OE1 GLU A 119 13.947 0.762 -12.536 1.00 0.00 O ATOM 628 OE2 GLU A 119 15.460 2.098 -11.785 1.00 0.00 O ATOM 0 H GLU A 119 12.749 0.278 -8.412 1.00 0.00 H new ATOM 0 HA GLU A 119 11.262 2.522 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 119 12.322 0.091 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.604 1.476 -11.532 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.290 2.987 -10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.970 1.653 -9.598 1.00 0.00 H new ATOM 635 N GLU A 120 9.648 -0.332 -9.262 1.00 0.00 N ATOM 636 CA GLU A 120 8.315 -0.902 -9.410 1.00 0.00 C ATOM 637 C GLU A 120 7.378 -0.353 -8.339 1.00 0.00 C ATOM 638 O GLU A 120 6.278 0.102 -8.640 1.00 0.00 O ATOM 639 CB GLU A 120 8.383 -2.429 -9.311 1.00 0.00 C ATOM 640 CG GLU A 120 9.101 -2.990 -10.541 1.00 0.00 C ATOM 641 CD GLU A 120 8.251 -2.771 -11.788 1.00 0.00 C ATOM 642 OE1 GLU A 120 7.093 -3.149 -11.765 1.00 0.00 O ATOM 643 OE2 GLU A 120 8.774 -2.229 -12.748 1.00 0.00 O ATOM 0 H GLU A 120 10.350 -0.971 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 120 7.926 -0.625 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 120 8.911 -2.722 -8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.378 -2.845 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.069 -2.503 -10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 120 9.294 -4.054 -10.405 1.00 0.00 H new ATOM 650 N VAL A 121 7.824 -0.386 -7.088 1.00 0.00 N ATOM 651 CA VAL A 121 7.002 0.119 -5.993 1.00 0.00 C ATOM 652 C VAL A 121 6.725 1.609 -6.189 1.00 0.00 C ATOM 653 O VAL A 121 5.584 2.054 -6.082 1.00 0.00 O ATOM 654 CB VAL A 121 7.705 -0.113 -4.653 1.00 0.00 C ATOM 655 CG1 VAL A 121 6.891 0.531 -3.527 1.00 0.00 C ATOM 656 CG2 VAL A 121 7.822 -1.617 -4.398 1.00 0.00 C ATOM 0 H VAL A 121 8.735 -0.751 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 121 6.054 -0.419 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 121 8.699 0.334 -4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.393 0.365 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.803 1.602 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.897 0.085 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.322 -1.787 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.826 -2.060 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.401 -2.078 -5.198 1.00 0.00 H new ATOM 666 N GLU A 122 7.771 2.378 -6.485 1.00 0.00 N ATOM 667 CA GLU A 122 7.608 3.807 -6.697 1.00 0.00 C ATOM 668 C GLU A 122 6.662 4.061 -7.867 1.00 0.00 C ATOM 669 O GLU A 122 5.832 4.964 -7.816 1.00 0.00 O ATOM 670 CB GLU A 122 8.964 4.456 -6.976 1.00 0.00 C ATOM 671 CG GLU A 122 9.819 4.436 -5.708 1.00 0.00 C ATOM 672 CD GLU A 122 11.211 4.977 -6.014 1.00 0.00 C ATOM 673 OE1 GLU A 122 11.428 5.393 -7.142 1.00 0.00 O ATOM 674 OE2 GLU A 122 12.040 4.970 -5.120 1.00 0.00 O ATOM 0 H GLU A 122 8.728 2.037 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 122 7.183 4.247 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 122 9.474 3.923 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.823 5.482 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 122 9.348 5.038 -4.931 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.891 3.419 -5.323 1.00 0.00 H new ATOM 681 N GLN A 123 6.780 3.249 -8.912 1.00 0.00 N ATOM 682 CA