USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 735 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 76 LYS NZ :NH3+ 143:sc= 1.11 (180deg=0.0156) USER MOD Set 1.2: A 112 GLN : amide:sc= -6.84! C(o=-5.7!,f=-5.8!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -5.51! C(o=-11!,f=-5.5!) USER MOD Single : A 19 HIS : no HE2:sc= 1 K(o=1,f=-5.8!) USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 1 (180deg=0.138) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0686 F(o=-1.2,f=-0.069) USER MOD Single : A 26 ASN : amide:sc= -2.91! C(o=-2.9!,f=-4.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.08 K(o=1.1,f=-0.27) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.322 USER MOD Single : A 72 GLN :FLIP amide:sc= -0.74 F(o=-2.9!,f=-0.74) USER MOD Single : A 78 MET CE :methyl 158:sc= -6.05! (180deg=-6.91!) USER MOD Single : A 79 GLN : amide:sc= -0.899! C(o=-0.9!,f=-3.3!) USER MOD Single : A 81 ASN : amide:sc= -1.74 X(o=-1.7,f=-2.2!) USER MOD Single : A 85 MET CE :methyl -132:sc= -5.89! (180deg=-11.3!) USER MOD Single : A 86 THR OG1 : rot -99:sc= 0.449 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -100:sc= -1.39 USER MOD Single : A 90 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-5!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0983) USER MOD Single : A 98 THR OG1 : rot 87:sc= 1.13 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.314 USER MOD Single : A 110 THR OG1 : rot 68:sc= 0.79 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -15.015 6.090 4.065 1.00 1.00 N ATOM 140 CA THR A 10 -14.939 5.036 5.062 1.00 1.07 C ATOM 141 C THR A 10 -14.557 3.708 4.429 1.00 0.92 C ATOM 142 O THR A 10 -15.384 2.871 4.056 1.00 0.99 O ATOM 143 CB THR A 10 -16.227 4.916 5.878 1.00 1.30 C ATOM 144 OG1 THR A 10 -16.194 3.760 6.726 1.00 2.09 O ATOM 145 CG2 THR A 10 -17.428 4.870 4.963 1.00 1.90 C ATOM 0 HA THR A 10 -14.150 5.314 5.760 1.00 1.07 H new ATOM 0 HB THR A 10 -16.308 5.797 6.515 1.00 1.30 H new ATOM 0 HG1 THR A 10 -17.028 3.706 7.238 1.00 2.09 H new ATOM 0 HG21 THR A 10 -18.337 4.785 5.559 1.00 1.90 H new ATOM 0 HG22 THR A 10 -17.468 5.783 4.369 1.00 1.90 H new ATOM 0 HG23 THR A 10 -17.347 4.009 4.299 1.00 1.90 H new ATOM 153 N ALA A 11 -13.272 3.582 4.273 1.00 0.83 N ATOM 154 CA ALA A 11 -12.648 2.387 3.749 1.00 0.74 C ATOM 155 C ALA A 11 -12.183 1.486 4.885 1.00 0.77 C ATOM 156 O ALA A 11 -12.326 1.819 6.063 1.00 0.96 O ATOM 157 CB ALA A 11 -11.480 2.766 2.858 1.00 0.70 C ATOM 0 H ALA A 11 -12.608 4.319 4.510 1.00 0.83 H new ATOM 0 HA ALA A 11 -13.379 1.837 3.157 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -11.013 1.862 2.466 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.838 3.378 2.030 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.749 3.330 3.437 1.00 0.70 H new ATOM 163 N VAL A 12 -11.621 0.354 4.523 1.00 0.65 N ATOM 164 CA VAL A 12 -11.164 -0.628 5.493 1.00 0.72 C ATOM 165 C VAL A 12 -9.642 -0.625 5.580 1.00 0.54 C ATOM 166 O VAL A 12 -8.954 -1.022 4.642 1.00 0.54 O ATOM 167 CB VAL A 12 -11.653 -2.049 5.126 1.00 0.89 C ATOM 168 CG1 VAL A 12 -11.130 -3.082 6.114 1.00 1.57 C ATOM 169 CG2 VAL A 12 -13.174 -2.092 5.058 1.00 1.38 C ATOM 0 H VAL A 12 -11.466 0.085 3.551 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.584 -0.353 6.460 1.00 0.72 H new ATOM 0 HB VAL A 12 -11.257 -2.297 4.141 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -11.490 -4.071 5.831 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -10.040 -3.076 6.104 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -11.485 -2.840 7.116 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -13.498 -3.100 4.799 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -13.589 -1.815 6.027 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -13.524 -1.392 4.300 1.00 1.38 H new ATOM 179 N VAL A 13 -9.120 -0.165 6.701 1.00 0.52 N ATOM 180 CA VAL A 13 -7.683 -0.126 6.908 1.00 0.44 C ATOM 181 C VAL A 13 -7.177 -1.513 7.250 1.00 0.41 C ATOM 182 O VAL A 13 -7.441 -2.033 8.333 1.00 0.50 O ATOM 183 CB VAL A 13 -7.296 0.830 8.045 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.789 0.963 8.146 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.944 2.189 7.855 1.00 1.02 C ATOM 0 H VAL A 13 -9.670 0.188 7.484 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.230 0.232 5.983 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.664 0.408 8.980 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.538 1.645 8.958 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.350 -0.015 8.344 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.395 1.354 7.208 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -7.654 2.848 8.674 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.616 2.620 6.909 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -9.028 2.077 7.846 1.00 1.02 H new ATOM 195 N GLN A 14 -6.472 -2.124 6.322 1.00 0.37 N ATOM 196 CA GLN A 14 -5.933 -3.459 6.567 1.00 0.40 C ATOM 197 C GLN A 14 -4.400 -3.452 6.629 1.00 0.32 C ATOM 198 O GLN A 14 -3.757 -2.462 6.279 1.00 0.41 O ATOM 199 CB GLN A 14 -6.459 -4.452 5.523 1.00 0.51 C ATOM 200 CG GLN A 14 -5.911 -4.272 4.125 1.00 0.53 C ATOM 201 CD GLN A 14 -4.744 -5.190 3.848 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.545 -4.694 4.079 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.919 -6.327 3.424 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.257 -1.733 5.405 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.281 -3.788 7.546 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.228 -5.463 5.859 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.545 -4.370 5.483 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.702 -4.463 3.399 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.597 -3.237 3.990 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.865 -6.670 3.260 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.118 -6.930 3.236 1.00 0.55 H new ATOM 212 N ARG A 15 -3.817 -4.568 7.060 1.00 0.32 N ATOM 213 CA ARG A 15 -2.378 -4.656 7.253 1.00 0.39 C ATOM 214 C ARG A 15 -1.743 -5.660 6.303 1.00 0.33 C ATOM 215 O ARG A 15 -2.175 -6.812 6.214 1.00 0.55 O ATOM 216 CB ARG A 15 -2.061 -5.031 8.702 1.00 0.70 C ATOM 217 CG ARG A 15 -1.757 -3.831 9.574 1.00 0.75 C ATOM 218 CD ARG A 15 -0.484 -3.148 9.111 1.00 1.44 C ATOM 219 NE ARG A 15 0.721 -3.910 9.464 1.00 2.26 N ATOM 220 CZ ARG A 15 1.861 -3.354 9.884 1.00 2.85 C ATOM 221 NH1 ARG A 15 1.936 -2.033 10.033 1.00 2.98 N ATOM 222 NH2 ARG A 15 2.922 -4.116 10.161 1.00 3.63 N ATOM 0 H ARG A 15 -4.324 -5.425 7.282 1.00 0.32 H new ATOM 0 HA ARG A 15 -1.955 -3.676 7.033 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -2.907 -5.574 9.124 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.208 -5.709 8.717 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -2.589 -3.127 9.537 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -1.651 -4.146 10.612 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.521 -3.012 8.030 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -0.426 -2.155 9.556 1.00 1.44 H new ATOM 0 HE ARG A 15 0.685 -4.926 9.384 1.00 2.26 H new ATOM 0 HH11 ARG A 15 1.125 -1.450 9.827 1.00 2.98 H new ATOM 0 HH12 ARG A 15 2.804 -1.604 10.353 1.00 2.98 H new ATOM 0 HH21 ARG A 15 2.865 -5.129 10.052 1.00 3.63 H new ATOM 0 HH22 ARG A 15 3.789 -3.685 10.481 1.00 3.63 H new ATOM 236 N VAL A 16 -0.730 -5.202 5.577 1.00 0.25 N ATOM 237 CA VAL A 16 0.049 -6.058 4.705 1.00 0.30 C ATOM 238 C VAL A 16 1.420 -6.287 5.319 1.00 0.26 C ATOM 239 O VAL A 16 2.147 -5.342 5.606 1.00 0.40 O ATOM 240 CB VAL A 16 0.211 -5.452 3.286 1.00 0.51 C ATOM 241 CG1 VAL A 16 1.320 -6.146 2.505 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.090 -5.553 2.524 1.00 0.64 C ATOM 0 H VAL A 16 -0.430 -4.227 5.580 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.485 -7.003 4.601 1.00 0.30 H new ATOM 0 HB VAL A 16 0.484 -4.403 3.403 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.405 -5.696 1.516 1.00 1.02 H new ATOM 0 HG12 VAL A 16 2.265 -6.034 3.037 1.00 1.02 H new ATOM 0 HG13 VAL A 16 1.085 -7.205 2.402 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -0.964 -5.124 1.530 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.378 -6.600 2.434 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -1.868 -5.007 3.058 1.00 0.64 H new ATOM 252 N GLU A 17 1.759 -7.530 5.551 1.00 0.22 N ATOM 253 CA GLU A 17 3.051 -7.862 6.119 1.00 0.25 C ATOM 254 C GLU A 17 3.562 -9.155 5.510 1.00 0.24 C ATOM 255 O GLU A 17 2.987 -10.224 5.732 1.00 0.28 O ATOM 256 CB GLU A 17 2.929 -7.968 7.643 1.00 0.33 C ATOM 257 CG GLU A 17 4.240 -8.240 8.367 1.00 0.44 C ATOM 258 CD GLU A 17 4.363 -7.450 9.660 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.342 -6.883 10.120 1.00 1.35 O ATOM 260 OE2 GLU A 17 5.479 -7.377 10.216 1.00 1.31 O ATOM 0 H GLU A 17 1.161 -8.333 5.357 1.00 0.22 H new ATOM 0 HA GLU A 17 3.771 -7.076 5.890 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.504 -7.040 8.026 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.225 -8.764 7.883 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.316 -9.305 8.586 1.00 0.44 H new ATOM 0 HG3 GLU A 17 5.073 -7.989 7.711 1.00 0.44 H new ATOM 267 N ILE A 18 4.625 -9.067 4.722 1.00 0.24 N ATOM 268 CA ILE A 18 5.134 -10.229 4.041 1.00 0.24 C ATOM 269 C ILE A 18 6.642 -10.198 4.099 1.00 0.27 C ATOM 270 O ILE A 18 7.243 -9.128 4.156 1.00 0.33 O ATOM 271 CB ILE A 18 4.642 -10.300 2.574 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.831 -11.706 2.021 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.345 -9.281 1.689 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.899 -12.709 2.649 1.00 0.61 C ATOM 0 H ILE A 18 5.142 -8.206 4.545 1.00 0.24 H new ATOM 0 HA ILE A 18 4.759 -11.123 4.539 1.00 0.24 H new ATOM 0 HB ILE A 18 3.580 -10.056 2.571 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.670 -11.692 0.943 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.861 -12.021 2.186 1.00 0.34 H new ATOM 0 HG21 ILE A 18 4.970 -9.365 0.669 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.151 -8.277 2.065 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.418 -9.470 1.698 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.079 -13.693 2.216 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.076 -12.747 3.724 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.867 -12.413 2.462 1.00 0.61 H new ATOM 286 N HIS A 19 7.261 -11.352 4.130 1.00 0.30 N ATOM 287 CA HIS A 19 8.704 -11.396 4.214 1.00 0.33 C ATOM 288 C HIS A 19 9.297 -11.141 2.841 1.00 0.35 C ATOM 289 O HIS A 19 9.026 -11.888 1.902 1.00 0.40 O ATOM 290 CB HIS A 19 9.183 -12.721 4.802 1.00 0.39 C ATOM 291 CG HIS A 19 8.908 -12.839 6.272 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.886 -13.094 7.205 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.750 -12.726 6.972 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.347 -13.142 8.407 1.00 0.60 C ATOM 295 NE2 HIS A 19 8.052 -12.926 8.297 1.00 0.56 N ATOM 0 H HIS A 19 6.800 -12.261 4.099 1.00 0.30 H new ATOM 0 HA HIS A 19 9.047 -10.613 4.890 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.695 -13.543 4.279 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.254 -12.824 4.628 1.00 0.39 H new ATOM 0 HD1 HIS A 19 10.876 -13.226 6.999 1.00 0.54 H new ATOM 0 HD2 HIS A 19 6.773 -12.517 6.563 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.879 -13.328 9.329 1.00 0.60 H new ATOM 304 N LYS A 20 10.023 -10.019 2.749 1.00 0.34 N ATOM 305 CA LYS A 20 10.728 -9.570 1.533 1.00 0.36 C ATOM 306 C LYS A 20 11.122 -10.740 0.606 1.00 0.36 C ATOM 307 O LYS A 20 11.568 -11.795 1.070 1.00 0.42 O ATOM 308 CB LYS A 20 11.980 -8.756 1.945 1.00 0.40 C ATOM 309 CG LYS A 20 13.277 -9.560 2.089 1.00 1.42 C ATOM 310 CD LYS A 20 13.205 -10.596 3.204 1.00 2.33 C ATOM 311 CE LYS A 20 14.366 -11.577 3.141 1.00 3.13 C ATOM 312 NZ LYS A 20 14.198 -12.695 4.111 1.00 4.00 N ATOM 0 H LYS A 20 10.142 -9.380 3.535 1.00 0.34 H new ATOM 0 HA LYS A 20 10.044 -8.943 0.961 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.140 -7.972 1.205 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.773 -8.262 2.894 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.496 -10.061 1.146 1.00 1.42 H new ATOM 0 HG3 LYS A 20 14.103 -8.877 2.286 1.00 1.42 H new ATOM 0 HD2 LYS A 20 13.208 -10.091 4.170 1.00 2.33 H new ATOM 0 HD3 LYS A 20 12.264 -11.142 3.133 1.00 2.33 H new ATOM 0 HE2 LYS A 20 14.447 -11.980 2.132 1.00 3.13 H new ATOM 0 HE3 LYS A 20 15.298 -11.051 3.350 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 14.728 -13.526 3.778 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 14.559 -12.404 5.042 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 13.190 -12.937 4.191 1.00 4.00 H new ATOM 326 N LEU A 21 10.970 -10.568 -0.706 1.00 0.33 N ATOM 327 CA LEU A 21 11.275 -11.664 -1.621 1.00 0.37 C ATOM 328 C LEU A 21 12.671 -11.499 -2.194 1.00 0.41 C ATOM 329 O LEU A 21 12.864 -10.812 -3.188 1.00 0.45 O ATOM 330 CB LEU A 21 10.240 -11.749 -2.745 1.00 0.38 C ATOM 331 CG LEU A 21 10.451 -12.905 -3.730 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.330 -14.245 -3.015 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.452 -12.819 -4.874 1.00 0.48 C ATOM 0 H LEU A 21 10.647 -9.707 -1.149 1.00 0.33 H new ATOM 0 HA LEU A 21 11.235 -12.597 -1.058 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.249 -11.846 -2.301 1.00 0.38 H new ATOM 0 HB3 LEU A 21 10.250 -10.811 -3.300 1.00 0.38 H new ATOM 0 HG LEU A 21 11.456 -12.826 -4.144 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.483 -15.054 -3.730 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.083 -14.308 -2.230 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.337 -14.333 -2.573 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.616 -13.647 -5.563 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.438 -12.873 -4.477 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.585 -11.875 -5.403 1.00 0.48 H new ATOM 345 N ARG A 22 13.637 -12.132 -1.555 1.00 0.51 N ATOM 346 CA ARG A 22 15.041 -11.951 -1.903 1.00 0.61 C ATOM 347 C ARG A 22 15.337 -12.369 -3.342 1.00 0.60 C ATOM 348 O ARG A 22 14.760 -13.325 -3.864 1.00 0.66 O ATOM 349 CB ARG A 22 15.932 -12.737 -0.946 1.00 0.88 C ATOM 350 CG ARG A 22 15.741 -14.238 -1.033 1.00 1.19 C ATOM 351 CD ARG A 22 16.776 -14.972 -0.206 1.00 1.94 C ATOM 352 NE ARG A 22 16.587 -16.416 -0.266 1.00 2.47 N ATOM 353 CZ ARG A 22 17.331 -17.296 0.393 1.00 3.28 C ATOM 354 NH1 ARG A 22 18.381 -16.897 1.104 1.00 3.78 N ATOM 355 NH2 ARG A 22 17.038 -18.586 0.313 1.00 3.97 N ATOM 0 H ARG A 22 13.477 -12.782 -0.785 1.00 0.51 H new ATOM 0 HA ARG A 22 15.257 -10.886 -1.814 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.975 -12.499 -1.156 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.730 -12.412 0.075 1.00 0.88 H new ATOM 0 HG2 ARG A 22 14.742 -14.501 -0.686 1.00 1.19 H new ATOM 0 HG3 ARG A 22 15.811 -14.556 -2.073 1.00 1.19 H new ATOM 0 HD2 ARG A 22 17.774 -14.720 -0.565 1.00 1.94 H new ATOM 0 HD3 ARG A 22 16.716 -14.640 0.830 1.00 1.94 H new ATOM 0 HE ARG A 22 15.833 -16.774 -0.853 1.00 2.47 H new ATOM 0 HH11 ARG A 22 18.621 -15.907 1.147 1.00 3.78 H new ATOM 0 HH12 ARG A 22 18.946 -17.581 1.607 1.00 3.78 H new ATOM 0 HH21 ARG A 22 16.247 -18.895 -0.251 1.00 3.97 H new ATOM 0 HH22 ARG A 22 17.604 -19.270 0.816 1.00 3.97 H new ATOM 369 N GLN A 23 16.224 -11.620 -3.977 1.00 0.68 N ATOM 370 CA GLN A 23 16.705 -11.931 -5.306 1.00 0.81 C ATOM 371 C GLN A 23 18.192 -11.628 -5.391 1.00 0.93 C ATOM 372 O GLN A 23 18.576 -10.490 -5.646 1.00 1.02 O ATOM 373 CB GLN A 23 15.990 -11.059 -6.324 1.00 0.90 C ATOM 374 CG GLN A 23 15.807 -11.715 -7.677 1.00 1.04 C ATOM 375 CD GLN A 23 14.840 -12.887 -7.654 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.870 -12.849 -6.748 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 14.965 -13.823 -8.445 1.00 0.69 N flip ATOM 0 H GLN A 23 16.631 -10.774 -3.579 1.00 0.68 H new ATOM 0 HA GLN A 23 16.518 -12.985 -5.511 1.00 0.81 H new ATOM 0 HB2 GLN A 23 15.012 -10.785 -5.929 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.552 -10.134 -6.453 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.447 -10.971 -8.388 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.776 -12.060 -8.039 1.00 1.04 H new ATOM 0 HE21 GLN A 23 15.723 -13.816 -9.127 1.00 0.69 H new ATOM 0 HE22 GLN A 23 14.310 -14.605 -8.418 1.00 0.69 H new ATOM 386 N GLY A 24 19.025 -12.631 -5.177 1.00 1.03 N ATOM 387 CA GLY A 24 20.457 -12.432 -5.214 1.00 1.19 C ATOM 388 C GLY A 24 20.946 -11.536 -4.098 1.00 1.23 C ATOM 389 O GLY A 24 21.393 -12.013 -3.057 1.00 1.33 O ATOM 0 H GLY A 24 18.733 -13.587 -4.977 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.957 -13.398 -5.145 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.735 -11.997 -6.174 1.00 1.19 H new ATOM 393 N GLU A 25 20.838 -10.234 -4.312 1.00 1.27 N ATOM 394 CA GLU A 25 21.306 -9.255 -3.347 1.00 1.43 C ATOM 395 C GLU A 25 20.154 -8.400 -2.854 1.00 1.40 C ATOM 396 O GLU A 25 20.253 -7.734 -1.830 1.00 1.61 O ATOM 397 CB GLU A 25 22.340 -8.337 -3.985 1.00 1.67 C ATOM 398 CG GLU A 25 23.402 -9.063 -4.782 1.00 1.84 C ATOM 399 CD GLU A 25 24.214 -8.100 -5.622 1.00 2.03 C ATOM 400 OE1 GLU A 25 23.797 -7.807 -6.761 1.00 2.21 O ATOM 401 OE2 GLU A 25 25.254 -7.609 -5.135 1.00 2.33 O ATOM 0 H GLU A 25 20.427 -9.830 -5.153 1.00 1.27 H new ATOM 0 HA GLU A 25 21.749 -9.797 -2.512 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.829 -7.631 -4.639 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.824 -7.753 -3.202 1.00 1.67 H new ATOM 0 HG2 GLU A 25 24.062 -9.604 -4.104 1.00 1.84 H new ATOM 0 HG3 GLU A 25 22.932 -9.805 -5.428 1.00 1.84 H new ATOM 408 N ASN A 26 19.064 -8.421 -3.594 1.00 1.21 N ATOM 409 CA ASN A 26 17.973 -7.477 -3.372 1.00 1.23 C ATOM 410 C ASN A 26 16.726 -8.172 -2.866 1.00 1.05 C ATOM 411 O ASN A 26 16.722 -9.377 -2.642 1.00 1.06 O ATOM 412 CB ASN A 26 17.654 -6.706 -4.662 1.00 1.31 C ATOM 413 CG ASN A 26 17.645 -7.596 -5.886 1.00 1.39 C ATOM 414 OD1 ASN A 26 16.598 -8.054 -6.331 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.823 -7.859 -6.426 1.00 1.33 N ATOM 0 H ASN A 26 18.904 -9.080 -4.356 1.00 1.21 H new ATOM 0 HA ASN A 26 18.303 -6.774 -2.607 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.682 -6.223 -4.561 1.00 1.31 H new ATOM 0 HB3 ASN A 26 18.390 -5.914 -4.799 1.00 1.31 H new ATOM 0 HD21 ASN A 26 18.885 -8.464 -7.245 1.00 1.33 H new ATOM 0 HD22 ASN A 26 19.670 -7.457 -6.024 1.00 1.33 H new ATOM 422 N LEU A 27 15.674 -7.393 -2.685 1.00 0.95 N ATOM 423 CA LEU A 27 14.401 -7.910 -2.254 1.00 0.82 C ATOM 424 C LEU A 27 13.353 -7.435 -3.237 1.00 0.71 C ATOM 425 O LEU A 27 13.395 -6.293 -3.701 1.00 0.81 O ATOM 426 CB LEU A 27 14.053 -7.455 -0.824 1.00 0.93 C ATOM 427 CG LEU A 27 13.461 -6.046 -0.691 1.00 1.28 C ATOM 428 CD1 LEU A 27 12.975 -5.796 0.728 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.476 -4.984 -1.091 1.00 1.62 C ATOM 0 H LEU A 27 15.685 -6.384 -2.835 1.00 0.95 H new ATOM 0 HA LEU A 27 14.440 -8.999 -2.231 1.00 0.82 H new ATOM 0 HB2 LEU A 27 13.344 -8.167 -0.400 1.00 0.93 H new ATOM 0 HB3 LEU A 27 14.957 -7.506 -0.218 1.00 0.93 H new ATOM 0 HG LEU A 27 12.610 -5.980 -1.369 1.00 1.28 H new ATOM 0 HD11 LEU A 27 12.559 -4.791 0.798 1.00 2.28 H new ATOM 0 HD12 LEU A 27 12.206 -6.525 0.983 1.00 2.28 H new ATOM 0 HD13 LEU A 27 13.811 -5.892 1.421 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.029 -3.996 -0.987 1.00 1.62 H new ATOM 0 HD22 LEU A 27 15.351 -5.056 -0.446 1.00 1.62 H new ATOM 0 HD23 LEU A 27 14.776 -5.139 -2.127 1.00 1.62 H new ATOM 441 N ILE A 28 12.450 -8.307 -3.588 1.00 0.57 N ATOM 442 CA ILE A 28 11.428 -7.968 -4.534 1.00 0.52 C ATOM 443 C ILE A 28 10.126 -7.673 -3.821 1.00 0.44 C ATOM 444 O ILE A 28 9.695 -8.418 -2.925 1.00 0.43 O ATOM 445 CB ILE A 28 11.254 -9.082 -5.605 1.00 0.53 C ATOM 446 CG1 ILE A 28 12.099 -8.763 -6.846 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.788 -9.271 -5.998 1.00 0.47 C ATOM 448 CD1 ILE A 28 13.552 -8.466 -6.550 1.00 0.80 C ATOM 0 H ILE A 28 12.402 -9.261 -3.231 1.00 0.57 H new ATOM 0 HA ILE A 28 11.737 -7.065 -5.061 1.00 0.52 H new ATOM 0 HB ILE A 28 11.600 -10.017 -5.165 1.00 0.53 H new ATOM 0 HG12 ILE A 28 12.046 -9.607 -7.534 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.662 -7.906 -7.358 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.711 -10.058 -6.748 1.00 0.47 H new ATOM 0 HG22 ILE A 28 9.209 -9.550 -5.118 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.398 -8.339 -6.408 1.00 0.47 H new ATOM 0 HD11 ILE A 28 14.077 -8.251 -7.481 1.00 0.80 H new ATOM 0 HD12 ILE A 28 13.619 -7.603 -5.888 1.00 0.80 H new ATOM 0 HD13 ILE A 28 14.009 -9.330 -6.067 1.00 0.80 H new ATOM 460 N LEU A 29 9.556 -6.540 -4.187 1.00 0.51 N ATOM 461 CA LEU A 29 8.233 -6.154 -3.755 1.00 0.55 C ATOM 462 C LEU A 29 7.237 -6.547 -4.831 1.00 0.73 C ATOM 463 O LEU A 29 7.388 -6.182 -6.000 1.00 1.74 O ATOM 464 CB LEU A 29 8.162 -4.644 -3.482 1.00 0.71 C ATOM 465 CG LEU A 29 8.739 -3.737 -4.578 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.993 -2.414 -4.622 1.00 1.28 C ATOM 467 CD2 LEU A 29 10.220 -3.475 -4.337 1.00 1.33 C ATOM 0 H LEU A 29 10.006 -5.858 -4.798 1.00 0.51 H new ATOM 0 HA LEU A 29 7.993 -6.667 -2.823 1.00 0.55 H new ATOM 0 HB2 LEU A 29 7.118 -4.372 -3.324 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.690 -4.437 -2.551 1.00 0.71 H new ATOM 0 HG LEU A 29 8.620 -4.249 -5.533 1.00 0.74 H new ATOM 0 HD11 LEU A 29 8.416 -1.784 -5.405 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.939 -2.597 -4.833 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.088 -1.910 -3.660 1.00 1.28 H new ATOM 0 HD21 LEU A 29 10.608 -2.830 -5.125 1.00 1.33 H new ATOM 0 HD22 LEU A 29 10.351 -2.986 -3.371 1.00 1.33 H new ATOM 0 HD23 LEU A 29 10.762 -4.421 -4.342 1.00 1.33 H new ATOM 479 N GLY A 30 6.229 -7.304 -4.444 1.00 0.40 N ATOM 480 CA GLY A 30 5.288 -7.819 -5.412 1.00 0.32 C ATOM 481 C GLY A 30 4.173 -6.840 -5.720 1.00 0.35 C ATOM 482 O GLY A 30 3.021 -7.230 -5.817 1.00 0.69 O ATOM 0 H GLY A 30 6.044 -7.572 -3.477 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.817 -8.063 -6.333 1.00 0.32 H new ATOM 0 HA3 GLY A 30 4.858 -8.747 -5.036 1.00 0.32 H new ATOM 