USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 980 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 36 GLN :FLIP amide:sc= -0.154 X(o=-2.5!,f=-2.3) USER MOD Set 1.2: B 36 GLN : amide:sc= -2.1! X(o=-2.3!,f=-2.3) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.15! C(o=-0.15!,f=-2.4!) USER MOD Single : A 22 MET CE :methyl -142:sc= -0.0415 (180deg=-1.04) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= -0.563 (180deg=-1.58!) USER MOD Single : B 9 TYR OH : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 GLN : amide:sc= -0.493! C(o=-0.49!,f=-2.5!) USER MOD Single : B 22 MET CE :methyl -140:sc= -0.0295 (180deg=-0.858) USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=0.29) USER MOD Single : B 33 LYS NZ :NH3+ -133:sc= -0.573 (180deg=-1.46!) USER MOD Single : C 9 TYR OH : rot 180:sc= 0 USER MOD Single : C 11 THR OG1 : rot 180:sc= 0 USER MOD Single : C 13 GLN : amide:sc= 0.567 K(o=0.57,f=-2.2!) USER MOD Single : C 22 MET CE :methyl -142:sc= -0.0238 (180deg=-0.935) USER MOD Single : C 27 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : C 33 LYS NZ :NH3+ -130:sc= -0.478 (180deg=-1.57!) USER MOD Single : D 9 TYR OH : rot 180:sc= 0 USER MOD Single : D 11 THR OG1 : rot 180:sc= 0 USER MOD Single : D 13 GLN : amide:sc= -0.154! C(o=-0.15!,f=-2.3!) USER MOD Single : D 22 MET CE :methyl -145:sc= -0.0619 (180deg=-1.18) USER MOD Single : D 27 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : D 33 LYS NZ :NH3+ -137:sc= -0.345 (180deg=-1.54!) USER MOD Single : D 36 GLN :FLIP amide:sc= -0.0406 F(o=-2.2!,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 121 N GLU A 8 14.414 6.696 11.308 1.00 0.65 N ATOM 122 CA GLU A 8 15.459 5.886 10.619 1.00 0.58 C ATOM 123 C GLU A 8 14.973 5.499 9.219 1.00 0.52 C ATOM 124 O GLU A 8 13.821 5.167 9.022 1.00 0.51 O ATOM 125 CB GLU A 8 15.730 4.623 11.438 1.00 0.64 C ATOM 126 CG GLU A 8 16.427 5.005 12.746 1.00 0.75 C ATOM 127 CD GLU A 8 16.698 3.744 13.568 1.00 1.06 C ATOM 128 OE1 GLU A 8 16.208 2.694 13.187 1.00 1.70 O ATOM 129 OE2 GLU A 8 17.387 3.852 14.570 1.00 1.64 O ATOM 0 HA GLU A 8 16.375 6.469 10.528 1.00 0.58 H new ATOM 0 HB2 GLU A 8 14.794 4.106 11.649 1.00 0.64 H new ATOM 0 HB3 GLU A 8 16.354 3.934 10.869 1.00 0.64 H new ATOM 0 HG2 GLU A 8 17.363 5.522 12.534 1.00 0.75 H new ATOM 0 HG3 GLU A 8 15.804 5.695 13.314 1.00 0.75 H new ATOM 136 N TYR A 9 15.845 5.538 8.246 1.00 0.49 N ATOM 137 CA TYR A 9 15.445 5.174 6.851 1.00 0.45 C ATOM 138 C TYR A 9 15.822 3.714 6.574 1.00 0.43 C ATOM 139 O TYR A 9 16.808 3.216 7.080 1.00 0.48 O ATOM 140 CB TYR A 9 16.180 6.082 5.865 1.00 0.47 C ATOM 141 CG TYR A 9 15.813 7.520 6.137 1.00 0.49 C ATOM 142 CD1 TYR A 9 14.703 8.098 5.492 1.00 0.49 C ATOM 143 CD2 TYR A 9 16.580 8.285 7.038 1.00 0.54 C ATOM 144 CE1 TYR A 9 14.360 9.439 5.747 1.00 0.52 C ATOM 145 CE2 TYR A 9 16.238 9.627 7.292 1.00 0.58 C ATOM 146 CZ TYR A 9 15.128 10.204 6.647 1.00 0.56 C ATOM 147 OH TYR A 9 14.792 11.519 6.896 1.00 0.61 O ATOM 0 H TYR A 9 16.823 5.808 8.356 1.00 0.49 H new ATOM 0 HA TYR A 9 14.368 5.299 6.735 1.00 0.45 H new ATOM 0 HB2 TYR A 9 17.257 5.946 5.962 1.00 0.47 H new ATOM 0 HB3 TYR A 9 15.916 5.815 4.842 1.00 0.47 H new ATOM 0 HD1 TYR A 9 14.115 7.512 4.801 1.00 0.49 H new ATOM 0 HD2 TYR A 9 17.431 7.842 7.534 1.00 0.54 H new ATOM 0 HE1 TYR A 9 13.508 9.882 5.253 1.00 0.52 H new ATOM 0 HE2 TYR A 9 16.827 10.213 7.981 1.00 0.58 H new ATOM 0 HH TYR A 9 15.423 11.901 7.541 1.00 0.61 H new ATOM 157 N PHE A 10 15.044 3.025 5.772 1.00 0.39 N ATOM 158 CA PHE A 10 15.353 1.592 5.456 1.00 0.39 C ATOM 159 C PHE A 10 15.175 1.352 3.954 1.00 0.36 C ATOM 160 O PHE A 10 14.239 1.831 3.346 1.00 0.37 O ATOM 161 CB PHE A 10 14.388 0.685 6.221 1.00 0.40 C ATOM 162 CG PHE A 10 14.542 0.918 7.703 1.00 0.44 C ATOM 163 CD1 PHE A 10 15.480 0.170 8.440 1.00 0.51 C ATOM 164 CD2 PHE A 10 13.748 1.883 8.349 1.00 0.47 C ATOM 165 CE1 PHE A 10 15.623 0.388 9.824 1.00 0.57 C ATOM 166 CE2 PHE A 10 13.889 2.101 9.732 1.00 0.54 C ATOM 167 CZ PHE A 10 14.827 1.354 10.470 1.00 0.58 C ATOM 0 H PHE A 10 14.206 3.394 5.322 1.00 0.39 H new ATOM 0 HA PHE A 10 16.380 1.370 5.747 1.00 0.39 H new ATOM 0 HB2 PHE A 10 13.362 0.889 5.915 1.00 0.40 H new ATOM 0 HB3 PHE A 10 14.590 -0.360 5.984 1.00 0.40 H new ATOM 0 HD1 PHE A 10 16.090 -0.571 7.944 1.00 0.51 H new ATOM 0 HD2 PHE A 10 13.029 2.457 7.783 1.00 0.47 H new ATOM 0 HE1 PHE A 10 16.343 -0.185 10.390 1.00 0.57 H new ATOM 0 HE2 PHE A 10 13.278 2.841 10.227 1.00 0.54 H new ATOM 0 HZ PHE A 10 14.936 1.522 11.531 1.00 0.58 H new ATOM 177 N THR A 11 16.062 0.603 3.351 1.00 0.35 N ATOM 178 CA THR A 11 15.939 0.320 1.890 1.00 0.34 C ATOM 179 C THR A 11 15.097 -0.940 1.697 1.00 0.33 C ATOM 180 O THR A 11 15.036 -1.785 2.565 1.00 0.37 O ATOM 181 CB THR A 11 17.331 0.099 1.291 1.00 0.37 C ATOM 182 OG1 THR A 11 17.921 -1.051 1.882 1.00 0.39 O ATOM 183 CG2 THR A 11 18.207 1.322 1.569 1.00 0.42 C ATOM 0 H THR A 11 16.867 0.175 3.808 1.00 0.35 H new ATOM 0 HA THR A 11 15.463 1.164 1.391 1.00 0.34 H new ATOM 0 HB THR A 11 17.245 -0.048 0.214 1.00 0.37 H new ATOM 0 HG1 THR A 11 18.811 -1.195 1.499 1.00 0.39 H new ATOM 0 HG21 THR A 11 19.198 1.164 1.143 1.00 0.42 H new ATOM 0 HG22 THR A 11 17.754 2.204 1.117 1.00 0.42 H new ATOM 0 HG23 THR A 11 18.295 1.470 2.645 1.00 0.42 H new ATOM 191 N LEU A 12 14.451 -1.081 0.569 1.00 0.29 N ATOM 192 CA LEU A 12 13.612 -2.296 0.331 1.00 0.29 C ATOM 193 C LEU A 12 13.674 -2.675 -1.150 1.00 0.27 C ATOM 194 O LEU A 12 13.539 -1.838 -2.022 1.00 0.25 O ATOM 195 CB LEU A 12 12.160 -1.990 0.723 1.00 0.29 C ATOM 196 CG LEU A 12 11.266 -3.218 0.483 1.00 0.30 C ATOM 197 CD1 LEU A 12 11.740 -4.403 1.343 1.00 0.36 C ATOM 198 CD2 LEU A 12 9.824 -2.859 0.856 1.00 0.32 C ATOM 0 H LEU A 12 14.467 -0.409 -0.198 1.00 0.29 H new ATOM 0 HA LEU A 12 13.986 -3.125 0.932 1.00 0.29 H new ATOM 0 HB2 LEU A 12 12.114 -1.699 1.773 1.00 0.29 H new ATOM 0 HB3 LEU A 12 11.791 -1.145 0.142 1.00 0.29 H new ATOM 0 HG LEU A 12 11.323 -3.506 -0.567 1.00 0.30 H new ATOM 0 HD11 LEU A 12 11.097 -5.264 1.162 1.00 0.36 H new ATOM 0 HD12 LEU A 12 12.767 -4.655 1.080 1.00 0.36 H new ATOM 0 HD13 LEU A 12 11.692 -4.130 2.397 1.00 0.36 H new ATOM 0 HD21 LEU A 12 9.180 -3.722 0.690 1.00 0.32 H new ATOM 0 HD22 LEU A 12 9.781 -2.571 1.906 1.00 0.32 H new ATOM 0 HD23 LEU A 12 9.484 -2.028 0.237 1.00 0.32 H new ATOM 210 N GLN A 13 13.872 -3.932 -1.441 1.00 0.29 N ATOM 211 CA GLN A 13 13.936 -4.371 -2.864 1.00 0.29 C ATOM 212 C GLN A 13 12.512 -4.621 -3.370 1.00 0.28 C ATOM 213 O GLN A 13 11.748 -5.334 -2.750 1.00 0.31 O ATOM 214 CB GLN A 13 14.748 -5.664 -2.953 1.00 0.34 C ATOM 215 CG GLN A 13 14.825 -6.121 -4.409 1.00 0.40 C ATOM 216 CD GLN A 13 15.791 -7.300 -4.524 1.00 0.64 C ATOM 217 OE1 GLN A 13 16.494 -7.617 -3.585 1.00 1.37 O ATOM 218 NE2 GLN A 13 15.861 -7.965 -5.645 1.00 0.62 N ATOM 0 H GLN A 13 13.992 -4.675 -0.753 1.00 0.29 H new ATOM 0 HA GLN A 13 14.411 -3.602 -3.473 1.00 0.29 H new ATOM 0 HB2 GLN A 13 15.751 -5.503 -2.558 1.00 0.34 H new ATOM 0 HB3 GLN A 13 14.285 -6.439 -2.342 1.00 0.34 H new ATOM 0 HG2 GLN A 13 13.836 -6.412 -4.762 1.00 0.40 H new ATOM 0 HG3 GLN A 13 15.161 -5.299 -5.042 1.00 0.40 H new ATOM 0 HE21 GLN A 13 15.271 -7.699 -6.433 1.00 0.62 H new ATOM 0 HE22 GLN A 13 16.506 -8.751 -5.733 1.00 0.62 H new ATOM 227 N ILE A 14 12.144 -4.027 -4.483 1.00 0.29 N ATOM 228 CA ILE A 14 10.758 -4.211 -5.030 1.00 0.31 C ATOM 229 C ILE A 14 10.838 -4.831 -6.429 1.00 0.32 C ATOM 230 O ILE A 14 11.421 -4.272 -7.336 1.00 0.33 O ATOM 231 CB ILE A 14 10.081 -2.839 -5.112 1.00 0.35 C ATOM 232 CG1 ILE A 14 10.022 -2.233 -3.704 1.00 0.34 C ATOM 233 CG2 ILE A 14 8.653 -2.997 -5.655 1.00 0.47 C ATOM 234 CD1 ILE A 14 9.582 -0.766 -3.768 1.00 0.39 C ATOM 0 H ILE A 14 12.747 -3.420 -5.039 1.00 0.29 H new ATOM 0 HA ILE A 14 10.183 -4.872 -4.381 1.00 0.31 H new ATOM 0 HB ILE A 14 10.648 -2.189 -5.778 1.00 0.35 H new ATOM 0 HG12 ILE A 14 9.326 -2.801 -3.086 1.00 0.34 H new ATOM 0 HG13 ILE A 14 11.001 -2.305 -3.230 1.00 0.34 H new ATOM 0 HG21 ILE A 14 8.175 -2.019 -5.712 1.00 0.47 H new ATOM 0 HG22 ILE A 14 8.689 -3.442 -6.650 1.00 0.47 H new ATOM 0 HG23 ILE A 14 8.080 -3.643 -4.990 1.00 0.47 H new ATOM 0 HD11 ILE A 14 9.546 -0.353 -2.760 1.00 0.39 H new ATOM 0 HD12 ILE A 14 10.294 -0.198 -4.368 1.00 0.39 H new ATOM 0 HD13 ILE A 14 8.593 -0.702 -4.222 1.00 0.39 H new ATOM 246 N ARG A 15 10.252 -5.983 -6.609 1.00 0.33 N ATOM 247 CA ARG A 15 10.285 -6.641 -7.947 1.00 0.36 C ATOM 248 C ARG A 15 9.292 -5.958 -8.894 1.00 0.38 C ATOM 249 O ARG A 15 8.264 -5.461 -8.477 1.00 0.42 O ATOM 250 CB ARG A 15 9.916 -8.126 -7.792 1.00 0.40 C ATOM 251 CG ARG A 15 10.006 -8.859 -9.155 1.00 0.43 C ATOM 252 CD ARG A 15 8.614 -8.989 -9.795 1.00 0.91 C ATOM 253 NE ARG A 15 8.727 -9.737 -11.078 1.00 1.05 N ATOM 254 CZ ARG A 15 7.656 -10.220 -11.645 1.00 1.50 C ATOM 255 NH1 ARG A 15 6.487 -10.024 -11.098 1.00 2.10 N ATOM 256 NH2 ARG A 15 7.751 -10.890 -12.760 1.00 2.10 N ATOM 0 H ARG A 15 9.750 -6.498 -5.886 1.00 0.33 H new ATOM 0 HA ARG A 15 11.288 -6.554 -8.366 1.00 0.36 H new ATOM 0 HB2 ARG A 15 10.586 -8.599 -7.074 1.00 0.40 H new ATOM 0 HB3 ARG A 15 8.906 -8.215 -7.392 1.00 0.40 H new ATOM 0 HG2 ARG A 15 10.670 -8.312 -9.825 1.00 0.43 H new ATOM 0 HG3 ARG A 15 10.441 -9.849 -9.013 1.00 0.43 H new ATOM 0 HD2 ARG A 15 7.937 -9.509 -9.117 1.00 0.91 H new ATOM 0 HD3 ARG A 15 8.190 -8.001 -9.974 1.00 0.91 H new ATOM 0 HE ARG A 15 9.640 -9.871 -11.512 1.00 1.05 H new ATOM 0 HH11 ARG A 15 6.413 -9.494 -10.229 1.00 2.10 H new ATOM 0 HH12 ARG A 15 5.648 -10.400 -11.539 1.00 2.10 H new ATOM 0 HH21 ARG A 15 8.664 -11.037 -13.190 1.00 2.10 H new ATOM 0 HH22 ARG A 15 6.912 -11.267 -13.202 1.00 2.10 H new ATOM 270 N GLY A 16 9.583 -5.952 -10.168 1.00 0.39 N ATOM 271 CA GLY A 16 8.651 -5.327 -11.154 1.00 0.42 C ATOM 272 C GLY A 16 8.848 -3.810 -11.190 1.00 0.40 C ATOM 273 O GLY A 16 8.731 -3.134 -10.187 1.00 0.39 O ATOM 0 H GLY A 16 10.429 -6.355 -10.570 1.00 0.39 H new ATOM 0 HA2 GLY A 16 8.826 -5.746 -12.145 1.00 0.42 H new ATOM 0 HA3 GLY A 16 7.620 -5.560 -10.887 1.00 0.42 H new ATOM 277 N ARG A 17 9.139 -3.270 -12.346 1.00 0.43 N ATOM 278 CA ARG A 17 9.332 -1.796 -12.451 1.00 0.45 C ATOM 279 C ARG A 17 8.007 -1.092 -12.156 1.00 0.45 C ATOM 280 O ARG A 17 7.965 -0.086 -11.476 1.00 0.44 O ATOM 281 CB ARG A 17 9.784 -1.438 -13.871 1.00 0.50 C ATOM 282 CG ARG A 17 10.117 0.055 -13.942 1.00 0.58 C ATOM 283 CD ARG A 17 10.532 0.422 -15.366 1.00 0.91 C ATOM 284 NE ARG A 17 11.846 -0.208 -15.680 1.00 1.36 N ATOM 285 CZ ARG A 17 12.256 -0.275 -16.917 1.00 1.83 C ATOM 286 NH1 ARG A 17 11.527 0.230 -17.873 1.00 2.18 N ATOM 287 NH2 ARG A 17 13.397 -0.841 -17.198 1.00 2.68 N ATOM 0 H ARG A 17 9.251 -3.786 -13.219 1.00 0.43 H new ATOM 0 HA ARG A 17 10.089 -1.477 -11.735 1.00 0.45 H new ATOM 0 HB2 ARG A 17 10.658 -2.029 -14.146 1.00 0.50 H new ATOM 0 HB3 ARG A 17 8.998 -1.680 -14.586 1.00 0.50 H new ATOM 0 HG2 ARG A 17 9.251 0.645 -13.641 1.00 0.58 H new ATOM 0 HG3 ARG A 17 10.922 0.292 -13.246 1.00 0.58 H new ATOM 0 HD2 ARG A 17 9.776 0.084 -16.075 1.00 0.91 H new ATOM 0 HD3 ARG A 17 10.603 1.505 -15.468 1.00 0.91 H new ATOM 0 HE ARG A 17 12.424 -0.586 -14.929 1.00 1.36 H new ATOM 0 HH11 ARG A 17 10.637 0.677 -17.654 1.00 2.18 H new ATOM 0 HH12 ARG A 17 11.847 0.178 -18.840 1.00 2.18 H new ATOM 0 HH21 ARG A 17 13.970 -1.232 -16.450 1.00 2.68 H new ATOM 0 HH22 ARG A 17 13.716 -0.893 -18.165 1.00 2.68 H new ATOM 301 N GLU A 18 6.922 -1.615 -12.665 1.00 0.50 N ATOM 302 CA GLU A 18 5.602 -0.974 -12.417 1.00 0.54 C ATOM 303 C GLU A 18 5.331 -0.943 -10.915 1.00 0.48 C ATOM 304 O GLU A 18 4.870 0.044 -10.378 1.00 0.44 O ATOM 305 CB GLU A 18 4.506 -1.778 -13.121 1.00 0.62 C ATOM 306 CG GLU A 18 4.641 -1.606 -14.636 1.00 1.19 C ATOM 307 CD GLU A 18 3.547 -2.408 -15.341 1.00 1.58 C ATOM 308 OE1 GLU A 18 2.861 -3.157 -14.666 1.00 2.22 O ATOM 309 OE2 GLU A 18 3.413 -2.258 -16.545 1.00 2.04 O ATOM 0 H GLU A 18 6.895 -2.457 -13.240 1.00 0.50 H new ATOM 0 HA GLU A 18 5.609 0.044 -12.806 1.00 0.54 H new ATOM 0 HB2 GLU A 18 4.586 -2.832 -12.855 1.00 0.62 H new ATOM 0 HB3 GLU A 18 3.523 -1.440 -12.792 1.00 0.62 H new ATOM 0 HG2 GLU A 18 4.562 -0.552 -14.901 1.00 1.19 H new ATOM 0 HG3 GLU A 18 5.624 -1.944 -14.965 1.00 1.19 H new ATOM 316 N ARG A 19 5.624 -2.012 -10.228 1.00 0.48 N ATOM 317 CA ARG A 19 5.394 -2.029 -8.760 1.00 0.46 C ATOM 318 C ARG A 19 6.240 -0.932 -8.114 1.00 0.39 C ATOM 319 O ARG A 19 5.802 -0.238 -7.220 1.00 0.36 O ATOM 320 CB ARG A 19 5.802 -3.389 -8.194 1.00 0.51 C ATOM 321 CG ARG A 19 5.444 -3.454 -6.710 1.00 0.63 C ATOM 322 CD ARG A 19 5.854 -4.816 -6.147 1.00 1.16 C ATOM 323 NE ARG A 19 4.970 -5.870 -6.717 1.00 1.43 N ATOM 324 CZ ARG A 19 5.315 -7.124 -6.635 1.00 2.15 C ATOM 325 NH1 ARG A 19 6.426 -7.457 -6.039 1.00 2.74 N ATOM 326 NH2 ARG A 19 4.548 -8.044 -7.146 1.00 2.77 N ATOM 0 H ARG A 19 6.011 -2.871 -10.619 1.00 0.48 H new ATOM 0 HA ARG A 19 4.339 -1.855 -8.549 1.00 0.46 H new ATOM 0 HB2 ARG A 19 5.295 -4.187 -8.736 1.00 0.51 H new ATOM 0 HB3 ARG A 19 6.873 -3.544 -8.327 1.00 0.51 H new ATOM 0 HG2 ARG A 19 5.951 -2.656 -6.167 1.00 0.63 H new ATOM 0 HG3 ARG A 19 4.373 -3.300 -6.576 1.00 0.63 H new ATOM 0 HD2 ARG A 19 6.895 -5.026 -6.393 1.00 1.16 H new ATOM 0 HD3 ARG A 19 5.778 -4.811 -5.060 1.00 1.16 H new ATOM 0 HE ARG A 19 4.095 -5.611 -7.172 1.00 1.43 H new ATOM 0 HH11 ARG A 19 7.025 -6.736 -5.637 1.00 2.74 H new ATOM 0 HH12 ARG A 19 6.696 -8.439 -5.975 1.00 2.74 H new ATOM 0 HH21 ARG A 19 3.678 -7.783 -7.610 1.00 2.77 H new ATOM 0 HH22 ARG A 19 4.817 -9.026 -7.082 1.00 2.77 H new ATOM 340 N PHE A 20 7.451 -0.765 -8.572 1.00 0.39 N ATOM 341 CA PHE A 20 8.326 0.288 -7.994 1.00 0.35 C ATOM 342 C PHE A 20 7.660 1.649 -8.184 1.00 0.33 C ATOM 343 O PHE A 20 7.564 2.436 -7.264 1.00 0.29 O ATOM 344 CB PHE A 20 9.683 0.274 -8.703 1.00 0.39 C ATOM 345 CG PHE A 20 10.504 1.455 -8.242 1.00 0.37 C ATOM 346 CD1 PHE A 20 11.314 1.345 -7.098 1.00 0.38 C ATOM 347 CD2 PHE A 20 10.453 2.669 -8.955 1.00 0.42 C ATOM 348 CE1 PHE A 20 12.074 2.447 -6.667 1.00 0.40 C ATOM 349 CE2 PHE A 20 11.215 3.772 -8.523 1.00 0.43 C ATOM 350 CZ PHE A 20 12.026 3.661 -7.379 1.00 0.41 C ATOM 0 H PHE A 20 7.870 -1.314 -9.322 1.00 0.39 H new ATOM 0 HA PHE A 20 8.477 0.099 -6.931 1.00 0.35 H new ATOM 0 HB2 PHE A 20 10.209 -0.655 -8.486 1.00 0.39 H new ATOM 0 HB3 PHE A 20 9.542 0.315 -9.783 1.00 0.39 H new ATOM 0 HD1 PHE A 20 11.353 0.415 -6.551 1.00 0.38 H new ATOM 0 HD2 PHE A 20 9.830 2.754 -9.833 1.00 0.42 H new ATOM 0 HE1 PHE A 20 12.696 2.362 -5.788 1.00 0.40 H new ATOM 0 HE2 PHE A 20 11.177 4.703 -9.070 1.00 0.43 H new ATOM 0 HZ PHE A 20 12.611 4.506 -7.047 1.00 0.41 H new ATOM 360 N GLU A 21 7.193 1.934 -9.367 1.00 0.37 N ATOM 361 CA GLU A 21 6.528 3.244 -9.596 1.00 0.38 C ATOM 362 C GLU A 21 5.327 3.333 -8.658 1.00 0.33 C ATOM 363 O GLU A 21 5.057 4.360 -8.066 1.00 0.30 O ATOM 364 CB GLU A 21 6.048 3.322 -11.046 1.00 0.45 C ATOM 365 CG GLU A 21 7.256 3.416 -11.980 1.00 0.58 C ATOM 366 CD GLU A 21 6.776 3.493 -13.430 1.00 0.98 C ATOM 367 OE1 GLU A 21 5.586 3.340 -13.648 1.00 1.53 O ATOM 368 OE2 GLU A 21 7.608 3.697 -14.299 1.00 1.66 O ATOM 0 H GLU A 21 7.243 1.320 -10.180 1.00 0.37 H new ATOM 0 HA GLU A 21 7.221 4.063 -9.405 1.00 0.38 H new ATOM 0 HB2 GLU A 21 5.453 2.442 -11.291 1.00 0.45 H new ATOM 0 HB3 GLU A 21 5.403 4.190 -11.180 1.00 0.45 H new ATOM 0 HG2 GLU A 21 7.850 4.296 -11.735 1.00 0.58 H new ATOM 0 HG3 GLU A 21 7.902 2.548 -11.845 1.00 0.58 H new ATOM 375 N MET A 22 4.612 2.251 -8.508 1.00 0.33 N ATOM 376 CA MET A 22 3.437 2.253 -7.599 1.00 0.30 C ATOM 377 C MET A 22 3.909 2.514 -6.169 1.00 0.26 C ATOM 378 O MET A 22 3.397 3.373 -5.478 1.00 0.25 O ATOM 379 CB MET A 22 2.753 0.891 -7.663 1.00 0.34 C ATOM 380 CG MET A 22 1.429 0.961 -6.914 1.00 0.34 C ATOM 381 SD MET A 22 0.654 -0.673 -6.915 1.00 0.43 S ATOM 382 CE MET A 22 1.257 -1.224 -5.302 1.00 0.44 C ATOM 0 H MET A 22 4.794 1.365 -8.979 1.00 0.33 H new ATOM 0 HA MET A 22 2.736 3.031 -7.902 1.00 0.30 H new ATOM 0 HB2 MET A 22 2.583 0.604 -8.701 1.00 0.34 H new ATOM 0 HB3 MET A 22 3.394 0.127 -7.222 1.00 0.34 H new ATOM 0 HG2 MET A 22 1.595 1.297 -5.890 1.00 0.34 H new ATOM 0 HG3 MET A 22 0.769 1.689 -7.386 1.00 0.34 H new ATOM 0 HE1 MET A 22 1.507 -2.284 -5.350 1.00 0.44 H new ATOM 0 HE2 MET A 22 2.145 -0.653 -5.031 1.00 0.44 H new ATOM 0 HE3 MET A 22 0.483 -1.067 -4.551 1.00 0.44 H new ATOM 392 N PHE A 23 4.895 1.780 -5.726 1.00 0.24 N ATOM 393 CA PHE A 23 5.418 1.985 -4.348 1.00 0.22 C ATOM 394 C PHE A 23 5.963 3.407 -4.239 1.00 0.22 C ATOM 395 O PHE A 23 5.782 4.077 -3.242 1.00 0.22 O ATOM 396 CB PHE A 23 6.529 0.962 -4.056 1.00 0.22 C ATOM 397 CG PHE A 23 5.921 -0.342 -3.570 1.00 0.23 C ATOM 398 CD1 PHE A 23 4.921 -0.986 -4.324 1.00 0.26 C ATOM 399 CD2 PHE A 23 6.357 -0.911 -2.355 1.00 0.26 C ATOM 400 CE1 PHE A 23 4.357 -2.192 -3.865 1.00 0.29 C ATOM 401 CE2 PHE A 23 5.793 -2.117 -1.897 1.00 0.29 C ATOM 402 CZ PHE A 23 4.794 -2.757 -2.651 1.00 0.29 C ATOM 0 H PHE A 23 5.360 1.047 -6.261 1.00 0.24 H new ATOM 0 HA PHE A 23 4.620 1.844 -3.619 1.00 0.22 H new ATOM 0 HB2 PHE A 23 7.117 0.785 -4.956 1.00 0.22 H new ATOM 0 HB3 PHE A 23 7.210 1.358 -3.303 1.00 0.22 H new ATOM 0 HD1 PHE A 23 4.586 -0.554 -5.256 1.00 0.26 H new ATOM 0 HD2 PHE A 23 7.125 -0.421 -1.775 1.00 0.26 H new ATOM 0 HE1 PHE A 23 3.589 -2.684 -4.444 1.00 0.29 H new ATOM 0 HE2 PHE A 23 6.128 -2.550 -0.966 1.00 0.29 H new ATOM 0 HZ PHE A 23 4.361 -3.682 -2.299 1.00 0.29 H new ATOM 412 N ARG A 24 6.624 3.875 -5.260 1.00 0.25 N ATOM 413 CA ARG A 24 7.170 5.257 -5.212 1.00 0.27 C ATOM 414 C ARG A 24 6.020 6.217 -4.926 1.00 0.25 C ATOM 415 O ARG A 24 6.107 7.074 -4.068 1.00 0.26 O ATOM 416 CB ARG A 24 7.790 5.607 -6.567 1.00 0.33 C ATOM 417 CG ARG A 24 8.562 6.927 -6.457 1.00 0.43 C ATOM 418 CD ARG A 24 8.815 7.492 -7.858 1.00 0.88 C ATOM 419 NE ARG A 24 9.308 6.411 -8.757 1.00 1.25 N ATOM 420 CZ ARG A 24 9.281 6.579 -10.051 1.00 1.72 C ATOM 421 NH1 ARG A 24 8.839 7.699 -10.554 1.00 2.19 N ATOM 422 NH2 ARG A 24 9.696 5.629 -10.844 1.00 2.44 N ATOM 0 H ARG A 24 6.809 3.362 -6.122 1.00 0.25 H new ATOM 0 HA ARG A 24 7.932 5.333 -4.436 1.00 0.27 H new ATOM 0 HB2 ARG A 24 8.459 4.809 -6.888 1.00 0.33 H new ATOM 0 HB3 ARG A 24 7.010 5.693 -7.323 1.00 0.33 H new ATOM 0 HG2 ARG A 24 7.995 7.643 -5.862 1.00 0.43 H new ATOM 0 HG3 ARG A 24 9.509 6.764 -5.943 1.00 0.43 H new ATOM 0 HD2 ARG A 24 7.896 7.920 -8.259 1.00 0.88 H new ATOM 0 HD3 ARG A 24 9.547 8.298 -7.808 1.00 0.88 H new ATOM 0 HE ARG A 24 9.666 5.541 -8.362 1.00 1.25 H new ATOM 0 HH11 ARG A 24 8.515 8.443 -9.936 1.00 2.19 H new ATOM 0 HH12 ARG A 24 8.818 7.831 -11.565 1.00 2.19 H new ATOM 0 HH21 ARG A 24 10.042 4.753 -10.453 1.00 2.44 H new ATOM 0 HH22 ARG A 24 9.674 5.763 -11.855 1.00 2.44 H new ATOM 436 N GLU A 25 4.935 6.074 -5.636 1.00 0.25 N ATOM 437 CA GLU A 25 3.770 6.967 -5.405 1.00 0.25 C ATOM 438 C GLU A 25 3.296 6.800 -3.960 1.00 0.21 C ATOM 439 O GLU A 25 3.054 7.763 -3.260 1.00 0.22 O ATOM 440 CB GLU A 25 2.641 6.599 -6.375 1.00 0.28 C ATOM 441 CG GLU A 25 1.446 7.533 -6.162 1.00 0.33 C ATOM 442 CD GLU A 25 0.333 7.164 -7.144 1.00 1.05 C ATOM 443 OE1 GLU A 25 0.587 6.354 -8.020 1.00 1.74 O ATOM 444 OE2 GLU A 25 -0.753 7.702 -7.006 1.00 1.74 O ATOM 0 H GLU A 25 4.807 5.375 -6.367 1.00 0.25 H new ATOM 0 HA GLU A 25 4.056 8.005 -5.576 1.00 0.25 H new ATOM 0 HB2 GLU A 25 2.994 6.675 -7.403 1.00 0.28 H new ATOM 0 HB3 GLU A 25 2.337 5.564 -6.218 1.00 0.28 H new ATOM 0 HG2 GLU A 25 1.084 7.451 -5.137 1.00 0.33 H new ATOM 0 HG3 GLU A 25 1.749 8.569 -6.311 1.00 0.33 H new ATOM 451 N LEU A 26 3.161 5.582 -3.505 1.00 0.20 N ATOM 452 CA LEU A 26 2.706 5.358 -2.105 1.00 0.19 C ATOM 453 C LEU A 26 3.725 5.968 -1.141 1.00 0.20 C ATOM 454 O LEU A 26 3.373 6.643 -0.194 1.00 0.23 O ATOM 455 CB LEU A 26 2.592 3.853 -1.833 1.00 0.20 C ATOM 456 CG LEU A 26 1.499 3.233 -2.715 1.00 0.24 C ATOM 457 CD1 LEU A 26 1.519 1.710 -2.539 1.00 0.29 C ATOM 458 CD2 LEU A 26 0.115 3.782 -2.318 1.00 0.30 C ATOM 0 H LEU A 26 3.346 4.735 -4.043 1.00 0.20 H new ATOM 0 HA LEU A 26 1.733 5.827 -1.961 1.00 0.19 H new ATOM 0 HB2 LEU A 26 3.548 3.367 -2.031 1.00 0.20 H new ATOM 0 HB3 LEU A 26 2.360 3.683 -0.782 1.00 0.20 H new ATOM 0 HG LEU A 26 1.690 3.490 -3.757 1.00 0.24 H new ATOM 0 HD11 LEU A 26 0.745 1.262 -3.162 1.00 0.29 H new ATOM 0 HD12 LEU A 26 2.494 1.322 -2.835 1.00 0.29 H new ATOM 0 HD13 LEU A 26 1.332 1.462 -1.494 1.00 0.29 H new ATOM 0 HD21 LEU A 26 -0.650 3.333 -2.952 1.00 0.30 H new ATOM 0 HD22 LEU A 26 -0.088 3.537 -1.276 1.00 0.30 H new ATOM 0 HD23 LEU A 26 0.103 4.864 -2.445 1.00 0.30 H new ATOM 470 N ASN A 27 4.987 5.729 -1.376 1.00 0.24 N ATOM 471 CA ASN A 27 6.033 6.291 -0.477 1.00 0.29 C ATOM 472 C ASN A 27 5.943 7.818 -0.479 1.00 0.25 C ATOM 473 O ASN A 27 5.906 8.453 0.557 1.00 0.25 O ATOM 474 CB ASN A 27 7.412 5.858 -0.977 1.00 0.38 C ATOM 475 CG ASN A 27 8.493 6.416 -0.050 1.00 0.49 C ATOM 476 OD1 ASN A 27 9.222 7.316 -0.420 1.00 1.22 O ATOM 477 ND2 ASN A 27 8.626 5.916 1.147 1.00 0.58 N ATOM 0 H ASN A 27 5.338 5.168 -2.152 1.00 0.24 H new ATOM 0 HA ASN A 27 5.880 5.923 0.538 1.00 0.29 H new ATOM 0 HB2 ASN A 27 7.473 4.770 -1.010 1.00 0.38 H new ATOM 0 HB3 ASN A 27 7.570 6.217 -1.994 1.00 0.38 H new ATOM 0 HD21 ASN A 27 9.343 6.280 1.775 1.00 0.58 H new ATOM 0 HD22 ASN A 27 8.013 5.161 1.455 1.00 0.58 H new ATOM 484 N GLU A 28 5.906 8.411 -1.640 1.00 0.27 N ATOM 485 CA GLU A 28 5.819 9.895 -1.726 1.00 0.28 C ATOM 486 C GLU A 28 4.527 10.378 -1.070 1.00 0.23 C ATOM 487 O GLU A 28 4.501 11.389 -0.397 1.00 0.25 O ATOM 488 CB GLU A 28 5.835 10.323 -3.193 1.00 0.34 C ATOM 489 CG GLU A 28 7.225 10.075 -3.782 1.00 0.40 C ATOM 490 CD GLU A 28 7.241 10.504 -5.251 1.00 1.00 C ATOM 491 OE1 GLU A 28 6.180 10.819 -5.766 1.00 1.70 O ATOM 492 OE2 GLU A 28 8.311 10.513 -5.834 1.00 1.72 O ATOM 0 H GLU A 28 5.932 7.928 -2.538 1.00 0.27 H new ATOM 0 HA GLU A 28 6.671 10.334 -1.208 1.00 0.28 H new ATOM 0 HB2 GLU A 28 5.086 9.764 -3.754 1.00 0.34 H new ATOM 0 HB3 GLU A 28 5.575 11.378 -3.278 1.00 0.34 H new ATOM 0 HG2 GLU A 28 7.974 10.633 -3.221 1.00 0.40 H new ATOM 0 HG3 GLU A 28 