USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 988 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 128 CYS SG : rot -85:sc= -0.782 USER MOD Set 1.2: A 129 GLN :FLIP amide:sc= -5.75! C(o=-9.2!,f=-6.5!) USER MOD Set 2.1: A 37 SER OG : rot -16:sc= 0.441! USER MOD Set 2.2: A 117 GLN : amide:sc= 0 K(o=0.44,f=-2.1!) USER MOD Set 3.1: A 19 CYS SG : rot 47:sc= 0.0888 USER MOD Set 3.2: A 106 TYR OH : rot 170:sc= 0.301 USER MOD Set 4.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 104 LYS NZ :NH3+ -102:sc= -0.579 (180deg=-1.56!) USER MOD Set 5.1: A 86 ASN :FLIP amide:sc= -4.73! C(o=-9.6!,f=-4.7!) USER MOD Set 5.2: A 95 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 44 THR OG1 : rot -98:sc= 0.0835 USER MOD Set 6.2: A 47 LYS NZ :NH3+ -149:sc= 1.87 (180deg=0) USER MOD Set 6.3: A 98 TYR OH : rot 165:sc= -1.02 USER MOD Single : A 11 CYS SG : rot -60:sc= -12.5! USER MOD Single : A 35 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.45) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -2.14 F(o=-4.8!,f=-2.1) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -2.72! C(o=-7.4!,f=-2.7!) USER MOD Single : A 59 THR OG1 : rot -70:sc= -3.16! USER MOD Single : A 64 THR OG1 : rot 72:sc= -3.57! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 74 GLN :FLIP amide:sc= -8.72! C(o=-11!,f=-8.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 91:sc= 0.0415 USER MOD Single : A 114 HIS :FLIP no HD1:sc= -2.68! C(o=-4.3!,f=-2.7!) USER MOD Single : A 116 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-2.4!) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 MET CE :methyl -122:sc= -5.9! (180deg=-9.01!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.0127 F(o=-1.8!,f=-0.013) USER MOD Single : A 144 HIS : no HE2:sc= -10.6! C(o=-11!,f=-17!) USER MOD Single : A 145 GLN : amide:sc=-0.00673 K(o=-0.0067,f=-1.7!) USER MOD Single : A 148 CYS SG : rot 73:sc= 0.00597 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ARG A 9 11.675 -3.635 -6.616 1.00 0.00 N ATOM 106 CA ARG A 9 10.936 -2.500 -7.219 1.00 0.00 C ATOM 107 C ARG A 9 10.012 -3.054 -8.296 1.00 0.00 C ATOM 108 O ARG A 9 10.452 -3.660 -9.254 1.00 0.00 O ATOM 109 CB ARG A 9 11.920 -1.498 -7.826 1.00 0.00 C ATOM 110 CG ARG A 9 11.339 -0.915 -9.117 1.00 0.00 C ATOM 111 CD ARG A 9 12.198 0.265 -9.573 1.00 0.00 C ATOM 112 NE ARG A 9 13.522 -0.235 -10.040 1.00 0.00 N ATOM 113 CZ ARG A 9 14.331 0.564 -10.683 1.00 0.00 C ATOM 114 NH1 ARG A 9 13.979 1.798 -10.920 1.00 0.00 N ATOM 115 NH2 ARG A 9 15.491 0.126 -11.090 1.00 0.00 N ATOM 0 HA ARG A 9 10.352 -1.982 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.123 -0.698 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.871 -1.989 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.310 -1.679 -9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.312 -0.589 -8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 9 11.697 0.804 -10.377 1.00 0.00 H new ATOM 0 HD3 ARG A 9 12.332 0.969 -8.752 1.00 0.00 H new ATOM 0 HE ARG A 9 13.796 -1.200 -9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.072 2.139 -10.603 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.611 2.421 -11.422 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.765 -0.839 -10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.124 0.749 -11.592 1.00 0.00 H new ATOM 129 N ALA A 10 8.737 -2.861 -8.147 1.00 0.00 N ATOM 130 CA ALA A 10 7.785 -3.384 -9.158 1.00 0.00 C ATOM 131 C ALA A 10 7.124 -2.210 -9.865 1.00 0.00 C ATOM 132 O ALA A 10 7.369 -1.062 -9.555 1.00 0.00 O ATOM 133 CB ALA A 10 6.717 -4.237 -8.469 1.00 0.00 C ATOM 0 H ALA A 10 8.311 -2.362 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 10 8.318 -4.000 -9.882 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.020 -4.619 -9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.194 -5.072 -7.956 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.176 -3.628 -7.745 1.00 0.00 H new ATOM 139 N CYS A 11 6.297 -2.483 -10.823 1.00 0.00 N ATOM 140 CA CYS A 11 5.630 -1.380 -11.548 1.00 0.00 C ATOM 141 C CYS A 11 4.203 -1.804 -11.884 1.00 0.00 C ATOM 142 O CYS A 11 3.946 -2.949 -12.199 1.00 0.00 O ATOM 143 CB CYS A 11 6.418 -1.074 -12.819 1.00 0.00 C ATOM 144 SG CYS A 11 8.036 -1.881 -12.729 1.00 0.00 S ATOM 0 H CYS A 11 6.053 -3.423 -11.136 1.00 0.00 H new ATOM 0 HA CYS A 11 5.595 -0.481 -10.933 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.871 -1.427 -13.693 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.542 0.003 -12.933 1.00 0.00 H new ATOM 0 HG CYS A 11 8.687 -1.433 -11.697 1.00 0.00 H new ATOM 150 N GLY A 12 3.265 -0.902 -11.797 1.00 0.00 N ATOM 151 CA GLY A 12 1.853 -1.274 -12.093 1.00 0.00 C ATOM 152 C GLY A 12 1.178 -0.185 -12.919 1.00 0.00 C ATOM 153 O GLY A 12 1.728 0.876 -13.139 1.00 0.00 O ATOM 0 H GLY A 12 3.414 0.072 -11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.825 -2.220 -12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.307 -1.424 -11.162 1.00 0.00 H new ATOM 157 N LEU A 13 -0.020 -0.439 -13.370 1.00 0.00 N ATOM 158 CA LEU A 13 -0.745 0.580 -14.176 1.00 0.00 C ATOM 159 C LEU A 13 -2.038 0.983 -13.485 1.00 0.00 C ATOM 160 O LEU A 13 -2.895 0.161 -13.224 1.00 0.00 O ATOM 161 CB LEU A 13 -1.146 0.002 -15.535 1.00 0.00 C ATOM 162 CG LEU A 13 0.062 -0.198 -16.443 1.00 0.00 C ATOM 163 CD1 LEU A 13 -0.448 -0.547 -17.839 1.00 0.00 C ATOM 164 CD2 LEU A 13 0.870 1.092 -16.524 1.00 0.00 C ATOM 0 H LEU A 13 -0.528 -1.310 -13.214 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.076 1.433 -14.292 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.653 -0.952 -15.389 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.858 0.671 -16.019 1.00 0.00 H new ATOM 0 HG LEU A 13 0.695 -0.993 -16.048 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.399 -0.695 -18.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.039 -1.462 -17.792 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.069 0.267 -18.214 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.732 0.941 -17.174 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.245 1.888 -16.928 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.212 1.370 -15.527 1.00 0.00 H new ATOM 176 N ILE A 14 -2.230 2.246 -13.258 1.00 0.00 N ATOM 177 CA ILE A 14 -3.519 2.673 -12.675 1.00 0.00 C ATOM 178 C ILE A 14 -4.532 2.544 -13.803 1.00 0.00 C ATOM 179 O ILE A 14 -4.737 3.463 -14.569 1.00 0.00 O ATOM 180 CB ILE A 14 -3.427 4.132 -12.227 1.00 0.00 C ATOM 181 CG1 ILE A 14 -2.462 4.249 -11.048 1.00 0.00 C ATOM 182 CG2 ILE A 14 -4.809 4.650 -11.828 1.00 0.00 C ATOM 183 CD1 ILE A 14 -2.983 3.433 -9.863 1.00 0.00 C ATOM 0 H ILE A 14 -1.560 2.991 -13.448 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.794 2.075 -11.806 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.055 4.735 -13.055 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.474 3.893 -11.339 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.352 5.294 -10.760 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.730 5.690 -11.511 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.484 4.581 -12.681 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.200 4.049 -11.007 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.289 3.522 -9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.961 3.809 -9.564 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.070 2.386 -10.153 1.00 0.00 H new ATOM 195 N ILE A 15 -5.139 1.400 -13.951 1.00 0.00 N ATOM 196 CA ILE A 15 -6.094 1.238 -15.074 1.00 0.00 C ATOM 197 C ILE A 15 -7.449 1.780 -14.667 1.00 0.00 C ATOM 198 O ILE A 15 -7.930 1.553 -13.575 1.00 0.00 O ATOM 199 CB ILE A 15 -6.238 -0.231 -15.463 1.00 0.00 C ATOM 200 CG1 ILE A 15 -4.862 -0.838 -15.746 1.00 0.00 C ATOM 201 CG2 ILE A 15 -7.090 -0.329 -16.731 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.052 -2.257 -16.282 1.00 0.00 C ATOM 0 H ILE A 15 -5.016 0.584 -13.352 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.710 1.789 -15.932 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.710 -0.773 -14.644 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.323 -0.229 -16.472 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.262 -0.855 -14.836 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.198 -1.375 -17.017 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.074 0.099 -16.542 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.605 0.219 -17.539 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.078 -2.702 -16.488 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.576 -2.859 -15.540 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.637 -2.224 -17.201 1.00 0.00 H new ATOM 214 N PHE A 16 -8.070 2.493 -15.551 1.00 0.00 N ATOM 215 CA PHE A 16 -9.400 3.058 -15.243 1.00 0.00 C ATOM 216 C PHE A 16 -10.163 3.264 -16.552 1.00 0.00 C ATOM 217 O PHE A 16 -9.576 3.402 -17.606 1.00 0.00 O ATOM 218 CB PHE A 16 -9.231 4.407 -14.548 1.00 0.00 C ATOM 219 CG PHE A 16 -8.705 5.409 -15.541 1.00 0.00 C ATOM 220 CD1 PHE A 16 -9.598 6.094 -16.368 1.00 0.00 C ATOM 221 CD2 PHE A 16 -7.331 5.647 -15.640 1.00 0.00 C ATOM 222 CE1 PHE A 16 -9.120 7.023 -17.293 1.00 0.00 C ATOM 223 CE2 PHE A 16 -6.849 6.577 -16.565 1.00 0.00 C ATOM 224 CZ PHE A 16 -7.747 7.268 -17.394 1.00 0.00 C ATOM 0 H PHE A 16 -7.711 2.710 -16.481 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.948 2.378 -14.591 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -10.185 4.744 -14.143 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.543 4.314 -13.707 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -10.659 5.905 -16.292 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.643 5.113 -15.002 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.811 7.553 -17.931 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.788 6.764 -16.642 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.378 7.988 -18.109 1.00 0.00 H new ATOM 234 N ARG A 17 -11.457 3.309 -16.487 1.00 0.00 N ATOM 235 CA ARG A 17 -12.260 3.534 -17.722 1.00 0.00 C ATOM 236 C ARG A 17 -13.184 4.729 -17.495 1.00 0.00 C ATOM 237 O ARG A 17 -13.961 4.754 -16.562 1.00 0.00 O ATOM 238 CB ARG A 17 -13.097 2.285 -18.030 1.00 0.00 C ATOM 239 CG ARG A 17 -14.083 2.576 -19.174 1.00 0.00 C ATOM 240 CD ARG A 17 -13.349 2.619 -20.518 1.00 0.00 C ATOM 241 NE ARG A 17 -14.281 3.108 -21.573 1.00 0.00 N ATOM 242 CZ ARG A 17 -14.236 4.351 -21.965 1.00 0.00 C ATOM 243 NH1 ARG A 17 -13.377 5.178 -21.434 1.00 0.00 N ATOM 244 NH2 ARG A 17 -15.053 4.771 -22.893 1.00 0.00 N ATOM 0 H ARG A 17 -12.000 3.200 -15.631 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.597 3.732 -18.564 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.442 1.458 -18.306 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.643 1.975 -17.139 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.856 1.808 -19.200 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.585 3.527 -18.996 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.481 3.275 -20.451 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.979 1.627 -20.775 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.957 2.468 -21.990 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.737 4.853 -20.709 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.346 6.149 -21.744 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.725 4.127 -23.310 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.019 5.743 -23.201 1.00 0.00 H new ATOM 258 N ARG A 18 -13.111 5.717 -18.342 1.00 0.00 N ATOM 259 CA ARG A 18 -13.993 6.899 -18.167 1.00 0.00 C ATOM 260 C ARG A 18 -15.176 6.791 -19.126 1.00 0.00 C ATOM 261 O ARG A 18 -15.013 6.579 -20.310 1.00 0.00 O ATOM 262 CB ARG A 18 -13.200 8.180 -18.430 1.00 0.00 C ATOM 263 CG ARG A 18 -12.765 8.241 -19.890 1.00 0.00 C ATOM 264 CD ARG A 18 -11.664 9.294 -20.029 1.00 0.00 C ATOM 265 NE ARG A 18 -11.415 9.578 -21.469 1.00 0.00 N ATOM 266 CZ ARG A 18 -10.894 10.721 -21.824 1.00 0.00 C ATOM 267 NH1 ARG A 18 -10.581 11.604 -20.915 1.00 0.00 N ATOM 268 NH2 ARG A 18 -10.684 10.980 -23.086 1.00 0.00 N ATOM 0 H ARG A 18 -12.481 5.756 -19.144 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.369 6.931 -17.144 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.810 9.050 -18.188 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.325 8.214 -17.781 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.400 7.267 -20.217 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.613 8.494 -20.527 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.956 10.209 -19.514 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.748 8.940 -19.555 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.651 8.882 -22.176 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.744 11.400 -19.929 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.174 12.498 -21.191 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.927 10.289 -23.796 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.277 11.873 -23.362 1.00 0.00 H new ATOM 282 N CYS A 19 -16.370 6.921 -18.618 1.00 0.00 N ATOM 283 CA CYS A 19 -17.566 6.810 -19.494 1.00 0.00 C ATOM 284 C CYS A 19 -17.937 8.183 -20.046 1.00 0.00 C ATOM 285 O CYS A 19 -17.290 9.175 -19.777 1.00 0.00 O ATOM 286 CB CYS A 19 -18.744 6.252 -18.695 1.00 0.00 C ATOM 287 SG CYS A 19 -18.132 5.091 -17.447 1.00 0.00 S ATOM 0 H CYS A 19 -16.568 7.099 -17.633 1.00 0.00 H new ATOM 0 HA CYS A 19 -17.335 6.138 -20.321 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -19.289 7.065 -18.215 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.444 5.749 -19.362 1.00 0.00 H new ATOM 0 HG CYS A 19 -17.125 5.621 -16.818 1.00 0.00 H new ATOM 424 N ALA A 28 -18.259 8.424 -14.116 1.00 0.00 N ATOM 425 CA ALA A 28 -17.816 7.968 -15.464 1.00 0.00 C ATOM 426 C ALA A 28 -16.454 7.282 -15.354 1.00 0.00 C ATOM 427 O ALA A 28 -16.124 6.411 -16.134 1.00 0.00 O ATOM 428 CB ALA A 28 -17.698 9.176 -16.396 1.00 0.00 C ATOM 0 HA ALA A 28 -18.546 7.264 -15.864 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.374 8.844 -17.382 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.667 9.668 -16.479 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.969 9.878 -15.992 1.00 0.00 H new ATOM 434 N ILE A 29 -15.657 7.673 -14.397 1.00 0.00 N ATOM 435 CA ILE A 29 -14.308 7.051 -14.251 1.00 0.00 C ATOM 436 C ILE A 29 -14.333 5.982 -13.160 1.00 0.00 C ATOM 437 O ILE A 29 -14.827 6.194 -12.070 1.00 0.00 O ATOM 438 CB ILE A 29 -13.290 8.134 -13.886 1.00 0.00 C ATOM 439 CG1 ILE A 29 -13.292 9.212 -14.980 1.00 0.00 C ATOM 440 CG2 ILE A 29 -11.897 7.510 -13.755 1.00 0.00 C ATOM 441 CD1 ILE A 29 -11.871 9.463 -15.490 1.00 0.00 C ATOM 0 H ILE A 29 -15.880 8.394 -13.711 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.027 6.583 -15.194 1.00 0.00 H new ATOM 0 HB ILE A 29 -13.558 8.589 -12.932 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.931 8.899 -15.806 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.712 10.137 -14.586 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.175 8.284 -13.495 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.911 6.750 -12.974 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.613 7.052 -14.702 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.893 10.230 -16.264 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.242 9.798 -14.665 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.465 8.540 -15.904 1.00 0.00 H new ATOM 453 N GLU A 30 -13.798 4.829 -13.455 1.00 0.00 N ATOM 454 CA GLU A 30 -13.780 3.730 -12.454 1.00 0.00 C ATOM 455 C GLU A 30 -12.391 3.093 -12.433 1.00 0.00 C ATOM 456 O GLU A 30 -11.647 3.187 -13.387 1.00 0.00 O ATOM 457 CB GLU A 30 -14.820 2.677 -12.841 1.00 0.00 C ATOM 458 CG GLU A 30 -16.209 3.321 -12.881 1.00 0.00 C ATOM 459 CD GLU A 30 -17.261 2.254 -13.196 1.00 0.00 C ATOM 460 OE1 GLU A 30 -18.435 2.576 -13.140 1.00 0.00 O ATOM 461 OE2 GLU A 30 -16.872 1.136 -13.487 1.00 0.00 O ATOM 0 H GLU A 30 -13.370 4.602 -14.353 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.015 4.126 -11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.577 2.251 -13.814 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.808 1.857 -12.122 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.430 3.792 -11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.235 4.106 -13.637 1.00 0.00 H new ATOM 469 N PHE A 31 -12.034 2.439 -11.360 1.00 0.00 N ATOM 470 CA PHE A 31 -10.694 1.796 -11.301 1.00 0.00 C ATOM 471 C PHE A 31 -10.857 0.283 -11.328 1.00 0.00 C ATOM 472 O PHE A 31 -11.787 -0.268 -10.771 1.00 0.00 O ATOM 473 CB PHE A 31 -9.969 2.191 -10.017 1.00 0.00 C ATOM 474 CG PHE A 31 -9.657 3.663 -10.042 1.00 0.00 C ATOM 475 CD1 PHE A 31 -8.752 4.172 -10.981 1.00 0.00 C ATOM 476 CD2 PHE A 31 -10.270 4.520 -9.126 1.00 0.00 C ATOM 477 CE1 PHE A 31 -8.461 5.540 -11.002 1.00 0.00 C ATOM 478 CE2 PHE A 31 -9.980 5.887 -9.147 1.00 0.00 C ATOM 479 CZ PHE A 31 -9.077 6.399 -10.083 1.00 0.00 C ATOM 0 H PHE A 31 -12.611 2.324 -10.527 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.110 2.128 -12.159 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.588 1.955 -9.151 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.048 1.616 -9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.278 3.508 -11.689 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.968 4.127 -8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.762 5.933 -11.726 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.455 6.549 -8.438 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.854 7.456 -10.098 1.00 0.00 H new ATOM 489 N LEU A 32 -9.954 -0.391 -11.972 1.00 0.00 N ATOM 490 CA LEU A 32 -10.036 -1.870 -12.046 1.00 0.00 C ATOM 491 C LEU A 32 -8.948 -2.472 -11.137 1.00 0.00 C ATOM 492 O LEU A 32 -7.769 -2.384 -11.416 1.00 0.00 O ATOM 493 CB LEU A 32 -9.873 -2.267 -13.527 1.00 0.00 C ATOM 494 CG LEU A 32 -9.195 -3.630 -13.696 1.00 0.00 C ATOM 495 CD1 LEU A 32 -10.222 -4.750 -13.556 1.00 0.00 C ATOM 496 CD2 LEU A 32 -8.592 -3.703 -15.093 1.00 0.00 C ATOM 0 H LEU A 32 -9.156 0.022 -12.454 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.993 -2.255 -11.693 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.853 -2.290 -14.004 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.286 -1.506 -14.042 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.426 -3.745 -12.932 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.728 -5.714 -13.678 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.682 -4.700 -12.569 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.990 -4.637 -14.321 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.105 -4.669 -15.229 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.381 -3.586 -15.836 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.858 -2.906 -15.215 1.00 0.00 H new ATOM 508 N LEU A 33 -9.350 -3.072 -10.040 1.00 0.00 N ATOM 509 CA LEU A 33 -8.363 -3.679 -9.087 1.00 0.00 C ATOM 510 C LEU A 33 -8.479 -5.201 -9.140 1.00 0.00 C ATOM 511 O LEU A 33 -9.420 -5.737 -9.684 1.00 0.00 O ATOM 512 CB LEU A 33 -8.663 -3.228 -7.653 1.00 0.00 C ATOM 513 CG LEU A 33 -8.279 -1.765 -7.451 1.00 0.00 C ATOM 514 CD1 LEU A 33 -8.967 -1.243 -6.191 1.00 0.00 C ATOM 515 CD2 LEU A 33 -6.765 -1.653 -7.258 1.00 0.00 C ATOM 0 H LEU A 33 -10.327 -3.168 -9.762 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.361 -3.358 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.723 -3.363 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.114 -3.853 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.585 -1.186 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.699 -0.198 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.048 -1.328 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.645 -1.830 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.493 -0.607 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.466 -2.230 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.256 -2.042 -8.140 1.00 0.00 H new ATOM 527 N LEU A 34 -7.527 -5.904 -8.581 1.00 0.00 N ATOM 528 CA LEU A 34 -7.601 -7.391 -8.607 1.00 0.00 C ATOM 529 C LEU A 34 -7.440 -7.972 -7.201 1.00 0.00 C ATOM 530 O LEU A 34 -6.585 -7.558 -6.442 1.00 0.00 O ATOM 531 CB LEU A 34 -6.487 -7.944 -9.498 1.00 0.00 C ATOM 532 CG LEU A 34 -6.502 -7.253 -10.862 1.00 0.00 C ATOM 533 CD1 LEU A 34 -5.541 -7.979 -11.799 1.00 0.00 C ATOM 534 CD2 LEU A 34 -7.909 -7.292 -11.458 1.00 0.00 C ATOM 0 H LEU A 34 -6.709 -5.514 -8.112 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.578 -7.676 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.520 -7.793 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.615 -9.019 -9.626 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.196 -6.214 -10.740 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.546 -7.492 -12.774 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.534 -7.948 -11.383 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.856 -9.017 -11.910 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.907 -6.797 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.224 -8.328 -11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.601 -6.779 -10.791 1.00 0.00 H new ATOM 546 N GLN A 35 -8.236 -8.955 -6.862 1.00 0.00 N ATOM 547 CA GLN A 35 -8.097 -9.587 -5.521 1.00 0.00 C ATOM 548 C GLN A 35 -7.364 -10.914 -5.708 1.00 0.00 C ATOM 549 O GLN A 35 -7.908 -11.860 -6.240 1.00 0.00 O ATOM 550 CB GLN A 35 -9.474 -9.853 -4.911 1.00 0.00 C ATOM 551 CG GLN A 35 -9.357 -9.882 -3.384 1.00 0.00 C ATOM 552 CD GLN A 35 -10.701 -10.285 -2.775 1.00 0.00 C ATOM 553 OE1 GLN A 35 -11.250 -11.317 -3.108 1.00 0.00 O ATOM 554 NE2 GLN A 35 -11.258 -9.507 -1.887 1.00 0.00 N ATOM 0 H GLN A 35 -8.971 -9.343 -7.454 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.547 -8.925 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.176 -9.078 -5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.868 -10.802 -5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.583 -10.587 -3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.057 -8.902 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.798 -8.641 -1.607 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.154 -9.765 -1.473 1.00 0.00 H new ATOM 563 N ALA A 36 -6.131 -10.992 -5.294 1.00 0.00 N ATOM 564 CA ALA A 36 -5.376 -12.261 -5.480 1.00 0.00 C ATOM 565 C ALA A 36 -5.994 -13.365 -4.622 1.00 0.00 C ATOM 566 O ALA A 36 -6.132 -13.230 -3.422 1.00 0.00 O ATOM 567 CB ALA A 36 -3.918 -12.044 -5.075 1.00 0.00 C ATOM 0 H ALA A 36 -5.617 -10.238 -4.838 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.422 -12.561 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.361 -12.971 -5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.480 -11.264 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.872 -11.742 -4.029 1.00 0.00 H new ATOM 573 N SER A 37 -6.367 -14.459 -5.230 1.00 0.00 N ATOM 574 CA SER A 37 -6.977 -15.575 -4.451 1.00 0.00 C ATOM 575 C SER A 37 -5.894 -16.583 -4.064 1.00 0.00 C ATOM 576 O SER A 37 -6.119 -17.482 -3.280 1.00 0.00 O ATOM 577 CB SER A 37 -8.040 -16.270 -5.303 1.00 0.00 C ATOM 578 OG SER A 37 -8.450 -17.469 -4.655 1.00 0.00 O ATOM 0 H SER A 37 -6.276 -14.628 -6.232 1.00 0.00 H new ATOM 0 HA SER A 37 -7.438 -15.176 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.895 -15.610 -5.448 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.640 -16.495 -6.292 1.00 0.00 H new ATOM 0 HG SER A 37 -7.797 -17.708 -3.965 1.00 0.00 H new ATOM 641 N HIS A 42 -6.038 -9.933 -1.208 1.00 0.00 N ATOM 642 CA HIS A 42 -5.841 -8.461 -1.099 1.00 0.00 C ATOM 643 C HIS A 42 -6.205 -7.810 -2.435 1.00 0.00 C ATOM 644 O HIS A 42 -6.043 -8.401 -3.481 1.00 0.00 O ATOM 645 CB HIS A 42 -4.373 -8.172 -0.789 1.00 0.00 C ATOM 646 CG HIS A 42 -3.529 -8.611 -1.955 1.00 0.00 C ATOM 647 ND1 HIS A 42 -3.453 -8.164 -3.252 1.00 0.00 N flip ATOM 648 CD2 HIS A 42 -2.622 -9.659 -1.863 1.00 0.00 C flip ATOM 649 CE1 HIS A 42 -2.518 -8.920 -3.949 1.00 0.00 C flip ATOM 650 NE2 HIS A 42 -2.047 -9.805 -3.072 1.00 0.00 N flip ATOM 0 HA HIS A 42 -6.472 -8.062 -0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.231 -7.108 -0.601 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.069 -8.699 0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.416 -10.249 -0.982 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.233 -8.812 -4.985 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -1.339 -10.506 -3.289 1.00 0.00 H new ATOM 659 N TRP A 43 -6.687 -6.599 -2.412 1.00 0.00 N ATOM 660 CA TRP A 43 -7.050 -5.923 -3.689 1.00 0.00 C ATOM 661 C TRP A 43 -5.883 -5.058 -4.164 1.00 0.00 C ATOM 662 O TRP A 43 -5.303 -4.311 -3.403 1.00 0.00 O ATOM 663 CB TRP A 43 -8.273 -5.029 -3.475 1.00 0.00 C ATOM 664 CG TRP A 43 -9.520 -5.846 -3.539 1.00 0.00 C ATOM 665 CD1 TRP A 43 -10.267 -6.220 -2.476 1.00 0.00 C ATOM 666 CD2 TRP A 43 -10.180 -6.388 -4.712 1.00 0.00 C ATOM 667 NE1 TRP A 43 -11.345 -6.961 -2.925 1.00 0.00 N ATOM 668 CE2 TRP A 43 -11.333 -7.095 -4.298 1.00 0.00 C ATOM 669 CE3 TRP A 43 -9.889 -6.337 -6.085 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -12.168 -7.729 -5.216 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -10.724 -6.975 -7.011 1.00 0.00 C ATOM 672 CH2 TRP A 43 -11.860 -7.672 -6.578 1.00 0.00 C ATOM 0 H TRP A 43 -6.845 -6.049 -1.567 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.277 -6.683 -4.437 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.204 -4.530 -2.508 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.301 -4.248 -4.235 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.056 -5.979 -1.444 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.060 -7.359 -2.316 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.016 -5.802 -6.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.046 -8.260 -4.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.491 -6.930 -8.065 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -12.498 -8.165 -7.297 1.00 0.00 H new ATOM 683 N THR A 44 -5.543 -5.145 -5.420 1.00 0.00 N ATOM 684 CA THR A 44 -4.421 -4.320 -5.943 1.00 0.00 C ATOM 685 C THR A 44 -4.417 -4.376 -7.474 1.00 0.00 C ATOM 686 O THR A 44 -4.763 -5.384 -8.058 1.00 0.00 O ATOM 687 CB THR A 44 -3.095 -4.864 -5.414 1.00 0.00 C ATOM 688 OG1 THR A 44 -2.028 -4.068 -5.910 1.00 0.00 O ATOM 689 CG2 THR A 44 -2.914 -6.310 -5.878 1.00 0.00 C ATOM 0 H THR A 44 -5.994 -5.751 -6.105 1.00 0.00 H new ATOM 0 HA THR A 44 -4.548 -3.288 -5.615 1.00 0.00 H new ATOM 0 HB THR A 44 -3.097 -4.832 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.629 -4.505 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.968 -6.698 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.734 -6.920 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.911 -6.345 -6.967 1.00 0.00 H new ATOM 697 N PRO A 45 -4.012 -3.316 -8.122 1.00 0.00 N ATOM 698 CA PRO A 45 -3.950 -3.271 -9.606 1.00 0.00 C ATOM 699 C PRO A 45 -2.995 -4.330 -10.148 1.00 0.00 C ATOM 700 O PRO A 45 -2.163 -4.852 -9.432 1.00 0.00 O ATOM 701 CB PRO A 45 -3.416 -1.874 -9.941 1.00 0.00 C ATOM 702 CG PRO A 45 -3.516 -1.072 -8.688 1.00 0.00 C ATOM 703 CD PRO A 45 -3.575 -2.053 -7.515 1.00 0.00 C ATOM 0 HA PRO A 45 -4.926 -3.467 -10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.384 -1.926 -10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.998 -1.418 -10.741 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.658 -0.408 -8.589 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.406 -0.443 -8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.602 -2.158 -7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.274 -1.716 -6.749 1.00 0.00 H new ATOM 711 N PRO A 46 -3.109 -4.639 -11.403 1.00 0.00 N ATOM 712 CA PRO A 46 -2.234 -5.649 -12.051 1.00 0.00 C ATOM 713 C PRO A 46 -0.789 -5.148 -12.136 1.00 0.00 C ATOM 714 O PRO A 46 -0.429 -4.400 -13.023 1.00 0.00 O ATOM 715 CB PRO A 46 -2.843 -5.821 -13.443 1.00 0.00 C ATOM 716 CG PRO A 46 -3.619 -4.568 -13.700 1.00 0.00 C ATOM 717 CD PRO A 46 -4.078 -4.055 -12.339 1.00 0.00 C ATOM 0 HA PRO A 46 -2.188 -6.586 -11.496 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.067 -5.963 -14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.490 -6.698 -13.482 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.001 -3.826 -14.206 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.473 -4.767 -14.348 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.069 -2.966 -12.297 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.096 -4.374 -12.113 1.00 0.00 H new ATOM 725 N LYS A 47 0.036 -5.537 -11.201 1.00 0.00 N ATOM 726 CA LYS A 47 1.449 -5.063 -11.204 1.00 0.00 C ATOM 727 C LYS A 47 2.387 -6.218 -10.838 1.00 0.00 C ATOM 728 O LYS A 47 2.092 -7.014 -9.970 1.00 0.00 O ATOM 729 CB LYS A 47 1.585 -3.945 -10.171 1.00 0.00 C ATOM 730 CG LYS A 47 1.424 -4.528 -8.767 1.00 0.00 C ATOM 731 CD LYS A 47 1.299 -3.390 -7.761 1.00 0.00 C ATOM 732 CE LYS A 47 1.371 -3.950 -6.343 1.00 0.00 C ATOM 733 NZ LYS A 47 0.358 -3.271 -5.486 1.00 0.00 N ATOM 0 H LYS A 47 -0.209 -6.164 -10.434 1.00 0.00 H new ATOM 0 HA LYS A 47 1.716 -4.695 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.558 -3.463 -10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.830 -3.178 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.541 -5.165 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.281 -5.154 -8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.097 -2.664 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.356 -2.864 -7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.190 -5.025 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.369 -3.800 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.707 -3.223 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.192 -2.308 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.533 -3.807 -5.510 1.00 0.00 H new ATOM 747 N GLY A 48 3.518 -6.313 -11.488 1.00 0.00 N ATOM 748 CA GLY A 48 4.471 -7.417 -11.172 1.00 0.00 C ATOM 749 C GLY A 48 5.862 -6.840 -10.891 1.00 0.00 C ATOM 750 O GLY A 48 6.166 -5.722 -11.253 1.00 0.00 O ATOM 0 H GLY A 48 3.822 -5.674 -12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.118 -7.977 -10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.520 -8.117 -12.006 1.00 0.00 H new ATOM 754 N HIS A 49 6.708 -7.604 -10.249 1.00 0.00 N ATOM 755 CA HIS A 49 8.084 -7.114 -9.938 1.00 0.00 C ATOM 756 C HIS A 49 8.853 -6.868 -11.235 1.00 0.00 C ATOM 757 O HIS A 49 8.436 -7.276 -12.301 1.00 0.00 O ATOM 758 CB HIS A 49 8.816 -8.165 -9.103 1.00 0.00 C ATOM 759 CG HIS A 49 10.284 -7.835 -9.046 1.00 0.00 C ATOM 760 ND1 HIS A 49 10.962 -6.741 -8.566 1.00 0.00 N flip ATOM 761 CD2 HIS A 49 11.257 -8.702 -9.529 1.00 0.00 C flip ATOM 762 CE1 HIS A 49 12.328 -6.926 -8.750 1.00 0.00 C flip ATOM 763 NE2 HIS A 49 12.452 -8.121 -9.331 1.00 0.00 N flip ATOM 0 H HIS A 49 6.504 -8.550 -9.926 1.00 0.00 H new ATOM 0 HA HIS A 49 8.018 -6.180 -9.380 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.401 -8.197 -8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 