486 N PHE A 31 4.518 -5.572 -5.847 1.00 0.29 N ATOM 487 CA PHE A 31 3.558 -4.522 -6.135 1.00 0.28 C ATOM 488 C PHE A 31 4.255 -3.325 -6.768 1.00 0.31 C ATOM 489 O PHE A 31 5.452 -3.130 -6.573 1.00 0.42 O ATOM 490 CB PHE A 31 2.833 -4.089 -4.851 1.00 0.28 C ATOM 491 CG PHE A 31 3.748 -3.665 -3.729 1.00 0.32 C ATOM 492 CD1 PHE A 31 4.245 -4.597 -2.832 1.00 0.33 C ATOM 493 CD2 PHE A 31 4.101 -2.335 -3.569 1.00 0.42 C ATOM 494 CE1 PHE A 31 5.077 -4.212 -1.801 1.00 0.42 C ATOM 495 CE2 PHE A 31 4.934 -1.945 -2.539 1.00 0.50 C ATOM 496 CZ PHE A 31 5.422 -2.883 -1.655 1.00 0.51 C ATOM 0 H PHE A 31 5.478 -5.240 -5.753 1.00 0.29 H new ATOM 0 HA PHE A 31 2.822 -4.913 -6.838 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.163 -3.263 -5.088 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.211 -4.914 -4.504 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.978 -5.638 -2.941 1.00 0.33 H new ATOM 0 HD2 PHE A 31 3.721 -1.595 -4.257 1.00 0.42 H new ATOM 0 HE1 PHE A 31 5.458 -4.949 -1.109 1.00 0.42 H new ATOM 0 HE2 PHE A 31 5.203 -0.905 -2.426 1.00 0.50 H new ATOM 0 HZ PHE A 31 6.073 -2.579 -0.849 1.00 0.51 H new ATOM 506 N SER A 32 3.514 -2.540 -7.537 1.00 0.25 N ATOM 507 CA SER A 32 4.019 -1.260 -7.989 1.00 0.23 C ATOM 508 C SER A 32 3.340 -0.195 -7.156 1.00 0.23 C ATOM 509 O SER A 32 2.288 -0.450 -6.577 1.00 0.29 O ATOM 510 CB SER A 32 3.765 -1.042 -9.478 1.00 0.25 C ATOM 511 OG SER A 32 4.546 0.025 -9.980 1.00 0.53 O ATOM 0 H SER A 32 2.572 -2.767 -7.856 1.00 0.25 H new ATOM 0 HA SER A 32 5.101 -1.218 -7.862 1.00 0.23 H new ATOM 0 HB2 SER A 32 3.997 -1.955 -10.026 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.708 -0.831 -9.642 1.00 0.25 H new ATOM 0 HG SER A 32 4.365 0.141 -10.936 1.00 0.53 H new ATOM 517 N ILE A 33 3.919 0.981 -7.084 1.00 0.23 N ATOM 518 CA ILE A 33 3.512 1.937 -6.069 1.00 0.25 C ATOM 519 C ILE A 33 3.923 3.362 -6.405 1.00 0.25 C ATOM 520 O ILE A 33 5.007 3.598 -6.935 1.00 0.32 O ATOM 521 CB ILE A 33 4.153 1.549 -4.712 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.162 2.738 -3.737 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.562 1.033 -4.952 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.204 2.634 -2.642 1.00 0.37 C ATOM 0 H ILE A 33 4.663 1.300 -7.704 1.00 0.23 H new ATOM 0 HA ILE A 33 2.424 1.905 -6.019 1.00 0.25 H new ATOM 0 HB ILE A 33 3.555 0.762 -4.253 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.334 3.655 -4.301 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.177 2.825 -3.279 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.016 0.759 -4.000 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.523 0.158 -5.601 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.158 1.811 -5.428 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.144 3.511 -1.998 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.022 1.737 -2.051 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.197 2.579 -3.089 1.00 0.37 H new ATOM 536 N GLY A 34 3.045 4.303 -6.091 1.00 0.26 N ATOM 537 CA GLY A 34 3.471 5.665 -5.900 1.00 0.43 C ATOM 538 C GLY A 34 2.663 6.311 -4.806 1.00 0.30 C ATOM 539 O GLY A 34 1.441 6.329 -4.846 1.00 0.72 O ATOM 0 H GLY A 34 2.045 4.143 -5.966 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.530 5.690 -5.644 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.354 6.224 -6.828 1.00 0.43 H new ATOM 543 N GLY A 35 3.347 6.726 -3.775 1.00 0.77 N ATOM 544 CA GLY A 35 2.730 7.516 -2.736 1.00 0.93 C ATOM 545 C GLY A 35 3.651 8.576 -2.231 1.00 0.73 C ATOM 546 O GLY A 35 4.709 8.239 -1.736 1.00 1.42 O ATOM 0 H GLY A 35 4.337 6.531 -3.629 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.820 7.977 -3.121 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.435 6.867 -1.912 1.00 0.93 H new ATOM 550 N GLY A 36 3.328 9.832 -2.357 1.00 0.40 N ATOM 551 CA GLY A 36 4.228 10.811 -1.795 1.00 0.39 C ATOM 552 C GLY A 36 3.638 12.198 -1.701 1.00 0.35 C ATOM 553 O GLY A 36 2.881 12.606 -2.577 1.00 0.48 O ATOM 0 H GLY A 36 2.494 10.195 -2.818 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.528 10.486 -0.799 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.132 10.851 -2.403 1.00 0.39 H new ATOM 557 N ILE A 37 3.978 12.925 -0.642 1.00 0.37 N ATOM 558 CA ILE A 37 4.055 14.378 -0.736 1.00 0.41 C ATOM 559 C ILE A 37 5.121 14.729 -1.760 1.00 0.38 C ATOM 560 O ILE A 37 5.181 15.838 -2.278 1.00 0.46 O ATOM 561 CB ILE A 37 4.441 15.022 0.601 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.622 14.267 1.218 1.00 0.47 C ATOM 563 CG2 ILE A 37 3.252 15.054 1.536 1.00 0.52 C ATOM 564 CD1 ILE A 37 6.140 14.890 2.498 1.00 0.49 C ATOM 0 H ILE A 37 4.201 12.541 0.276 1.00 0.37 H new ATOM 0 HA ILE A 37 3.073 14.755 -1.022 1.00 0.41 H new ATOM 0 HB ILE A 37 4.749 16.053 0.429 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.319 13.240 1.421 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.433 14.223 0.491 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.544 15.514 2.480 1.00 0.52 H new ATOM 0 HG22 ILE A 37 2.448 15.634 1.083 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.906 14.037 1.720 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.976 14.301 2.877 1.00 0.49 H new ATOM 0 HD12 ILE A 37 6.474 15.908 2.298 1.00 0.49 H new ATOM 0 HD13 ILE A 37 5.343 14.910 3.242 1.00 0.49 H new ATOM 576 N ASP A 38 5.974 13.740 -2.005 1.00 0.35 N ATOM 577 CA ASP A 38 7.001 13.817 -3.024 1.00 0.40 C ATOM 578 C ASP A 38 6.358 13.877 -4.410 1.00 0.56 C ATOM 579 O ASP A 38 6.855 14.546 -5.318 1.00 0.69 O ATOM 580 CB ASP A 38 7.917 12.600 -2.937 1.00 0.39 C ATOM 581 CG ASP A 38 8.568 12.231 -4.251 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.574 12.863 -4.624 1.00 0.68 O ATOM 583 OD2 ASP A 38 8.077 11.281 -4.892 1.00 0.72 O ATOM 0 H ASP A 38 5.967 12.857 -1.494 1.00 0.35 H new ATOM 0 HA ASP A 38 7.590 14.720 -2.861 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.695 12.795 -2.199 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.341 11.748 -2.576 1.00 0.39 H new ATOM 588 N GLN A 39 5.235 13.160 -4.546 1.00 0.63 N ATOM 589 CA GLN A 39 4.517 13.072 -5.813 1.00 0.85 C ATOM 590 C GLN A 39 3.829 14.394 -6.136 1.00 0.93 C ATOM 591 O GLN A 39 4.102 15.416 -5.514 1.00 1.19 O ATOM 592 CB GLN A 39 3.473 11.947 -5.762 1.00 0.98 C ATOM 593 CG GLN A 39 4.053 10.572 -5.500 1.00 1.00 C ATOM 594 CD GLN A 39 4.945 10.065 -6.620 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.476 9.417 -7.553 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.235 10.342 -6.536 1.00 0.82 N ATOM 0 H GLN A 39 4.806 12.632 -3.786 1.00 0.63 H new ATOM 0 HA GLN A 39 5.242 12.851 -6.596 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.746 12.177 -4.983 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.931 11.926 -6.708 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.627 10.599 -4.574 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.237 9.865 -5.349 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.590 10.883 -5.747 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.875 10.015 -7.260 1.00 0.82 H new ATOM 815 N GLY A 54 -0.538 10.742 0.603 1.00 0.78 N ATOM 816 CA GLY A 54 -0.084 9.559 1.267 1.00 0.65 C ATOM 817 C GLY A 54 0.675 8.673 0.323 1.00 0.53 C ATOM 818 O GLY A 54 1.106 9.120 -0.750 1.00 0.57 O ATOM 0 HA2 GLY A 54 0.553 9.831 2.108 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -0.937 9.016 1.675 1.00 0.65 H new ATOM 822 N ILE A 55 0.840 7.420 0.697 1.00 0.48 N ATOM 823 CA ILE A 55 1.490 6.476 -0.175 1.00 0.40 C ATOM 824 C ILE A 55 0.442 5.488 -0.628 1.00 0.33 C ATOM 825 O ILE A 55 -0.441 5.176 0.139 1.00 0.43 O ATOM 826 CB ILE A 55 2.686 5.780 0.528 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.920 6.694 0.522 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.024 4.453 -0.138 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.780 7.990 1.300 1.00 0.54 C ATOM 0 H ILE A 55 0.534 7.039 1.592 1.00 0.48 H new ATOM 0 HA ILE A 55 1.917 6.985 -1.039 1.00 0.40 H new ATOM 0 HB ILE A 55 2.392 5.582 1.559 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.764 6.137 0.928 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.165 6.936 -0.512 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.866 3.991 0.378 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.160 3.790 -0.088 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.289 4.626 -1.181 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.707 8.559 1.230 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.962 8.578 0.884 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.570 7.766 2.346 1.00 0.54 H new ATOM 841 N TYR A 56 0.462 5.045 -1.877 1.00 0.25 N ATOM 842 CA TYR A 56 -0.570 4.141 -2.323 1.00 0.23 C ATOM 843 C TYR A 56 -0.068 3.254 -3.431 1.00 0.18 C ATOM 844 O TYR A 56 0.756 3.653 -4.255 1.00 0.28 O ATOM 845 CB TYR A 56 -1.845 4.893 -2.731 1.00 0.36 C ATOM 846 CG TYR A 56 -1.613 6.085 -3.626 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.872 7.167 -3.181 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.136 6.126 -4.902 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.649 8.265 -3.986 1.00 0.90 C ATOM 850 CE2 TYR A 56 -1.924 7.222 -5.725 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.179 8.290 -5.260 1.00 1.01 C ATOM 852 OH TYR A 56 -0.966 9.382 -6.073 1.00 1.42 O ATOM 0 H TYR A 56 1.162 5.292 -2.576 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.835 3.501 -1.482 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.514 4.198 -3.239 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.358 5.227 -1.829 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.460 7.151 -2.183 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -2.719 5.293 -5.265 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.065 9.098 -3.622 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.338 7.241 -6.722 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.406 9.238 -6.937 1.00 1.42 H new ATOM 862 N VAL A 57 -0.558 2.038 -3.421 1.00 0.18 N ATOM 863 CA VAL A 57 -0.060 1.012 -4.290 1.00 0.17 C ATOM 864 C VAL A 57 -0.752 1.077 -5.639 1.00 0.16 C ATOM 865 O VAL A 57 -1.974 1.232 -5.716 1.00 0.22 O ATOM 866 CB VAL A 57 -0.214 -0.375 -3.621 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.609 -0.953 -3.750 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.821 -1.345 -4.132 1.00 0.58 C ATOM 0 H VAL A 57 -1.315 1.736 -2.807 1.00 0.18 H new ATOM 0 HA VAL A 57 1.003 1.174 -4.466 1.00 0.17 H new ATOM 0 HB VAL A 57 -0.047 -0.215 -2.556 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.647 -1.926 -3.259 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.326 -0.281 -3.279 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -1.859 -1.069 -4.805 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.687 -2.310 -3.644 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.707 -1.464 -5.209 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.818 -0.962 -3.913 1.00 0.58 H new ATOM 878 N THR A 58 0.057 1.006 -6.686 1.00 0.17 N ATOM 879 CA THR A 58 -0.404 1.141 -8.054 1.00 0.24 C ATOM 880 C THR A 58 -0.551 -0.230 -8.716 1.00 0.38 C ATOM 881 O THR