7.484 9.020 -3.697 1.00 0.40 H new ATOM 499 N ALA A 29 3.448 9.672 -1.272 1.00 0.22 N ATOM 500 CA ALA A 29 2.158 10.106 -0.671 1.00 0.23 C ATOM 501 C ALA A 29 2.291 10.153 0.852 1.00 0.22 C ATOM 502 O ALA A 29 1.946 11.132 1.484 1.00 0.24 O ATOM 503 CB ALA A 29 1.057 9.115 -1.064 1.00 0.27 C ATOM 0 H ALA A 29 3.405 8.816 -1.826 1.00 0.22 H new ATOM 0 HA ALA A 29 1.900 11.099 -1.038 1.00 0.23 H new ATOM 0 HB1 ALA A 29 0.110 9.430 -0.625 1.00 0.27 H new ATOM 0 HB2 ALA A 29 0.963 9.088 -2.150 1.00 0.27 H new ATOM 0 HB3 ALA A 29 1.314 8.121 -0.697 1.00 0.27 H new ATOM 509 N LEU A 30 2.789 9.106 1.448 1.00 0.22 N ATOM 510 CA LEU A 30 2.940 9.102 2.927 1.00 0.24 C ATOM 511 C LEU A 30 3.903 10.215 3.341 1.00 0.27 C ATOM 512 O LEU A 30 3.655 10.946 4.278 1.00 0.29 O ATOM 513 CB LEU A 30 3.498 7.752 3.378 1.00 0.25 C ATOM 514 CG LEU A 30 2.449 6.650 3.168 1.00 0.24 C ATOM 515 CD1 LEU A 30 3.090 5.287 3.452 1.00 0.29 C ATOM 516 CD2 LEU A 30 1.243 6.864 4.110 1.00 0.24 C ATOM 0 H LEU A 30 3.097 8.256 0.976 1.00 0.22 H new ATOM 0 HA LEU A 30 1.969 9.268 3.393 1.00 0.24 H new ATOM 0 HB2 LEU A 30 4.401 7.517 2.815 1.00 0.25 H new ATOM 0 HB3 LEU A 30 3.781 7.800 4.430 1.00 0.25 H new ATOM 0 HG LEU A 30 2.094 6.687 2.138 1.00 0.24 H new ATOM 0 HD11 LEU A 30 2.351 4.500 3.305 1.00 0.29 H new ATOM 0 HD12 LEU A 30 3.928 5.130 2.772 1.00 0.29 H new ATOM 0 HD13 LEU A 30 3.448 5.261 4.481 1.00 0.29 H new ATOM 0 HD21 LEU A 30 0.510 6.074 3.947 1.00 0.24 H new ATOM 0 HD22 LEU A 30 1.581 6.838 5.146 1.00 0.24 H new ATOM 0 HD23 LEU A 30 0.786 7.832 3.902 1.00 0.24 H new ATOM 528 N GLU A 31 5.001 10.351 2.650 1.00 0.30 N ATOM 529 CA GLU A 31 5.973 11.421 3.007 1.00 0.35 C ATOM 530 C GLU A 31 5.294 12.784 2.879 1.00 0.32 C ATOM 531 O GLU A 31 5.477 13.662 3.699 1.00 0.34 O ATOM 532 CB GLU A 31 7.176 11.355 2.063 1.00 0.40 C ATOM 533 CG GLU A 31 7.996 10.099 2.367 1.00 0.48 C ATOM 534 CD GLU A 31 9.200 10.030 1.425 1.00 1.13 C ATOM 535 OE1 GLU A 31 9.243 10.813 0.491 1.00 1.68 O ATOM 536 OE2 GLU A 31 10.058 9.192 1.653 1.00 1.91 O ATOM 0 H GLU A 31 5.266 9.769 1.856 1.00 0.30 H new ATOM 0 HA GLU A 31 6.313 11.279 4.033 1.00 0.35 H new ATOM 0 HB2 GLU A 31 6.838 11.339 1.027 1.00 0.40 H new ATOM 0 HB3 GLU A 31 7.795 12.244 2.183 1.00 0.40 H new ATOM 0 HG2 GLU A 31 8.333 10.115 3.403 1.00 0.48 H new ATOM 0 HG3 GLU A 31 7.376 9.210 2.247 1.00 0.48 H new ATOM 543 N LEU A 32 4.507 12.968 1.855 1.00 0.29 N ATOM 544 CA LEU A 32 3.813 14.272 1.676 1.00 0.29 C ATOM 545 C LEU A 32 2.914 14.529 2.885 1.00 0.28 C ATOM 546 O LEU A 32 2.941 15.586 3.483 1.00 0.32 O ATOM 547 CB LEU A 32 2.969 14.233 0.394 1.00 0.29 C ATOM 548 CG LEU A 32 2.240 15.572 0.189 1.00 0.34 C ATOM 549 CD1 LEU A 32 3.259 16.717 0.038 1.00 0.41 C ATOM 550 CD2 LEU A 32 1.379 15.479 -1.076 1.00 0.38 C ATOM 0 H LEU A 32 4.315 12.271 1.135 1.00 0.29 H new ATOM 0 HA LEU A 32 4.547 15.074 1.593 1.00 0.29 H new ATOM 0 HB2 LEU A 32 3.609 14.025 -0.464 1.00 0.29 H new ATOM 0 HB3 LEU A 32 2.243 13.422 0.454 1.00 0.29 H new ATOM 0 HG LEU A 32 1.611 15.778 1.055 1.00 0.34 H new ATOM 0 HD11 LEU A 32 2.729 17.659 -0.106 1.00 0.41 H new ATOM 0 HD12 LEU A 32 3.872 16.780 0.937 1.00 0.41 H new ATOM 0 HD13 LEU A 32 3.898 16.524 -0.824 1.00 0.41 H new ATOM 0 HD21 LEU A 32 0.857 16.423 -1.231 1.00 0.38 H new ATOM 0 HD22 LEU A 32 2.016 15.271 -1.935 1.00 0.38 H new ATOM 0 HD23 LEU A 32 0.650 14.676 -0.962 1.00 0.38 H new ATOM 562 N LYS A 33 2.112 13.565 3.241 1.00 0.27 N ATOM 563 CA LYS A 33 1.205 13.743 4.406 1.00 0.31 C ATOM 564 C LYS A 33 2.032 14.007 5.662 1.00 0.38 C ATOM 565 O LYS A 33 1.693 14.840 6.477 1.00 0.44 O ATOM 566 CB LYS A 33 0.368 12.476 4.596 1.00 0.33 C ATOM 567 CG LYS A 33 -0.652 12.697 5.719 1.00 0.40 C ATOM 568 CD LYS A 33 -1.503 11.432 5.924 1.00 0.45 C ATOM 569 CE LYS A 33 -2.625 11.365 4.880 1.00 0.77 C ATOM 570 NZ LYS A 33 -3.447 12.608 4.949 1.00 1.56 N ATOM 0 H LYS A 33 2.046 12.661 2.774 1.00 0.27 H new ATOM 0 HA LYS A 33 0.543 14.591 4.227 1.00 0.31 H new ATOM 0 HB2 LYS A 33 -0.146 12.225 3.668 1.00 0.33 H new ATOM 0 HB3 LYS A 33 1.015 11.634 4.840 1.00 0.33 H new ATOM 0 HG2 LYS A 33 -0.135 12.950 6.645 1.00 0.40 H new ATOM 0 HG3 LYS A 33 -1.296 13.541 5.473 1.00 0.40 H new ATOM 0 HD2 LYS A 33 -0.873 10.546 5.847 1.00 0.45 H new ATOM 0 HD3 LYS A 33 -1.931 11.433 6.927 1.00 0.45 H new ATOM 0 HE2 LYS A 33 -2.201 11.252 3.882 1.00 0.77 H new ATOM 0 HE3 LYS A 33 -3.252 10.492 5.060 1.00 0.77 H new ATOM 0 HZ1 LYS A 33 -4.456 12.357 4.953 1.00 1.56 H new ATOM 0 HZ2 LYS A 33 -3.216 13.129 5.819 1.00 1.56 H new ATOM 0 HZ3 LYS A 33 -3.242 13.206 4.123 1.00 1.56 H new ATOM 584 N ASP A 34 3.120 13.306 5.822 1.00 0.42 N ATOM 585 CA ASP A 34 3.973 13.518 7.023 1.00 0.51 C ATOM 586 C ASP A 34 4.462 14.964 7.055 1.00 0.51 C ATOM 587 O ASP A 34 4.524 15.585 8.097 1.00 0.59 O ATOM 588 CB ASP A 34 5.176 12.577 6.977 1.00 0.58 C ATOM 589 CG ASP A 34 4.719 11.145 7.245 1.00 0.67 C ATOM 590 OD1 ASP A 34 3.585 10.972 7.660 1.00 1.43 O ATOM 591 OD2 ASP A 34 5.514 10.245 7.038 1.00 1.14 O ATOM 0 H ASP A 34 3.455 12.595 5.172 1.00 0.42 H new ATOM 0 HA ASP A 34 3.387 13.311 7.918 1.00 0.51 H new ATOM 0 HB2 ASP A 34 5.661 12.638 6.003 1.00 0.58 H new ATOM 0 HB3 ASP A 34 5.914 12.878 7.720 1.00 0.58 H new ATOM 596 N ALA A 35 4.821 15.502 5.923 1.00 0.49 N ATOM 597 CA ALA A 35 5.316 16.904 5.894 1.00 0.56 C ATOM 598 C ALA A 35 4.220 17.847 6.393 1.00 0.56 C ATOM 599 O ALA A 35 4.472 18.742 7.175 1.00 0.66 O ATOM 600 CB ALA A 35 5.699 17.278 4.461 1.00 0.64 C ATOM 0 H ALA A 35 4.793 15.031 5.019 1.00 0.49 H new ATOM 0 HA ALA A 35 6.189 16.993 6.540 1.00 0.56 H new ATOM 0 HB1 ALA A 35 6.062 18.305 4.438 1.00 0.64 H new ATOM 0 HB2 ALA A 35 6.483 16.608 4.107 1.00 0.64 H new ATOM 0 HB3 ALA A 35 4.825 17.187 3.815 1.00 0.64 H new ATOM 606 N GLN A 36 3.004 17.657 5.954 1.00 0.53 N ATOM 607 CA GLN A 36 1.901 18.549 6.418 1.00 0.62 C ATOM 608 C GLN A 36 1.381 18.057 7.769 1.00 0.68 C ATOM 609 O GLN A 36 0.613 18.728 8.429 1.00 0.88 O ATOM 610 CB GLN A 36 0.758 18.536 5.401 1.00 0.64 C ATOM 611 CG GLN A 36 1.198 19.258 4.128 1.00 0.97 C ATOM 612 CD GLN A 36 0.054 19.243 3.115 1.00 0.84 C ATOM 613 OE1 GLN A 36 -0.998 18.510 3.352 1.00 1.18 O flip ATOM 614 NE2 GLN A 36 0.112 19.913 2.103 1.00 0.68 N flip ATOM 0 H GLN A 36 2.728 16.927 5.298 1.00 0.53 H new ATOM 0 HA GLN A 36 2.282 19.565 6.519 1.00 0.62 H new ATOM 0 HB2 GLN A 36 0.475 17.509 5.170 1.00 0.64 H new ATOM 0 HB3 GLN A 36 -0.122 19.022 5.821 1.00 0.64 H new ATOM 0 HG2 GLN A 36 1.481 20.285 4.359 1.00 0.97 H new ATOM 0 HG3 GLN A 36 2.078 18.772 3.707 1.00 0.97 H new ATOM 0 HE21 GLN A 36 0.935 20.486 1.917 1.00 0.68 H new ATOM 0 HE22 GLN A 36 -0.662 19.902 1.439 1.00 0.68 H new ATOM 820 N GLU B 8 -14.501 8.103 -11.224 1.00 0.61 N ATOM 821 CA GLU B 8 -15.578 7.270 -10.618 1.00 0.53 C ATOM 822 C GLU B 8 -15.117 6.749 -9.254 1.00 0.47 C ATOM 823 O GLU B 8 -13.977 6.366 -9.076 1.00 0.46 O ATOM 824 CB GLU B 8 -15.881 6.091 -11.544 1.00 0.61 C ATOM 825 CG GLU B 8 -16.566 6.606 -12.812 1.00 0.71 C ATOM 826 CD GLU B 8 -16.822 5.439 -13.769 1.00 0.97 C ATOM 827 OE1 GLU B 8 -16.404 4.338 -13.454 1.00 1.58 O ATOM 828 OE2 GLU B 8 -17.429 5.670 -14.802 1.00 1.61 O ATOM 0 HA GLU B 8 -16.477 7.871 -10.486 1.00 0.53 H new ATOM 0 HB2 GLU B 8 -14.959 5.570 -11.801 1.00 0.61 H new ATOM 0 HB3 GLU B 8 -16.523 5.371 -11.037 1.00 0.61 H new ATOM 0 