GLN A 123 5.910 3.400 -10.073 1.00 0.00 C ATOM 683 C GLN A 123 4.474 3.022 -9.723 1.00 0.00 C ATOM 684 O GLN A 123 3.532 3.693 -10.141 1.00 0.00 O ATOM 685 CB GLN A 123 6.418 2.531 -11.232 1.00 0.00 C ATOM 686 CG GLN A 123 7.593 3.226 -11.926 1.00 0.00 C ATOM 687 CD GLN A 123 7.090 4.429 -12.718 1.00 0.00 C ATOM 688 OE1 GLN A 123 6.047 4.354 -13.366 1.00 0.00 O ATOM 689 NE2 GLN A 123 7.775 5.539 -12.704 1.00 0.00 N ATOM 0 H GLN A 123 7.459 2.490 -8.980 1.00 0.00 H new ATOM 0 HA GLN A 123 5.926 4.445 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.730 1.556 -10.858 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.614 2.356 -11.947 1.00 0.00 H new ATOM 0 HG2 GLN A 123 8.325 3.547 -11.186 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.099 2.527 -12.592 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.639 5.598 -12.166 1.00 0.00 H new ATOM 0 HE22 GLN A 123 7.446 6.348 -13.231 1.00 0.00 H new ATOM 698 N MET A 124 4.302 1.945 -8.956 1.00 0.00 N ATOM 699 CA MET A 124 2.976 1.513 -8.577 1.00 0.00 C ATOM 700 C MET A 124 2.305 2.549 -7.683 1.00 0.00 C ATOM 701 O MET A 124 1.133 2.870 -7.867 1.00 0.00 O ATOM 702 CB MET A 124 3.070 0.171 -7.847 1.00 0.00 C ATOM 703 CG MET A 124 3.328 -0.952 -8.857 1.00 0.00 C ATOM 704 SD MET A 124 3.403 -2.538 -7.991 1.00 0.00 S ATOM 705 CE MET A 124 4.030 -3.524 -9.372 1.00 0.00 C ATOM 0 H MET A 124 5.061 1.368 -8.593 1.00 0.00 H new ATOM 0 HA MET A 124 2.371 1.399 -9.477 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.873 0.202 -7.111 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.146 -0.023 -7.302 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.536 -0.971 -9.605 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.263 -0.771 -9.387 1.00 0.00 H new ATOM 0 HE1 MET A 124 4.154 -4.559 -9.053 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.323 -3.481 -10.200 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.992 -3.127 -9.695 1.00 0.00 H new ATOM 715 N ILE A 125 3.058 3.086 -6.728 1.00 0.00 N ATOM 716 CA ILE A 125 2.515 4.102 -5.835 1.00 0.00 C ATOM 717 C ILE A 125 2.170 5.358 -6.631 1.00 0.00 C ATOM 718 O ILE A 125 1.097 5.934 -6.480 1.00 0.00 O ATOM 719 CB ILE A 125 3.537 4.430 -4.733 1.00 0.00 C ATOM 720 CG1 ILE A 125 3.665 3.221 -3.787 1.00 0.00 C ATOM 721 CG2 ILE A 125 3.081 5.675 -3.961 1.00 0.00 C ATOM 722 CD1 ILE A 125 4.699 3.499 -2.690 1.00 0.00 C ATOM 0 H ILE A 125 4.032 2.839 -6.554 1.00 0.00 H new ATOM 0 HA ILE A 125 1.607 3.722 -5.367 1.00 0.00 H new ATOM 0 HB ILE A 125 4.511 4.637 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.698 3.003 -3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.958 2.338 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.807 5.905 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.004 6.520 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.108 5.486 -3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.774 2.633 -2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.670 3.694 -3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.389 4.369 -2.110 1.00 0.00 H new ATOM 734 N LYS A 126 3.094 5.764 -7.493 1.00 0.00 N ATOM 735 CA LYS A 126 2.885 6.942 -8.321 1.00 0.00 C ATOM 736 C LYS A 126 1.724 6.726 -9.276 1.00 0.00 C ATOM 737 O LYS A 126 0.903 7.619 -9.485 1.00 0.00 O ATOM 738 CB LYS A 