A 58 -1.185 -0.368 -9.756 1.00 1.11 O ATOM 882 CB THR A 58 0.592 2.001 -8.858 1.00 0.39 C ATOM 883 OG1 THR A 58 0.801 3.251 -8.185 1.00 0.83 O ATOM 884 CG2 THR A 58 0.086 2.264 -10.264 1.00 0.69 C ATOM 0 H THR A 58 1.062 0.851 -6.605 1.00 0.17 H new ATOM 0 HA THR A 58 -1.380 1.627 -8.042 1.00 0.24 H new ATOM 0 HB THR A 58 1.531 1.453 -8.930 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.435 3.796 -8.696 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.811 2.873 -10.804 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.051 1.316 -10.785 1.00 0.69 H new ATOM 0 HG23 THR A 58 -0.866 2.792 -10.215 1.00 0.69 H new ATOM 892 N ARG A 59 0.049 -1.245 -8.119 1.00 0.31 N ATOM 893 CA ARG A 59 -0.114 -2.605 -8.611 1.00 0.26 C ATOM 894 C ARG A 59 -0.036 -3.640 -7.505 1.00 0.26 C ATOM 895 O ARG A 59 -0.137 -3.313 -6.322 1.00 0.27 O ATOM 896 CB ARG A 59 0.936 -2.945 -9.663 1.00 0.26 C ATOM 897 CG ARG A 59 0.554 -2.511 -11.056 1.00 0.34 C ATOM 898 CD ARG A 59 1.476 -3.128 -12.095 1.00 0.45 C ATOM 899 NE ARG A 59 0.981 -2.950 -13.461 1.00 1.06 N ATOM 900 CZ ARG A 59 1.570 -3.476 -14.537 1.00 1.50 C ATOM 901 NH1 ARG A 59 2.694 -4.175 -14.409 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.041 -3.297 -15.743 1.00 2.27 N ATOM 0 H ARG A 59 0.649 -1.157 -7.299 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.110 -2.639 -9.052 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.879 -2.472 -9.390 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.106 -4.022 -9.660 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.476 -2.802 -11.261 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.598 -1.424 -11.126 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.466 -2.680 -12.010 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.589 -4.192 -11.889 1.00 0.45 H new ATOM 0 HE ARG A 59 0.138 -2.392 -13.598 1.00 1.06 H new ATOM 0 HH11 ARG A 59 3.108 -4.310 -13.487 1.00 1.52 H new ATOM 0 HH12 ARG A 59 3.142 -4.576 -15.233 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.183 -2.756 -15.848 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.494 -3.700 -16.563 1.00 2.27 H new ATOM 916 N VAL A 60 0.042 -4.894 -7.960 1.00 0.26 N ATOM 917 CA VAL A 60 0.468 -6.068 -7.189 1.00 0.27 C ATOM 918 C VAL A 60 0.691 -7.202 -8.181 1.00 0.36 C ATOM 919 O VAL A 60 -0.084 -7.356 -9.127 1.00 0.51 O ATOM 920 CB VAL A 60 -0.521 -6.583 -6.101 1.00 0.33 C ATOM 921 CG1 VAL A 60 -0.004 -7.897 -5.540 1.00 0.83 C ATOM 922 CG2 VAL A 60 -0.678 -5.610 -4.954 1.00 0.75 C ATOM 0 H VAL A 60 -0.202 -5.130 -8.922 1.00 0.26 H new ATOM 0 HA VAL A 60 1.357 -5.754 -6.643 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.493 -6.705 -6.580 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.692 -8.263 -4.778 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.072 -8.631 -6.343 1.00 0.83 H new ATOM 0 HG13 VAL A 60 0.980 -7.741 -5.097 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.378 -6.018 -4.224 1.00 0.75 H new ATOM 0 HG22 VAL A 60 0.289 -5.449 -4.478 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.059 -4.661 -5.331 1.00 0.75 H new ATOM 932 N SER A 61 1.754 -7.963 -7.992 1.00 0.45 N ATOM 933 CA SER A 61 2.038 -9.086 -8.859 1.00 0.56 C ATOM 934 C SER A 61 1.241 -10.301 -8.445 1.00 0.56 C ATOM 935 O SER A 61 1.263 -10.716 -7.280 1.00 0.64 O ATOM 936 CB SER A 61 3.519 -9.426 -8.833 1.00 0.72 C ATOM 937 OG SER A 61 3.971 -9.566 -7.496 1.00 1.65 O ATOM 0 H SER A 61 2.434 -7.821 -7.245 1.00 0.45 H new ATOM 0 HA SER A 61 1.753 -8.800 -9.871 1.00 0.56 H new ATOM 0 HB2 SER A 61 3.696 -10.351 -9.382 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.087 -8.643 -9.336 1.00 0.72 H new ATOM 0 HG SER A 61 4.926 -9.786 -7.495 1.00 1.65 H new ATOM 943 N GLU A 62 0.531 -10.836 -9.406 1.00 0.68 N ATOM 944 CA GLU A 62 -0.157 -12.099 -9.266 1.00 0.73 C ATOM 945 C GLU A 62 0.811 -13.201 -8.891 1.00 0.74 C ATOM 946 O GLU A 62 1.686 -13.572 -9.675 1.00 0.84 O ATOM 947 CB GLU A 62 -0.808 -12.405 -10.591 1.00 0.86 C ATOM 948 CG GLU A 62 -2.056 -11.584 -10.846 1.00 1.45 C ATOM 949 CD GLU A 62 -2.391 -11.477 -12.315 1.00 1.62 C ATOM 950 OE1 GLU A 62 -1.839 -10.583 -12.995 1.00 1.85 O ATOM 951 OE2 GLU A 62 -3.198 -12.293 -12.803 1.00 1.75 O ATOM 0 H GLU A 62 0.412 -10.402 -10.321 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.902 -12.037 -8.473 1.00 0.73 H new ATOM 0 HB2 GLU A 62 -0.091 -12.223 -11.392 1.00 0.86 H new ATOM 0 HB3 GLU A 62 -1.064 -13.464 -10.627 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -2.896 -12.034 -10.317 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.919 -10.584 -10.435 1.00 1.45 H new ATOM 958 N GLY A 63 0.668 -13.701 -7.684 1.00 0.76 N ATOM 959 CA GLY A 63 1.521 -14.770 -7.229 1.00 0.86 C ATOM 960 C GLY A 63 2.717 -14.266 -6.442 1.00 0.80 C ATOM 961 O GLY A 63 3.534 -15.054 -5.956 1.00 0.92 O ATOM 0 H GLY A 63 -0.026 -13.386 -7.006 1.00 0.76 H new ATOM 0 HA2 GLY A 63 0.942 -15.452 -6.606 1.00 0.86 H new ATOM 0 HA3 GLY A 63 1.871 -15.342 -8.088 1.00 0.86 H new ATOM 965 N GLY A 64 2.836 -12.951 -6.329 1.00 0.67 N ATOM 966 CA GLY A 64 3.905 -12.377 -5.557 1.00 0.66 C ATOM 967 C GLY A 64 3.490 -12.129 -4.137 1.00 0.63 C ATOM 968 O GLY A 64 2.317 -12.232 -3.800 1.00 0.99 O ATOM 0 H GLY A 64 2.207 -12.275 -6.761 1.00 0.67 H new ATOM 0 HA2 GLY A 64 4.766 -13.045 -5.574 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.221 -11.439 -6.013 1.00 0.66 H new ATOM 972 N PRO A 65 4.435 -11.724 -3.302 1.00 0.37 N ATOM 973 CA PRO A 65 4.268 -11.742 -1.854 1.00 0.27 C ATOM 974 C PRO A 65 3.297 -10.710 -1.350 1.00 0.23 C ATOM 975 O PRO A 65 2.705 -10.852 -0.280 1.00 0.29 O ATOM 976 CB PRO A 65 5.673 -11.486 -1.351 1.00 0.32 C ATOM 977 CG PRO A 65 6.338 -10.695 -2.427 1.00 0.43 C ATOM 978 CD PRO A 65 5.741 -11.187 -3.716 1.00 0.44 C ATOM 0 HA PRO A 65 3.839 -12.680 -1.502 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.660 -10.936 -0.410 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.201 -12.421 -1.167 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.161 -9.627 -2.295 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.418 -10.844 -2.413 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.633 -10.381 -4.442 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.362 -11.953 -4.180 1.00 0.44 H new ATOM 986 N ALA A 66 3.119 -9.698 -2.144 1.00 0.22 N ATOM 987 CA ALA A 66 2.177 -8.657 -1.843 1.00 0.24 C ATOM 988 C ALA A 66 0.749 -9.187 -1.888 1.00 0.29 C ATOM 989 O ALA A 66 -0.104 -8.753 -1.122 1.00 0.36 O ATOM 990 CB ALA A 66 2.365 -7.538 -2.827 1.00 0.27 C ATOM 0 H ALA A 66 3.623 -9.568 -3.021 1.00 0.22 H new ATOM 0 HA ALA A 66 2.353 -8.287 -0.833 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.655 -6.740 -2.610 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.381 -7.151 -2.749 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.195 -7.910 -3.837 1.00 0.27 H new ATOM 996 N GLU A 67 0.502 -10.152 -2.763 1.00 0.30 N ATOM 997 CA GLU A 67 -0.832 -10.708 -2.912 1.00 0.42 C ATOM 998 C GLU A 67 -1.112 -11.674 -1.773 1.00 0.39 C ATOM 999 O GLU A 67 -2.251 -11.833 -1.337 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.976 -11.411 -4.261 1.00 0.53 C ATOM 1001 CG GLU A 67 -2.313 -12.111 -4.438 1.00 0.77 C ATOM 1002 CD GLU A 67 -2.522 -12.644 -5.835 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -1.704 -13.466 -6.293 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -3.528 -12.260 -6.468 1.00 1.79 O ATOM 0 H GLU A 67 1.205 -10.563 -3.377 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.559 -9.897 -2.877 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.849 -10.679 -5.059 1.00 0.53 H new ATOM 0 HB3 GLU A 67 -0.175 -12.142 -4.369 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -2.382 -12.934 -3.727 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -3.116 -11.414 -4.198 1.00 0.77 H new ATOM 1011 N ILE A 68 -0.051 -12.299 -1.285 1.00 0.31 N ATOM 1012 CA ILE A 68 -0.159 -13.242 -0.180 1.00 0.31 C ATOM 1013 C ILE A 68 -0.517 -12.494 1.098 1.00 0.28 C ATOM 1014 O ILE A 68 -1.298 -12.975 1.923 1.00 0.34 O ATOM 1015 CB ILE A 68 1.159 -14.047 0.019 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.338 -15.110 -1.078 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.193 -14.706 1.392 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.211 -14.577 -2.482 1.00 0.51 C ATOM 0 H ILE A 68 0.897 -12.170 -1.637 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.947 -13.956 -0.419 1.00 0.31 H new ATOM 0 HB ILE A 68 1.985 -13.339 -0.051 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.319 -15.572 -0.964 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.597 -15.896 -0.931 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.124 -15.262 1.506 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.131 -13.940 2.165 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.349 -15.388 1.489 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.350 -15.390 -3.194 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.221 -14.142 -2.618 1.00 0.51 H new ATOM 0 HD13 ILE A 68 1.970 -13.813 -2.651 1.00 0.51 H new ATOM 1030 N ALA A 69 0.041 -11.300 1.242 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.270 -10.449 2.378 1.00 0.24 C ATOM 1032 C ALA A 69 -1.617 -9.760 2.187 1.00 0.31 C ATOM 1033 O ALA A 69 -2.280 -9.406 3.159 1.00 0.41 O ATOM 1034 CB ALA A 69 0.830 -9.428 2.590 1.00 0.24 C ATOM 0 H ALA A 69 0.711 -10.900 0.585 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.336 -11.075 3.268 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.582 -8.798 3.444 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.772 -9.942 2.779 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.928 -8.808 1.699 1.00 0.24 H new ATOM 1040 N GLY A 70 -2.024 -9.590 0.931 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.322 -8.995 0.653 1.00 0.41 C ATOM 1042 C GLY A 70 -3.251 -7.539 0.213 1.00 0.36 C ATOM 1043 O GLY A 70 -4.034 -6.711 0.670 1.00 0.45 O ATOM 0 H GLY A 70 -1.483 -9.851 0.106 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.818 -9.576 -0.125 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.942 -9.065 1.547 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.315 -7.224 -0.667 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.235 -5.888 -1.243 1.00 0.30 C ATOM 1049 C LEU A 71 -2.978 -5.892 -2.578 1.00 0.24 C ATOM 1050 O LEU A 71 -3.015 -6.919 -3.256 1.00 0.33 O ATOM 1051 CB LEU A 71 -0.770 -5.477 -1.408 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.524 -3.988 -1.652 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.252 -3.147 -0.614 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.968 -3.693 -1.619 1.00 0.87 C ATOM 0 H LEU A 71 -1.601 -7.872 -0.999 1.00 0.33 H new ATOM 0 HA LEU A 71 -2.703 -5.156 -0.584 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.225 -5.775 -0.512 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.346 -6.038 -2.241 1.00 0.38 H new ATOM 0 HG LEU A 71 -0.913 -3.729 -2.637 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.064 -2.090 -0.805 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.323 -3.342 -0.674 