HG2 GLU B 8 -17.507 7.093 -12.557 1.00 0.71 H new ATOM 0 HG3 GLU B 8 -15.940 7.356 -13.296 1.00 0.71 H new ATOM 835 N TYR B 9 -15.998 6.731 -8.289 1.00 0.43 N ATOM 836 CA TYR B 9 -15.625 6.235 -6.928 1.00 0.39 C ATOM 837 C TYR B 9 -16.040 4.769 -6.785 1.00 0.37 C ATOM 838 O TYR B 9 -17.024 4.338 -7.353 1.00 0.41 O ATOM 839 CB TYR B 9 -16.350 7.071 -5.873 1.00 0.41 C ATOM 840 CG TYR B 9 -15.945 8.518 -6.010 1.00 0.44 C ATOM 841 CD1 TYR B 9 -14.830 9.009 -5.302 1.00 0.43 C ATOM 842 CD2 TYR B 9 -16.682 9.379 -6.846 1.00 0.49 C ATOM 843 CE1 TYR B 9 -14.453 10.359 -5.431 1.00 0.47 C ATOM 844 CE2 TYR B 9 -16.306 10.730 -6.973 1.00 0.53 C ATOM 845 CZ TYR B 9 -15.192 11.220 -6.265 1.00 0.52 C ATOM 846 OH TYR B 9 -14.824 12.544 -6.388 1.00 0.57 O ATOM 0 H TYR B 9 -16.965 7.040 -8.384 1.00 0.43 H new ATOM 0 HA TYR B 9 -14.547 6.321 -6.791 1.00 0.39 H new ATOM 0 HB2 TYR B 9 -17.429 6.972 -5.994 1.00 0.41 H new ATOM 0 HB3 TYR B 9 -16.106 6.707 -4.875 1.00 0.41 H new ATOM 0 HD1 TYR B 9 -14.265 8.349 -4.660 1.00 0.43 H new ATOM 0 HD2 TYR B 9 -17.536 9.003 -7.390 1.00 0.49 H new ATOM 0 HE1 TYR B 9 -13.597 10.735 -4.890 1.00 0.47 H new ATOM 0 HE2 TYR B 9 -16.872 11.390 -7.613 1.00 0.53 H new ATOM 0 HH TYR B 9 -15.438 12.998 -7.002 1.00 0.57 H new ATOM 856 N PHE B 10 -15.297 3.997 -6.027 1.00 0.34 N ATOM 857 CA PHE B 10 -15.647 2.552 -5.840 1.00 0.34 C ATOM 858 C PHE B 10 -15.491 2.176 -4.364 1.00 0.31 C ATOM 859 O PHE B 10 -14.554 2.581 -3.705 1.00 0.32 O ATOM 860 CB PHE B 10 -14.700 1.690 -6.676 1.00 0.35 C ATOM 861 CG PHE B 10 -14.836 2.055 -8.135 1.00 0.39 C ATOM 862 CD1 PHE B 10 -15.784 1.396 -8.941 1.00 0.46 C ATOM 863 CD2 PHE B 10 -14.012 3.054 -8.688 1.00 0.42 C ATOM 864 CE1 PHE B 10 -15.908 1.737 -10.302 1.00 0.52 C ATOM 865 CE2 PHE B 10 -14.135 3.393 -10.048 1.00 0.49 C ATOM 866 CZ PHE B 10 -15.083 2.736 -10.855 1.00 0.53 C ATOM 0 H PHE B 10 -14.462 4.306 -5.529 1.00 0.34 H new ATOM 0 HA PHE B 10 -16.677 2.385 -6.156 1.00 0.34 H new ATOM 0 HB2 PHE B 10 -13.671 1.839 -6.348 1.00 0.35 H new ATOM 0 HB3 PHE B 10 -14.930 0.634 -6.532 1.00 0.35 H new ATOM 0 HD1 PHE B 10 -16.415 0.630 -8.516 1.00 0.46 H new ATOM 0 HD2 PHE B 10 -13.286 3.560 -8.069 1.00 0.42 H new ATOM 0 HE1 PHE B 10 -16.635 1.233 -10.921 1.00 0.52 H new ATOM 0 HE2 PHE B 10 -13.502 4.158 -10.473 1.00 0.49 H new ATOM 0 HZ PHE B 10 -15.178 2.998 -11.898 1.00 0.53 H new ATOM 876 N THR B 11 -16.400 1.392 -3.841 1.00 0.31 N ATOM 877 CA THR B 11 -16.303 0.973 -2.409 1.00 0.31 C ATOM 878 C THR B 11 -15.493 -0.320 -2.325 1.00 0.32 C ATOM 879 O THR B 11 -15.438 -1.083 -3.264 1.00 0.36 O ATOM 880 CB THR B 11 -17.707 0.733 -1.849 1.00 0.34 C ATOM 881 OG1 THR B 11 -18.325 -0.327 -2.565 1.00 0.37 O ATOM 882 CG2 THR B 11 -18.542 2.006 -1.995 1.00 0.38 C ATOM 0 H THR B 11 -17.207 1.023 -4.345 1.00 0.31 H new ATOM 0 HA THR B 11 -15.814 1.755 -1.828 1.00 0.31 H new ATOM 0 HB THR B 11 -17.637 0.467 -0.794 1.00 0.34 H new ATOM 0 HG1 THR B 11 -19.224 -0.483 -2.207 1.00 0.37 H new ATOM 0 HG21 THR B 11 -19.541 1.833 -1.596 1.00 0.38 H new ATOM 0 HG22 THR B 11 -18.067 2.818 -1.445 1.00 0.38 H new ATOM 0 HG23 THR B 11 -18.614 2.275 -3.049 1.00 0.38 H new ATOM 890 N LEU B 12 -14.868 -0.577 -1.206 1.00 0.28 N ATOM 891 CA LEU B 12 -14.059 -1.828 -1.067 1.00 0.30 C ATOM 892 C LEU B 12 -14.145 -2.330 0.375 1.00 0.28 C ATOM 893 O LEU B 12 -14.002 -1.574 1.315 1.00 0.27 O ATOM 894 CB LEU B 12 -12.598 -1.522 -1.421 1.00 0.30 C ATOM 895 CG LEU B 12 -11.732 -2.785 -1.284 1.00 0.31 C ATOM 896 CD1 LEU B 12 -12.228 -3.879 -2.245 1.00 0.36 C ATOM 897 CD2 LEU B 12 -10.278 -2.427 -1.614 1.00 0.34 C ATOM 0 H LEU B 12 -14.882 0.024 -0.382 1.00 0.28 H new ATOM 0 HA LEU B 12 -14.444 -2.595 -1.739 1.00 0.30 H new ATOM 0 HB2 LEU B 12 -12.537 -1.142 -2.441 1.00 0.30 H new ATOM 0 HB3 LEU B 12 -12.216 -0.739 -0.766 1.00 0.30 H new ATOM 0 HG LEU B 12 -11.801 -3.163 -0.264 1.00 0.31 H new ATOM 0 HD11 LEU B 12 -11.606 -4.767 -2.137 1.00 0.36 H new ATOM 0 HD12 LEU B 12 -13.262 -4.129 -2.009 1.00 0.36 H new ATOM 0 HD13 LEU B 12 -12.168 -3.516 -3.271 1.00 0.36 H new ATOM 0 HD21 LEU B 12 -9.654 -3.316 -1.520 1.00 0.34 H new ATOM 0 HD22 LEU B 12 -10.219 -2.049 -2.634 1.00 0.34 H new ATOM 0 HD23 LEU B 12 -9.926 -1.662 -0.922 1.00 0.34 H new ATOM 909 N GLN B 13 -14.371 -3.603 0.555 1.00 0.31 N ATOM 910 CA GLN B 13 -14.460 -4.160 1.935 1.00 0.32 C ATOM 911 C GLN B 13 -13.047 -4.489 2.427 1.00 0.32 C ATOM 912 O GLN B 13 -12.295 -5.168 1.754 1.00 0.34 O ATOM 913 CB GLN B 13 -15.307 -5.433 1.906 1.00 0.36 C ATOM 914 CG GLN B 13 -15.426 -6.001 3.318 1.00 0.42 C ATOM 915 CD GLN B 13 -16.426 -7.159 3.317 1.00 0.62 C ATOM 916 OE1 GLN B 13 -17.119 -7.377 2.342 1.00 1.36 O ATOM 917 NE2 GLN B 13 -16.524 -7.923 4.370 1.00 0.59 N ATOM 0 H GLN B 13 -14.498 -4.282 -0.195 1.00 0.31 H new ATOM 0 HA GLN B 13 -14.921 -3.435 2.606 1.00 0.32 H new ATOM 0 HB2 GLN B 13 -16.297 -5.214 1.507 1.00 0.36 H new ATOM 0 HB3 GLN B 13 -14.852 -6.170 1.244 1.00 0.36 H new ATOM 0 HG2 GLN B 13 -14.453 -6.347 3.666 1.00 0.42 H new ATOM 0 HG3 GLN B 13 -15.754 -5.224 4.008 1.00 0.42 H new ATOM 0 HE21 GLN B 13 -15.943 -7.741 5.188 1.00 0.59 H new ATOM 0 HE22 GLN B 13 -17.182 -8.703 4.375 1.00 0.59 H new ATOM 926 N ILE B 14 -12.674 -4.003 3.590 1.00 0.32 N ATOM 927 CA ILE B 14 -11.299 -4.271 4.129 1.00 0.34 C ATOM 928 C ILE B 14 -11.410 -5.007 5.469 1.00 0.35 C ATOM 929 O ILE B 14 -11.987 -4.510 6.418 1.00 0.37 O ATOM 930 CB ILE B 14 -10.587 -2.927 4.334 1.00 0.36 C ATOM 931 CG1 ILE B 14 -10.499 -2.206 2.981 1.00 0.34 C ATOM 932 CG2 ILE B 14 -9.170 -3.166 4.871 1.00 0.49 C ATOM 933 CD1 ILE B 14 -10.023 -0.759 3.174 1.00 0.39 C ATOM 0 H ILE B 14 -13.266 -3.430 4.192 1.00 0.32 H new ATOM 0 HA ILE B 14 -10.734 -4.889 3.431 1.00 0.34 H new ATOM 0 HB ILE B 14 -11.144 -2.322 5.050 1.00 0.36 H new ATOM 0 HG12 ILE B 14 -9.811 -2.737 2.323 1.00 0.34 H new ATOM 0 HG13 ILE B 14 -11.474 -2.213 2.494 1.00 0.34 H new ATOM 0 HG21 ILE B 14 -8.669 -2.209 5.015 1.00 0.49 H new ATOM 0 HG22 ILE B 14 -9.226 -3.693 5.824 1.00 0.49 H new ATOM 0 HG23 ILE B 14 -8.607 -3.767 4.157 1.00 0.49 H new ATOM 0 HD11 ILE B 14 -9.966 -0.262 2.205 1.00 0.39 H new ATOM 0 HD12 ILE B 14 -10.727 -0.227 3.814 1.00 0.39 H new ATOM 0 HD13 ILE B 14 -9.038 -0.759 3.640 1.00 0.39 H new ATOM 945 N ARG B 15 -10.858 -6.187 5.552 1.00 0.36 N ATOM 946 CA ARG B 15 -10.921 -6.961 6.824 1.00 0.40 C ATOM 947 C ARG B 15 -9.918 -6.392 7.833 1.00 0.41 C ATOM 948 O ARG B 15 -8.875 -5.887 7.471 1.00 0.43 O ATOM 949 CB ARG B 15 -10.587 -8.437 6.543 1.00 0.44 C ATOM 950 CG ARG B 15 -10.705 -9.283 7.838 1.00 0.46 C ATOM 951 CD ARG B 15 -9.320 -9.507 8.468 1.00 0.93 C ATOM 952 NE ARG B 15 -9.460 -10.369 9.676 1.00 1.07 N ATOM 953 CZ ARG B 15 -8.402 -10.912 10.214 1.00 1.50 C ATOM 954 NH1 ARG B 15 -7.225 -10.700 9.691 1.00 2.10 N ATOM 955 NH2 ARG B 15 -8.520 -11.664 11.274 1.00 2.10 N ATOM 0 H ARG B 15 -10.364 -6.650 4.789 1.00 0.36 H new ATOM 0 HA ARG B 15 -11.926 -6.886 7.239 1.00 0.40 H new ATOM 0 HB2 ARG B 15 -11.263 -8.830 5.784 1.00 0.44 H new ATOM 0 HB3 ARG B 15 -9.577 -8.516 6.142 1.00 0.44 H new ATOM 0 HG2 ARG B 15 -11.357 -8.778 8.551 1.00 0.46 H new ATOM 0 HG3 ARG B 15 -11.166 -10.244 7.610 1.00 0.46 H new ATOM 0 HD2 ARG B 15 -8.652 -9.978 7.747 1.00 0.93 H new ATOM 0 HD3 ARG B 15 -8.873 -8.551 8.740 1.00 0.93 H new ATOM 0 HE ARG B 15 -10.381 -10.534 10.082 1.00 1.07 H new ATOM 0 HH11 ARG