126 4.157 7.248 -9.099 1.00 0.00 C ATOM 739 CG LYS A 126 5.272 7.673 -8.125 1.00 0.00 C ATOM 740 CD LYS A 126 5.172 9.174 -7.832 1.00 0.00 C ATOM 741 CE LYS A 126 6.285 9.585 -6.876 1.00 0.00 C ATOM 742 NZ LYS A 126 7.604 9.404 -7.542 1.00 0.00 N ATOM 0 H LYS A 126 3.990 5.297 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 126 2.643 7.788 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.470 6.370 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 126 3.970 8.042 -9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 126 5.190 7.107 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.247 7.442 -8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 126 5.248 9.741 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 126 4.200 9.405 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 126 6.156 10.625 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 126 6.239 8.984 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 8.324 9.966 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.871 8.399 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.540 9.721 -8.531 1.00 0.00 H new ATOM 756 N GLU A 127 1.661 5.535 -9.851 1.00 0.00 N ATOM 757 CA GLU A 127 0.591 5.201 -10.780 1.00 0.00 C ATOM 758 C GLU A 127 -0.726 5.026 -10.042 1.00 0.00 C ATOM 759 O GLU A 127 -1.793 5.334 -10.569 1.00 0.00 O ATOM 760 CB GLU A 127 0.929 3.918 -11.518 1.00 0.00 C ATOM 761 CG GLU A 127 -0.102 3.676 -12.626 1.00 0.00 C ATOM 762 CD GLU A 127 0.238 2.402 -13.389 1.00 0.00 C ATOM 763 OE1 GLU A 127 1.063 1.647 -12.901 1.00 0.00 O ATOM 764 OE2 GLU A 127 -0.329 2.198 -14.449 1.00 0.00 O ATOM 0 H GLU A 127 2.335 4.786 -9.692 1.00 0.00 H new ATOM 0 HA GLU A 127 0.489 6.019 -11.493 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.929 3.985 -11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.936 3.078 -10.824 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.099 3.595 -12.194 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.119 4.525 -13.310 1.00 0.00 H new ATOM 771 N ALA A 128 -0.642 4.518 -8.822 1.00 0.00 N ATOM 772 CA ALA A 128 -1.847 4.292 -8.017 1.00 0.00 C ATOM 773 C ALA A 128 -2.275 5.571 -7.311 1.00 0.00 C ATOM 774 O ALA A 128 -3.453 5.765 -7.022 1.00 0.00 O ATOM 775 CB ALA A 128 -1.595 3.208 -6.975 1.00 0.00 C ATOM 0 H ALA A 128 0.232 4.255 -8.367 1.00 0.00 H new ATOM 0 HA ALA A 128 -2.642 3.973 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.499 3.052 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.323 2.278 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.782 3.517 -6.318 1.00 0.00 H new ATOM 781 N ASP A 129 -1.315 6.437 -7.024 1.00 0.00 N ATOM 782 CA ASP A 129 -1.619 7.685 -6.333 1.00 0.00 C ATOM 783 C ASP A 129 -2.359 8.654 -7.225 1.00 0.00 C ATOM 784 O ASP A 129 -1.808 9.176 -8.194 1.00 0.00 O ATOM 785 CB ASP A 129 -0.337 8.345 -5.855 1.00 0.00 C ATOM 786 CG ASP A 129 -0.654 9.630 -5.101 1.00 0.00 C ATOM 787 OD1 ASP A 129 -1.509 9.584 -4.233 1.00 0.00 O ATOM 788 OD2 ASP A 129 -0.034 10.638 -5.399 1.00 0.00 O ATOM 0 H ASP A 129 -0.330 6.304 -7.254 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.256 7.436 -5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.213 7.662 -5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.307 8.564 -6.707 1.00 0.00 H new ATOM 793 N LEU A 130 -3.616 8.898 -6.891 1.00 0.00 N ATOM 794 CA LEU A 130 -4.434 9.823 -7.667 1.00 0.00 C ATOM 795 C LEU A 130 -4.299 11.256 -7.158 1.00 0.00 C ATOM 796 O LEU A 130 -4.550 12.210 -7.896 1.00 0.00 O ATOM 797 CB LEU A 130 -5.908 9.403 -7.616 1.00 0.00 C ATOM 798 CG LEU A 130 -6.682 10.044 -8.788 1.00 0.00 C ATOM 799 CD1 LEU A 130 -6.468 9.236 -10.079 1.00 0.00 C ATOM 800 CD2 LEU A 130 -8.178 10.078 -8.453 1.00 0.00 C ATOM 0 H LEU A 130 -4.091 8.473 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 130 -4.077 9.788 -8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -5.987 8.317 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -6.349 9.709 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 130 -6.312 11.058 -8.941 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -7.020 9.701 -10.895 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -5.406 9.216 -10.324 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -6.826 8.217 -9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -8.726 10.530 -9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -8.538 9.062 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -8.335 10.666 -7.549 1.00 0.00 H new ATOM 812 N ASP A 131 -3.929 11.407 -5.888 1.00 0.00 N ATOM 813 CA ASP A 131 -3.801 12.736 -5.295 1.00 0.00 C ATOM 814 C ASP A 131 -2.457 13.371 -5.619 1.00 0.00 C ATOM 815 O ASP A 131 -2.218 14.528 -5.278 1.00 0.00 O ATOM 816 CB ASP A 131 -3.950 12.645 -3.777 1.00 0.00 C ATOM 817 CG ASP A 131 -5.254 11.943 -3.416 1.00 0.00 C ATOM 818 OD1 ASP A 131 -6.275 12.311 -3.973 1.00 0.00 O ATOM 819 OD2 ASP A 131 -5.210 11.046 -2.589 1.00 0.00 O ATOM 0 H ASP A 131 -3.715 10.635 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.589 13.359 -5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.106 12.100 -3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.934 13.644 -3.342 1.00 0.00 H new ATOM 824 N GLY A 132 -1.578 12.630 -6.283 1.00 0.00 N ATOM 825 CA GLY A 132 -0.272 13.171 -6.632 1.00 0.00 C ATOM 826 C GLY A 132 0.581 13.412 -5.389 1.00 0.00 C ATOM 827 O GLY A 132 1.759 13.745 -5.495 1.00 0.00 O ATOM 0 H GLY A 132 -1.742 11.670 -6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.243 12.481 -7.300 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -0.398 14.107 -7.176 1.00 0.00 H new ATOM 831 N ASP A 133 -0.013 13.245 -4.207 1.00 0.00 N ATOM 832 CA ASP A 133 0.725 13.464 -2.965 1.00 0.00 C ATOM 833 C ASP A 133 1.838 12.431 -2.826 1.00 0.00 C ATOM 834 O ASP A 133 2.734 12.574 -1.994 1.00 0.00 O ATOM 835 CB ASP A 133 -0.220 13.362 -1.767 1.00 0.00 C ATOM 836 CG ASP A 133 -0.993 12.051 -1.832 1.00 0.00 C ATOM 837 OD1 ASP A 133 -0.857 11.360 -2.827 1.00 0.00 O ATOM 838 OD2 ASP A 133 -1.707 11.758 -0.888 1.00 0.00 O ATOM 0 H ASP A 133 -0.986 12.964 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 133 1.164 14.461 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.348 13.415 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -0.912 14.204 -1.765 1.00 0.00 H new ATOM 843 N GLY A 134 1.779 11.392 -3.652 1.00 0.00 N ATOM 844 CA GLY A 134 2.791 10.343 -3.622 1.00 0.00 C ATOM 845 C GLY A 134 2.511 9.368 -2.499 1.00 0.00 C ATOM 846 O GLY A 134 3.362 8.558 -2.134 1.00 0.00 O ATOM 0 H GLY A 134 1.045 11.254 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.804 9.815 -4.575 