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -0.891 -3.405 0.382 1.00 0.89 H new ATOM 0 HD21 LEU A 71 1.133 -2.630 -1.794 1.00 0.87 H new ATOM 0 HD22 LEU A 71 1.372 -3.967 -0.644 1.00 0.87 H new ATOM 0 HD23 LEU A 71 1.470 -4.270 -2.395 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.578 -4.765 -2.963 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.622 -4.810 -3.984 1.00 0.33 C ATOM 1068 C GLN A 72 -4.526 -3.756 -5.089 1.00 0.25 C ATOM 1069 O GLN A 72 -5.551 -3.238 -5.524 1.00 0.35 O ATOM 1070 CB GLN A 72 -5.959 -4.702 -3.291 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.193 -5.857 -2.347 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.323 -5.622 -1.375 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -7.473 -4.392 -0.917 1.00 1.21 O flip ATOM 1074 NE2 GLN A 72 -8.034 -6.554 -0.995 1.00 0.64 N flip ATOM 0 H GLN A 72 -3.367 -3.837 -2.596 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.492 -5.758 -4.506 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.008 -3.764 -2.738 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -6.754 -4.674 -4.036 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.406 -6.754 -2.929 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.278 -6.050 -1.788 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -7.890 -7.491 -1.370 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -8.767 -6.388 -0.305 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.316 -3.466 -5.569 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.145 -2.771 -6.848 1.00 0.26 C ATOM 1085 C ILE A 73 -3.580 -1.287 -6.839 1.00 0.23 C ATOM 1086 O ILE A 73 -3.229 -0.542 -7.752 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.914 -3.544 -7.956 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.450 -5.005 -7.985 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.715 -2.910 -9.318 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -4.187 -5.871 -8.987 1.00 0.77 C ATOM 0 H ILE A 73 -2.443 -3.700 -5.095 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.073 -2.757 -7.047 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.978 -3.501 -7.721 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.384 -5.032 -8.213 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.574 -5.434 -6.991 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -4.267 -3.477 -10.067 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -4.080 -1.883 -9.298 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.654 -2.913 -9.569 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.799 -6.889 -8.944 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.251 -5.878 -8.749 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -4.043 -5.470 -9.990 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.275 -0.833 -5.806 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.872 0.497 -5.852 1.00 0.25 C ATOM 1104 C GLY A 74 -5.262 0.985 -4.479 1.00 0.29 C ATOM 1105 O GLY A 74 -6.324 1.579 -4.281 1.00 0.37 O ATOM 0 H GLY A 74 -4.438 -1.351 -4.943 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.166 1.197 -6.299 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.752 0.478 -6.494 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.372 0.769 -3.539 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.690 0.947 -2.127 1.00 0.34 C ATOM 1111 C ASP A 75 -3.810 1.998 -1.479 1.00 0.30 C ATOM 1112 O ASP A 75 -2.615 2.072 -1.743 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.562 -0.370 -1.371 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.839 -1.181 -1.391 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.934 -0.580 -1.381 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -5.748 -2.422 -1.387 1.00 0.89 O ATOM 0 H ASP A 75 -3.414 0.468 -3.720 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.723 1.290 -2.075 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.756 -0.959 -1.809 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.283 -0.165 -0.338 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.414 2.779 -0.606 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.754 3.905 0.041 1.00 0.28 C ATOM 1123 C LYS A 76 -3.028 3.463 1.313 1.00 0.28 C ATOM 1124 O LYS A 76 -3.636 3.251 2.359 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.775 5.004 0.368 1.00 0.34 C ATOM 1126 CG LYS A 76 -6.191 4.709 -0.117 1.00 0.74 C ATOM 1127 CD LYS A 76 -6.336 4.832 -1.633 1.00 1.17 C ATOM 1128 CE LYS A 76 -7.698 4.332 -2.086 1.00 1.55 C ATOM 1129 NZ LYS A 76 -7.862 4.355 -3.565 1.00 2.20 N ATOM 0 H LYS A 76 -5.385 2.652 -0.320 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.012 4.304 -0.651 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -4.797 5.154 1.447 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.439 5.940 -0.077 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -6.473 3.702 0.190 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -6.886 5.395 0.367 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -6.207 5.872 -1.932 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -5.551 4.259 -2.126 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -7.844 3.314 -1.725 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -8.475 4.946 -1.630 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -8.413 3.526 -3.866 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -8.361 5.223 -3.845 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -6.926 4.332 -4.018 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.730 3.349 1.192 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.843 2.902 2.252 1.00 0.27 C ATOM 1145 C ILE A 77 -0.657 3.971 3.327 1.00 0.25 C ATOM 1146 O ILE A 77 -0.225 5.104 3.033 1.00 0.29 O ATOM 1147 CB ILE A 77 0.520 2.569 1.642 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.362 1.471 0.595 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.538 2.177 2.705 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.118 1.761 -0.673 1.00 0.49 C ATOM 0 H ILE A 77 -1.239 3.571 0.326 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.289 2.026 2.723 1.00 0.27 H new ATOM 0 HB ILE A 77 0.905 3.466 1.157 1.00 0.31 H new ATOM 0 HG12 ILE A 77 0.709 0.526 1.012 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.696 1.347 0.362 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.492 1.949 2.229 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.670 3.003 3.404 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.182 1.299 3.244 1.00 0.38 H new ATOM 0 HD11 ILE A 77 0.968 0.945 -1.381 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.754 2.691 -1.109 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.180 1.857 -0.449 1.00 0.49 H new ATOM 1162 N MET A 78 -0.983 3.588 4.565 1.00 0.22 N ATOM 1163 CA MET A 78 -0.870 4.464 5.717 1.00 0.24 C ATOM 1164 C MET A 78 0.458 4.328 6.453 1.00 0.24 C ATOM 1165 O MET A 78 0.751 5.116 7.351 1.00 0.30 O ATOM 1166 CB MET A 78 -2.014 4.205 6.702 1.00 0.33 C ATOM 1167 CG MET A 78 -3.396 4.169 6.075 1.00 0.32 C ATOM 1168 SD MET A 78 -4.025 5.800 5.611 1.00 0.75 S ATOM 1169 CE MET A 78 -2.895 6.247 4.301 1.00 1.06 C ATOM 0 H MET A 78 -1.333 2.657 4.789 1.00 0.22 H new ATOM 0 HA MET A 78 -0.925 5.480 5.325 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.834 3.255 7.205 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.998 4.980 7.468 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.367 3.535 5.189 1.00 0.32 H new ATOM 0 HG3 MET A 78 -4.091 3.707 6.776 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.356 7.003 3.665 1.00 1.06 H new ATOM 0 HE2 MET A 78 -1.977 6.646 4.733 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.662 5.365 3.705 1.00 1.06 H new ATOM 1179 N GLN A 79 1.254 3.335 6.098 1.00 0.23 N ATOM 1180 CA GLN A 79 2.531 3.122 6.779 1.00 0.23 C ATOM 1181 C GLN A 79 3.416 2.133 6.042 1.00 0.24 C ATOM 1182 O GLN A 79 2.929 1.219 5.375 1.00 0.24 O ATOM 1183 CB GLN A 79 2.310 2.656 8.228 1.00 0.26 C ATOM 1184 CG GLN A 79 3.291 1.590 8.690 1.00 0.54 C ATOM 1185 CD GLN A 79 3.286 1.369 10.185 1.00 0.50 C ATOM 1186 OE1 GLN A 79 3.500 0.248 10.651 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.081 2.427 10.949 1.00 0.43 N ATOM 0 H GLN A 79 1.048 2.669 5.354 1.00 0.23 H new ATOM 0 HA GLN A 79 3.046 4.083 6.790 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.386 3.517 8.892 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.296 2.268 8.324 1.00 0.26 H new ATOM 0 HG2 GLN A 79 3.054 0.650 8.192 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.296 1.873 8.376 1.00 0.54 H new ATOM 0 HE21 GLN A 79 2.907 3.338 10.523 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.096 2.333 11.965 1.00 0.43 H new ATOM 1196 N VAL A 80 4.719 2.321 6.203 1.00 0.28 N ATOM 1197 CA VAL A 80 5.719 1.461 5.601 1.00 0.35 C ATOM 1198 C VAL A 80 6.773 1.075 6.630 1.00 0.31 C ATOM 1199 O VAL A 80 7.529 1.920 7.109 1.00 0.31 O ATOM 1200 CB VAL A 80 6.410 2.143 4.404 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.662 1.382 3.993 1.00 0.85 C ATOM 1202 CG2 VAL A 80 5.452 2.278 3.232 1.00 1.31 C ATOM 0 H VAL A 80 5.111 3.081 6.760 1.00 0.28 H new ATOM 0 HA VAL A 80 5.205 0.569 5.243 1.00 0.35 H new ATOM 0 HB VAL A 80 6.710 3.144 4.714 1.00 0.52 H new ATOM 0 HG11 VAL A 80 8.131 1.883 3.146 1.00 0.85 H new ATOM 0 HG12 VAL A 80 8.360 1.352 4.829 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.393 0.365 3.708 1.00 0.85 H new ATOM 0 HG21 VAL A 80 5.962 2.762 2.399 1.00 1.31 H new ATOM 0 HG22 VAL A 80 5.112 1.289 2.924 1.00 1.31 H new ATOM 0 HG23 VAL A 80 4.594 2.880 3.531 1.00 1.31 H new ATOM 1212 N ASN A 81 6.789 -0.201 6.986 1.00 0.34 N ATOM 1213 CA ASN A 81 7.805 -0.768 7.876 1.00 0.38 C ATOM 1214 C ASN A 81 7.862 -0.061 9.227 1.00 0.34 C ATOM 1215 O ASN A 81 8.901 -0.056 9.881 1.00 0.40 O ATOM 1216 CB ASN A 81 9.185 -0.724 7.206 1.00 0.46 C ATOM 1217 CG ASN A 81 9.311 -1.742 6.092 1.00 0.70 C ATOM 1218 OD1 ASN A 81 8.962 -1.478 4.945 1.00 1.50 O ATOM 1219 ND2 ASN A 81 9.826 -2.911 6.425 1.00 1.18 N ATOM 0 H ASN A 81 6.097 -0.879 6.667 1.00 0.34 H new ATOM 0 HA ASN A 81 7.519 -1.803 8.063 1.00 0.38 H new ATOM 0 HB2 ASN A 81 9.361 0.274 6.806 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.956 -0.908 7.954 1.00 0.46 H new ATOM 0 HD21 ASN A 81 9.947 -3.635 5.717 1.00 1.18 H new ATOM 0 HD22 ASN A 81 10.103 -3.090 7.390 1.00 1.18 H new ATOM 1226 N GLY A 82 6.740 0.505 9.659 1.00 0.32 N ATOM 1227 CA GLY A 82 6.721 1.198 10.937 1.00 0.34 C ATOM 1228 C GLY A 82 6.734 2.703 10.776 1.00 0.31 C ATOM 1229 O GLY A 82 6.471 3.437 11.727 1.00 0.38 O ATOM 0 H GLY A 82 5.853 0.498 9.155 1.00 0.32 H new ATOM 0 HA2 GLY A 82 5.832 0.902 11.495 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.584 0.891 11.527 1.00 0.34 H new ATOM 1233 N TRP A 83 7.034 3.164 9.570 1.00 0.28 N ATOM 1234 CA TRP A 83 6.997 4.585 9.270 1.00 0.28 C ATOM 1235 C TRP A 83 5.572 4.990 9.007 1.00 0.29 C ATOM 1236 O TRP A 83 4.706 4.143 8.852 1.00 0.48 O ATOM 1237 CB TRP A 83 7.858 4.933 8.056 1.00 0.30 C ATOM 1238 CG TRP A 83 9.309 4.761 8.287 1.00 0.33 C ATOM 1239 CD1 TRP A 83 9.990 3.594 8.258 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.263 