B 15 -7.133 -10.111 8.863 1.00 2.10 H new ATOM 0 HH12 ARG B 15 -6.397 -11.123 10.110 1.00 2.10 H new ATOM 0 HH21 ARG B 15 -9.440 -11.828 11.683 1.00 2.10 H new ATOM 0 HH22 ARG B 15 -7.692 -12.088 11.693 1.00 2.10 H new ATOM 969 N GLY B 16 -10.222 -6.493 9.101 1.00 0.42 N ATOM 970 CA GLY B 16 -9.282 -5.982 10.144 1.00 0.44 C ATOM 971 C GLY B 16 -9.445 -4.471 10.313 1.00 0.41 C ATOM 972 O GLY B 16 -9.311 -3.712 9.372 1.00 0.39 O ATOM 0 H GLY B 16 -11.082 -6.908 9.460 1.00 0.42 H new ATOM 0 HA2 GLY B 16 -9.474 -6.483 11.093 1.00 0.44 H new ATOM 0 HA3 GLY B 16 -8.255 -6.214 9.862 1.00 0.44 H new ATOM 976 N ARG B 17 -9.723 -4.027 11.509 1.00 0.45 N ATOM 977 CA ARG B 17 -9.881 -2.564 11.743 1.00 0.46 C ATOM 978 C ARG B 17 -8.533 -1.872 11.526 1.00 0.45 C ATOM 979 O ARG B 17 -8.456 -0.810 10.940 1.00 0.43 O ATOM 980 CB ARG B 17 -10.342 -2.325 13.183 1.00 0.52 C ATOM 981 CG ARG B 17 -10.643 -0.839 13.385 1.00 0.57 C ATOM 982 CD ARG B 17 -11.063 -0.594 14.836 1.00 0.93 C ATOM 983 NE ARG B 17 -12.389 -1.222 15.084 1.00 1.39 N ATOM 984 CZ ARG B 17 -12.816 -1.377 16.307 1.00 1.89 C ATOM 985 NH1 ARG B 17 -12.086 -0.971 17.309 1.00 2.25 N ATOM 986 NH2 ARG B 17 -13.975 -1.935 16.528 1.00 2.72 N ATOM 0 H ARG B 17 -9.847 -4.614 12.334 1.00 0.45 H new ATOM 0 HA ARG B 17 -10.620 -2.161 11.051 1.00 0.46 H new ATOM 0 HB2 ARG B 17 -11.231 -2.919 13.394 1.00 0.52 H new ATOM 0 HB3 ARG B 17 -9.570 -2.648 13.881 1.00 0.52 H new ATOM 0 HG2 ARG B 17 -9.762 -0.243 13.145 1.00 0.57 H new ATOM 0 HG3 ARG B 17 -11.436 -0.523 12.708 1.00 0.57 H new ATOM 0 HD2 ARG B 17 -10.319 -1.010 15.516 1.00 0.93 H new ATOM 0 HD3 ARG B 17 -11.113 0.477 15.035 1.00 0.93 H new ATOM 0 HE ARG B 17 -12.963 -1.531 14.299 1.00 1.39 H new ATOM 0 HH11 ARG B 17 -11.181 -0.532 17.136 1.00 2.25 H new ATOM 0 HH12 ARG B 17 -12.420 -1.092 18.265 1.00 2.25 H new ATOM 0 HH21 ARG B 17 -14.547 -2.250 15.744 1.00 2.72 H new ATOM 0 HH22 ARG B 17 -14.309 -2.056 17.484 1.00 2.72 H new ATOM 1000 N GLU B 18 -7.469 -2.468 11.995 1.00 0.49 N ATOM 1001 CA GLU B 18 -6.129 -1.844 11.818 1.00 0.52 C ATOM 1002 C GLU B 18 -5.842 -1.686 10.326 1.00 0.46 C ATOM 1003 O GLU B 18 -5.341 -0.671 9.884 1.00 0.43 O ATOM 1004 CB GLU B 18 -5.060 -2.737 12.451 1.00 0.60 C ATOM 1005 CG GLU B 18 -5.203 -2.700 13.973 1.00 1.16 C ATOM 1006 CD GLU B 18 -4.136 -3.591 14.610 1.00 1.55 C ATOM 1007 OE1 GLU B 18 -3.473 -4.304 13.876 1.00 2.21 O ATOM 1008 OE2 GLU B 18 -3.997 -3.543 15.821 1.00 2.01 O ATOM 0 H GLU B 18 -7.472 -3.359 12.492 1.00 0.49 H new ATOM 0 HA GLU B 18 -6.114 -0.867 12.301 1.00 0.52 H new ATOM 0 HB2 GLU B 18 -5.165 -3.760 12.090 1.00 0.60 H new ATOM 0 HB3 GLU B 18 -4.067 -2.396 12.160 1.00 0.60 H new ATOM 0 HG2 GLU B 18 -5.099 -1.677 14.333 1.00 1.16 H new ATOM 0 HG3 GLU B 18 -6.197 -3.041 14.263 1.00 1.16 H new ATOM 1015 N ARG B 19 -6.165 -2.680 9.542 1.00 0.46 N ATOM 1016 CA ARG B 19 -5.920 -2.577 8.078 1.00 0.43 C ATOM 1017 C ARG B 19 -6.731 -1.407 7.523 1.00 0.37 C ATOM 1018 O ARG B 19 -6.269 -0.654 6.691 1.00 0.34 O ATOM 1019 CB ARG B 19 -6.354 -3.872 7.393 1.00 0.49 C ATOM 1020 CG ARG B 19 -5.988 -3.811 5.909 1.00 0.62 C ATOM 1021 CD ARG B 19 -6.424 -5.107 5.227 1.00 1.13 C ATOM 1022 NE ARG B 19 -5.575 -6.231 5.712 1.00 1.43 N ATOM 1023 CZ ARG B 19 -5.952 -7.464 5.516 1.00 2.16 C ATOM 1024 NH1 ARG B 19 -7.066 -7.714 4.884 1.00 2.75 N ATOM 1025 NH2 ARG B 19 -5.214 -8.446 5.951 1.00 2.79 N ATOM 0 H ARG B 19 -6.586 -3.555 9.853 1.00 0.46 H new ATOM 0 HA ARG B 19 -4.859 -2.413 7.891 1.00 0.43 H new ATOM 0 HB2 ARG B 19 -5.867 -4.726 7.864 1.00 0.49 H new ATOM 0 HB3 ARG B 19 -7.429 -4.014 7.508 1.00 0.49 H new ATOM 0 HG2 ARG B 19 -6.475 -2.957 5.438 1.00 0.62 H new ATOM 0 HG3 ARG B 19 -4.913 -3.669 5.793 1.00 0.62 H new ATOM 0 HD2 ARG B 19 -7.473 -5.310 5.443 1.00 1.13 H new ATOM 0 HD3 ARG B 19 -6.334 -5.010 4.145 1.00 1.13 H new ATOM 0 HE ARG B 19 -4.699 -6.036 6.197 1.00 1.43 H new ATOM 0 HH11 ARG B 19 -7.643 -6.945 4.543 1.00 2.75 H new ATOM 0 HH12 ARG B 19 -7.360 -8.679 4.731 1.00 2.75 H new ATOM 0 HH21 ARG B 19 -4.343 -8.250 6.444 1.00 2.79 H new ATOM 0 HH22 ARG B 19 -5.507 -9.411 5.799 1.00 2.79 H new ATOM 1039 N PHE B 20 -7.938 -1.245 7.989 1.00 0.37 N ATOM 1040 CA PHE B 20 -8.777 -0.120 7.500 1.00 0.34 C ATOM 1041 C PHE B 20 -8.071 1.199 7.810 1.00 0.32 C ATOM 1042 O PHE B 20 -7.939 2.055 6.960 1.00 0.29 O ATOM 1043 CB PHE B 20 -10.143 -0.158 8.192 1.00 0.38 C ATOM 1044 CG PHE B 20 -10.925 1.079 7.826 1.00 0.37 C ATOM 1045 CD1 PHE B 20 -11.730 1.088 6.673 1.00 0.38 C ATOM 1046 CD2 PHE B 20 -10.849 2.226 8.640 1.00 0.42 C ATOM 1047 CE1 PHE B 20 -12.458 2.243 6.332 1.00 0.40 C ATOM 1048 CE2 PHE B 20 -11.578 3.382 8.300 1.00 0.45 C ATOM 1049 CZ PHE B 20 -12.382 3.390 7.145 1.00 0.42 C ATOM 0 H PHE B 20 -8.378 -1.844 8.687 1.00 0.37 H new ATOM 0 HA PHE B 20 -8.925 -0.209 6.424 1.00 0.34 H new ATOM 0 HB2 PHE B 20 -10.691 -1.051 7.890 1.00 0.38 H new ATOM 0 HB3 PHE B 20 -10.014 -0.213 9.273 1.00 0.38 H new ATOM 0 HD1 PHE B 20 -11.790 0.208 6.049 1.00 0.38 H new ATOM 0 HD2 PHE B 20 -10.231 2.219 9.526 1.00 0.42 H new ATOM 0 HE1 PHE B 20 -13.075 2.250 5.446 1.00 0.40 H new ATOM 0 HE2 PHE B 20 -11.520 4.261 8.925 1.00 0.45 H new ATOM 0 HZ PHE B 20 -12.941 4.276 6.882 1.00 0.42 H new ATOM 1059 N GLU B 21 -7.608 1.368 9.017 1.00 0.37 N ATOM 1060 CA GLU B 21 -6.908 2.633 9.360 1.00 0.39 C ATOM 1061 C GLU B 21 -5.695 2.773 8.443 1.00 0.34 C ATOM 1062 O GLU B 21 -5.396 3.841 7.946 1.00 0.33 O ATOM 1063 CB GLU B 21 -6.439 2.573 10.814 1.00 0.46 C ATOM 1064 CG GLU B 21 -7.649 2.643 11.748 1.00 0.60 C ATOM 1065 CD GLU B 21 -7.180 2.557 13.203 1.00 1.00 C ATOM 1066 OE1 GLU B 21 -5.991 2.374 13.412 1.00 1.56 O ATOM 1067 OE2 GLU B 21 -8.018 2.668 14.081 1.00 1.68 O ATOM 0 H GLU B 21 -7.684 0.689 9.775 1.00 0.37 H new ATOM 0 HA GLU B 21 -7.578 3.483 9.233 1.00 0.39 H new ATOM 0 HB2 GLU B 21 -5.884 1.651 10.990 1.00 0.46 H new ATOM 0 HB3 GLU B 21 -5.759 3.399 11.021 1.00 0.46 H new ATOM 0 HG2 GLU B 21 -8.194 3.573 11.585 1.00 0.60 H new ATOM 0 HG3 GLU B 21 -8.338 1.828 11.529 1.00 0.60 H new ATOM 1074 N MET B 22 -5.002 1.692 8.201 1.00 0.33 N ATOM 1075 CA MET B 22 -3.817 1.748 7.301 1.00 0.31 C ATOM 1076 C MET B 22 -4.276 2.141 5.896 1.00 0.27 C ATOM 1077 O MET B 22 -3.742 3.046 5.285 1.00 0.27 O ATOM 1078 CB MET B 22 -3.155 0.371 7.252 1.00 0.34 C ATOM 1079 CG MET B 22 -1.823 0.481 6.515 1.00 0.34 C ATOM 1080 SD MET B 22 -1.072 -1.160 6.373 1.00 0.43 S ATOM 1081 CE MET B 22 -1.713 -1.570 4.732 1.00 0.43 C ATOM 0 H MET B 22 -5.207 0.771 8.589 1.00 0.33 H new ATOM 0 HA MET B 22 -3.103 2.482 7.674 1.00 0.31 H new ATOM 0 HB2 MET B 22 -2.995 -0.005 8.262 1.00 0.34 H new ATOM 0 HB3 MET B 22 -3.807 -0.341 6.746 1.00 0.34 H new ATOM 0 HG2 MET B 22 -1.978 0.908 5.524 1.00 0.34 H new ATOM 0 HG3 MET B 22 -1.153 1.154 7.051 1.00 0.34 H new ATOM 0 HE1 MET B 22 -2.012 -2.618 4.710 1.00 0.43 H new ATOM 0 HE2 MET B 22 -2.576 -0.942 4.511 1.00 0.43 H new ATOM 0 HE3 MET B 22 -0.938 -1.398 3.985 1.00 0.43 H new ATOM 1091 N PHE B 23 -5.276 1.473 5.386 1.00 0.25 N ATOM 1092 CA PHE B 23 -5.786 1.810 4.028 1.00 0.22 C ATOM 1093 C PHE B 23 -6.298 3.251 4.037 1.00 0.22 C ATOM 1094 O PHE B 23 -6.095 3.998 3.101 1.00 0.22 O ATOM 1095 CB PHE B 23 -6.920 0.843 3.643 1.00 0.22 C ATOM 1096 CG PHE B 23 -6.341 -0.425 3.043 1.00 0.22 C ATOM 1097 CD1 PHE B 23 -5.365 -1.159 3.743 1.00 0.25 C ATOM 1098 CD2 PHE B 