49 8.672 -9.154 -9.538 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.084 -9.667 -9.981 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.122 -6.245 -8.480 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.344 -8.541 -9.592 1.00 0.00 H new ATOM 772 N VAL A 50 9.972 -6.195 -11.158 1.00 0.00 N ATOM 773 CA VAL A 50 10.758 -5.918 -12.393 1.00 0.00 C ATOM 774 C VAL A 50 11.936 -6.892 -12.497 1.00 0.00 C ATOM 775 O VAL A 50 12.726 -7.031 -11.588 1.00 0.00 O ATOM 776 CB VAL A 50 11.276 -4.471 -12.346 1.00 0.00 C ATOM 777 CG1 VAL A 50 12.749 -4.442 -11.929 1.00 0.00 C ATOM 778 CG2 VAL A 50 11.131 -3.833 -13.728 1.00 0.00 C ATOM 0 H VAL A 50 10.373 -5.827 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 50 10.120 -6.050 -13.267 1.00 0.00 H new ATOM 0 HB VAL A 50 10.690 -3.914 -11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.099 -3.410 -11.901 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.856 -4.888 -10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.342 -5.007 -12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.498 -2.807 -13.695 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.710 -4.403 -14.454 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.081 -3.834 -14.021 1.00 0.00 H new ATOM 841 N ASP A 55 11.602 -3.618 -18.415 1.00 0.00 N ATOM 842 CA ASP A 55 11.791 -2.216 -17.944 1.00 0.00 C ATOM 843 C ASP A 55 10.816 -1.923 -16.805 1.00 0.00 C ATOM 844 O ASP A 55 9.963 -2.726 -16.482 1.00 0.00 O ATOM 845 CB ASP A 55 11.516 -1.249 -19.097 1.00 0.00 C ATOM 846 CG ASP A 55 12.315 0.040 -18.889 1.00 0.00 C ATOM 847 OD1 ASP A 55 13.350 -0.023 -18.247 1.00 0.00 O ATOM 848 OD2 ASP A 55 11.873 1.068 -19.374 1.00 0.00 O ATOM 0 HA ASP A 55 12.815 -2.090 -17.593 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.792 -1.710 -20.045 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.451 -1.024 -19.150 1.00 0.00 H new ATOM 854 N ASP A 56 10.935 -0.778 -16.194 1.00 0.00 N ATOM 855 CA ASP A 56 10.013 -0.435 -15.075 1.00 0.00 C ATOM 856 C ASP A 56 8.579 -0.358 -15.602 1.00 0.00 C ATOM 857 O ASP A 56 7.709 -1.078 -15.158 1.00 0.00 O ATOM 858 CB ASP A 56 10.412 0.917 -14.480 1.00 0.00 C ATOM 859 CG ASP A 56 11.786 0.799 -13.817 1.00 0.00 C ATOM 860 OD1 ASP A 56 12.365 1.829 -13.512 1.00 0.00 O ATOM 861 OD2 ASP A 56 12.237 -0.319 -13.625 1.00 0.00 O ATOM 0 H ASP A 56 11.629 -0.066 -16.420 1.00 0.00 H new ATOM 0 HA ASP A 56 10.076 -1.203 -14.304 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.438 1.676 -15.261 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.670 1.237 -13.749 1.00 0.00 H new ATOM 867 N LEU A 57 8.317 0.497 -16.556 1.00 0.00 N ATOM 868 CA LEU A 57 6.932 0.578 -17.098 1.00 0.00 C ATOM 869 C LEU A 57 6.624 -0.692 -17.881 1.00 0.00 C ATOM 870 O LEU A 57 5.548 -1.247 -17.780 1.00 0.00 O ATOM 871 CB LEU A 57 6.789 1.791 -18.019 1.00 0.00 C ATOM 872 CG LEU A 57 5.434 1.733 -18.737 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.303 2.084 -17.769 1.00 0.00 C ATOM 874 CD2 LEU A 57 5.439 2.726 -19.897 1.00 0.00 C ATOM 0 H LEU A 57 8.993 1.134 -16.977 1.00 0.00 H new ATOM 0 HA LEU A 57 6.233 0.683 -16.269 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.866 2.711 -17.440 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.599 1.804 -18.749 1.00 0.00 H new ATOM 0 HG LEU A 57 5.272 0.723 -19.113 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.348 2.039 -18.293 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.298 1.373 -16.943 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.456 3.091 -17.380 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.479 2.690 -20.411 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.607 3.732 -19.514 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.235 2.466 -20.595 1.00 0.00 H new ATOM 886 N GLU A 58 7.558 -1.166 -18.654 1.00 0.00 N ATOM 887 CA GLU A 58 7.301 -2.407 -19.426 1.00 0.00 C ATOM 888 C GLU A 58 6.873 -3.480 -18.432 1.00 0.00 C ATOM 889 O GLU A 58 6.039 -4.317 -18.717 1.00 0.00 O ATOM 890 CB GLU A 58 8.580 -2.830 -20.152 1.00 0.00 C ATOM 891 CG GLU A 58 8.924 -1.788 -21.221 1.00 0.00 C ATOM 892 CD GLU A 58 7.815 -1.745 -22.274 1.00 0.00 C ATOM 893 OE1 GLU A 58 7.046 -2.690 -22.338 1.00 0.00 O ATOM 894 OE2 GLU A 58 7.753 -0.765 -23.000 1.00 0.00 O ATOM 0 H GLU A 58 8.481 -0.751 -18.783 1.00 0.00 H new ATOM 0 HA GLU A 58 6.522 -2.253 -20.173 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.401 -2.923 -19.441 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.444 -3.809 -20.612 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.041 -0.806 -20.762 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.876 -2.035 -21.691 1.00 0.00 H new ATOM 902 N THR A 59 7.417 -3.432 -17.246 1.00 0.00 N ATOM 903 CA THR A 59 7.025 -4.412 -16.204 1.00 0.00 C ATOM 904 C THR A 59 5.568 -4.149 -15.830 1.00 0.00 C ATOM 905 O THR A 59 4.767 -5.056 -15.727 1.00 0.00 O ATOM 906 CB THR A 59 7.913 -4.220 -14.973 1.00 0.00 C ATOM 907 OG1 THR A 59 8.981 -5.153 -15.012 1.00 0.00 O ATOM 908 CG2 THR A 59 7.090 -4.426 -13.701 1.00 0.00 C ATOM 0 H THR A 59 8.119 -2.751 -16.957 1.00 0.00 H new ATOM 0 HA THR A 59 7.141 -5.431 -16.573 1.00 0.00 H new ATOM 0 HB THR A 59 8.317 -3.207 -14.973 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.633 -6.055 -14.854 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.728 -4.288 -12.828 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.276 -3.702 -13.673 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.678 -5.435 -13.693 1.00 0.00 H new ATOM 916 N ALA A 60 5.216 -2.903 -15.644 1.00 0.00 N ATOM 917 CA ALA A 60 3.806 -2.580 -15.303 1.00 0.00 C ATOM 918 C ALA A 60 2.934 -3.042 -16.461 1.00 0.00 C ATOM 919 O ALA A 60 1.920 -3.684 -16.278 1.00 0.00 O ATOM 920 CB ALA A 60 3.653 -1.068 -15.109 1.00 0.00 C ATOM 0 H ALA A 60 5.843 -2.102 -15.714 1.00 0.00 H new ATOM 0 HA ALA A 60 3.511 -3.078 -14.379 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.618 -0.836 -14.859 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.304 -0.737 -14.300 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.928 -0.553 -16.030 1.00 0.00 H new ATOM 926 N LEU A 61 3.349 -2.744 -17.661 1.00 0.00 N ATOM 927 CA LEU A 61 2.581 -3.186 -18.852 1.00 0.00 C ATOM 928 C LEU A 61 2.573 -4.714 -18.879 1.00 0.00 C ATOM 929 O LEU A 61 1.600 -5.340 -19.250 1.00 0.00 O ATOM 930 CB LEU A 61 3.248 -2.625 -20.112 1.00 0.00 C ATOM 931 CG LEU A 61 3.060 -1.105 -20.150 1.00 0.00 C ATOM 932 CD1 LEU A 61 4.015 -0.484 -21.168 1.00 0.00 C ATOM 933 CD2 LEU A 61 1.624 -0.780 -20.556 1.00 0.00 C ATOM 0 H LEU A 61 4.193 -2.210 -17.866 1.00 0.00 H new ATOM 0 HA LEU A 61 1.554 -2.822 -18.811 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.310 -2.872 -20.116 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.812 -3.079 -21.002 1.00 0.00 H new ATOM 0 HG LEU A 61 3.270 -0.698 -19.161 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.874 0.597 -21.188 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.044 -0.710 -20.887 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.810 -0.895 -22.157 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.489 0.301 -20.583 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.422 -1.196 -21.543 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.934 -1.213 -19.832 1.00 0.00 H new ATOM 945 N ARG A 62 3.655 -5.317 -18.466 1.00 0.00 N ATOM 946 CA ARG A 62 3.724 -6.804 -18.440 1.00 0.00 C ATOM 947 C ARG A 62 2.684 -7.349 -17.456 1.00 0.00 C ATOM 948 O ARG A 62 1.899 -8.217 -17.784 1.00 0.00 O ATOM 949 CB ARG A 62 5.123 -7.225 -17.980 1.00 0.00 C ATOM 950 CG ARG A 62 5.190 -8.748 -17.830 1.00 0.00 C ATOM 951 CD ARG A 62 6.455 -9.131 -17.060 1.00 0.00 C ATOM 952 NE ARG A 62 6.166 -10.309 -16.191 1.00 0.00 N ATOM 953 CZ ARG A 62 6.893 -10.530 -15.128 1.00 0.00 C ATOM 954 NH1 ARG A 62 7.882 -9.730 -14.838 1.00 0.00 N ATOM 955 NH2 ARG A 62 6.631 -11.549 -14.358 1.00 0.00 N ATOM 0 H ARG A 62 4.497 -4.840 -18.144 1.00 0.00 H new ATOM 0 HA ARG A 62 3.522 -7.200 -19.435 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.868 -6.889 -18.701 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.361 -6.747 -17.030 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.307 -9.111 -17.304 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.192 -9.221 -18.812 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.261 -9.367 -17.756 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.793 -8.291 -16.453 1.00 0.00 H new ATOM 0 HE ARG A 62 5.401 -10.941 -16.427 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.087 -8.933 -15.441 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.450 -9.901 -14.008 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.858 -12.174 -14.585 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.199 -11.721 -13.528 1.00 0.00 H new ATOM 969 N ALA A 63 2.678 -6.852 -16.248 1.00 0.00 N ATOM 970 CA ALA A 63 1.695 -7.347 -15.243 1.00 0.00 C ATOM 971 C ALA A 63 0.294 -6.860 -15.611 1.00 0.00 C ATOM 972 O ALA A 63 -0.689 -7.539 -15.390 1.00 0.00 O ATOM 973 CB ALA A 63 2.065 -6.825 -13.853 1.00 0.00 C ATOM 0 H ALA A 63 3.311 -6.125 -15.915 1.00 0.00 H new ATOM 0 HA ALA A 63 1.712 -8.437 -15.236 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.343 -7.190 -13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.061 -7.177 -13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.055 -5.735 -13.859 1.00 0.00 H new ATOM 979 N THR A 64 0.194 -5.687 -16.170 1.00 0.00 N ATOM 980 CA THR A 64 -1.144 -5.160 -16.548 1.00 0.00 C ATOM 981 C THR A 64 -1.858 -6.197 -17.412 1.00 0.00 C ATOM 982 O THR A 64 -3.009 -6.518 -17.193 1.00 0.00 O ATOM 983 CB THR A 64 -0.959 -3.863 -17.336 1.00 0.00 C ATOM 984 OG1 THR A 64 -0.151 -2.971 -16.587 1.00 0.00 O ATOM 985 CG2 THR A 64 -2.315 -3.214 -17.597 1.00 0.00 C ATOM 0 H THR A 64 0.980 -5.072 -16.381 1.00 0.00 H new ATOM 0 HA THR A 64 -1.740 -4.961 -15.657 1.00 0.00 H new ATOM 0 HB THR A 64 -0.479 -4.088 -18.288 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.774 -3.294 -16.582 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.174 -2.291 -18.159 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.941 -3.897 -18.172 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.800 -2.990 -16.647 1.00 0.00 H new ATOM 993 N GLN A 65 -1.180 -6.729 -18.389 1.00 0.00 N ATOM 994 CA GLN A 65 -1.812 -7.750 -19.266 1.00 0.00 C ATOM 995 C GLN A 65 -1.863 -9.111 -18.561 1.00 0.00 C ATOM 996 O GLN A 65 -2.868 -9.786 -18.575 1.00 0.00 O ATOM 997 CB GLN A 65 -1.017 -7.866 -20.573 1.00 0.00 C ATOM 998 CG GLN A 65 0.010 -8.997 -20.476 1.00 0.00 C ATOM 999 CD GLN A 65 0.882 -8.994 -21.733 1.00 0.00 C ATOM 1000 OE1 GLN A 65 1.357 -7.959 -22.155 1.00 0.00 O ATOM 1001 NE2 GLN A 65 1.111 -10.118 -22.354 1.00 0.00 N ATOM 0 H GLN A 65 -0.213 -6.500 -18.618 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.833 -7.440 -19.488 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.697 -8.054 -21.404 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.511 -6.924 -20.783 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.630 -8.867 -19.589 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.497 -9.957 -20.373 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.712 -10.987 -21.999 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.689 -10.128 -23.194 1.00 0.00 H new ATOM 1010 N GLU A 66 -0.780 -9.538 -17.978 1.00 0.00 N ATOM 1011 CA GLU A 66 -0.772 -10.877 -17.318 1.00 0.00 C ATOM 1012 C GLU A 66 -1.652 -10.899 -16.062 1.00 0.00 C ATOM 1013 O GLU A 66 -2.464 -11.786 -15.885 1.00 0.00 O ATOM 1014 CB GLU A 66 0.665 -11.233 -16.933 1.00 0.00 C ATOM 1015 CG GLU A 66 0.708 -12.661 -16.386 1.00 0.00 C ATOM 1016 CD GLU A 66 2.124 -12.983 -15.907 1.00 0.00 C ATOM 1017 OE1 GLU A 66 2.967 -12.105 -15.976 1.00 0.00 O ATOM 1018 OE2 GLU A 66 2.341 -14.106 -15.480 1.00 0.00 O ATOM 0 H GLU A 66 0.099 -9.022 -17.928 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.176 -11.605 -18.022 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.318 -11.145 -17.801 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.036 -10.534 -16.183 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.002 -12.768 -15.563 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.405 -13.367 -17.159 1.00 0.00 H new ATOM 1026 N GLU A 67 -1.482 -9.962 -15.174 1.00 0.00 N ATOM 1027 CA GLU A 67 -2.295 -9.975 -13.921 1.00 0.00 C ATOM 1028 C GLU A 67 -3.765 -9.638 -14.198 1.00 0.00 C ATOM 1029 O GLU A 67 -4.647 -10.123 -13.518 1.00 0.00 O ATOM 1030 CB GLU A 67 -1.706 -8.985 -12.917 1.00 0.00 C ATOM 1031 CG GLU A 67 -0.321 -9.478 -12.494 1.00 0.00 C ATOM 1032 CD GLU A 67 0.216 -8.622 -11.348 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -0.492 -7.726 -10.922 1.00 0.00 O ATOM 1034 OE2 GLU A 67 1.325 -8.881 -10.913 1.00 0.00 O ATOM 0 H GLU A 67 -0.820 -9.190 -15.257 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.262 -10.982 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.634 -7.993 -13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.357 -8.897 -12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.378 -10.521 -12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.363 -9.435 -13.342 1.00 0.00 H new ATOM 1042 N ALA A 68 -4.047 -8.811 -15.169 1.00 0.00 N ATOM 1043 CA ALA A 68 -5.476 -8.457 -15.444 1.00 0.00 C ATOM 1044 C ALA A 68 -5.899 -8.970 -16.816 1.00 0.00 C ATOM 1045 O ALA A 68 -7.069 -9.175 -17.073 1.00 0.00 O ATOM 1046 CB ALA A 68 -5.641 -6.945 -15.432 1.00 0.00 C ATOM 0 H ALA A 68 -3.360 -8.368 -15.779 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.095 -8.916 -14.673 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.682 -6.691 -15.632 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.354 -6.555 -14.455 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.006 -6.504 -16.200 1.00 0.00 H new ATOM 1052 N GLY A 69 -4.973 -9.165 -17.705 1.00 0.00 N ATOM 1053 CA GLY A 69 -5.357 -9.648 -19.058 1.00 0.00 C ATOM 1054 C GLY A 69 -5.456 -8.460 -20.015 1.00 0.00 C ATOM 1055 O GLY A 69 -5.870 -8.606 -21.147 1.00 0.00 O ATOM 0 H GLY A 69 -3.975 -9.013 -17.558 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.619 -10.362 -19.424 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.312 -10.171 -19.011 1.00 0.00 H new ATOM 1059 N ILE A 70 -5.092 -7.280 -19.578 1.00 0.00 N ATOM 1060 CA ILE A 70 -5.192 -6.112 -20.492 1.00 0.00 C ATOM 1061 C ILE A 70 -3.807 -5.759 -21.030 1.00 0.00 C ATOM 1062 O ILE A 70 -2.897 -5.460 -20.283 1.00 0.00 O ATOM 1063 CB ILE A 70 -5.741 -4.906 -19.736 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -6.886 -5.340 -18.830 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -6.276 -3.893 -20.742 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -7.174 -4.230 -17.822 1.00 0.00 C ATOM 0 H ILE A 70 -4.736 -7.081 -18.643 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.859 -6.368 -21.315 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.945 -4.466 -19.135 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.776 -5.549 -19.423 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.625 -6.262 -18.310 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.671 -3.027 -20.211 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.470 -3.577 -21.404 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.071 -4.350 -21.332 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.993 -4.534 -17.170 