1.00 0.00 H new ATOM 0 HA3 GLY A 134 3.778 10.786 -3.489 1.00 0.00 H new ATOM 850 N GLN A 135 1.318 9.469 -1.932 1.00 0.00 N ATOM 851 CA GLN A 135 0.916 8.615 -0.823 1.00 0.00 C ATOM 852 C GLN A 135 -0.187 7.663 -1.258 1.00 0.00 C ATOM 853 O GLN A 135 -1.076 8.037 -2.017 1.00 0.00 O ATOM 854 CB GLN A 135 0.408 9.517 0.322 1.00 0.00 C ATOM 855 CG GLN A 135 1.453 9.612 1.429 1.00 0.00 C ATOM 856 CD GLN A 135 1.034 10.649 2.458 1.00 0.00 C ATOM 857 OE1 GLN A 135 -0.012 11.281 2.314 1.00 0.00 O ATOM 858 NE2 GLN A 135 1.791 10.863 3.499 1.00 0.00 N ATOM 0 H GLN A 135 0.606 10.139 -2.224 1.00 0.00 H new ATOM 0 HA GLN A 135 1.766 8.020 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 135 0.185 10.512 -0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.522 9.115 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.574 8.641 1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 135 2.420 9.881 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 135 2.658 10.338 3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.516 11.555 4.196 1.00 0.00 H new ATOM 867 N VAL A 136 -0.140 6.439 -0.751 1.00 0.00 N ATOM 868 CA VAL A 136 -1.170 5.461 -1.079 1.00 0.00 C ATOM 869 C VAL A 136 -2.286 5.577 -0.048 1.00 0.00 C ATOM 870 O VAL A 136 -2.131 5.136 1.090 1.00 0.00 O ATOM 871 CB VAL A 136 -0.575 4.051 -1.060 1.00 0.00 C ATOM 872 CG1 VAL A 136 -1.675 3.021 -1.315 1.00 0.00 C ATOM 873 CG2 VAL A 136 0.490 3.929 -2.149 1.00 0.00 C ATOM 0 H VAL A 136 0.588 6.102 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 136 -1.566 5.651 -2.077 1.00 0.00 H new ATOM 0 HB VAL A 136 -0.125 3.868 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -1.246 2.019 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -2.436 3.101 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -2.129 3.207 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.912 2.924 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.038 4.118 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.280 4.658 -1.968 1.00 0.00 H new ATOM 883 N ASN A 137 -3.415 6.175 -0.439 1.00 0.00 N ATOM 884 CA ASN A 137 -4.544 6.336 0.484 1.00 0.00 C ATOM 885 C ASN A 137 -5.559 5.217 0.276 1.00 0.00 C ATOM 886 O ASN A 137 -5.430 4.415 -0.648 1.00 0.00 O ATOM 887 CB ASN A 137 -5.216 7.696 0.252 1.00 0.00 C ATOM 888 CG ASN A 137 -6.266 7.959 1.330 1.00 0.00 C ATOM 889 OD1 ASN A 137 -7.462 7.809 1.082 1.00 0.00 O ATOM 890 ND2 ASN A 137 -5.889 8.350 2.518 1.00 0.00 N ATOM 0 H ASN A 137 -3.572 6.551 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 137 -4.171 6.288 1.507 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -4.466 8.487 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -5.683 7.715 -0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -6.586 8.531 3.240 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -4.898 8.474 2.723 1.00 0.00 H new ATOM 897 N TYR A 138 -6.556 5.149 1.149 1.00 0.00 N ATOM 898 CA TYR A 138 -7.564 4.097 1.051 1.00 0.00 C ATOM 899 C TYR A 138 -8.181 4.063 -0.345 1.00 0.00 C ATOM 900 O TYR A 138 -8.356 2.990 -0.917 1.00 0.00 O ATOM 901 CB TYR A 138 -8.666 4.332 2.081 1.00 0.00 C ATOM 902 CG TYR A 138 -9.579 3.128 2.119 1.00 0.00 C ATOM 903 CD1 TYR A 138 -10.560 2.961 1.139 1.00 0.00 C ATOM 904 CD2 TYR A 138 -9.439 2.178 3.139 1.00 0.00 C ATOM 905 