5.786 8.575 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.312 3.820 8.499 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.510 5.159 8.700 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.187 7.175 8.732 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.675 5.864 8.977 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.344 7.874 9.010 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.575 7.215 9.129 1.00 0.76 C ATOM 0 H TRP A 83 7.306 2.573 8.784 1.00 0.28 H new ATOM 0 HA TRP A 83 7.400 5.126 10.127 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.556 4.307 7.216 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.665 5.967 7.769 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.551 2.625 8.071 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.039 3.105 8.525 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.242 7.689 8.637 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.626 5.360 9.069 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.300 8.946 9.138 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.463 7.790 9.346 1.00 0.76 H new ATOM 1257 N ASP A 84 5.339 6.271 8.917 1.00 0.39 N ATOM 1258 CA ASP A 84 3.988 6.778 8.827 1.00 0.41 C ATOM 1259 C ASP A 84 3.748 7.456 7.499 1.00 0.40 C ATOM 1260 O ASP A 84 4.333 8.499 7.202 1.00 0.59 O ATOM 1261 CB ASP A 84 3.711 7.740 9.974 1.00 0.62 C ATOM 1262 CG ASP A 84 2.274 8.236 9.990 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.390 7.499 10.471 1.00 1.89 O ATOM 1264 OD2 ASP A 84 2.024 9.379 9.537 1.00 1.28 O ATOM 0 H ASP A 84 6.065 6.987 8.904 1.00 0.39 H new ATOM 0 HA ASP A 84 3.302 5.934 8.901 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.930 7.244 10.920 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.385 8.593 9.898 1.00 0.62 H new ATOM 1269 N MET A 85 2.892 6.850 6.697 1.00 0.36 N ATOM 1270 CA MET A 85 2.610 7.369 5.383 1.00 0.46 C ATOM 1271 C MET A 85 1.237 8.014 5.345 1.00 0.36 C ATOM 1272 O MET A 85 0.203 7.357 5.271 1.00 0.56 O ATOM 1273 CB MET A 85 2.733 6.271 4.326 1.00 0.76 C ATOM 1274 CG MET A 85 4.172 5.906 4.006 1.00 0.49 C ATOM 1275 SD MET A 85 5.074 5.279 5.433 1.00 1.01 S ATOM 1276 CE MET A 85 6.757 5.512 4.891 1.00 0.44 C ATOM 0 H MET A 85 2.383 5.999 6.937 1.00 0.36 H new ATOM 0 HA MET A 85 3.349 8.137 5.153 1.00 0.46 H new ATOM 0 HB2 MET A 85 2.208 5.381 4.673 1.00 0.76 H new ATOM 0 HB3 MET A 85 2.236 6.598 3.412 1.00 0.76 H new ATOM 0 HG2 MET A 85 4.183 5.154 3.217 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.686 6.785 3.616 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.326 4.599 5.068 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.767 5.745 3.826 1.00 0.44 H new ATOM 0 HE3 MET A 85 7.208 6.334 5.447 1.00 0.44 H new ATOM 1286 N THR A 86 1.271 9.321 5.419 1.00 0.31 N ATOM 1287 CA THR A 86 0.105 10.169 5.274 1.00 0.35 C ATOM 1288 C THR A 86 0.494 11.340 4.410 1.00 0.46 C ATOM 1289 O THR A 86 -0.258 11.816 3.561 1.00 1.05 O ATOM 1290 CB THR A 86 -0.359 10.714 6.633 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.783 11.024 7.449 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.254 9.728 7.346 1.00 0.37 C ATOM 0 H THR A 86 2.132 9.842 5.586 1.00 0.31 H new ATOM 0 HA THR A 86 -0.705 9.586 4.836 1.00 0.35 H new ATOM 0 HB THR A 86 -0.936 11.621 6.455 1.00 0.36 H new ATOM 0 HG1 THR A 86 0.942 10.292 8.081 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.564 10.145 8.304 1.00 0.37 H new ATOM 0 HG22 THR A 86 -2.134 9.528 6.735 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.710 8.798 7.514 1.00 0.37 H new ATOM 1300 N MET A 87 1.688 11.812 4.699 1.00 0.56 N ATOM 1301 CA MET A 87 2.331 12.850 3.939 1.00 0.65 C ATOM 1302 C MET A 87 3.826 12.593 3.951 1.00 0.76 C ATOM 1303 O MET A 87 4.575 13.241 4.676 1.00 1.49 O ATOM 1304 CB MET A 87 2.037 14.226 4.534 1.00 0.84 C ATOM 1305 CG MET A 87 1.015 14.209 5.669 1.00 0.97 C ATOM 1306 SD MET A 87 0.880 15.806 6.492 1.00 1.36 S ATOM 1307 CE MET A 87 -0.315 15.429 7.768 1.00 1.62 C ATOM 0 H MET A 87 2.245 11.475 5.484 1.00 0.56 H new ATOM 0 HA MET A 87 1.949 12.839 2.918 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.968 14.656 4.904 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.674 14.882 3.743 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.040 13.923 5.273 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.298 13.450 6.398 1.00 0.97 H new ATOM 0 HE1 MET A 87 -0.504 16.322 8.364 1.00 1.62 H new ATOM 0 HE2 MET A 87 -1.245 15.096 7.308 1.00 1.62 H new ATOM 0 HE3 MET A 87 0.075 14.640 8.410 1.00 1.62 H new ATOM 1317 N VAL A 88 4.243 11.596 3.191 1.00 0.40 N ATOM 1318 CA VAL A 88 5.630 11.200 3.138 1.00 0.45 C ATOM 1319 C VAL A 88 6.023 10.969 1.680 1.00 0.36 C ATOM 1320 O VAL A 88 5.202 10.514 0.898 1.00 0.39 O ATOM 1321 CB VAL A 88 5.827 9.940 4.019 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.507 8.802 3.289 1.00 0.72 C ATOM 1323 CG2 VAL A 88 6.598 10.315 5.270 1.00 1.09 C ATOM 0 H VAL A 88 3.627 11.042 2.596 1.00 0.40 H new ATOM 0 HA VAL A 88 6.282 11.980 3.533 1.00 0.45 H new ATOM 0 HB VAL A 88 4.837 9.573 4.288 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.615 7.951 3.962 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.905 8.511 2.428 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.492 9.124 2.951 1.00 0.72 H new ATOM 0 HG21 VAL A 88 6.737 9.430 5.891 1.00 1.09 H new ATOM 0 HG22 VAL A 88 7.571 10.719 4.990 1.00 1.09 H new ATOM 0 HG23 VAL A 88 6.041 11.066 5.829 1.00 1.09 H new ATOM 1333 N THR A 89 7.231 11.374 1.296 1.00 0.31 N ATOM 1334 CA THR A 89 7.683 11.249 -0.073 1.00 0.28 C ATOM 1335 C THR A 89 7.597 9.803 -0.580 1.00 0.26 C ATOM 1336 O THR A 89 7.723 8.850 0.191 1.00 0.26 O ATOM 1337 CB THR A 89 9.121 11.801 -0.212 1.00 0.31 C ATOM 1338 OG1 THR A 89 10.017 11.092 0.645 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.152 13.283 0.142 1.00 0.35 C ATOM 0 H THR A 89 7.915 11.794 1.926 1.00 0.31 H new ATOM 0 HA THR A 89 7.016 11.842 -0.698 1.00 0.28 H new ATOM 0 HB THR A 89 9.437 11.667 -1.246 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.180 11.619 1.455 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.170 13.660 0.040 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.493 13.832 -0.531 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.816 13.419 1.170 1.00 0.35 H new ATOM 1347 N HIS A 90 7.354 9.652 -1.882 1.00 0.26 N ATOM 1348 CA HIS A 90 7.256 8.334 -2.510 1.00 0.25 C ATOM 1349 C HIS A 90 8.485 7.531 -2.217 1.00 0.27 C ATOM 1350 O HIS A 90 8.419 6.349 -1.890 1.00 0.30 O ATOM 1351 CB HIS A 90 7.098 8.484 -4.016 1.00 0.25 C ATOM 1352 CG HIS A 90 7.007 7.192 -4.791 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.231 7.127 -6.149 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.698 5.922 -4.408 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.061 5.887 -6.560 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.740 5.137 -5.528 1.00 0.32 N ATOM 0 H HIS A 90 7.221 10.432 -2.526 1.00 0.26 H new ATOM 0 HA HIS A 90 6.385 7.820 -2.105 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.200 9.070 -4.213 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.943 9.058 -4.397 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.463 5.595 -3.406 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.168 5.542 -7.578 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.553 4.135 -5.558 1.00 0.32 H new ATOM 1365 N ASP A 91 9.598 8.201 -2.321 1.00 0.31 N ATOM 1366 CA ASP A 91 10.879 7.555 -2.127 1.00 0.34 C ATOM 1367 C ASP A 91 11.076 7.204 -0.679 1.00 0.32 C ATOM 1368 O ASP A 91 11.736 6.233 -0.376 1.00 0.33 O ATOM 1369 CB ASP A 91 12.040 8.400 -2.610 1.00 0.41 C ATOM 1370 CG ASP A 91 12.894 7.621 -3.584 1.00 1.03 C ATOM 1371 OD1 ASP A 91 12.320 6.932 -4.452 1.00 1.45 O ATOM 1372 OD2 ASP A 91 14.132 7.665 -3.463 1.00 1.67 O ATOM 0 H ASP A 91 9.651 9.196 -2.539 1.00 0.31 H new ATOM 0 HA ASP A 91 10.864 6.647 -2.729 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.665 9.304 -3.089 1.00 0.41 H new ATOM 0 HB3 ASP A 91 12.645 8.717 -1.760 1.00 0.41 H new ATOM 1377 N GLN A 92 10.498 7.990 0.217 1.00 0.31 N ATOM 1378 CA GLN A 92 10.629 7.717 1.630 1.00 0.32 C ATOM 1379 C GLN A 92 10.049 6.341 1.912 1.00 0.29 C ATOM 1380 O GLN A 92 10.683 5.475 2.528 1.00 0.31 O ATOM 1381 CB GLN A 92 9.878 8.783 2.411 1.00 0.36 C ATOM 1382 CG GLN A 92 9.726 8.468 3.872 1.00 0.42 C ATOM 1383 CD GLN A 92 10.928 8.873 4.689 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.876 8.107 4.863 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.885 10.085 5.202 1.00 0.62 N ATOM 0 H GLN A 92 9.940 8.813 -0.011 1.00 0.31 H new ATOM 0 HA GLN A 92 11.676 7.734 1.932 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.401 9.734 2.306 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.889 8.913 1.972 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.843 8.977 4.258 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.555 7.398 3.992 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.077 10.683 5.030 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.660 10.425 5.772 1.00 0.62 H new ATOM 1394 N ALA A 93 8.862 6.127 1.372 1.00 0.27 N ATOM 1395 CA ALA A 93 8.153 4.882 1.569 1.00 0.28 C ATOM 1396 C ALA A 93 8.783 3.774 0.737 1.00 0.28 C ATOM 1397 O ALA A 93 8.957 2.650 1.204 1.00 0.33 O ATOM 1398 CB ALA A 93 6.689 5.065 1.214 1.00 0.33 C ATOM 0 H ALA A 93 8.369 6.806 0.791 1.00 0.27 H new ATOM 0 HA ALA A 93 8.222 4.592 2.617 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.158 4.125 1.364 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.253 5.834 1.852 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.603 5.368 0.171 1.00 0.33 H new ATOM 1404 N ARG A 94 9.156 4.118 -0.489 1.00 0.27 N ATOM 1405 CA ARG A 94 9.729 3.157 -1.419 1.00 0.30 C ATOM 1406 C ARG A 94 11.084 2.672 -0.925 1.00 0.33 C ATOM 1407 O ARG A 94 11.396 1.486 -1.003 1.00 0.37 O ATOM 1408 CB ARG A 94 9.885 3.790 -2.801 1.00 0.34 C ATOM 1409 CG ARG A 94 10.103 2.781 -3.908 1.00 0.43 C ATOM 1410 CD ARG A 94 10.185 3.447 -5.277 1.00 0.57 C ATOM 1411 NE ARG A 94 11.282 4.412 -5.381 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.184 4.413 -6.366 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.174 3.460 -7.293 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.100 5.371 -6.415 1.00 2.10 N ATOM 0 H ARG A 94 9.070 5.063 -0.863 1.00 0.27 H new ATOM 0 HA ARG A 94 9.054 2.304 -1.486 1.00 0.30 H new ATOM 0 HB2 ARG A 94 8.994 4.377 -3.026 1.00 0.34 H new ATOM 0 HB3 ARG A 94 10.726 4.483 -2.781 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.022 2.227 -3.718 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.288 2.057 -3.905 1.00 0.43 H new ATOM 0 HD2 ARG A 94 10.310 2.680 -6.041 1.00 0.57 H new ATOM 0 HD3 ARG A 94 9.242 3.953 -5.485 1.00 0.57 H new ATOM 0 HE ARG A 94 11.362 5.126 -4.657 1.00 1.04 H new ATOM 0 HH11 ARG A 94 11.473 2.720 -7.256 1.00 1.57 H new ATOM 0 HH12 ARG A 94 12.867 3.469 -8.041 1.00 1.57 H new ATOM 0 HH21 ARG A 94 13.113 6.101 -5.703 1.00 2.10 H new ATOM 0 HH22 ARG A 94 13.792 5.377 -7.165 1.00 2.10 