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.283 -4.043 -17.222 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -7.452 -3.319 -18.353 1.00 0.00 H new ATOM 1078 N GLU A 71 -3.642 -5.778 -22.320 1.00 0.00 N ATOM 1079 CA GLU A 71 -2.317 -5.432 -22.897 1.00 0.00 C ATOM 1080 C GLU A 71 -2.268 -3.936 -23.181 1.00 0.00 C ATOM 1081 O GLU A 71 -3.282 -3.271 -23.257 1.00 0.00 O ATOM 1082 CB GLU A 71 -2.102 -6.207 -24.197 1.00 0.00 C ATOM 1083 CG GLU A 71 -3.161 -5.787 -25.214 1.00 0.00 C ATOM 1084 CD GLU A 71 -3.042 -6.659 -26.465 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -2.113 -7.449 -26.527 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -3.881 -6.523 -27.340 1.00 0.00 O ATOM 0 H GLU A 71 -4.365 -6.017 -22.999 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.532 -5.696 -22.189 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.105 -6.011 -24.591 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.165 -7.279 -24.010 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.156 -5.888 -24.781 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.032 -4.737 -25.476 1.00 0.00 H new ATOM 1094 N ALA A 72 -1.093 -3.403 -23.337 1.00 0.00 N ATOM 1095 CA ALA A 72 -0.970 -1.949 -23.615 1.00 0.00 C ATOM 1096 C ALA A 72 -1.660 -1.626 -24.939 1.00 0.00 C ATOM 1097 O ALA A 72 -2.080 -0.512 -25.177 1.00 0.00 O ATOM 1098 CB ALA A 72 0.506 -1.568 -23.701 1.00 0.00 C ATOM 0 H ALA A 72 -0.211 -3.912 -23.284 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.442 -1.384 -22.811 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.595 -0.501 -23.905 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.997 -1.799 -22.756 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.981 -2.132 -24.504 1.00 0.00 H new ATOM 1104 N GLY A 73 -1.775 -2.596 -25.803 1.00 0.00 N ATOM 1105 CA GLY A 73 -2.432 -2.352 -27.116 1.00 0.00 C ATOM 1106 C GLY A 73 -3.821 -1.746 -26.901 1.00 0.00 C ATOM 1107 O GLY A 73 -4.275 -0.930 -27.677 1.00 0.00 O ATOM 0 H GLY A 73 -1.442 -3.549 -25.655 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.822 -1.679 -27.718 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.516 -3.287 -27.670 1.00 0.00 H new ATOM 1111 N GLN A 74 -4.504 -2.137 -25.859 1.00 0.00 N ATOM 1112 CA GLN A 74 -5.864 -1.574 -25.618 1.00 0.00 C ATOM 1113 C GLN A 74 -5.803 -0.506 -24.522 1.00 0.00 C ATOM 1114 O GLN A 74 -6.808 0.055 -24.136 1.00 0.00 O ATOM 1115 CB GLN A 74 -6.831 -2.690 -25.215 1.00 0.00 C ATOM 1116 CG GLN A 74 -6.191 -3.586 -24.158 1.00 0.00 C ATOM 1117 CD GLN A 74 -7.090 -4.801 -23.918 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -6.576 -5.891 -23.420 1.00 0.00 O flip ATOM 1119 NE2 GLN A 74 -8.274 -4.758 -24.191 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.183 -2.816 -25.169 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.224 -1.113 -26.538 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -7.754 -2.259 -24.826 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.099 -3.282 -26.090 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.203 -3.909 -24.487 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.052 -3.032 -23.230 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.677 -3.906 -24.581 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.864 -5.574 -24.030 1.00 0.00 H new ATOM 1128 N LEU A 75 -4.632 -0.210 -24.025 1.00 0.00 N ATOM 1129 CA LEU A 75 -4.517 0.833 -22.964 1.00 0.00 C ATOM 1130 C LEU A 75 -3.729 2.027 -23.482 1.00 0.00 C ATOM 1131 O LEU A 75 -2.805 1.890 -24.258 1.00 0.00 O ATOM 1132 CB LEU A 75 -3.761 0.286 -21.761 1.00 0.00 C ATOM 1133 CG LEU A 75 -4.447 -0.958 -21.231 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -3.481 -1.686 -20.306 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -5.694 -0.551 -20.444 1.00 0.00 C ATOM 0 H LEU A 75 -3.753 -0.643 -24.306 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.528 1.128 -22.682 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.735 0.051 -22.044 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.711 1.044 -20.979 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.737 -1.608 -22.056 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.959 -2.584 -19.915 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.585 -1.964 -20.861 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.207 -1.032 -19.478 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.190 -1.443 -20.061 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.405 0.089 -19.611 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.377 -0.009 -21.099 1.00 0.00 H new ATOM 1147 N THR A 76 -4.062 3.191 -23.017 1.00 0.00 N ATOM 1148 CA THR A 76 -3.309 4.400 -23.426 1.00 0.00 C ATOM 1149 C THR A 76 -2.630 4.956 -22.177 1.00 0.00 C ATOM 1150 O THR A 76 -3.285 5.371 -21.242 1.00 0.00 O ATOM 1151 CB THR A 76 -4.275 5.432 -24.015 1.00 0.00 C ATOM 1152 OG1 THR A 76 -4.195 5.397 -25.434 1.00 0.00 O ATOM 1153 CG2 THR A 76 -3.915 6.830 -23.514 1.00 0.00 C ATOM 0 H THR A 76 -4.829 3.359 -22.366 1.00 0.00 H new ATOM 0 HA THR A 76 -2.565 4.162 -24.186 1.00 0.00 H new ATOM 0 HB THR A 76 -5.291 5.194 -23.700 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.814 6.056 -25.813 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.607 7.558 -23.938 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.983 6.855 -22.426 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.898 7.075 -23.820 1.00 0.00 H new ATOM 1161 N ILE A 77 -1.330 4.951 -22.131 1.00 0.00 N ATOM 1162 CA ILE A 77 -0.654 5.466 -20.913 1.00 0.00 C ATOM 1163 C ILE A 77 -0.815 6.977 -20.841 1.00 0.00 C ATOM 1164 O ILE A 77 0.021 7.720 -21.310 1.00 0.00 O ATOM 1165 CB ILE A 77 0.837 5.133 -20.948 1.00 0.00 C ATOM 1166 CG1 ILE A 77 1.025 3.613 -20.966 1.00 0.00 C ATOM 1167 CG2 ILE A 77 1.513 5.719 -19.704 1.00 0.00 C ATOM 1168 CD1 ILE A 77 1.233 3.111 -19.537 1.00 0.00 C ATOM 0 H ILE A 77 -0.714 4.618 -22.872 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.109 4.996 -20.041 1.00 0.00 H new ATOM 0 HB ILE A 77 1.286 5.560 -21.845 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.152 3.133 -21.409 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.883 3.349 -21.585 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.577 5.484 -19.724 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.380 6.801 -19.693 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.063 5.289 -18.809 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.367 2.029 -19.547 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.119 3.582 -19.111 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.362 3.363 -18.932 1.00 0.00 H new ATOM 1180 N ILE A 78 -1.862 7.443 -20.226 1.00 0.00 N ATOM 1181 CA ILE A 78 -2.030 8.911 -20.103 1.00 0.00 C ATOM 1182 C ILE A 78 -0.723 9.463 -19.591 1.00 0.00 C ATOM 1183 O ILE A 78 -0.278 10.530 -19.964 1.00 0.00 O ATOM 1184 CB ILE A 78 -3.106 9.232 -19.075 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -4.491 9.030 -19.691 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -2.934 10.680 -18.608 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -4.855 7.546 -19.624 1.00 0.00 C ATOM 0 H ILE A 78 -2.601 6.877 -19.808 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.312 9.338 -21.065 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.010 8.564 -18.219 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.231 9.624 -19.155 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.496 9.372 -20.726 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.701 10.918 -17.871 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.949 10.803 -18.159 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.030 11.351 -19.461 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.842 7.393 -20.061 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.118 6.965 -20.179 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.865 7.220 -18.584 1.00 0.00 H new ATOM 1199 N GLU A 79 -0.116 8.727 -18.718 1.00 0.00 N ATOM 1200 CA GLU A 79 1.165 9.171 -18.136 1.00 0.00 C ATOM 1201 C GLU A 79 0.890 10.373 -17.235 1.00 0.00 C ATOM 1202 O GLU A 79 0.028 10.321 -16.381 1.00 0.00 O ATOM 1203 CB GLU A 79 2.119 9.543 -19.273 1.00 0.00 C ATOM 1204 CG GLU A 79 3.478 8.917 -18.990 1.00 0.00 C ATOM 1205 CD GLU A 79 4.438 9.220 -20.142 1.00 0.00 C ATOM 1206 OE1 GLU A 79 5.588 8.825 -20.048 1.00 0.00 O ATOM 1207 OE2 GLU A 79 4.006 9.841 -21.100 1.00 0.00 O ATOM 0 H GLU A 79 -0.457 7.827 -18.379 1.00 0.00 H new ATOM 0 HA GLU A 79 1.625 8.381 -17.543 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.729 9.186 -20.226 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.210 10.626 -19.351 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.881 9.308 -18.056 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.373 7.839 -18.866 1.00 0.00 H new ATOM 1215 N GLY A 80 1.596 11.450 -17.404 1.00 0.00 N ATOM 1216 CA GLY A 80 1.342 12.631 -16.537 1.00 0.00 C ATOM 1217 C GLY A 80 1.647 12.255 -15.088 1.00 0.00 C ATOM 1218 O GLY A 80 2.460 12.880 -14.436 1.00 0.00 O ATOM 0 H GLY A 80 2.333 11.566 -18.099 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.966 13.469 -16.849 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.305 12.953 -16.633 1.00 0.00 H new ATOM 1222 N PHE A 81 1.008 11.232 -14.577 1.00 0.00 N ATOM 1223 CA PHE A 81 1.285 10.827 -13.173 1.00 0.00 C ATOM 1224 C PHE A 81 2.142 9.561 -13.167 1.00 0.00 C ATOM 1225 O PHE A 81 1.737 8.519 -13.645 1.00 0.00 O ATOM 1226 CB PHE A 81 -0.032 10.542 -12.447 1.00 0.00 C ATOM 1227 CG PHE A 81 0.252 10.273 -10.987 1.00 0.00 C ATOM 1228 CD1 PHE A 81 0.540 8.972 -10.556 1.00 0.00 C ATOM 1229 CD2 PHE A 81 0.227 11.326 -10.065 1.00 0.00 C ATOM 1230 CE1 PHE A 81 0.806 8.725 -9.204 1.00 0.00 C ATOM 1231 CE2 PHE A 81 0.492 11.079 -8.712 1.00 0.00 C ATOM 1232 CZ PHE A 81 0.781 9.778 -8.282 1.00 0.00 C ATOM 0 H PHE A 81 0.315 10.668 -15.068 1.00 0.00 H new ATOM 0 HA PHE A 81 1.814 11.634 -12.666 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.708 11.391 -12.548 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.530 9.683 -12.897 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.557 8.159 -11.267 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.003 12.329 -10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.031 7.722 -8.872 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.473 11.892 -8.001 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.985 9.587 -7.239 1.00 0.00 H new ATOM 1242 N LYS A 82 3.319 9.639 -12.612 1.00 0.00 N ATOM 1243 CA LYS A 82 4.201 8.443 -12.549 1.00 0.00 C ATOM 1244 C LYS A 82 5.091 8.568 -11.328 1.00 0.00 C ATOM 1245 O LYS A 82 5.976 9.395 -11.281 1.00 0.00 O ATOM 1246 CB LYS A 82 5.079 8.360 -13.800 1.00 0.00 C ATOM 1247 CG LYS A 82 6.105 7.221 -13.651 1.00 0.00 C ATOM 1248 CD LYS A 82 7.267 7.651 -12.744 1.00 0.00 C ATOM 1249 CE LYS A 82 8.532 6.873 -13.118 1.00 0.00 C ATOM 1250 NZ LYS A 82 9.728 7.591 -12.596 1.00 0.00 N ATOM 0 H LYS A 82 3.709 10.485 -12.197 1.00 0.00 H new ATOM 0 HA LYS A 82 3.588 7.544 -12.490 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.458 8.188 -14.679 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.595 9.307 -13.955 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.619 6.339 -13.234 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.488 6.939 -14.632 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.444 8.722 -12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.012 7.469 -11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.489 5.866 -12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.601 6.769 -14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.588 7.063 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.771 8.543 -13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.662 7.669 -11.561 1.00 0.00 H new ATOM 1264 N ARG A 83 4.884 7.748 -10.351 1.00 0.00 N ATOM 1265 CA ARG A 83 5.741 7.817 -9.145 1.00 0.00 C ATOM 1266 C ARG A 83 5.931 6.412 -8.595 1.00 0.00 C ATOM 1267 O ARG A 83 5.283 5.477 -9.019 1.00 0.00 O ATOM 1268 CB ARG A 83 5.096 8.717 -8.089 1.00 0.00 C ATOM 1269 CG ARG A 83 5.093 10.170 -8.578 1.00 0.00 C ATOM 1270 CD ARG A 83 6.533 10.644 -8.808 1.00 0.00 C ATOM 1271 NE ARG A 83 6.743 11.957 -8.137 1.00 0.00 N ATOM 1272 CZ ARG A 83 7.293 12.008 -6.954 1.00 0.00 C ATOM 1273 NH1 ARG A 83 7.625 10.906 -6.337 1.00 0.00 N ATOM 1274 NH2 ARG A 83 7.507 13.164 -6.388 1.00 0.00 N ATOM 0 H ARG A 83 4.159 7.031 -10.332 1.00 0.00 H new ATOM 0 HA ARG A 83 6.710 8.240 -9.408 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.076 8.388 -7.891 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.643 8.641 -7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.522 10.251 -9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.603 10.809 -7.844 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.235 9.908 -8.416 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.730 10.735 -9.876 1.00 0.00 H new ATOM 0 HE ARG A 83 6.457 12.818 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.455 10.003 -6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.055 10.948 -5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.245 14.024 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.936 13.208 -5.464 1.00 0.00 H new ATOM 1288 N GLU A 84 6.825 6.245 -7.669 1.00 0.00 N ATOM 1289 CA GLU A 84 7.056 4.890 -7.120 1.00 0.00 C ATOM 1290 C GLU A 84 6.079 4.611 -5.979 1.00 0.00 C ATOM 1291 O GLU A 84 6.194 5.149 -4.896 1.00 0.00 O ATOM 1292 CB GLU A 84 8.494 4.799 -6.612 1.00 0.00 C ATOM 1293 CG GLU A 84 9.454 5.041 -7.780 1.00 0.00 C ATOM 1294 CD GLU A 84 9.689 6.543 -7.949 1.00 0.00 C ATOM 1295 OE1 GLU A 84 9.152 7.301 -7.160 1.00 0.00 O ATOM 1296 OE2 GLU A 84 10.403 6.911 -8.867 1.00 0.00 O ATOM 0 H GLU A 84 7.403 6.985 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 84 6.895 4.147 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.663 5.536 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.676 3.818 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.401 4.533 -7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.040 4.622 -8.697 1.00 0.00 H new ATOM 1304 N LEU A 85 5.130 3.745 -6.215 1.00 0.00 N ATOM 1305 CA LEU A 85 4.150 3.392 -5.154 1.00 0.00 C ATOM 1306 C LEU A 85 4.852 2.437 -4.193 1.00 0.00 C ATOM 1307 O LEU A 85 5.496 1.498 -4.613 1.00 0.00 O ATOM 1308 CB LEU A 85 2.946 2.677 -5.785 1.00 0.00 C ATOM 1309 CG LEU A 85 1.681 2.949 -4.960 1.00 0.00 C ATOM 1310 CD1 LEU A 85 0.838 4.039 -5.623 1.00 0.00 C ATOM 1311 CD2 LEU A 85 0.847 1.671 -4.860 1.00 0.00 C ATOM 0 H LEU A 85 4.993 3.265 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 85 3.799 4.285 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.803 3.023 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.134 1.605 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 85 1.980 3.279 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.056 4.221 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.421 4.957 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.547 3.717 -6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.051 1.867 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.563 1.343 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.434 0.891 -4.375 1.00 0.00 H new ATOM 1323 N ASN A 86 4.764 2.666 -2.917 1.00 0.00 N ATOM 1324 CA ASN A 86 5.461 1.757 -1.965 1.00 0.00 C ATOM 1325 C ASN A 86 4.515 1.341 -0.843 1.00 0.00 C ATOM 1326 O ASN A 86 3.858 2.159 -0.230 1.00 0.00 