23 -6.780 -0.870 1.779 1.00 0.26 C ATOM 1099 CE1 PHE B 23 -4.827 -2.333 3.181 1.00 0.28 C ATOM 1100 CE2 PHE B 23 -6.243 -2.044 1.218 1.00 0.28 C ATOM 1101 CZ PHE B 23 -5.267 -2.776 1.919 1.00 0.28 C ATOM 0 H PHE B 23 -5.762 0.707 5.853 1.00 0.25 H new ATOM 0 HA PHE B 23 -4.985 1.714 3.295 1.00 0.22 H new ATOM 0 HB2 PHE B 23 -7.516 0.600 4.523 1.00 0.22 H new ATOM 0 HB3 PHE B 23 -7.589 1.321 2.927 1.00 0.22 H new ATOM 0 HD1 PHE B 23 -5.028 -0.822 4.712 1.00 0.25 H new ATOM 0 HD2 PHE B 23 -7.530 -0.309 1.240 1.00 0.26 H new ATOM 0 HE1 PHE B 23 -4.077 -2.894 3.718 1.00 0.28 H new ATOM 0 HE2 PHE B 23 -6.580 -2.383 0.250 1.00 0.28 H new ATOM 0 HZ PHE B 23 -4.856 -3.677 1.489 1.00 0.28 H new ATOM 1111 N ARG B 24 -6.955 3.650 5.089 1.00 0.25 N ATOM 1112 CA ARG B 24 -7.464 5.044 5.151 1.00 0.28 C ATOM 1113 C ARG B 24 -6.287 5.995 4.960 1.00 0.27 C ATOM 1114 O ARG B 24 -6.340 6.923 4.177 1.00 0.27 O ATOM 1115 CB ARG B 24 -8.092 5.297 6.524 1.00 0.34 C ATOM 1116 CG ARG B 24 -8.831 6.639 6.518 1.00 0.42 C ATOM 1117 CD ARG B 24 -9.095 7.086 7.959 1.00 0.91 C ATOM 1118 NE ARG B 24 -9.604 5.938 8.760 1.00 1.33 N ATOM 1119 CZ ARG B 24 -9.590 5.997 10.064 1.00 1.80 C ATOM 1120 NH1 ARG B 24 -9.130 7.061 10.664 1.00 2.22 N ATOM 1121 NH2 ARG B 24 -10.029 4.992 10.769 1.00 2.52 N ATOM 0 H ARG B 24 -7.160 3.073 5.905 1.00 0.25 H new ATOM 0 HA ARG B 24 -8.213 5.203 4.375 1.00 0.28 H new ATOM 0 HB2 ARG B 24 -8.784 4.492 6.772 1.00 0.34 H new ATOM 0 HB3 ARG B 24 -7.319 5.301 7.292 1.00 0.34 H new ATOM 0 HG2 ARG B 24 -8.238 7.390 5.996 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -9.773 6.545 5.977 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -8.178 7.472 8.403 1.00 0.91 H new ATOM 0 HD3 ARG B 24 -9.821 7.899 7.970 1.00 0.91 H new ATOM 0 HE ARG B 24 -9.963 5.107 8.290 1.00 1.33 H new ATOM 0 HH11 ARG B 24 -8.782 7.846 10.114 1.00 2.22 H new ATOM 0 HH12 ARG B 24 -9.119 7.107 11.683 1.00 2.22 H new ATOM 0 HH21 ARG B 24 -10.384 4.158 10.302 1.00 2.52 H new ATOM 0 HH22 ARG B 24 -10.017 5.040 11.788 1.00 2.52 H new ATOM 1135 N GLU B 25 -5.216 5.764 5.669 1.00 0.27 N ATOM 1136 CA GLU B 25 -4.028 6.643 5.525 1.00 0.27 C ATOM 1137 C GLU B 25 -3.542 6.587 4.076 1.00 0.23 C ATOM 1138 O GLU B 25 -3.273 7.600 3.462 1.00 0.24 O ATOM 1139 CB GLU B 25 -2.924 6.162 6.470 1.00 0.31 C ATOM 1140 CG GLU B 25 -1.701 7.078 6.353 1.00 0.35 C ATOM 1141 CD GLU B 25 -0.612 6.599 7.316 1.00 1.03 C ATOM 1142 OE1 GLU B 25 -0.896 5.717 8.109 1.00 1.71 O ATOM 1143 OE2 GLU B 25 0.485 7.128 7.248 1.00 1.75 O ATOM 0 H GLU B 25 -5.115 5.004 6.341 1.00 0.27 H new ATOM 0 HA GLU B 25 -4.288 7.671 5.779 1.00 0.27 H new ATOM 0 HB2 GLU B 25 -3.289 6.158 7.497 1.00 0.31 H new ATOM 0 HB3 GLU B 25 -2.646 5.137 6.226 1.00 0.31 H new ATOM 0 HG2 GLU B 25 -1.325 7.072 5.330 1.00 0.35 H new ATOM 0 HG3 GLU B 25 -1.980 8.106 6.584 1.00 0.35 H new ATOM 1150 N LEU B 26 -3.435 5.409 3.520 1.00 0.21 N ATOM 1151 CA LEU B 26 -2.973 5.294 2.108 1.00 0.20 C ATOM 1152 C LEU B 26 -3.968 6.009 1.195 1.00 0.21 C ATOM 1153 O LEU B 26 -3.593 6.750 0.309 1.00 0.23 O ATOM 1154 CB LEU B 26 -2.897 3.817 1.704 1.00 0.22 C ATOM 1155 CG LEU B 26 -1.828 3.090 2.531 1.00 0.25 C ATOM 1156 CD1 LEU B 26 -1.892 1.592 2.218 1.00 0.31 C ATOM 1157 CD2 LEU B 26 -0.426 3.627 2.186 1.00 0.30 C ATOM 0 H LEU B 26 -3.647 4.525 3.982 1.00 0.21 H new ATOM 0 HA LEU B 26 -1.986 5.747 2.014 1.00 0.20 H new ATOM 0 HB2 LEU B 26 -3.867 3.342 1.854 1.00 0.22 H new ATOM 0 HB3 LEU B 26 -2.663 3.735 0.643 1.00 0.22 H new ATOM 0 HG LEU B 26 -2.016 3.261 3.591 1.00 0.25 H new ATOM 0 HD11 LEU B 26 -1.136 1.066 2.801 1.00 0.31 H new ATOM 0 HD12 LEU B 26 -2.880 1.209 2.474 1.00 0.31 H new ATOM 0 HD13 LEU B 26 -1.706 1.434 1.156 1.00 0.31 H new ATOM 0 HD21 LEU B 26 0.321 3.102 2.781 1.00 0.30 H new ATOM 0 HD22 LEU B 26 -0.225 3.466 1.127 1.00 0.30 H new ATOM 0 HD23 LEU B 26 -0.381 4.694 2.406 1.00 0.30 H new ATOM 1169 N ASN B 27 -5.237 5.784 1.402 1.00 0.26 N ATOM 1170 CA ASN B 27 -6.260 6.447 0.545 1.00 0.30 C ATOM 1171 C ASN B 27 -6.131 7.965 0.675 1.00 0.26 C ATOM 1172 O ASN B 27 -6.073 8.683 -0.305 1.00 0.25 O ATOM 1173 CB ASN B 27 -7.657 6.011 0.993 1.00 0.38 C ATOM 1174 CG ASN B 27 -8.707 6.690 0.112 1.00 0.48 C ATOM 1175 OD1 ASN B 27 -9.413 7.573 0.557 1.00 1.21 O ATOM 1176 ND2 ASN B 27 -8.842 6.309 -1.129 1.00 0.58 N ATOM 0 H ASN B 27 -5.609 5.170 2.127 1.00 0.26 H new ATOM 0 HA ASN B 27 -6.105 6.160 -0.495 1.00 0.30 H new ATOM 0 HB2 ASN B 27 -7.752 4.927 0.922 1.00 0.38 H new ATOM 0 HB3 ASN B 27 -7.816 6.277 2.038 1.00 0.38 H new ATOM 0 HD21 ASN B 27 -9.540 6.753 -1.726 1.00 0.58 H new ATOM 0 HD22 ASN B 27 -8.249 5.568 -1.502 1.00 0.58 H new ATOM 1183 N GLU B 28 -6.089 8.456 1.883 1.00 0.28 N ATOM 1184 CA GLU B 28 -5.970 9.925 2.096 1.00 0.29 C ATOM 1185 C GLU B 28 -4.658 10.432 1.497 1.00 0.25 C ATOM 1186 O GLU B 28 -4.601 11.497 0.914 1.00 0.26 O ATOM 1187 CB GLU B 28 -5.986 10.224 3.596 1.00 0.37 C ATOM 1188 CG GLU B 28 -7.384 9.956 4.154 1.00 0.43 C ATOM 1189 CD GLU B 28 -7.397 10.256 5.654 1.00 0.95 C ATOM 1190 OE1 GLU B 28 -6.331 10.497 6.198 1.00 1.63 O ATOM 1191 OE2 GLU B 28 -8.470 10.246 6.231 1.00 1.69 O ATOM 0 H GLU B 28 -6.132 7.899 2.736 1.00 0.28 H new ATOM 0 HA GLU B 28 -6.807 10.426 1.610 1.00 0.29 H new ATOM 0 HB2 GLU B 28 -5.252 9.602 4.109 1.00 0.37 H new ATOM 0 HB3 GLU B 28 -5.705 11.262 3.774 1.00 0.37 H new ATOM 0 HG2 GLU B 28 -8.118 10.578 3.641 1.00 0.43 H new ATOM 0 HG3 GLU B 28 -7.666 8.918 3.977 1.00 0.43 H new ATOM 1198 N ALA B 29 -3.600 9.687 1.647 1.00 0.23 N ATOM 1199 CA ALA B 29 -2.293 10.140 1.097 1.00 0.24 C ATOM 1200 C ALA B 29 -2.408 10.321 -0.418 1.00 0.23 C ATOM 1201 O ALA B 29 -2.037 11.345 -0.959 1.00 0.25 O ATOM 1202 CB ALA B 29 -1.219 9.096 1.417 1.00 0.27 C ATOM 0 H ALA B 29 -3.583 8.786 2.125 1.00 0.23 H new ATOM 0 HA ALA B 29 -2.016 11.093 1.549 1.00 0.24 H new ATOM 0 HB1 ALA B 29 -0.261 9.425 1.015 1.00 0.27 H new ATOM 0 HB2 ALA B 29 -1.138 8.977 2.497 1.00 0.27 H new ATOM 0 HB3 ALA B 29 -1.493 8.142 0.966 1.00 0.27 H new ATOM 1208 N LEU B 30 -2.922 9.341 -1.107 1.00 0.22 N ATOM 1209 CA LEU B 30 -3.061 9.470 -2.583 1.00 0.24 C ATOM 1210 C LEU B 30 -3.990 10.642 -2.900 1.00 0.28 C ATOM 1211 O LEU B 30 -3.709 11.456 -3.756 1.00 0.30 O ATOM 1212 CB LEU B 30 -3.656 8.180 -3.156 1.00 0.25 C ATOM 1213 CG LEU B 30 -2.646 7.029 -3.032 1.00 0.25 C ATOM 1214 CD1 LEU B 30 -3.329 5.718 -3.437 1.00 0.30 C ATOM 1215 CD2 LEU B 30 -1.423 7.284 -3.943 1.00 0.26 C ATOM 0 H LEU B 30 -3.251 8.459 -0.713 1.00 0.22 H new ATOM 0 HA LEU B 30 -2.082 9.646 -3.028 1.00 0.24 H new ATOM 0 HB2 LEU B 30 -4.574 7.927 -2.625 1.00 0.25 H new ATOM 0 HB3 LEU B 30 -3.923 8.328 -4.202 1.00 0.25 H new ATOM 0 HG LEU B 30 -2.301 6.964 -2.000 1.00 0.25 H new ATOM 0 HD11 LEU B 30 -2.618 4.896 -3.352 1.00 0.30 H new ATOM 0 HD12 LEU B 30 -4.179 5.533 -2.780 1.00 0.30 H new ATOM 0 HD13 LEU B 30 -3.676 5.792 -4.468 1.00 0.30 H new ATOM 0 HD21 LEU B 30 -0.717 6.460 -3.843 1.00 0.26 H new ATOM 0 HD22 LEU B 30 -1.751 7.358 -4.980 1.00 0.26 H new ATOM 0 HD23 LEU B 30 -0.938 8.215 -3.649 1.00 0.26 H new ATOM 1227 N GLU B 31 -5.096 10.740 -2.211 1.00 0.31 N ATOM 1228 CA GLU B 31 -6.035 11.865 -2.475 1.00 0.36 C ATOM 1229 C GLU B 31 -5.324 13.195 -2.223 1.00 0.33 C ATOM 1230 O GLU B 31 -5.469 14.139 -2.972 1.00 0.35 O ATOM 1231 CB GLU B 31 -7.250 11.750 -1.551 1.00 0.41 C ATOM 1232 CG GLU B 31 -8.100 