H new ATOM 1428 N LYS A 95 11.872 3.594 -0.392 1.00 0.33 N ATOM 1429 CA LYS A 95 13.198 3.296 0.066 1.00 0.40 C ATOM 1430 C LYS A 95 13.127 2.323 1.226 1.00 0.42 C ATOM 1431 O LYS A 95 13.950 1.418 1.342 1.00 0.46 O ATOM 1432 CB LYS A 95 13.873 4.614 0.455 1.00 0.46 C ATOM 1433 CG LYS A 95 15.179 4.493 1.204 1.00 0.64 C ATOM 1434 CD LYS A 95 14.945 4.324 2.696 1.00 0.56 C ATOM 1435 CE LYS A 95 16.239 4.081 3.437 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.172 5.235 3.324 1.00 0.96 N ATOM 0 H LYS A 95 11.598 4.569 -0.270 1.00 0.33 H new ATOM 0 HA LYS A 95 13.790 2.820 -0.715 1.00 0.40 H new ATOM 0 HB2 LYS A 95 14.050 5.191 -0.453 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.178 5.189 1.067 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.742 3.641 0.823 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.786 5.381 1.027 1.00 0.64 H new ATOM 0 HD2 LYS A 95 14.460 5.216 3.092 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.265 3.489 2.866 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.024 3.890 4.488 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.720 3.186 3.042 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.002 5.070 3.928 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.478 5.339 2.335 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 16.688 6.104 3.630 1.00 0.96 H new ATOM 1450 N ARG A 96 12.125 2.509 2.076 1.00 0.45 N ATOM 1451 CA ARG A 96 11.939 1.626 3.207 1.00 0.51 C ATOM 1452 C ARG A 96 11.603 0.207 2.755 1.00 0.57 C ATOM 1453 O ARG A 96 12.224 -0.756 3.202 1.00 0.72 O ATOM 1454 CB ARG A 96 10.840 2.138 4.131 1.00 0.55 C ATOM 1455 CG ARG A 96 11.197 3.399 4.889 1.00 0.59 C ATOM 1456 CD ARG A 96 12.524 3.269 5.620 1.00 0.72 C ATOM 1457 NE ARG A 96 12.659 2.001 6.355 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.515 1.813 7.365 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.306 2.806 7.765 1.00 1.58 N ATOM 1460 NH2 ARG A 96 13.588 0.635 7.977 1.00 3.57 N ATOM 0 H ARG A 96 11.437 3.258 2.000 1.00 0.45 H new ATOM 0 HA ARG A 96 12.882 1.607 3.754 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.943 2.325 3.540 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.591 1.356 4.848 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.247 4.238 4.194 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.409 3.626 5.607 1.00 0.59 H new ATOM 0 HD2 ARG A 96 13.338 3.352 4.900 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.630 4.099 6.318 1.00 0.72 H new ATOM 0 HE ARG A 96 12.065 1.220 6.078 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.260 3.713 7.301 1.00 1.58 H new ATOM 0 HH12 ARG A 96 14.958 2.660 8.536 1.00 1.58 H new ATOM 0 HH21 ARG A 96 12.988 -0.134 7.677 1.00 3.57 H new ATOM 0 HH22 ARG A 96 14.244 0.500 8.747 1.00 3.57 H new ATOM 1474 N LEU A 97 10.640 0.087 1.847 1.00 0.52 N ATOM 1475 CA LEU A 97 10.184 -1.226 1.395 1.00 0.57 C ATOM 1476 C LEU A 97 11.138 -1.834 0.365 1.00 0.64 C ATOM 1477 O LEU A 97 10.930 -2.955 -0.099 1.00 0.96 O ATOM 1478 CB LEU A 97 8.743 -1.149 0.851 1.00 0.70 C ATOM 1479 CG LEU A 97 8.468 -0.079 -0.214 1.00 0.88 C ATOM 1480 CD1 LEU A 97 8.886 -0.557 -1.594 1.00 1.45 C ATOM 1481 CD2 LEU A 97 6.996 0.305 -0.206 1.00 1.65 C ATOM 0 H LEU A 97 10.162 0.876 1.411 1.00 0.52 H new ATOM 0 HA LEU A 97 10.183 -1.890 2.259 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.484 -2.121 0.432 1.00 0.70 H new ATOM 0 HB3 LEU A 97 8.070 -0.975 1.691 1.00 0.70 H new ATOM 0 HG LEU A 97 9.063 0.802 0.028 1.00 0.88 H new ATOM 0 HD11 LEU A 97 8.679 0.222 -2.327 1.00 1.45 H new ATOM 0 HD12 LEU A 97 9.953 -0.781 -1.594 1.00 1.45 H new ATOM 0 HD13 LEU A 97 8.327 -1.456 -1.852 1.00 1.45 H new ATOM 0 HD21 LEU A 97 6.814 1.065 -0.966 1.00 1.65 H new ATOM 0 HD22 LEU A 97 6.389 -0.575 -0.420 1.00 1.65 H new ATOM 0 HD23 LEU A 97 6.728 0.701 0.774 1.00 1.65 H new ATOM 1493 N THR A 98 12.186 -1.096 0.009 1.00 0.54 N ATOM 1494 CA THR A 98 13.219 -1.634 -0.861 1.00 0.65 C ATOM 1495 C THR A 98 14.540 -1.706 -0.112 1.00 0.74 C ATOM 1496 O THR A 98 15.627 -1.721 -0.698 1.00 1.53 O ATOM 1497 CB THR A 98 13.394 -0.829 -2.163 1.00 0.92 C ATOM 1498 OG1 THR A 98 12.112 -0.441 -2.672 1.00 1.15 O ATOM 1499 CG2 THR A 98 14.111 -1.679 -3.207 1.00 1.12 C ATOM 0 H THR A 98 12.339 -0.133 0.308 1.00 0.54 H new ATOM 0 HA THR A 98 12.897 -2.634 -1.152 1.00 0.65 H new ATOM 0 HB THR A 98 13.986 0.061 -1.949 1.00 0.92 H new ATOM 0 HG1 THR A 98 11.838 0.404 -2.259 1.00 1.15 H new ATOM 0 HG21 THR A 98 14.231 -1.103 -4.125 1.00 1.12 H new ATOM 0 HG22 THR A 98 15.092 -1.969 -2.829 1.00 1.12 H new ATOM 0 HG23 THR A 98 13.523 -2.573 -3.414 1.00 1.12 H new ATOM 1507 N LYS A 99 14.444 -1.762 1.197 1.00 0.79 N ATOM 1508 CA LYS A 99 15.600 -2.062 1.995 1.00 1.12 C ATOM 1509 C LYS A 99 15.806 -3.551 2.017 1.00 1.36 C ATOM 1510 O LYS A 99 15.006 -4.290 2.588 1.00 2.28 O ATOM 1511 CB LYS A 99 15.464 -1.529 3.411 1.00 1.29 C ATOM 1512 CG LYS A 99 15.704 -0.040 3.537 1.00 1.18 C ATOM 1513 CD LYS A 99 17.089 0.380 3.057 1.00 1.56 C ATOM 1514 CE LYS A 99 17.164 0.533 1.542 1.00 1.98 C ATOM 1515 NZ LYS A 99 18.526 0.936 1.102 1.00 2.72 N ATOM 0 H LYS A 99 13.584 -1.605 1.723 1.00 0.79 H new ATOM 0 HA LYS A 99 16.464 -1.570 1.549 1.00 1.12 H new ATOM 0 HB2 LYS A 99 14.464 -1.757 3.779 1.00 1.29 H new ATOM 0 HB3 LYS A 99 16.168 -2.055 4.055 1.00 1.29 H new ATOM 0 HG2 LYS A 99 14.948 0.495 2.962 1.00 1.18 H new ATOM 0 HG3 LYS A 99 15.581 0.256 4.579 1.00 1.18 H new ATOM 0 HD2 LYS A 99 17.361 1.325 3.528 1.00 1.56 H new ATOM 0 HD3 LYS A 99 17.821 -0.360 3.380 1.00 1.56 H new ATOM 0 HE2 LYS A 99 16.891 -0.409 1.066 1.00 1.98 H new ATOM 0 HE3 LYS A 99 16.439 1.278 1.214 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 18.542 1.031 0.066 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 18.776 1.847 1.537 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 19.213 0.212 1.394 1.00 2.72 H new ATOM 1529 N ARG A 100 16.886 -3.987 1.399 1.00 1.04 N ATOM 1530 CA ARG A 100 17.196 -5.408 1.297 1.00 1.17 C ATOM 1531 C ARG A 100 17.623 -5.977 2.656 1.00 1.12 C ATOM 1532 O ARG A 100 18.218 -7.048 2.746 1.00 1.39 O ATOM 1533 CB ARG A 100 18.285 -5.628 0.246 1.00 1.55 C ATOM 1534 CG ARG A 100 19.576 -4.880 0.532 1.00 2.10 C ATOM 1535 CD ARG A 100 20.545 -4.980 -0.631 1.00 2.50 C ATOM 1536 NE ARG A 100 21.801 -4.287 -0.355 1.00 3.10 N ATOM 1537 CZ ARG A 100 22.723 -4.020 -1.276 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.520 -4.367 -2.543 1.00 3.60 N ATOM 1539 NH2 ARG A 100 23.842 -3.399 -0.926 1.00 4.38 N ATOM 0 H ARG A 100 17.571 -3.376 0.955 1.00 1.04 H new ATOM 0 HA ARG A 100 16.297 -5.940 0.986 1.00 1.17 H new ATOM 0 HB2 ARG A 100 18.501 -6.694 0.179 1.00 1.55 H new ATOM 0 HB3 ARG A 100 17.905 -5.318 -0.727 1.00 1.55 H new ATOM 0 HG2 ARG A 100 19.354 -3.832 0.733 1.00 2.10 H new ATOM 0 HG3 ARG A 100 20.041 -5.285 1.431 1.00 2.10 H new ATOM 0 HD2 ARG A 100 20.749 -6.029 -0.845 1.00 2.50 H new ATOM 0 HD3 ARG A 100 20.085 -4.556 -1.524 1.00 2.50 H new ATOM 0 HE ARG A 100 21.982 -3.989 0.604 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.656 -4.839 -2.810 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.228 -4.161 -3.248 1.00 3.60 H new ATOM 0 HH21 ARG A 100 23.993 -3.128 0.046 1.00 4.38 H new ATOM 0 HH22 ARG A 100 24.552 -3.192 -1.629 1.00 4.38 H new ATOM 1553 N SER A 101 17.272 -5.255 3.707 1.00 1.05 N ATOM 1554 CA SER A 101 17.645 -5.605 5.059 1.00 1.37 C ATOM 1555 C SER A 101 16.400 -5.943 5.871 1.00 1.22 C ATOM 1556 O SER A 101 16.471 -6.649 6.880 1.00 1.64 O ATOM 1557 CB SER A 101 18.408 -4.437 5.688 1.00 1.90 C ATOM 1558 OG SER A 101 17.773 -3.199 5.393 1.00 2.51 O ATOM 0 H SER A 101 16.715 -4.403 3.641 1.00 1.05 H new ATOM 0 HA SER A 101 18.291 -6.483 5.050 1.00 1.37 H new ATOM 0 HB2 SER A 101 18.464 -4.573 6.768 1.00 1.90 H new ATOM 0 HB3 SER A 101 19.432 -4.423 5.315 1.00 1.90 H new ATOM 0 HG SER A 101 18.276 -2.467 5.806 1.00 2.51 H new ATOM 1564 N GLU A 102 15.260 -5.427 5.420 1.00 1.06 N ATOM 1565 CA GLU A 102 13.975 -5.746 6.022 1.00 1.19 C ATOM 1566 C GLU A 102 13.584 -7.159 5.680 1.00 0.93 C ATOM 1567 O GLU A 102 12.992 -7.440 4.640 1.00 1.34 O ATOM 1568 CB GLU A 102 12.906 -4.756 5.559 1.00 1.63 C ATOM 1569 CG GLU A 102 13.209 -3.307 5.929 1.00 2.12 C ATOM 1570 CD GLU A 102 12.930 -2.983 7.388 1.00 2.70 C ATOM 1571 OE1 GLU A 102 13.088 -3.879 8.249 1.00 3.40 O ATOM 1572 OE2 GLU A 102 12.541 -1.830 7.678 1.00 2.95 O ATOM 0 H GLU A 102 15.204 -4.781 4.633 1.00 1.06 H new ATOM 0 HA GLU A 102 14.062 -5.664 7.105 1.00 1.19 H new ATOM 0 HB2 GLU A 102 12.799 -4.830 4.477 1.00 1.63 H new ATOM 0 HB3 GLU A 102 11.948 -5.040 5.994 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.256 -3.096 5.712 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.614 -2.647 5.298 1.00 2.12 H new ATOM 1579 N GLU A 103 13.980 -8.036 6.576 1.00 0.74 N ATOM 1580 CA GLU A 103 13.647 -9.439 6.524 1.00 0.68 C ATOM 1581 C GLU A 103 12.130 -9.643 6.379 1.00 0.54 C ATOM 1582 O GLU A 103 11.667 -10.615 5.781 1.00 0.61 O ATOM 1583 CB GLU A 103 14.190 -10.085 7.799 1.00 0.95 C ATOM 1584 CG GLU A 103 13.386 -11.263 8.275 1.00 1.37 C ATOM 1585 CD GLU A 103 13.492 -12.455 7.343 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.608 -12.732 6.851 1.00 2.58 O ATOM 1587 OE2 GLU A 103 12.471 -13.129 7.103 1.00 2.68 O ATOM 0 H GLU A 103 14.556 -7.785 7.379 1.00 0.74 H new ATOM 0 HA GLU A 103 14.098 -9.909 5.650 1.00 0.68 H new ATOM 0 HB2 GLU A 103 15.217 -10.406 7.623 1.00 0.95 H new ATOM 0 HB3 GLU A 103 14.221 -9.335 8.590 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.726 -11.552 9.269 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.340 -10.971 8.368 1.00 1.37 H new ATOM 1594 N VAL A 104 11.363 -8.711 6.908 1.00 0.40 N ATOM 1595 CA VAL A 104 9.919 -8.736 6.770 1.00 0.33 C ATOM 1596 C VAL A 104 9.436 -7.343 6.400 1.00 0.29 C ATOM 1597 O VAL A 104 9.980 -6.348 6.874 1.00 0.34 O ATOM 1598 CB VAL A 104 9.215 -9.250 8.054 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.596 -8.422 9.272 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.703 -9.278 7.871 1.00 0.37 C ATOM 0 H VAL A 104 11.719 -7.919 7.443 1.00 0.40 H new ATOM 0 HA VAL A 104 9.658 -9.438 5.978 1.00 0.33 H new ATOM 0 HB VAL A 104 9.558 -10.270 8.229 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.084 -8.812 10.152 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.674 -8.476 9.426 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.304 -7.384 9.112 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.233 -9.642 8.785 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.344 -8.272 7.654 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.449 -9.940 7.043 1.00 0.37 H new ATOM 1610 N VAL A 105 8.443 -7.263 5.536 1.00 0.28 N ATOM 1611 CA VAL A 105 8.033 -5.992 4.988 1.00 0.28 C ATOM 1612 C VAL A 105 6.643 -5.606 5.425 1.00 0.26 C ATOM 1613 O VAL A 105 5.663 -6.306 5.177 1.00 0.26 O ATOM 1614 CB VAL A 105 8.135 -5.979 3.468 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.457 -4.746 2.915 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.592 -6.020 3.077 1.00 0.46 C ATOM 0 H