O ATOM 1327 CB ASN A 86 6.675 2.479 -1.379 1.00 0.00 C ATOM 1328 CG ASN A 86 7.661 2.787 -2.507 1.00 0.00 C ATOM 1329 OD1 ASN A 86 7.425 2.317 -3.701 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 8.655 3.454 -2.300 1.00 0.00 N flip ATOM 0 H ASN A 86 4.246 3.435 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 86 5.786 0.862 -2.495 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.364 3.401 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.152 1.859 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.838 3.821 -1.366 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.307 3.647 -3.060 1.00 0.00 H new ATOM 1480 N THR A 95 9.463 -1.525 -3.833 1.00 0.00 N ATOM 1481 CA THR A 95 8.936 -0.298 -4.494 1.00 0.00 C ATOM 1482 C THR A 95 8.008 -0.688 -5.638 1.00 0.00 C ATOM 1483 O THR A 95 8.143 -1.731 -6.244 1.00 0.00 O ATOM 1484 CB THR A 95 10.093 0.545 -5.036 1.00 0.00 C ATOM 1485 OG1 THR A 95 10.491 1.491 -4.053 1.00 0.00 O ATOM 1486 CG2 THR A 95 9.644 1.280 -6.304 1.00 0.00 C ATOM 0 HA THR A 95 8.381 0.288 -3.761 1.00 0.00 H new ATOM 0 HB THR A 95 10.934 -0.106 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.233 2.030 -4.399 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.469 1.880 -6.688 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.342 0.553 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.802 1.930 -6.069 1.00 0.00 H new ATOM 1494 N VAL A 96 7.063 0.151 -5.927 1.00 0.00 N ATOM 1495 CA VAL A 96 6.101 -0.133 -7.022 1.00 0.00 C ATOM 1496 C VAL A 96 5.831 1.160 -7.793 1.00 0.00 C ATOM 1497 O VAL A 96 5.676 2.206 -7.208 1.00 0.00 O ATOM 1498 CB VAL A 96 4.807 -0.659 -6.403 1.00 0.00 C ATOM 1499 CG1 VAL A 96 3.698 -0.700 -7.456 1.00 0.00 C ATOM 1500 CG2 VAL A 96 5.050 -2.069 -5.858 1.00 0.00 C ATOM 0 H VAL A 96 6.912 1.037 -5.444 1.00 0.00 H new ATOM 0 HA VAL A 96 6.505 -0.877 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 96 4.499 0.003 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.781 -1.076 -7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.526 0.304 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.996 -1.357 -8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.131 -2.451 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.360 -2.725 -6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.832 -2.036 -5.100 1.00 0.00 H new ATOM 1510 N ILE A 97 5.770 1.108 -9.096 1.00 0.00 N ATOM 1511 CA ILE A 97 5.506 2.358 -9.870 1.00 0.00 C ATOM 1512 C ILE A 97 4.123 2.268 -10.508 1.00 0.00 C ATOM 1513 O ILE A 97 3.754 1.258 -11.072 1.00 0.00 O ATOM 1514 CB ILE A 97 6.571 2.534 -10.947 1.00 0.00 C ATOM 1515 CG1 ILE A 97 7.916 2.076 -10.385 1.00 0.00 C ATOM 1516 CG2 ILE A 97 6.667 4.013 -11.334 1.00 0.00 C ATOM 1517 CD1 ILE A 97 9.044 2.717 -11.187 1.00 0.00 C ATOM 0 H ILE A 97 5.890 0.263 -9.655 1.00 0.00 H new ATOM 0 HA ILE A 97 5.540 3.218 -9.202 1.00 0.00 H new ATOM 0 HB ILE A 97 6.309 1.945 -11.826 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.998 2.355 -9.334 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.992 0.990 -10.433 1.00 0.00 H new ATOM 0 HG21 ILE A 97 7.428 4.139 -12.104 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.704 4.352 -11.717 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.937 4.602 -10.457 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.005 2.392 -10.788 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.964 2.416 -12.232 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.970 3.802 -11.116 1.00 0.00 H new ATOM 1529 N TYR A 98 3.347 3.309 -10.390 1.00 0.00 N ATOM 1530 CA TYR A 98 1.962 3.287 -10.945 1.00 0.00 C ATOM 1531 C TYR A 98 1.788 4.343 -12.047 1.00 0.00 C ATOM 1532 O TYR A 98 2.105 5.503 -11.875 1.00 0.00 O ATOM 1533 CB TYR A 98 1.000 3.595 -9.788 1.00 0.00 C ATOM 1534 CG TYR A 98 0.581 2.333 -9.053 1.00 0.00 C ATOM 1535 CD1 TYR A 98 1.220 1.101 -9.278 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -0.465 2.410 -8.131 1.00 0.00 C ATOM 1537 CE1 TYR A 98 0.806 -0.041 -8.579 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -0.875 1.272 -7.436 1.00 0.00 C ATOM 1539 CZ TYR A 98 -0.241 0.046 -7.658 1.00 0.00 C ATOM 1540 OH TYR A 98 -0.647 -1.075 -6.966 1.00 0.00 O ATOM 0 H TYR A 98 3.613 4.180 -9.930 1.00 0.00 H new ATOM 0 HA TYR A 98 1.758 2.311 -11.386 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.479 4.281 -9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.116 4.101 -10.175 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.030 1.035 -9.989 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.959 3.354 -7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.296 -0.988 -8.752 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.685 1.338 -6.724 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.206 -0.806 -6.207 1.00 0.00 H new ATOM 1550 N TRP A 99 1.262 3.937 -13.180 1.00 0.00 N ATOM 1551 CA TRP A 99 1.031 4.892 -14.307 1.00 0.00 C ATOM 1552 C TRP A 99 -0.465 4.992 -14.592 1.00 0.00 C ATOM 1553 O TRP A 99 -1.224 4.097 -14.278 1.00 0.00 O ATOM 1554 CB TRP A 99 1.721 4.391 -15.575 1.00 0.00 C ATOM 1555 CG TRP A 99 3.149 4.805 -15.573 1.00 0.00 C ATOM 1556 CD1 TRP A 99 3.603 6.017 -15.959 1.00 0.00 C ATOM 1557 CD2 TRP A 99 4.315 4.032 -15.184 1.00 0.00 C ATOM 1558 NE1 TRP A 99 4.977 6.037 -15.827 1.00 0.00 N ATOM 1559 CE2 TRP A 99 5.463 4.835 -15.352 1.00 0.00 C ATOM 1560 CE3 TRP A 99 4.485 2.722 -14.705 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 6.739 4.358 -15.054 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 5.766 2.236 -14.406 1.00 0.00 C ATOM 1563 CH2 TRP A 99 6.892 3.053 -14.581 1.00 0.00 C ATOM 0 H TRP A 99 0.981 2.975 -13.371 1.00 0.00 H new ATOM 0 HA TRP A 99 1.435 5.864 -14.024 1.00 0.00 H new ATOM 0 HB2 TRP A 99 1.649 3.305 -15.634 1.00 0.00 H new ATOM 0 HB3 TRP A 99 1.219 4.792 -16.455 1.00 0.00 H new ATOM 0 HD1 TRP A 99 2.992 6.835 -16.312 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.562 6.842 -16.053 1.00 0.00 H new ATOM 0 HE3 TRP A 99 3.624 2.085 -14.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 7.602 4.993 -15.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.886 1.227 -14.039 1.00 0.00 H new ATOM 0 HH2 TRP A 99 7.876 2.674 -14.350 1.00 0.00 H new ATOM 1574 N LEU A 100 -0.894 6.054 -15.213 1.00 0.00 N ATOM 1575 CA LEU A 100 -2.339 6.177 -15.543 1.00 0.00 C ATOM 1576 C LEU A 100 -2.598 5.488 -16.879 1.00 0.00 C ATOM 1577 O LEU A 100 -1.865 5.660 -17.834 1.00 0.00 O ATOM 1578 CB LEU A 100 -2.729 7.654 -15.641 1.00 0.00 C ATOM 1579 CG LEU A 100 -2.781 8.271 -14.244 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -3.082 9.765 -14.361 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -3.894 7.601 -13.433 1.00 0.00 C ATOM 0 H LEU A 100 -0.310 6.838 -15.505 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.935 5.708 -14.760 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.008 8.190 -16.258 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.699 7.752 -16.128 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.822 8.124 -13.747 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.120 10.208 -13.366 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.299 10.249 -14.944 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.043 9.905 -14.857 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.932 8.040 -12.436 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.850 7.753 -13.933 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.692 6.533 -13.352 1.00 0.00 H new ATOM 1593 N ALA A 101 -3.634 4.703 -16.953 1.00 0.00 N ATOM 1594 CA ALA A 101 -3.940 3.998 -18.225 1.00 0.00 C ATOM 1595 C ALA A 101 -5.450 3.987 -18.435 1.00 0.00 C ATOM 1596 O ALA A 101 -6.216 3.847 -17.501 1.00 0.00 O ATOM 1597 CB ALA A 101 -3.428 2.555 -18.145 1.00 0.00 C ATOM 0 H ALA A 101 -4.282 4.519 -16.187 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.454 4.509 -19.056 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.652 2.037 -19.078 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.350 2.560 -17.983 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.917 2.041 -17.318 1.00 0.00 H new ATOM 1603 N GLU A 102 -5.883 4.130 -19.652 1.00 0.00 N ATOM 1604 CA GLU A 102 -7.343 4.125 -19.927 1.00 0.00 C ATOM 1605 C GLU A 102 -7.655 3.015 -20.923 1.00 0.00 C ATOM 1606 O GLU A 102 -7.011 2.890 -21.947 1.00 0.00 O ATOM 1607 CB GLU A 102 -7.749 5.472 -20.528 1.00 0.00 C ATOM 1608 CG GLU A 102 -9.264 5.511 -20.734 1.00 0.00 C ATOM 1609 CD GLU A 102 -9.642 6.796 -21.470 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -10.812 6.962 -21.772 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -8.754 7.595 -21.719 1.00 0.00 O ATOM 0 H GLU A 102 -5.287 4.251 -20.471 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.894 3.958 -19.001 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.441 6.283 -19.868 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.239 5.625 -21.479 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.587 4.642 -21.307 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.774 5.466 -19.772 1.00 0.00 H new ATOM 1619 N VAL A 103 -8.639 2.210 -20.646 1.00 0.00 N ATOM 1620 CA VAL A 103 -8.978 1.123 -21.598 1.00 0.00 C ATOM 1621 C VAL A 103 -9.896 1.680 -22.678 1.00 0.00 C ATOM 1622 O VAL A 103 -11.080 1.856 -22.473 1.00 0.00 O ATOM 1623 CB VAL A 103 -9.679 -0.026 -20.866 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -8.685 -0.756 -19.968 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -10.806 0.525 -20.004 1.00 0.00 C ATOM 0 H VAL A 103 -9.219 2.257 -19.808 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.063 0.740 -22.049 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.082 -0.718 -21.606 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.192 -1.571 -19.452 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.874 -1.159 -20.575 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.278 -0.060 -19.235 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.302 -0.295 -19.485 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.397 1.222 -19.273 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.527 1.043 -20.636 1.00 0.00 H new ATOM 1635 N LYS A 104 -9.359 1.949 -23.833 1.00 0.00 N ATOM 1636 CA LYS A 104 -10.202 2.484 -24.929 1.00 0.00 C ATOM 1637 C LYS A 104 -11.290 1.460 -25.226 1.00 0.00 C ATOM 1638 O LYS A 104 -12.226 1.715 -25.958 1.00 0.00 O ATOM 1639 CB LYS A 104 -9.328 2.727 -26.160 1.00 0.00 C ATOM 1640 CG LYS A 104 -8.620 1.433 -26.555 1.00 0.00 C ATOM 1641 CD LYS A 104 -7.522 1.744 -27.576 1.00 0.00 C ATOM 1642 CE LYS A 104 -6.443 2.609 -26.916 1.00 0.00 C ATOM 1643 NZ LYS A 104 -6.634 4.033 -27.314 1.00 0.00 N ATOM 0 H LYS A 104 -8.374 1.821 -24.063 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.663 3.430 -24.647 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.941 3.084 -26.988 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.594 3.504 -25.948 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.188 0.958 -25.674 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.336 0.728 -26.978 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.084 0.818 -27.949 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.946 2.264 -28.435 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.498 2.513 -25.832 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.453 2.266 -27.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.945 4.283 -28.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.598 4.164 -27.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.492 4.647 -26.486 1.00 0.00 H new ATOM 1657 N ASP A 105 -11.182 0.308 -24.625 1.00 0.00 N ATOM 1658 CA ASP A 105 -12.214 -0.742 -24.821 1.00 0.00 C ATOM 1659 C ASP A 105 -13.107 -0.779 -23.584 1.00 0.00 C ATOM 1660 O ASP A 105 -12.770 -1.379 -22.582 1.00 0.00 O ATOM 1661 CB ASP A 105 -11.537 -2.100 -25.002 1.00 0.00 C ATOM 1662 CG ASP A 105 -11.008 -2.222 -26.430 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -10.335 -3.201 -26.710 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -11.287 -1.338 -27.223 1.00 0.00 O ATOM 0 H ASP A 105 -10.417 0.049 -24.002 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.808 -0.520 -25.707 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.719 -2.208 -24.290 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.246 -2.902 -24.796 1.00 0.00 H new ATOM 1670 N TYR A 106 -14.241 -0.146 -23.642 1.00 0.00 N ATOM 1671 CA TYR A 106 -15.150 -0.151 -22.466 1.00 0.00 C ATOM 1672 C TYR A 106 -15.427 -1.602 -22.083 1.00 0.00 C ATOM 1673 O TYR A 106 -15.648 -1.926 -20.934 1.00 0.00 O ATOM 1674 CB TYR A 106 -16.466 0.539 -22.836 1.00 0.00 C ATOM 1675 CG TYR A 106 -17.229 0.893 -21.581 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -17.978 -0.083 -20.913 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -17.192 2.206 -21.091 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -18.691 0.255 -19.754 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -17.904 2.541 -19.934 1.00 0.00 C ATOM 1680 CZ TYR A 106 -18.654 1.566 -19.265 1.00 0.00 C ATOM 1681 OH TYR A 106 -19.358 1.899 -18.127 1.00 0.00 O ATOM 0 H TYR A 106 -14.578 0.375 -24.452 1.00 0.00 H new ATOM 0 HA TYR A 106 -14.692 0.379 -21.631 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.264 1.439 -23.416 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -17.067 -0.118 -23.465 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.007 -1.095 -21.290 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.614 2.959 -21.606 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.269 -0.497 -19.238 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -17.875 3.553 -19.557 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.095 2.795 -17.830 1.00 0.00 H new ATOM 1691 N ASP A 107 -15.413 -2.476 -23.051 1.00 0.00 N ATOM 1692 CA ASP A 107 -15.674 -3.914 -22.775 1.00 0.00 C ATOM 1693 C ASP A 107 -14.357 -4.695 -22.798 1.00 0.00 C ATOM 1694 O ASP A 107 -14.337 -5.882 -23.056 1.00 0.00 O ATOM 1695 CB ASP A 107 -16.618 -4.476 -23.837 1.00 0.00 C ATOM 1696 CG ASP A 107 -15.947 -4.406 -25.210 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -16.645 -4.578 -26.198 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -14.751 -4.178 -25.253 1.00 0.00 O ATOM 0 H ASP A 107 -15.230 -2.252 -24.029 1.00 0.00 H new ATOM 0 HA ASP A 107 -16.133 -4.012 -21.791 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -16.876 -5.508 -23.599 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -17.549 -3.909 -23.847 1.00 0.00 H new ATOM 1704 N VAL A 108 -13.257 -4.040 -22.538 1.00 0.00 N ATOM 1705 CA VAL A 108 -11.951 -4.754 -22.555 1.00 0.00 C ATOM 1706 C VAL A 108 -12.119 -6.117 -21.894 1.00 0.00 C ATOM 1707 O VAL A 108 -12.968 -6.305 -21.045 1.00 0.00 O ATOM 1708 CB VAL A 108 -10.909 -3.936 -21.795 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -11.424 -3.612 -20.393 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -9.613 -4.739 -21.692 1.00 0.00 C ATOM 0 H VAL A 108 -13.208 -3.046 -22.316 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.618 -4.886 -23.584 1.00 0.00 H new ATOM 0 HB VAL A 108 -10.721 -3.005 -22.329 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.676 -3.028 -19.856 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -12.347 -3.037 -20.468 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -11.617 -4.539 -19.853 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.867 -4.158 -21.150 