CE1 TYR A 138 -11.404 1.847 1.174 1.00 0.00 C ATOM 906 CE2 TYR A 138 -10.285 1.065 3.177 1.00 0.00 C ATOM 907 CZ TYR A 138 -11.268 0.898 2.194 1.00 0.00 C ATOM 908 OH TYR A 138 -12.103 -0.201 2.231 1.00 0.00 O ATOM 0 H TYR A 138 -6.689 5.799 1.923 1.00 0.00 H new ATOM 0 HA TYR A 138 -7.076 3.142 1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.229 4.503 3.065 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -9.235 5.226 1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -10.667 3.694 0.353 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -8.679 2.305 3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -12.161 1.719 0.414 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -10.180 0.334 3.965 1.00 0.00 H new ATOM 0 HH TYR A 138 -12.728 -0.162 1.477 1.00 0.00 H new ATOM 918 N GLU A 139 -8.518 5.229 -0.892 1.00 0.00 N ATOM 919 CA GLU A 139 -9.127 5.285 -2.218 1.00 0.00 C ATOM 920 C GLU A 139 -8.196 4.693 -3.271 1.00 0.00 C ATOM 921 O GLU A 139 -8.618 3.914 -4.114 1.00 0.00 O ATOM 922 CB GLU A 139 -9.461 6.737 -2.576 1.00 0.00 C ATOM 923 CG GLU A 139 -10.386 6.781 -3.798 1.00 0.00 C ATOM 924 CD GLU A 139 -9.593 6.460 -5.059 1.00 0.00 C ATOM 925 OE1 GLU A 139 -8.464 6.912 -5.155 1.00 0.00 O ATOM 926 OE2 GLU A 139 -10.125 5.763 -5.906 1.00 0.00 O ATOM 0 H GLU A 139 -8.382 6.136 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 139 -10.043 4.695 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.942 7.227 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.544 7.288 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -11.198 6.065 -3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.841 7.767 -3.885 1.00 0.00 H new ATOM 933 N GLU A 140 -6.933 5.063 -3.235 1.00 0.00 N ATOM 934 CA GLU A 140 -5.994 4.525 -4.199 1.00 0.00 C ATOM 935 C GLU A 140 -5.713 3.062 -3.887 1.00 0.00 C ATOM 936 O GLU A 140 -5.568 2.253 -4.792 1.00 0.00 O ATOM 937 CB GLU A 140 -4.705 5.332 -4.177 1.00 0.00 C ATOM 938 CG GLU A 140 -5.018 6.813 -4.509 1.00 0.00 C ATOM 939 CD GLU A 140 -4.070 7.753 -3.769 1.00 0.00 C ATOM 940 OE1 GLU A 140 -3.674 7.423 -2.661 1.00 0.00 O ATOM 941 OE2 GLU A 140 -3.767 8.800 -4.320 1.00 0.00 O ATOM 0 H GLU A 140 -6.538 5.721 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 140 -6.427 4.592 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.234 5.259 -3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.998 4.927 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -4.930 6.975 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -6.048 7.041 -4.235 1.00 0.00 H new ATOM 948 N PHE A 141 -5.634 2.729 -2.600 1.00 0.00 N ATOM 949 CA PHE A 141 -5.367 1.353 -2.219 1.00 0.00 C ATOM 950 C PHE A 141 -6.490 0.446 -2.697 1.00 0.00 C ATOM 951 O PHE A 141 -6.251 -0.540 -3.393 1.00 0.00 O ATOM 952 CB PHE A 141 -5.235 1.250 -0.693 1.00 0.00 C ATOM 953 CG PHE A 141 -4.802 -0.145 -0.306 1.00 0.00 C ATOM 954 CD1 PHE A 141 -3.538 -0.614 -0.689 1.00 0.00 C ATOM 955 CD2 PHE A 141 -5.657 -0.971 0.440 1.00 0.00 C ATOM 956 CE1 PHE A 141 -3.131 -1.905 -0.328 1.00 0.00 C ATOM 957 CE2 PHE A 141 -5.248 -2.259 0.799 1.00 0.00 C ATOM 958 CZ PHE A 141 -3.985 -2.727 0.416 1.00 0.00 C ATOM 0 H PHE A 141 -5.749 3.380 -1.823 1.00 0.00 H new ATOM 0 HA PHE A 141 -4.434 1.036 -2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.509 