VAL A 105 7.908 -8.064 5.201 1.00 0.28 H new ATOM 0 HA VAL A 105 8.723 -5.248 5.385 1.00 0.28 H new ATOM 0 HB VAL A 105 7.632 -6.851 3.051 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.535 -4.745 1.828 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.406 -4.748 3.204 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.941 -3.855 3.314 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.678 -6.011 1.990 1.00 0.46 H new ATOM 0 HG22 VAL A 105 10.104 -5.150 3.488 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.049 -6.929 3.469 1.00 0.46 H new ATOM 1626 N ARG A 106 6.600 -4.491 6.111 1.00 0.29 N ATOM 1627 CA ARG A 106 5.401 -4.009 6.740 1.00 0.28 C ATOM 1628 C ARG A 106 4.740 -2.910 5.932 1.00 0.26 C ATOM 1629 O ARG A 106 5.372 -1.915 5.593 1.00 0.32 O ATOM 1630 CB ARG A 106 5.750 -3.520 8.124 1.00 0.35 C ATOM 1631 CG ARG A 106 6.339 -4.609 8.994 1.00 0.43 C ATOM 1632 CD ARG A 106 7.814 -4.857 8.696 1.00 0.54 C ATOM 1633 NE ARG A 106 8.610 -4.879 9.924 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.924 -4.655 9.970 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.630 -4.611 8.847 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.540 -4.550 11.145 1.00 1.46 N ATOM 0 H ARG A 106 7.410 -3.886 6.249 1.00 0.29 H new ATOM 0 HA ARG A 106 4.681 -4.825 6.801 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.461 -2.698 8.046 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.854 -3.123 8.602 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.224 -4.335 10.043 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.780 -5.533 8.843 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.926 -5.805 8.171 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.189 -4.078 8.032 1.00 0.54 H new ATOM 0 HE ARG A 106 8.129 -5.078 10.801 1.00 0.81 H new ATOM 0 HH11 ARG A 106 10.168 -4.749 7.948 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.635 -4.440 8.883 1.00 1.76 H new ATOM 0 HH21 ARG A 106 10.007 -4.641 12.010 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.545 -4.379 11.181 1.00 1.46 H new ATOM 1650 N LEU A 107 3.481 -3.090 5.630 1.00 0.24 N ATOM 1651 CA LEU A 107 2.719 -2.093 4.900 1.00 0.24 C ATOM 1652 C LEU A 107 1.355 -1.893 5.558 1.00 0.21 C ATOM 1653 O LEU A 107 0.642 -2.861 5.819 1.00 0.28 O ATOM 1654 CB LEU A 107 2.587 -2.525 3.434 1.00 0.37 C ATOM 1655 CG LEU A 107 1.956 -1.506 2.487 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.582 -1.620 1.105 1.00 0.98 C ATOM 1657 CD2 LEU A 107 0.455 -1.718 2.405 1.00 1.12 C ATOM 0 H LEU A 107 2.951 -3.925 5.879 1.00 0.24 H new ATOM 0 HA LEU A 107 3.238 -1.135 4.925 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.580 -2.773 3.059 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.995 -3.439 3.398 1.00 0.37 H new ATOM 0 HG LEU A 107 2.142 -0.505 2.876 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.125 -0.889 0.437 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.653 -1.429 1.174 1.00 0.98 H new ATOM 0 HD13 LEU A 107 2.417 -2.623 0.712 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.020 -0.984 1.726 1.00 1.12 H new ATOM 0 HD22 LEU A 107 0.249 -2.722 2.034 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.016 -1.600 3.396 1.00 1.12 H new ATOM 1669 N LEU A 108 0.982 -0.654 5.839 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.327 -0.378 6.367 1.00 0.15 C ATOM 1671 C LEU A 108 -1.140 0.159 5.229 1.00 0.15 C ATOM 1672 O LEU A 108 -0.712 1.090 4.582 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.215 0.639 7.495 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.523 1.170 8.078 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.431 0.023 8.489 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.220 2.059 9.276 1.00 0.26 C ATOM 0 H LEU A 108 1.572 0.168 5.708 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.798 -1.270 6.780 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.358 0.187 8.304 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.363 1.488 7.130 1.00 0.19 H new ATOM 0 HG LEU A 108 -2.039 1.754 7.316 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.357 0.422 8.902 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.657 -0.592 7.618 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.931 -0.585 9.242 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -2.153 2.438 9.693 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.693 1.480 10.034 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.597 2.896 8.960 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.262 -0.437 4.928 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.993 -0.009 3.764 1.00 0.21 C ATOM 1690 C VAL A 109 -4.425 0.304 4.093 1.00 0.22 C ATOM 1691 O VAL A 109 -5.028 -0.304 4.970 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.940 -1.065 2.642 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.148 -1.983 2.650 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.779 -0.393 1.301 1.00 0.77 C ATOM 0 H VAL A 109 -2.683 -1.201 5.456 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.509 0.902 3.411 1.00 0.21 H new ATOM 0 HB VAL A 109 -2.071 -1.696 2.829 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -4.060 -2.707 1.840 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.199 -2.509 3.603 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -5.054 -1.393 2.512 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.743 -1.149 0.517 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -3.624 0.273 1.124 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.854 0.184 1.292 1.00 0.77 H new ATOM 1704 N THR A 110 -4.953 1.285 3.421 1.00 0.22 N ATOM 1705 CA THR A 110 -6.376 1.469 3.435 1.00 0.25 C ATOM 1706 C THR A 110 -6.979 0.888 2.174 1.00 0.26 C ATOM 1707 O THR A 110 -6.758 1.382 1.067 1.00 0.30 O ATOM 1708 CB THR A 110 -6.758 2.933 3.562 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.675 3.682 4.113 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.959 3.077 4.457 1.00 0.33 C ATOM 0 H THR A 110 -4.430 1.961 2.864 1.00 0.22 H new ATOM 0 HA THR A 110 -6.769 0.949 4.308 1.00 0.25 H new ATOM 0 HB THR A 110 -6.993 3.314 2.568 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.939 3.717 3.467 1.00 0.34 H new ATOM 0 HG21 THR A 110 -8.225 4.131 4.542 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.797 2.524 4.033 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.726 2.681 5.445 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.747 -0.158 2.375 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.320 -0.932 1.310 1.00 0.37 C ATOM 1720 C ARG A 111 -9.815 -0.638 1.233 1.00 0.42 C ATOM 1721 O ARG A 111 -10.520 -0.705 2.238 1.00 0.49 O ATOM 1722 CB ARG A 111 -7.983 -2.394 1.611 1.00 0.53 C ATOM 1723 CG ARG A 111 -9.149 -3.340 1.831 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.609 -4.690 2.274 1.00 0.58 C ATOM 1725 NE ARG A 111 -9.626 -5.586 2.821 1.00 1.06 N ATOM 1726 CZ ARG A 111 -9.335 -6.758 3.394 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -8.078 -7.200 3.408 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -10.299 -7.495 3.933 1.00 2.01 N ATOM 0 H ARG A 111 -7.993 -0.498 3.305 1.00 0.30 H new ATOM 0 HA ARG A 111 -7.921 -0.684 0.327 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -7.385 -2.780 0.786 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -7.354 -2.420 2.500 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -9.824 -2.937 2.586 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -9.726 -3.447 0.913 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.131 -5.176 1.423 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -7.836 -4.532 3.026 1.00 0.58 H new ATOM 0 HE ARG A 111 -10.604 -5.303 2.763 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -7.337 -6.644 2.981 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -7.857 -8.094 3.845 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -11.265 -7.167 3.910 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -10.074 -8.389 4.370 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.296 -0.277 0.055 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.622 0.321 -0.039 1.00 0.71 C ATOM 1744 C GLN A 112 -12.689 -0.674 -0.465 1.00 0.89 C ATOM 1745 O GLN A 112 -13.667 -0.872 0.250 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.625 1.579 -0.927 1.00 0.78 C ATOM 1747 CG GLN A 112 -11.219 1.373 -2.375 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.739 1.600 -2.645 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.362 1.981 -3.750 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.895 1.423 -1.640 1.00 0.66 N ATOM 0 H GLN A 112 -9.804 -0.383 -0.832 1.00 0.56 H new ATOM 0 HA GLN A 112 -11.884 0.637 0.971 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -12.626 2.010 -0.909 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.954 2.314 -0.483 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -11.480 0.357 -2.673 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -11.799 2.049 -3.003 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -9.240 1.106 -0.734 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.900 1.604 -1.772 1.00 0.66 H new ATOM 1759 N SER A 113 -12.501 -1.324 -1.595 1.00 0.79 N ATOM 1760 CA SER A 113 -13.547 -2.180 -2.128 1.00 0.96 C ATOM 1761 C SER A 113 -12.978 -3.185 -3.121 1.00 0.89 C ATOM 1762 O SER A 113 -13.709 -3.768 -3.924 1.00 1.18 O ATOM 1763 CB SER A 113 -14.622 -1.318 -2.796 1.00 1.25 C ATOM 1764 OG SER A 113 -15.892 -1.950 -2.754 1.00 1.62 O ATOM 0 H SER A 113 -11.650 -1.280 -2.156 1.00 0.79 H new ATOM 0 HA SER A 113 -13.993 -2.741 -1.306 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.678 -0.351 -2.296 1.00 1.25 H new ATOM 0 HB3 SER A 113 -14.344 -1.125 -3.832 1.00 1.25 H new ATOM 0 HG SER A 113 -16.558 -1.375 -3.186 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.671 -3.400 -3.052 1.00 0.90 N ATOM 1771 CA LEU A 114 -11.016 -4.364 -3.923 1.00 0.94 C ATOM 1772 C LEU A 114 -11.234 -5.762 -3.376 1.00 1.13 C ATOM 1773 O LEU A 114 -10.324 -6.398 -2.850 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.517 -4.070 -4.068 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.156 -2.780 -4.818 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.897 -2.706 -6.143 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.448 -1.551 -3.969 1.00 1.23 C ATOM 0 H LEU A 114 -11.046 -2.921 -2.404 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.456 -4.286 -4.917 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -9.078 -4.023 -3.072 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -9.050 -4.910 -4.583 1.00 0.90 H new ATOM 0 HG LEU A 114 -8.085 -2.799 -5.022 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.628 -1.785 -6.659 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.624 -3.561 -6.761 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.971 -2.719 -5.960 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.182 -0.653 -4.526 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.509 -1.524 -3.721 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -8.862 -1.595 -3.051 1.00 1.23 H new