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -9.804 -5.671 -21.160 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.243 -4.962 -22.693 1.00 0.00 H new ATOM 1720 N GLU A 109 -11.327 -7.075 -22.281 1.00 0.00 N ATOM 1721 CA GLU A 109 -11.459 -8.419 -21.678 1.00 0.00 C ATOM 1722 C GLU A 109 -10.491 -8.542 -20.515 1.00 0.00 C ATOM 1723 O GLU A 109 -9.293 -8.649 -20.687 1.00 0.00 O ATOM 1724 CB GLU A 109 -11.149 -9.491 -22.722 1.00 0.00 C ATOM 1725 CG GLU A 109 -11.448 -10.868 -22.131 1.00 0.00 C ATOM 1726 CD GLU A 109 -12.960 -11.028 -21.955 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -13.694 -10.382 -22.684 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -13.358 -11.789 -21.089 1.00 0.00 O ATOM 0 H GLU A 109 -10.597 -6.982 -22.987 1.00 0.00 H new ATOM 0 HA GLU A 109 -12.480 -8.558 -21.321 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.749 -9.328 -23.617 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.103 -9.431 -23.024 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.062 -11.649 -22.787 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.945 -10.981 -21.171 1.00 0.00 H new ATOM 1736 N ILE A 110 -11.012 -8.532 -19.331 1.00 0.00 N ATOM 1737 CA ILE A 110 -10.144 -8.653 -18.134 1.00 0.00 C ATOM 1738 C ILE A 110 -9.768 -10.117 -17.929 1.00 0.00 C ATOM 1739 O ILE A 110 -10.472 -10.862 -17.276 1.00 0.00 O ATOM 1740 CB ILE A 110 -10.901 -8.156 -16.900 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -11.282 -6.680 -17.068 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -10.012 -8.313 -15.669 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -10.032 -5.818 -17.052 1.00 0.00 C ATOM 0 H ILE A 110 -12.009 -8.445 -19.136 1.00 0.00 H new ATOM 0 HA ILE A 110 -9.244 -8.055 -18.278 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.811 -8.744 -16.780 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -11.820 -6.539 -18.006 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.954 -6.376 -16.266 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.546 -7.960 -14.787 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -9.752 -9.364 -15.540 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.102 -7.727 -15.800 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.310 -4.771 -17.172 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.512 -5.949 -16.103 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.375 -6.115 -17.870 1.00 0.00 H new ATOM 1755 N ARG A 111 -8.663 -10.538 -18.474 1.00 0.00 N ATOM 1756 CA ARG A 111 -8.251 -11.960 -18.293 1.00 0.00 C ATOM 1757 C ARG A 111 -7.207 -12.048 -17.189 1.00 0.00 C ATOM 1758 O ARG A 111 -6.164 -11.431 -17.246 1.00 0.00 O ATOM 1759 CB ARG A 111 -7.679 -12.510 -19.598 1.00 0.00 C ATOM 1760 CG ARG A 111 -8.812 -13.141 -20.402 1.00 0.00 C ATOM 1761 CD ARG A 111 -8.403 -13.263 -21.869 1.00 0.00 C ATOM 1762 NE ARG A 111 -9.543 -13.818 -22.649 1.00 0.00 N ATOM 1763 CZ ARG A 111 -9.502 -13.822 -23.954 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -8.464 -13.335 -24.575 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -10.502 -14.311 -24.633 1.00 0.00 N ATOM 0 H ARG A 111 -8.030 -9.966 -19.033 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.121 -12.554 -18.015 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -7.209 -11.711 -20.171 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.906 -13.250 -19.390 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -9.051 -14.125 -19.999 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.713 -12.534 -20.316 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.118 -12.287 -22.262 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.532 -13.911 -21.964 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.357 -14.195 -22.164 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -7.684 -12.951 -24.041 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -8.432 -13.338 -25.594 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -11.314 -14.689 -24.145 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.473 -14.315 -25.653 1.00 0.00 H new ATOM 1779 N LEU A 112 -7.489 -12.807 -16.174 1.00 0.00 N ATOM 1780 CA LEU A 112 -6.520 -12.923 -15.056 1.00 0.00 C ATOM 1781 C LEU A 112 -5.695 -14.197 -15.232 1.00 0.00 C ATOM 1782 O LEU A 112 -6.171 -15.290 -15.002 1.00 0.00 O ATOM 1783 CB LEU A 112 -7.285 -12.998 -13.736 1.00 0.00 C ATOM 1784 CG LEU A 112 -8.453 -12.008 -13.762 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -9.189 -12.057 -12.423 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -7.925 -10.591 -14.002 1.00 0.00 C ATOM 0 H LEU A 112 -8.346 -13.351 -16.069 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.859 -12.056 -15.051 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.657 -14.010 -13.576 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.619 -12.768 -12.904 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.137 -12.278 -14.566 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.021 -11.353 -12.439 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.569 -13.064 -12.254 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.502 -11.789 -11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.759 -9.890 -14.020 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.239 -10.318 -13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.401 -10.555 -14.957 1.00 0.00 H new ATOM 1798 N SER A 113 -4.459 -14.067 -15.622 1.00 0.00 N ATOM 1799 CA SER A 113 -3.609 -15.276 -15.794 1.00 0.00 C ATOM 1800 C SER A 113 -3.348 -15.887 -14.416 1.00 0.00 C ATOM 1801 O SER A 113 -3.561 -15.253 -13.403 1.00 0.00 O ATOM 1802 CB SER A 113 -2.282 -14.884 -16.441 1.00 0.00 C ATOM 1803 OG SER A 113 -2.534 -14.278 -17.702 1.00 0.00 O ATOM 0 H SER A 113 -4.002 -13.179 -15.829 1.00 0.00 H new ATOM 0 HA SER A 113 -4.114 -15.999 -16.434 1.00 0.00 H new ATOM 0 HB2 SER A 113 -1.739 -14.194 -15.795 1.00 0.00 H new ATOM 0 HB3 SER A 113 -1.652 -15.764 -16.567 1.00 0.00 H new ATOM 0 HG SER A 113 -2.619 -13.308 -17.588 1.00 0.00 H new ATOM 1809 N HIS A 114 -2.893 -17.110 -14.364 1.00 0.00 N ATOM 1810 CA HIS A 114 -2.629 -17.740 -13.038 1.00 0.00 C ATOM 1811 C HIS A 114 -2.004 -16.700 -12.102 1.00 0.00 C ATOM 1812 O HIS A 114 -0.817 -16.444 -12.140 1.00 0.00 O ATOM 1813 CB HIS A 114 -1.674 -18.927 -13.211 1.00 0.00 C ATOM 1814 CG HIS A 114 -0.460 -18.724 -12.348 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -0.308 -18.633 -10.986 1.00 0.00 N flip ATOM 1816 CD2 HIS A 114 0.808 -18.563 -12.884 1.00 0.00 C flip ATOM 1817 CE1 HIS A 114 1.031 -18.416 -10.683 1.00 0.00 C flip ATOM 1818 NE2 HIS A 114 1.661 -18.382 -11.858 1.00 0.00 N flip ATOM 0 H HIS A 114 -2.694 -17.696 -15.175 1.00 0.00 H new ATOM 0 HA HIS A 114 -3.565 -18.098 -12.609 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -2.177 -19.855 -12.937 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -1.379 -19.021 -14.256 1.00 0.00 H new ATOM 0 HD2 HIS A 114 1.065 -18.580 -13.933 1.00 0.00 H new ATOM 0 HE1 HIS A 114 1.469 -18.299 -9.703 1.00 0.00 H new ATOM 0 HE2 HIS A 114 2.665 -18.237 -11.966 1.00 0.00 H new ATOM 1827 N GLU A 115 -2.801 -16.086 -11.270 1.00 0.00 N ATOM 1828 CA GLU A 115 -2.262 -15.056 -10.337 1.00 0.00 C ATOM 1829 C GLU A 115 -3.424 -14.384 -9.607 1.00 0.00 C ATOM 1830 O GLU A 115 -3.530 -14.439 -8.396 1.00 0.00 O ATOM 1831 CB GLU A 115 -1.488 -13.998 -11.129 1.00 0.00 C ATOM 1832 CG GLU A 115 -0.133 -13.758 -10.464 1.00 0.00 C ATOM 1833 CD GLU A 115 0.699 -12.812 -11.332 1.00 0.00 C ATOM 1834 OE1 GLU A 115 0.312 -12.587 -12.467 1.00 0.00 O ATOM 1835 OE2 GLU A 115 1.711 -12.329 -10.849 1.00 0.00 O ATOM 0 H GLU A 115 -3.804 -16.254 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.595 -15.531 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -1.347 -14.329 -12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.056 -13.069 -11.168 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.273 -13.330 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.392 -14.704 -10.331 1.00 0.00 H new ATOM 1843 N HIS A 116 -4.297 -13.751 -10.340 1.00 0.00 N ATOM 1844 CA HIS A 116 -5.458 -13.069 -9.708 1.00 0.00 C ATOM 1845 C HIS A 116 -6.748 -13.792 -10.099 1.00 0.00 C ATOM 1846 O HIS A 116 -6.904 -14.235 -11.220 1.00 0.00 O ATOM 1847 CB HIS A 116 -5.526 -11.622 -10.195 1.00 0.00 C ATOM 1848 CG HIS A 116 -4.366 -10.847 -9.632 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -3.090 -10.927 -10.172 1.00 0.00 N ATOM 1850 CD2 HIS A 116 -4.274 -9.973 -8.577 1.00 0.00 C ATOM 1851 CE1 HIS A 116 -2.292 -10.124 -9.446 1.00 0.00 C ATOM 1852 NE2 HIS A 116 -2.963 -9.521 -8.465 1.00 0.00 N ATOM 0 H HIS A 116 -4.255 -13.677 -11.356 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.342 -13.086 -8.624 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.502 -11.592 -11.284 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.466 -11.167 -9.884 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.092 -9.682 -7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -1.238 -9.985 -9.635 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -2.593 -8.866 -7.777 1.00 0.00 H new ATOM 1861 N GLN A 117 -7.672 -13.916 -9.186 1.00 0.00 N ATOM 1862 CA GLN A 117 -8.948 -14.613 -9.506 1.00 0.00 C ATOM 1863 C GLN A 117 -10.126 -13.679 -9.218 1.00 0.00 C ATOM 1864 O GLN A 117 -11.248 -14.112 -9.052 1.00 0.00 O ATOM 1865 CB GLN A 117 -9.064 -15.870 -8.641 1.00 0.00 C ATOM 1866 CG GLN A 117 -10.151 -16.792 -9.201 1.00 0.00 C ATOM 1867 CD GLN A 117 -10.260 -18.037 -8.322 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -9.410 -18.282 -7.489 1.00 0.00 O ATOM 1869 NE2 GLN A 117 -11.280 -18.835 -8.467 1.00 0.00 N ATOM 0 H GLN A 117 -7.598 -13.564 -8.232 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.961 -14.893 -10.559 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -8.108 -16.394 -8.616 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -9.303 -15.594 -7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.107 -16.269 -9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.911 -17.076 -10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.993 -18.629 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.365 -19.666 -7.881 1.00 0.00 H new ATOM 1878 N ALA A 118 -9.886 -12.399 -9.153 1.00 0.00 N ATOM 1879 CA ALA A 118 -11.003 -11.455 -8.870 1.00 0.00 C ATOM 1880 C ALA A 118 -10.674 -10.070 -9.428 1.00 0.00 C ATOM 1881 O ALA A 118 -9.594 -9.557 -9.235 1.00 0.00 O ATOM 1882 CB ALA A 118 -11.198 -11.340 -7.358 1.00 0.00 C ATOM 0 H ALA A 118 -8.971 -11.968 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.911 -11.832 -9.341 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.015 -10.650 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.437 -12.321 -6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.282 -10.968 -6.900 1.00 0.00 H new ATOM 1888 N TYR A 119 -11.609 -9.452 -10.097 1.00 0.00 N ATOM 1889 CA TYR A 119 -11.360 -8.087 -10.637 1.00 0.00 C ATOM 1890 C TYR A 119 -12.691 -7.337 -10.738 1.00 0.00 C ATOM 1891 O TYR A 119 -13.724 -7.928 -10.988 1.00 0.00 O ATOM 1892 CB TYR A 119 -10.689 -8.183 -12.009 1.00 0.00 C ATOM 1893 CG TYR A 119 -11.681 -8.599 -13.058 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -11.977 -9.952 -13.235 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -12.292 -7.634 -13.865 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -12.890 -10.344 -14.217 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -13.204 -8.024 -14.850 1.00 0.00 C ATOM 1898 CZ TYR A 119 -13.505 -9.381 -15.027 1.00 0.00 C ATOM 1899 OH TYR A 119 -14.405 -9.768 -16.000 1.00 0.00 O ATOM 0 H TYR A 119 -12.534 -9.834 -10.292 1.00 0.00 H new ATOM 0 HA TYR A 119 -10.694 -7.541 -9.969 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -10.254 -7.220 -12.275 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -9.871 -8.902 -11.970 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -11.500 -10.695 -12.613 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -12.059 -6.588 -13.727 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -13.122 -11.390 -14.352 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -13.676 -7.280 -15.474 1.00 0.00 H new ATOM 0 HH TYR A 119 -14.739 -8.976 -16.470 1.00 0.00 H new ATOM 1909 N ARG A 120 -12.686 -6.045 -10.526 1.00 0.00 N ATOM 1910 CA ARG A 120 -13.967 -5.282 -10.590 1.00 0.00 C ATOM 1911 C ARG A 120 -13.719 -3.867 -11.115 1.00 0.00 C ATOM 1912 O ARG A 120 -12.663 -3.302 -10.928 1.00 0.00 O ATOM 1913 CB ARG A 120 -14.552 -5.140 -9.182 1.00 0.00 C ATOM 1914 CG ARG A 120 -14.452 -6.457 -8.422 1.00 0.00 C ATOM 1915 CD ARG A 120 -14.855 -6.224 -6.961 1.00 0.00 C ATOM 1916 NE ARG A 120 -16.340 -6.156 -6.859 1.00 0.00 N ATOM 1917 CZ ARG A 120 -17.046 -7.251 -6.918 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -16.453 -8.402 -7.080 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -18.346 -7.196 -6.820 1.00 0.00 N ATOM 0 H ARG A 120 -11.857 -5.490 -10.313 1.00 0.00 H new ATOM 0 HA ARG A 120 -14.647 -5.822 -11.249 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.020 -4.359 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -15.595 -4.829 -9.246 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -15.102 -7.204 -8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -13.435 -6.845 -8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -14.474 -7.030 -6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -14.412 -5.298 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 120 -16.803 -5.255 -6.743 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -15.437 -8.445 -7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -17.005 -9.258 -7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -18.811 -6.296 -6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -18.898 -8.053 -6.866 1.00 0.00 H new ATOM 1933 N TRP A 121 -14.713 -3.272 -11.717 1.00 0.00 N ATOM 1934 CA TRP A 121 -14.572 -1.867 -12.196 1.00 0.00 C ATOM 1935 C TRP A 121 -15.350 -0.981 -11.218 1.00 0.00 C ATOM 1936 O TRP A 121 -16.566 -0.975 -11.213 1.00 0.00 O ATOM 1937 CB TRP A 121 -15.158 -1.741 -13.606 1.00 0.00 C ATOM 1938 CG TRP A 121 -14.171 -2.263 -14.605 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -14.195 -3.499 -15.155 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -13.018 -1.584 -15.177 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -13.127 -3.620 -16.028 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -12.373 -2.467 -16.075 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -12.476 -0.303 -15.004 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -11.226 -2.085 -16.777 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -11.324 0.080 -15.707 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -10.701 -0.808 -16.590 1.00 0.00 C ATOM 0 H TRP A 121 -15.621 -3.701 -11.898 1.00 0.00 H new ATOM 0 HA TRP A 121 -13.525 -1.568 -12.238 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -16.091 -2.300 -13.675 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -15.394 -0.699 -13.822 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -14.927 -4.265 -14.947 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -12.923 -4.460 -16.570 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -12.948 0.393 -14.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -10.751 -2.774 -17.