1.979 -0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -6.188 1.489 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.878 0.020 -1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.631 -0.612 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.157 -2.266 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.907 -2.894 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 141 -3.670 -3.722 0.695 1.00 0.00 H new ATOM 968 N VAL A 142 -7.720 0.787 -2.320 1.00 0.00 N ATOM 969 CA VAL A 142 -8.867 -0.020 -2.712 1.00 0.00 C ATOM 970 C VAL A 142 -8.960 -0.073 -4.226 1.00 0.00 C ATOM 971 O VAL A 142 -9.188 -1.128 -4.817 1.00 0.00 O ATOM 972 CB VAL A 142 -10.151 0.569 -2.119 1.00 0.00 C ATOM 973 CG1 VAL A 142 -10.469 1.897 -2.797 1.00 0.00 C ATOM 974 CG2 VAL A 142 -11.310 -0.401 -2.331 1.00 0.00 C ATOM 0 H VAL A 142 -7.944 1.604 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 142 -8.742 -1.033 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 142 -10.008 0.733 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -11.383 2.313 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.646 2.593 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.606 1.736 -3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -12.221 0.022 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -11.451 -0.572 -3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -11.087 -1.348 -1.839 1.00 0.00 H new ATOM 984 N LYS A 143 -8.773 1.079 -4.853 1.00 0.00 N ATOM 985 CA LYS A 143 -8.834 1.159 -6.301 1.00 0.00 C ATOM 986 C LYS A 143 -7.729 0.313 -6.918 1.00 0.00 C ATOM 987 O LYS A 143 -7.984 -0.506 -7.798 1.00 0.00 O ATOM 988 CB LYS A 143 -8.670 2.623 -6.716 1.00 0.00 C ATOM 989 CG LYS A 143 -8.920 2.786 -8.222 1.00 0.00 C ATOM 990 CD LYS A 143 -10.419 2.974 -8.480 1.00 0.00 C ATOM 991 CE LYS A 143 -10.652 3.201 -9.969 1.00 0.00 C ATOM 992 NZ LYS A 143 -10.035 4.493 -10.377 1.00 0.00 N ATOM 0 H LYS A 143 -8.579 1.964 -4.384 1.00 0.00 H new ATOM 0 HA LYS A 143 -9.793 0.780 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -9.367 3.246 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -7.666 2.967 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -8.366 3.644 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -8.556 1.909 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -10.970 2.095 -8.144 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -10.794 3.823 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -10.220 2.382 -10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -11.721 3.213 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -10.475 4.824 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -10.184 5.200 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -9.015 4.358 -10.528 1.00 0.00 H new ATOM 1006 N MET A 144 -6.511 0.497 -6.429 1.00 0.00 N ATOM 1007 CA MET A 144 -5.371 -0.276 -6.923 1.00 0.00 C ATOM 1008 C MET A 144 -5.577 -1.734 -6.587 1.00 0.00 C ATOM 1009 O MET A 144 -5.241 -2.627 -7.360 1.00 0.00 O ATOM 1010 CB MET A 144 -4.080 0.203 -6.271 1.00 0.00 C ATOM 1011 CG MET A 144 -2.852 -0.317 -7.041 1.00 0.00 C ATOM 1012 SD MET A 144 -2.548 -2.046 -6.606 1.00 0.00 S ATOM 1013 CE MET A 144 -2.008 -1.777 -4.895 1.00 0.00 C ATOM 0 H MET A 144 -6.283 1.169 -5.696 1.00 0.00 H new ATOM 0 HA MET A 144 -5.297 -0.142 -8.002 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.063 1.293 -6.244 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.040 -0.142 -5.238 1.00 0.00 H new ATOM 0 HG2 MET A 144 -3.018 -0.226 -8.114 1.00 0.00 H new ATOM 0 HG3 MET A 144 -1.977 0.288 -6.801 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.079 -2.319 -4.717 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.845 -0.712 -4.728 1.00 0.00 H new ATOM 0 HE3 MET A 144 -2.775 -2.138 -4.210 1.00 0.00 H new ATOM 1023 N MET A 145 -6.135 -1.960 -5.413 1.00 0.00 N ATOM 1024 CA MET A 145 -6.386 -3.320 -4.963 1.00 0.00 C ATOM 1025 C MET A 145 -7.327 -4.006 -5.940 1.00 0.00 C ATOM 1026 O MET A 145 -7.203 -5.198 -6.188 1.00 0.00 O ATOM 1027 CB MET A 145 -6.990 -3.334 -3.554 1.00 0.00 C ATOM 1028 CG MET A 145 -7.169 -4.781 -3.074 1.00 0.00 C ATOM 1029 SD MET A 145 -5.550 -5.587 -2.938 1.00 0.00 S ATOM 1030 CE MET A 145 -5.275 -5.275 -1.178 1.00 0.00 C ATOM 0 H MET A 145 -6.421 -1.231 -4.759 1.00 0.00 H new ATOM 0 HA MET A 145 -5.437 -3.856 -4.926 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.342 -2.792 -2.866 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.952 -2.821 -3.557 1.00 0.00 H new ATOM 0 HG2 MET A 145 -7.674 -4.794 -2.108 1.00 0.00 H new ATOM 0 HG3 MET A 145 -7.801 -5.330 -3.772 1.00 0.00 H new ATOM 0 HE1 MET A 145 -4.217 -5.082 -1.004 1.00 0.00 H new ATOM 0 HE2 MET A 145 -5.858 -4.408 -0.867 1.00 0.00 H new ATOM 0 HE3 MET A 145 -5.584 -6.147 -0.601 1.00 0.00 H new ATOM 1040 N MET A 146 -8.266 -3.253 -6.495 1.00 0.00 N ATOM 1041 CA MET A 146 -9.204 -3.814 -7.459 1.00 0.00 C ATOM 1042 C MET A 146 -8.513 -4.035 -8.803 1.00 0.00 C ATOM 1043 O MET A 146 -8.690 -5.075 -9.435 1.00 0.00 O ATOM 1044 CB MET A 146 -10.403 -2.874 -7.633 1.00 0.00 C ATOM 1045 CG MET A 146 -11.370 -3.044 -6.458 1.00 0.00 C ATOM 1046 SD MET A 146 -12.136 -4.685 -6.525 1.00 0.00 S ATOM 1047 CE MET A 146 -13.587 -4.218 -7.498 1.00 0.00 C ATOM 0 H MET A 146 -8.399 -2.261 -6.297 1.00 0.00 H new ATOM 0 HA MET A 146 -9.558 -4.775 -7.085 1.00 0.00 H new ATOM 0 HB2 MET A 146 -10.061 -1.840 -7.688 1.00 0.00 H new ATOM 0 HB3 MET A 146 -10.914 -3.091 -8.571 1.00 0.00 H new ATOM 0 HG2 MET A 146 -10.837 -2.920 -5.516 1.00 0.00 H new ATOM 0 HG3 MET A 146 -12.139 -2.272 -6.493 1.00 0.00 H new ATOM 0 HE1 MET A 146 -14.213 -5.095 -7.662 1.00 0.00 H new ATOM 0 HE2 MET A 146 -14.158 -3.461 -6.960 1.00 0.00 H new ATOM 0 HE3 MET A 146 -13.267 -3.816 -8.459 1.00 0.00 H new ATOM 1057 N THR A 147 -7.737 -3.044 -9.235 1.00 0.00 N ATOM 1058 CA THR A 147 -7.039 -3.136 -10.512 1.00 0.00 C ATOM 1059 C THR A 147 -6.362 -4.492 -10.658 1.00 0.00 C ATOM 1060 O THR A 147 -6.014 -4.909 -11.760 1.00 0.00 O ATOM 1061 CB THR A 147 -5.972 -2.042 -10.593 1.00 0.00 C ATOM 1062 OG1 THR A 147 -6.561 -0.783 -10.282 1.00 0.00 O ATOM 1063 CG2 THR A 147 -5.389 -1.985 -12.009 1.00 0.00 C ATOM 0 H THR A 147 -7.577 -2.176 -8.724 1.00 0.00 H new ATOM 0 HA THR A 147 -7.769 -3.012 -11.312 1.00 0.00 H new ATOM 0 HB THR A 147 -5.177 -2.267 -9.882 1.00 0.00 H new ATOM 0 HG1 THR A 147 -5.879 -0.081 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 147 -4.630 -1.204 -12.059 1.00 0.00 H new ATOM 0 HG22 THR A 147 -4.937 -2.946 -12.255 1.00 0.00 H new ATOM 0 HG23 THR A 147 -6.184 -1.764 -12.721 1.00 0.00 H new