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -10.915 1.069 -15.565 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -9.814 -0.504 -17.126 1.00 0.00 H new ATOM 1957 N LEU A 122 -14.669 -0.269 -10.357 1.00 0.00 N ATOM 1958 CA LEU A 122 -15.391 0.563 -9.348 1.00 0.00 C ATOM 1959 C LEU A 122 -14.929 2.019 -9.399 1.00 0.00 C ATOM 1960 O LEU A 122 -13.988 2.366 -10.082 1.00 0.00 O ATOM 1961 CB LEU A 122 -15.118 0.021 -7.942 1.00 0.00 C ATOM 1962 CG LEU A 122 -14.638 -1.431 -8.003 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -13.261 -1.530 -7.351 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -15.625 -2.332 -7.256 1.00 0.00 C ATOM 0 H LEU A 122 -13.651 -0.228 -10.309 1.00 0.00 H new ATOM 0 HA LEU A 122 -16.455 0.517 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -14.366 0.637 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -16.025 0.084 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 122 -14.577 -1.753 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.913 -2.562 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -12.559 -0.889 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.327 -1.209 -6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -15.281 -3.365 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -15.690 -2.016 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -16.609 -2.257 -7.719 1.00 0.00 H new ATOM 1976 N GLY A 123 -15.596 2.871 -8.662 1.00 0.00 N ATOM 1977 CA GLY A 123 -15.224 4.315 -8.639 1.00 0.00 C ATOM 1978 C GLY A 123 -14.080 4.550 -7.646 1.00 0.00 C ATOM 1979 O GLY A 123 -13.568 3.632 -7.038 1.00 0.00 O ATOM 0 H GLY A 123 -16.389 2.624 -8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -14.922 4.636 -9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -16.089 4.917 -8.358 1.00 0.00 H new ATOM 1983 N LEU A 124 -13.678 5.782 -7.489 1.00 0.00 N ATOM 1984 CA LEU A 124 -12.566 6.110 -6.548 1.00 0.00 C ATOM 1985 C LEU A 124 -12.899 5.654 -5.125 1.00 0.00 C ATOM 1986 O LEU A 124 -12.094 5.037 -4.458 1.00 0.00 O ATOM 1987 CB LEU A 124 -12.356 7.625 -6.553 1.00 0.00 C ATOM 1988 CG LEU A 124 -11.409 8.034 -5.420 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -10.144 7.176 -5.451 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -11.021 9.502 -5.598 1.00 0.00 C ATOM 0 H LEU A 124 -14.076 6.584 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 124 -11.663 5.592 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.944 7.939 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -13.314 8.132 -6.437 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.914 7.890 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.480 7.477 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -10.413 6.127 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.636 7.311 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.347 9.800 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -10.522 9.633 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -11.917 10.121 -5.568 1.00 0.00 H new ATOM 2002 N GLU A 125 -14.065 5.963 -4.645 1.00 0.00 N ATOM 2003 CA GLU A 125 -14.412 5.556 -3.255 1.00 0.00 C ATOM 2004 C GLU A 125 -14.336 4.031 -3.119 1.00 0.00 C ATOM 2005 O GLU A 125 -13.653 3.517 -2.258 1.00 0.00 O ATOM 2006 CB GLU A 125 -15.819 6.053 -2.915 1.00 0.00 C ATOM 2007 CG GLU A 125 -16.867 5.125 -3.529 1.00 0.00 C ATOM 2008 CD GLU A 125 -18.255 5.744 -3.366 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -19.202 5.164 -3.870 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -18.347 6.788 -2.740 1.00 0.00 O ATOM 0 H GLU A 125 -14.790 6.475 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 125 -13.700 6.000 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -15.947 6.094 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -15.955 7.067 -3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -16.651 4.964 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -16.833 4.149 -3.044 1.00 0.00 H new ATOM 2018 N GLU A 126 -15.011 3.296 -3.962 1.00 0.00 N ATOM 2019 CA GLU A 126 -14.943 1.809 -3.856 1.00 0.00 C ATOM 2020 C GLU A 126 -13.515 1.348 -4.128 1.00 0.00 C ATOM 2021 O GLU A 126 -13.037 0.395 -3.553 1.00 0.00 O ATOM 2022 CB GLU A 126 -15.886 1.169 -4.870 1.00 0.00 C ATOM 2023 CG GLU A 126 -15.881 -0.342 -4.669 1.00 0.00 C ATOM 2024 CD GLU A 126 -17.142 -0.940 -5.291 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -17.394 -2.110 -5.060 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -17.840 -0.217 -5.985 1.00 0.00 O ATOM 0 H GLU A 126 -15.601 3.656 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 126 -15.242 1.507 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -16.895 1.562 -4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -15.571 1.415 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -14.994 -0.778 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -15.839 -0.579 -3.606 1.00 0.00 H new ATOM 2034 N ALA A 127 -12.825 2.019 -4.997 1.00 0.00 N ATOM 2035 CA ALA A 127 -11.426 1.618 -5.280 1.00 0.00 C ATOM 2036 C ALA A 127 -10.575 1.953 -4.055 1.00 0.00 C ATOM 2037 O ALA A 127 -9.567 1.329 -3.788 1.00 0.00 O ATOM 2038 CB ALA A 127 -10.912 2.393 -6.491 1.00 0.00 C ATOM 0 H ALA A 127 -13.166 2.824 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 127 -11.372 0.550 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -9.883 2.100 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.536 2.171 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -10.949 3.462 -6.281 1.00 0.00 H new ATOM 2044 N CYS A 128 -10.979 2.949 -3.315 1.00 0.00 N ATOM 2045 CA CYS A 128 -10.211 3.357 -2.108 1.00 0.00 C ATOM 2046 C CYS A 128 -10.319 2.287 -1.017 1.00 0.00 C ATOM 2047 O CYS A 128 -9.349 1.959 -0.365 1.00 0.00 O ATOM 2048 CB CYS A 128 -10.773 4.677 -1.582 1.00 0.00 C ATOM 2049 SG CYS A 128 -10.815 4.639 0.227 1.00 0.00 S ATOM 0 H CYS A 128 -11.816 3.502 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 128 -9.162 3.477 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -10.157 5.509 -1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -11.776 4.840 -1.976 1.00 0.00 H new ATOM 0 HG CYS A 128 -11.908 4.058 0.624 1.00 0.00 H new ATOM 2055 N GLN A 129 -11.487 1.743 -0.803 1.00 0.00 N ATOM 2056 CA GLN A 129 -11.627 0.703 0.262 1.00 0.00 C ATOM 2057 C GLN A 129 -10.823 -0.533 -0.128 1.00 0.00 C ATOM 2058 O GLN A 129 -10.086 -1.085 0.665 1.00 0.00 O ATOM 2059 CB GLN A 129 -13.097 0.292 0.441 1.00 0.00 C ATOM 2060 CG GLN A 129 -13.931 0.729 -0.763 1.00 0.00 C ATOM 2061 CD GLN A 129 -14.626 2.055 -0.451 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -13.921 3.064 -0.019 1.00 0.00 O flip ATOM 2063 NE2 GLN A 129 -15.826 2.174 -0.599 1.00 0.00 N flip ATOM 0 H GLN A 129 -12.342 1.969 -1.312 1.00 0.00 H new ATOM 0 HA GLN A 129 -11.258 1.123 1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -13.165 -0.789 0.564 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -13.497 0.742 1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -13.293 0.839 -1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -14.672 -0.034 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -16.379 1.386 -0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -16.281 3.062 -0.386 1.00 0.00 H new ATOM 2072 N LEU A 130 -10.973 -0.979 -1.340 1.00 0.00 N ATOM 2073 CA LEU A 130 -10.234 -2.188 -1.783 1.00 0.00 C ATOM 2074 C LEU A 130 -8.724 -1.918 -1.747 1.00 0.00 C ATOM 2075 O LEU A 130 -7.950 -2.743 -1.308 1.00 0.00 O ATOM 2076 CB LEU A 130 -10.662 -2.533 -3.208 1.00 0.00 C ATOM 2077 CG LEU A 130 -12.187 -2.631 -3.287 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -12.595 -2.925 -4.726 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -12.690 -3.761 -2.393 1.00 0.00 C ATOM 0 H LEU A 130 -11.577 -0.557 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 130 -10.459 -3.021 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -10.302 -1.771 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -10.212 -3.478 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 130 -12.620 -1.688 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -13.681 -2.996 -4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -12.246 -2.122 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -12.151 -3.868 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -13.776 -3.820 -2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -12.255 -4.705 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -12.398 -3.566 -1.361 1.00 0.00 H new ATOM 2091 N ALA A 131 -8.298 -0.768 -2.198 1.00 0.00 N ATOM 2092 CA ALA A 131 -6.839 -0.459 -2.180 1.00 0.00 C ATOM 2093 C ALA A 131 -6.326 -0.518 -0.736 1.00 0.00 C ATOM 2094 O ALA A 131 -5.391 -1.226 -0.428 1.00 0.00 O ATOM 2095 CB ALA A 131 -6.624 0.941 -2.751 1.00 0.00 C ATOM 0 H ALA A 131 -8.895 -0.032 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.294 -1.186 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.560 1.178 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -6.996 0.977 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -7.162 1.668 -2.143 1.00 0.00 H new ATOM 2101 N GLN A 132 -6.955 0.204 0.152 1.00 0.00 N ATOM 2102 CA GLN A 132 -6.543 0.184 1.589 1.00 0.00 C ATOM 2103 C GLN A 132 -5.079 0.627 1.770 1.00 0.00 C ATOM 2104 O GLN A 132 -4.608 0.759 2.883 1.00 0.00 O ATOM 2105 CB GLN A 132 -6.738 -1.234 2.143 1.00 0.00 C ATOM 2106 CG GLN A 132 -5.388 -1.869 2.484 1.00 0.00 C ATOM 2107 CD GLN A 132 -5.598 -3.329 2.885 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -5.953 -3.616 4.010 1.00 0.00 O ATOM 2109 NE2 GLN A 132 -5.394 -4.270 2.004 1.00 0.00 N ATOM 0 H GLN A 132 -7.745 0.814 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 132 -7.165 0.891 2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -7.365 -1.199 3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -7.260 -1.848 1.409 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -4.719 -1.809 1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -4.912 -1.322 3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -5.096 -4.028 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -5.533 -5.247 2.260 1.00 0.00 H new ATOM 2118 N PHE A 133 -4.352 0.872 0.711 1.00 0.00 N ATOM 2119 CA PHE A 133 -2.931 1.311 0.888 1.00 0.00 C ATOM 2120 C PHE A 133 -2.855 2.839 0.760 1.00 0.00 C ATOM 2121 O PHE A 133 -3.511 3.433 -0.071 1.00 0.00 O ATOM 2122 CB PHE A 133 -2.043 0.661 -0.175 1.00 0.00 C ATOM 2123 CG PHE A 133 -2.513 -0.750 -0.449 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -2.480 -1.704 0.575 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -2.974 -1.107 -1.725 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -2.912 -3.013 0.325 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -3.403 -2.415 -1.973 1.00 0.00 C ATOM 2128 CZ PHE A 133 -3.371 -3.368 -0.948 1.00 0.00 C ATOM 0 H PHE A 133 -4.671 0.790 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 133 -2.580 1.006 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -2.072 1.248 -1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -1.007 0.649 0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -2.122 -1.431 1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -2.998 -0.372 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -2.891 -3.749 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -3.759 -2.690 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.701 -4.378 -1.140 1.00 0.00 H new ATOM 2138 N LYS A 134 -2.077 3.482 1.594 1.00 0.00 N ATOM 2139 CA LYS A 134 -1.985 4.974 1.540 1.00 0.00 C ATOM 2140 C LYS A 134 -1.444 5.447 0.186 1.00 0.00 C ATOM 2141 O LYS A 134 -2.046 6.271 -0.473 1.00 0.00 O ATOM 2142 CB LYS A 134 -1.048 5.462 2.648 1.00 0.00 C ATOM 2143 CG LYS A 134 -1.100 6.988 2.726 1.00 0.00 C ATOM 2144 CD LYS A 134 -0.117 7.479 3.788 1.00 0.00 C ATOM 2145 CE LYS A 134 -0.312 8.980 4.012 1.00 0.00 C ATOM 2146 NZ LYS A 134 0.227 9.357 5.349 1.00 0.00 N ATOM 0 H LYS A 134 -1.501 3.039 2.310 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.986 5.384 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.342 5.028 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -0.029 5.132 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -0.851 7.421 1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -2.110 7.316 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -0.274 6.938 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 134 0.907 7.278 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 134 0.197 9.544 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -1.370 9.233 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 0.095 10.377 5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -0.278 8.828 6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 1.241 9.129 5.391 1.00 0.00 H new ATOM 2160 N GLU A 135 -0.317 4.943 -0.241 1.00 0.00 N ATOM 2161 CA GLU A 135 0.237 5.387 -1.553 1.00 0.00 C ATOM 2162 C GLU A 135 -0.747 5.016 -2.656 1.00 0.00 C ATOM 2163 O GLU A 135 -0.939 5.746 -3.607 1.00 0.00 O ATOM 2164 CB GLU A 135 1.576 4.693 -1.808 1.00 0.00 C ATOM 2165 CG GLU A 135 2.580 5.093 -0.725 1.00 0.00 C ATOM 2166 CD GLU A 135 2.845 6.598 -0.807 1.00 0.00 C ATOM 2167 OE1 GLU A 135 2.551 7.174 -1.841 1.00 0.00 O ATOM 2168 OE2 GLU A 135 3.334 7.146 0.166 1.00 0.00 O ATOM 0 H GLU A 135 0.240 4.249 0.257 1.00 0.00 H new ATOM 0 HA GLU A 135 0.391 6.466 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 135 1.441 3.611 -1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.958 4.969 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.191 4.834 0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.511 4.541 -0.855 1.00 0.00 H new ATOM 2176 N MET A 136 -1.376 3.885 -2.528 1.00 0.00 N ATOM 2177 CA MET A 136 -2.353 3.445 -3.555 1.00 0.00 C ATOM 2178 C MET A 136 -3.580 4.361 -3.539 1.00 0.00 C ATOM 2179 O MET A 136 -4.043 4.805 -4.570 1.00 0.00 O ATOM 2180 CB MET A 136 -2.771 2.020 -3.228 1.00 0.00 C ATOM 2181 CG MET A 136 -3.221 1.294 -4.485 1.00 0.00 C ATOM 2182 SD MET A 136 -3.972 2.458 -5.640 1.00 0.00 S ATOM 2183 CE MET A 136 -4.164 1.259 -6.968 1.00 0.00 C ATOM 0 H MET A 136 -1.253 3.240 -1.747 1.00 0.00 H new ATOM 0 HA MET A 136 -1.902 3.491 -4.546 1.00 0.00 H new ATOM 0 HB2 MET A 136 -1.937 1.486 -2.772 1.00 0.00 H new ATOM 0 HB3 MET A 136 -3.580 2.031 -2.498 1.00 0.00 H new ATOM 0 HG2 MET A 136 -2.369 0.802 -4.955 1.00 0.00 H new ATOM 0 HG3 MET A 136 -3.937 0.513 -4.227 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.635 1.610 -7.854 1.00 0.00 H new ATOM 0 HE2 MET A 136 -3.751 0.300 -6.655 1.00 0.00 H new ATOM 0 HE3 MET A 136 -5.222 1.140 -7.200 1.00 0.00 H new ATOM 2193 N LYS A 137 -4.112 4.651 -2.382 1.00 0.00 N ATOM 2194 CA LYS A 137 -5.305 5.539 -2.332 1.00 0.00 C ATOM 2195 C LYS A 137 -4.953 6.871 -2.986 1.00 0.00 C ATOM 2196 O LYS A 137 -5.684 7.382 -3.811 1.00 0.00 O ATOM 2197 CB LYS A 137 -5.717 5.775 -0.878 1.00 0.00 C ATOM 2198 CG LYS A 137 -7.001 6.606 -0.848 1.00 0.00 C ATOM 2199 CD LYS A 137 -7.388 6.906 0.600 1.00 0.00 C ATOM 2200 CE LYS A 137 -8.741 7.618 0.623 1.00 0.00 C ATOM 2201 NZ LYS A 137 -9.115 7.934 2.030 1.00 0.00 N ATOM 0 H LYS A 137 -3.776 4.315 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.134 5.071 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.874 4.822 -0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.922 6.293 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.856 7.537 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.807 6.066 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -7.441 5.981 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -6.628 7.530 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -8.691 8.534 0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -9.503 6.987 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -10.035 8.418 2.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -9.179 7.053 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -8.392 8.552 2.451 1.00 0.00 H new ATOM 2215 N ALA A 138 -3.828 7.430 -2.639 1.00 0.00 N ATOM 2216 CA ALA A 138 -3.422 8.717 -3.260 1.00 0.00 C ATOM 2217 C ALA A 138 -3.147 8.477 -4.742 1.00 0.00 C ATOM 2218 O ALA A 138 -3.427 9.311 -5.579 1.00 0.00 O ATOM 2219 CB ALA A 138 -2.164 9.251 -2.579 1.00 0.00 C ATOM 0 H ALA A 138 -3.175 7.051 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 138 -4.219 9.452 -3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -1.873 10.195 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -2.364 9.411 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.355 8.528 -2.690 1.00 0.00 H new ATOM 2225 N ALA A 139 -2.616 7.331 -5.079 1.00 0.00 N ATOM 2226 CA ALA A 139 -2.350 7.036 -6.513 1.00 0.00 C ATOM 2227 C ALA A 139 -3.675 7.105 -7.267 1.00 0.00 C ATOM 2228 O ALA A 139 -3.772 7.688 -8.327 1.00 0.00 O ATOM 2229 CB ALA A 139 -1.758 5.631 -6.643 1.00 0.00 C ATOM 0 H ALA A 139 -2.357 6.592 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 139 -1.644 7.758 -6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.563 5.414 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.825 5.576 -6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -2.464 4.901 -6.247 1.00 0.00 H new ATOM 2235 N LEU A 140 -4.704 6.528 -6.708 1.00 0.00 N ATOM 2236 CA LEU A 140 -6.037 6.572 -7.367 1.00 0.00 C ATOM 2237 C LEU A 140 -6.595 7.991 -7.256 1.00 0.00 C ATOM 2238 O LEU A 140 -7.133 8.538 -8.199 1.00 0.00 O ATOM 2239 CB LEU A 140 -6.983 5.607 -6.654 1.00 0.00 C ATOM 2240 CG LEU A 140 -6.603 4.166 -6.998 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -7.080 3.237 -5.882 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -7.274 3.761 -8.311 1.00 0.00 C ATOM 0 H LEU A 140 -4.677 6.027 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 140 -5.943 6.287 -8.415 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -6.930 5.760 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.012 5.803 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 140 -5.521 4.091 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -6.811 2.209 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -6.607 3.524 -4.943 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -8.163 3.314 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -7.003 2.734 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.356 3.835 -8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.941 4.424 -9.109 1.00 0.00 H new ATOM 2254 N GLN A 141 -6.465 8.590 -6.103 1.00 0.00 N ATOM 2255 CA GLN A 141 -6.979 9.972 -5.913 1.00 0.00 C ATOM 2256 C GLN A 141 -6.128 10.946 -6.727 1.00 0.00 C ATOM 2257 O GLN A 141 -6.642 11.750 -7.480 1.00 0.00 O ATOM 2258 CB GLN A 141 -6.920 10.326 -4.424 1.00 0.00 C ATOM 2259 CG GLN A 141 -6.364 11.741 -4.232 1.00 0.00 C ATOM 2260 CD GLN A 141 -6.492 12.135 -2.762 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -7.204 11.390 -1.961 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -5.940 13.130 -2.336 1.00 0.00 N flip ATOM 0 H GLN A 141 -6.022 8.177 -5.282 1.00 0.00 H new ATOM 0 HA GLN A 141 -8.012 10.039 -6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -7.917 10.258 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -6.292 9.607 -3.898 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.320 11.780 -4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -6.909 12.447 -4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -5.384 13.712 -2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -6.033 13.383 -1.352 1.00 0.00 H new ATOM 2271 N GLU A 142 -4.832 10.874 -6.598 1.00 0.00 N ATOM 2272 CA GLU A 142 -3.962 11.792 -7.384 1.00 0.00 C ATOM 2273 C GLU A 142 -4.093 11.433 -8.861 1.00 0.00 C ATOM 2274 O GLU A 142 -4.115 12.290 -9.721 1.00 0.00 O ATOM 2275 CB GLU A 142 -2.506 11.636 -6.939 1.00 0.00 C ATOM 2276 CG GLU A 142 -2.368 12.079 -5.482 1.00 0.00 C ATOM 2277 CD GLU A 142 -0.902 11.998 -5.059 1.00 0.00 C ATOM 2278 OE1 GLU A 142 -0.112 11.480 -5.829 1.00 0.00 O ATOM 2279 OE2 GLU A 142 -0.594 12.453 -3.970 1.00 0.00 O ATOM 0 H GLU A 142 -4.340 10.223 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 142 -4.267 12.826 -7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -2.191 10.598 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -1.854 12.234 -7.575 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -2.735 13.099 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -2.978 11.445 -4.839 1.00 0.00 H new ATOM 2287 N GLY A 143 -4.197 10.167 -9.161 1.00 0.00 N ATOM 2288 CA GLY A 143 -4.352 9.757 -10.582 1.00 0.00 C ATOM 2289 C GLY A 143 -5.635 10.379 -11.123 1.00 0.00 C ATOM 2290 O GLY A 143 -5.683 10.865 -12.233 1.00 0.00 O ATOM 0 H GLY A 143 -4.181 9.403 -8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.494 10.086 -11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.394 8.671 -10.661 1.00 0.00 H new ATOM 2294 N HIS A 144 -6.672 10.381 -10.330 1.00 0.00 N ATOM 2295 CA HIS A 144 -7.961 10.981 -10.771 1.00 0.00 C ATOM 2296 C HIS A 144 -7.760 12.476 -11.032 1.00 0.00 C ATOM 2297 O HIS A 144 -8.353 13.046 -11.928 1.00 0.00 O ATOM 2298 CB HIS A 144 -9.006 10.802 -9.665 1.00 0.00 C ATOM 2299 CG HIS A 144 -10.093 9.876 -10.135 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -10.576 8.839 -9.347 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -10.807 9.823 -11.305 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -11.538 8.213 -10.051 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -11.715 8.772 -11.246 1.00 0.00 N ATOM 0 H HIS A 144 -6.680 9.989 -9.388 1.00 0.00 H new ATOM 0 HA HIS A 144 -8.300 10.490 -11.683 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -8.535 10.399 -8.769 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -9.431 11.768 -9.394 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -10.260 8.596 -8.408 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -10.683 10.494 -12.142 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -12.097 7.362 -9.691 1.00 0.00 H new ATOM 2312 N GLN A 145 -6.936 13.113 -10.247 1.00 0.00 N ATOM 2313 CA GLN A 145 -6.700 14.573 -10.430 1.00 0.00 C ATOM 2314 C GLN A 145 -6.222 14.863 -11.852 1.00 0.00 C ATOM 2315 O GLN A 145 -6.733 15.738 -12.522 1.00 0.00 O ATOM 2316 CB GLN A 145 -5.630 15.037 -9.441 1.00 0.00 C ATOM 2317 CG GLN A 145 -5.322 16.512 -9.690 1.00 0.00 C ATOM 2318 CD GLN A 145 -4.391 17.035 -8.596 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -4.171 16.373 -7.601 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -3.826 18.202 -8.741 1.00 0.00 N ATOM 0 H GLN A 145 -6.414 12.683 -9.483 1.00 0.00 H new ATOM 0 HA GLN A 145 -7.635 15.105 -10.254 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -5.977 14.893 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -4.726 14.440 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -4.856 16.636 -10.668 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -6.246 17.090 -9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -4.011 18.758 -9.576 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -3.200 18.559 -8.019 1.00 0.00 H new ATOM 2329 N PHE A 146 -5.243 14.145 -12.317 1.00 0.00 N ATOM 2330 CA PHE A 146 -4.732 14.392 -13.693 1.00 0.00 C ATOM 2331 C PHE A 146 -5.851 14.156 -14.707 1.00 0.00 C ATOM 2332 O PHE A 146 -6.019 14.913 -15.640 1.00 0.00 O ATOM 2333 CB PHE A 146 -3.574 13.440 -13.995 1.00 0.00 C ATOM 2334 CG PHE A 146 -2.932 13.828 -15.308 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -3.522 13.446 -16.520 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -1.745 14.572 -15.315 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -2.924 13.804 -17.731 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -1.150 14.929 -16.533 1.00 0.00 C ATOM 2339 CZ PHE A 146 -1.744 14.541 -17.740 1.00 0.00 C ATOM 0 H PHE A 146 -4.773 13.398 -11.806 1.00 0.00 H new ATOM 0 HA PHE A 146 -4.384 15.423 -13.762 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -2.838 13.480 -13.192 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -3.937 12.413 -14.045 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -4.439 12.875 -16.518 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -1.289 14.870 -14.383 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -3.380 13.507 -18.664 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -0.235 15.502 -16.540 1.00 0.00 H new ATOM 0 HZ PHE A 146 -1.286 14.814 -18.679 1.00 0.00 H new ATOM 2349 N LEU A 147 -6.617 13.109 -14.534 1.00 0.00 N ATOM 2350 CA LEU A 147 -7.714 12.827 -15.501 1.00 0.00 C ATOM 2351 C LEU A 147 -8.568 14.083 -15.674 1.00 0.00 C ATOM 2352 O LEU A 147 -8.937 14.447 -16.772 1.00 0.00 O ATOM 2353 CB LEU A 147 -8.578 11.680 -14.973 1.00 0.00 C ATOM 2354 CG LEU A 147 -7.690 10.460 -14.723 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -8.552 9.271 -14.302 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -6.932 10.106 -16.004 1.00 0.00 C ATOM 0 H LEU A 147 -6.529 12.441 -13.768 1.00 0.00 H new ATOM 0 HA LEU A 147 -7.291 12.541 -16.464 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.076 11.978 -14.050 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.359 11.435 -15.693 1.00 0.00 H new ATOM 0 HG LEU A 147 -6.980 10.692 -13.930 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -7.915 8.404 -14.125 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.091 9.518 -13.387 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -9.266 9.041 -15.093 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.300 9.237 -15.824 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -7.644 9.879 -16.797 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -6.311 10.950 -16.304 1.00 0.00 H new ATOM 2368 N CYS A 148 -8.869 14.759 -14.602 1.00 0.00 N ATOM 2369 CA CYS A 148 -9.682 16.000 -14.714 1.00 0.00 C ATOM 2370 C CYS A 148 -8.907 17.022 -15.548 1.00 0.00 C ATOM 2371 O CYS A 148 -9.479 17.879 -16.190 1.00 0.00 O ATOM 2372 CB CYS A 148 -9.947 16.570 -13.320 1.00 0.00 C ATOM 2373 SG CYS A 148 -10.993 15.423 -12.389 1.00 0.00 S ATOM 0 H CYS A 148 -8.588 14.506 -13.655 1.00 0.00 H new ATOM 0 HA CYS A 148 -10.635 15.776 -15.193 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -9.005 16.728 -12.795 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -10.435 17.542 -13.399 1.00 0.00 H new ATOM 0 HG CYS A 148 -10.296 14.380 -12.048 1.00 0.00 H new ATOM 2379 N SER A 149 -7.606 16.939 -15.533 1.00 0.00 N ATOM 2380 CA SER A 149 -6.782 17.903 -16.313 1.00 0.00 C ATOM 2381 C SER A 149 -6.751 17.492 -17.785 1.00 0.00 C ATOM 2382 O SER A 149 -6.199 18.182 -18.621 1.00 0.00 O ATOM 2383 CB SER A 149 -5.359 17.907 -15.763 1.00 0.00 C ATOM 2384 OG SER A 149 -5.385 18.295 -14.395 1.00 0.00 O ATOM 0 H SER A 149 -7.076 16.241 -15.011 1.00 0.00 H new ATOM 0 HA SER A 149 -7.217 18.899 -16.227 1.00 0.00 H new ATOM 0 HB2 SER A 149 -4.915 16.917 -15.864 1.00 0.00 H new ATOM 0 HB3 SER A 149 -4.737 18.595 -16.336 1.00 0.00 H new ATOM 0 HG SER A 149 -4.472 18.297 -14.038 1.00 0.00 H new ATOM 2390 N ILE A 150 -7.333 16.374 -18.114 1.00 0.00 N ATOM 2391 CA ILE A 150 -7.328 15.928 -19.529 1.00 0.00 C ATOM 2392 C ILE A 150 -8.654 16.302 -20.169 1.00 0.00 C ATOM 2393 O ILE A 150 -9.256 17.308 -19.852 1.00 0.00 O ATOM 2394 CB ILE A 150 -7.164 14.411 -19.579 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -6.121 13.976 -18.556 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -6.700 13.988 -20.970 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -5.789 12.500 -18.783 1.00 0.00 C ATOM 0 H ILE A 150 -7.811 15.751 -17.463 1.00 0.00 H new ATOM 0 HA ILE A 150 -6.506 16.406 -20.063 1.00 0.00 H new ATOM 0 HB ILE A 150 -8.122 13.942 -19.353 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -5.221 14.584 -18.653 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -6.499 14.126 -17.545 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -6.584 12.905 -21.001 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -7.440 14.295 -21.709 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -5.744 14.462 -21.194 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -5.043 12.179 -18.056 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -6.692 11.902 -18.665 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -5.395 12.367 -19.790 1.00 0.00 H new ATOM 2409 N GLU A 151 -9.119 15.483 -21.057 1.00 0.00 N ATOM 2410 CA GLU A 151 -10.419 15.760 -21.717 1.00 0.00 C ATOM 2411 C GLU A 151 -11.508 15.123 -20.875 1.00 0.00 C ATOM 2412 O GLU A 151 -12.652 15.011 -21.267 1.00 0.00 O ATOM 2413 CB GLU A 151 -10.412 15.165 -23.125 1.00 0.00 C ATOM 2414 CG GLU A 151 -9.141 15.626 -23.836 1.00 0.00 C ATOM 2415 CD GLU A 151 -9.286 15.425 -25.345 1.00 0.00 C ATOM 2416 OE1 GLU A 151 -10.240 14.784 -25.749 1.00 0.00 O ATOM 2417 OE2 GLU A 151 -8.439 15.921 -26.072 1.00 0.00 O ATOM 0 H GLU A 151 -8.654 14.627 -21.358 1.00 0.00 H new ATOM 0 HA GLU A 151 -10.594 16.832 -21.802 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -10.446 14.077 -23.077 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -11.294 15.488 -23.678 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -8.952 16.677 -23.617 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -8.283 15.064 -23.466 1.00 0.00 H new ATOM 2425 N ALA A 152 -11.131 14.705 -19.705 1.00 0.00 N ATOM 2426 CA ALA A 152 -12.099 14.060 -18.777 1.00 0.00 C ATOM 2427 C ALA A 152 -13.112 15.096 -18.290 1.00 0.00 C ATOM 2428 O ALA A 152 -14.269 14.793 -18.072 1.00 0.00 O ATOM 2429 CB ALA A 152 -11.344 13.487 -17.575 1.00 0.00 C ATOM 0 H ALA A 152 -10.180 14.783 -19.345 1.00 0.00 H new ATOM 0 HA ALA A 152 -12.622 13.259 -19.299 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -12.051 13.014 -16.893 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -10.621 12.748 -17.919 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -10.822 14.291 -17.056 1.00 0.00 H new ATOM 2435 N LEU A 153 -12.683 16.317 -18.111 1.00 0.00 N ATOM 2436 CA LEU A 153 -13.619 17.374 -17.629 1.00 0.00 C ATOM 2437 C LEU A 153 -14.273 18.063 -18.827 1.00 0.00 C ATOM 2438 O LEU A 153 -14.010 17.710 -19.975 1.00 0.00 O ATOM 2439 CB LEU A 153 -12.838 18.403 -16.806 1.00 0.00 C ATOM 2440 CG LEU A 153 -13.809 19.419 -16.203 1.00 0.00 C ATOM 2441 CD1 LEU A 153 -14.669 18.743 -15.134 1.00 0.00 C ATOM 2442 CD2 LEU A 153 -13.016 20.562 -15.565 1.00 0.00 C ATOM 0 H LEU A 153 -11.726 16.628 -18.278 1.00 0.00 H new ATOM 0 HA LEU A 153 -14.393 16.923 -17.008 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -12.280 17.903 -16.014 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -12.109 18.911 -17.437 1.00 0.00 H new ATOM 0 HG LEU A 153 -14.453 19.811 -16.990 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -15.359 19.471 -14.708 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -15.235 17.928 -15.584 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -14.027 18.348 -14.347 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -13.706 21.288 -15.134 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -12.372 20.164 -14.781 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -12.405 21.049 -16.325 1.00 0.00 H new