10.552 -1.978 1.00 0.49 C ATOM 1233 CD GLU B 31 -9.316 10.431 -1.056 1.00 1.14 C ATOM 1234 OE1 GLU B 31 -9.348 11.125 -0.054 1.00 1.68 O ATOM 1235 OE2 GLU B 31 -10.193 9.643 -1.370 1.00 1.93 O ATOM 0 H GLU B 31 -5.388 10.091 -1.480 1.00 0.31 H new ATOM 0 HA GLU B 31 -6.366 11.822 -3.513 1.00 0.36 H new ATOM 0 HB2 GLU B 31 -6.925 11.630 -0.518 1.00 0.41 H new ATOM 0 HB3 GLU B 31 -7.842 12.664 -1.595 1.00 0.41 H new ATOM 0 HG2 GLU B 31 -8.425 10.674 -3.011 1.00 0.49 H new ATOM 0 HG3 GLU B 31 -7.507 9.639 -1.936 1.00 0.49 H new ATOM 1242 N LEU B 32 -4.549 13.273 -1.176 1.00 0.30 N ATOM 1243 CA LEU B 32 -3.825 14.539 -0.883 1.00 0.29 C ATOM 1244 C LEU B 32 -2.905 14.872 -2.057 1.00 0.28 C ATOM 1245 O LEU B 32 -2.902 15.977 -2.564 1.00 0.32 O ATOM 1246 CB LEU B 32 -2.994 14.359 0.393 1.00 0.28 C ATOM 1247 CG LEU B 32 -2.232 15.651 0.726 1.00 0.32 C ATOM 1248 CD1 LEU B 32 -3.218 16.807 0.962 1.00 0.40 C ATOM 1249 CD2 LEU B 32 -1.393 15.420 1.988 1.00 0.35 C ATOM 0 H LEU B 32 -4.387 12.515 -0.513 1.00 0.30 H new ATOM 0 HA LEU B 32 -4.537 15.352 -0.739 1.00 0.29 H new ATOM 0 HB2 LEU B 32 -3.646 14.090 1.224 1.00 0.28 H new ATOM 0 HB3 LEU B 32 -2.289 13.538 0.262 1.00 0.28 H new ATOM 0 HG LEU B 32 -1.584 15.915 -0.110 1.00 0.32 H new ATOM 0 HD11 LEU B 32 -2.664 17.716 1.197 1.00 0.40 H new ATOM 0 HD12 LEU B 32 -3.813 16.967 0.063 1.00 0.40 H new ATOM 0 HD13 LEU B 32 -3.877 16.559 1.794 1.00 0.40 H new ATOM 0 HD21 LEU B 32 -0.847 16.331 2.234 1.00 0.35 H new ATOM 0 HD22 LEU B 32 -2.049 15.155 2.817 1.00 0.35 H new ATOM 0 HD23 LEU B 32 -0.685 14.610 1.811 1.00 0.35 H new ATOM 1261 N LYS B 33 -2.123 13.924 -2.490 1.00 0.27 N ATOM 1262 CA LYS B 33 -1.200 14.179 -3.630 1.00 0.31 C ATOM 1263 C LYS B 33 -2.012 14.575 -4.864 1.00 0.37 C ATOM 1264 O LYS B 33 -1.648 15.470 -5.601 1.00 0.42 O ATOM 1265 CB LYS B 33 -0.395 12.911 -3.925 1.00 0.34 C ATOM 1266 CG LYS B 33 0.638 13.201 -5.022 1.00 0.44 C ATOM 1267 CD LYS B 33 1.458 11.938 -5.333 1.00 0.50 C ATOM 1268 CE LYS B 33 2.573 11.750 -4.295 1.00 0.81 C ATOM 1269 NZ LYS B 33 3.425 12.971 -4.246 1.00 1.59 N ATOM 0 H LYS B 33 -2.083 12.981 -2.103 1.00 0.27 H new ATOM 0 HA LYS B 33 -0.517 14.989 -3.374 1.00 0.31 H new ATOM 0 HB2 LYS B 33 0.107 12.568 -3.020 1.00 0.34 H new ATOM 0 HB3 LYS B 33 -1.062 12.110 -4.242 1.00 0.34 H new ATOM 0 HG2 LYS B 33 0.133 13.546 -5.924 1.00 0.44 H new ATOM 0 HG3 LYS B 33 1.302 14.004 -4.702 1.00 0.44 H new ATOM 0 HD2 LYS B 33 0.805 11.065 -5.336 1.00 0.50 H new ATOM 0 HD3 LYS B 33 1.891 12.015 -6.330 1.00 0.50 H new ATOM 0 HE2 LYS B 33 2.140 11.557 -3.313 1.00 0.81 H new ATOM 0 HE3 LYS B 33 3.180 10.882 -4.552 1.00 0.81 H new ATOM 0 HZ1 LYS B 33 4.428 12.696 -4.269 1.00 1.59 H new ATOM 0 HZ2 LYS B 33 3.213 13.575 -5.065 1.00 1.59 H new ATOM 0 HZ3 LYS B 33 3.230 13.495 -3.369 1.00 1.59 H new ATOM 1283 N ASP B 34 -3.114 13.918 -5.095 1.00 0.42 N ATOM 1284 CA ASP B 34 -3.947 14.259 -6.279 1.00 0.50 C ATOM 1285 C ASP B 34 -4.400 15.714 -6.180 1.00 0.50 C ATOM 1286 O ASP B 34 -4.435 16.431 -7.161 1.00 0.58 O ATOM 1287 CB ASP B 34 -5.175 13.347 -6.333 1.00 0.59 C ATOM 1288 CG ASP B 34 -4.743 11.929 -6.705 1.00 0.68 C ATOM 1289 OD1 ASP B 34 -3.616 11.768 -7.141 1.00 1.43 O ATOM 1290 OD2 ASP B 34 -5.553 11.031 -6.556 1.00 1.15 O ATOM 0 H ASP B 34 -3.473 13.160 -4.515 1.00 0.42 H new ATOM 0 HA ASP B 34 -3.356 14.119 -7.184 1.00 0.50 H new ATOM 0 HB2 ASP B 34 -5.680 13.343 -5.367 1.00 0.59 H new ATOM 0 HB3 ASP B 34 -5.889 13.724 -7.065 1.00 0.59 H new ATOM 1295 N ALA B 35 -4.754 16.158 -5.005 1.00 0.49 N ATOM 1296 CA ALA B 35 -5.213 17.565 -4.852 1.00 0.56 C ATOM 1297 C ALA B 35 -4.091 18.519 -5.263 1.00 0.54 C ATOM 1298 O ALA B 35 -4.313 19.479 -5.975 1.00 0.65 O ATOM 1299 CB ALA B 35 -5.592 17.823 -3.393 1.00 0.64 C ATOM 0 H ALA B 35 -4.745 15.607 -4.146 1.00 0.49 H new ATOM 0 HA ALA B 35 -6.082 17.732 -5.489 1.00 0.56 H new ATOM 0 HB1 ALA B 35 -5.928 18.854 -3.281 1.00 0.64 H new ATOM 0 HB2 ALA B 35 -6.394 17.146 -3.100 1.00 0.64 H new ATOM 0 HB3 ALA B 35 -4.724 17.653 -2.756 1.00 0.64 H new ATOM 1305 N GLN B 36 -2.885 18.266 -4.831 1.00 0.51 N ATOM 1306 CA GLN B 36 -1.758 19.168 -5.213 1.00 0.59 C ATOM 1307 C GLN B 36 -1.241 18.784 -6.600 1.00 0.66 C ATOM 1308 O GLN B 36 -0.453 19.490 -7.196 1.00 0.86 O ATOM 1309 CB GLN B 36 -0.624 19.039 -4.195 1.00 0.61 C ATOM 1310 CG GLN B 36 -1.053 19.661 -2.864 1.00 0.94 C ATOM 1311 CD GLN B 36 0.085 19.528 -1.850 1.00 0.83 C ATOM 1312 OE1 GLN B 36 0.036 20.109 -0.784 1.00 1.19 O ATOM 1313 NE2 GLN B 36 1.123 18.794 -2.145 1.00 0.67 N ATOM 0 H GLN B 36 -2.631 17.479 -4.234 1.00 0.51 H new ATOM 0 HA GLN B 36 -2.114 20.198 -5.229 1.00 0.59 H new ATOM 0 HB2 GLN B 36 -0.369 17.989 -4.051 1.00 0.61 H new ATOM 0 HB3 GLN B 36 0.271 19.536 -4.568 1.00 0.61 H new ATOM 0 HG2 GLN B 36 -1.307 20.711 -3.006 1.00 0.94 H new ATOM 0 HG3 GLN B 36 -1.948 19.164 -2.490 1.00 0.94 H new ATOM 0 HE21 GLN B 36 1.165 18.306 -3.040 1.00 0.67 H new ATOM 0 HE22 GLN B 36 1.892 18.708 -1.481 1.00 0.67 H new ATOM 1519 N GLU C 8 12.768 -6.934 -13.426 1.00 0.70 N ATOM 1520 CA GLU C 8 13.907 -6.152 -12.871 1.00 0.60 C ATOM 1521 C GLU C 8 13.601 -5.748 -11.426 1.00 0.51 C ATOM 1522 O GLU C 8 12.490 -5.385 -11.094 1.00 0.50 O ATOM 1523 CB GLU C 8 14.113 -4.899 -13.722 1.00 0.71 C ATOM 1524 CG GLU C 8 14.631 -5.304 -15.105 1.00 0.88 C ATOM 1525 CD GLU C 8 14.837 -4.055 -15.962 1.00 1.40 C ATOM 1526 OE1 GLU C 8 14.436 -2.988 -15.527 1.00 2.03 O ATOM 1527 OE2 GLU C 8 15.386 -4.187 -17.043 1.00 2.11 O ATOM 0 HA GLU C 8 14.811 -6.760 -12.886 1.00 0.60 H new ATOM 0 HB2 GLU C 8 13.175 -4.353 -13.818 1.00 0.71 H new ATOM 0 HB3 GLU C 8 14.823 -4.229 -13.237 1.00 0.71 H new ATOM 0 HG2 GLU C 8 15.570 -5.849 -15.007 1.00 0.88 H new ATOM 0 HG3 GLU C 8 13.921 -5.976 -15.588 1.00 0.88 H new ATOM 1534 N TYR C 9 14.582 -5.809 -10.561 1.00 0.47 N ATOM 1535 CA TYR C 9 14.361 -5.429 -9.131 1.00 0.41 C ATOM 1536 C TYR C 9 14.803 -3.980 -8.911 1.00 0.38 C ATOM 1537 O TYR C 9 15.728 -3.505 -9.540 1.00 0.43 O ATOM 1538 CB TYR C 9 15.186 -6.351 -8.233 1.00 0.43 C ATOM 1539 CG TYR C 9 14.756 -7.782 -8.448 1.00 0.47 C ATOM 1540 CD1 TYR C 9 13.716 -8.329 -7.672 1.00 0.47 C ATOM 1541 CD2 TYR C 9 15.395 -8.569 -9.426 1.00 0.53 C ATOM 1542 CE1 TYR C 9 13.315 -9.664 -7.873 1.00 0.52 C ATOM 1543 CE2 TYR C 9 14.995 -9.903 -9.626 1.00 0.58 C ATOM 1544 CZ TYR C 9 13.955 -10.451 -8.851 1.00 0.57 C ATOM 1545 OH TYR C 9 13.563 -11.759 -9.048 1.00 0.64 O ATOM 0 H TYR C 9 15.531 -6.107 -10.785 1.00 0.47 H new ATOM 0 HA TYR C 9 13.303 -5.526 -8.887 1.00 0.41 H new ATOM 0 HB2 TYR C 9 16.247 -6.241 -8.458 1.00 0.43 H new ATOM 0 HB3 TYR C 9 15.052 -6.073 -7.188 1.00 0.43 H new ATOM 0 HD1 TYR C 9 13.226 -7.725 -6.923 1.00 0.47 H new ATOM 0 HD2 TYR C 9 16.192 -8.149 -10.022 1.00 0.53 H new ATOM 0 HE1 TYR C 9 12.518 -10.084 -7.278 1.00 0.52 H new ATOM 0 HE2 TYR C 9 15.486 -10.507 -10.375 1.00 0.58 H new ATOM 0 HH TYR C 9 14.105 -12.159 -9.760 1.00 0.64 H new ATOM 1555 N PHE C 10 14.148 -3.273 -8.021 1.00 0.35 N ATOM 1556 CA PHE C 10 14.528 -1.848 -7.750 1.00 0.34 C ATOM 1557 C PHE C 10 14.534 -1.600 -6.239 1.00 0.31 C ATOM 1558 O PHE C 10 13.669 -2.061 -5.521 1.00 0.32 O ATOM 1559 CB PHE C 10 13.505 -0.917 -8.403 1.00 0.36 C ATOM 1560 CG PHE C 10 13.479 -1.155 -9.893 1.00 0.37 C ATOM 1561 CD1 PHE C 10 14.348 -0.438 -10.737 1.00 0.43 C ATOM 1562 CD2 PHE C 10 12.582 -2.093 -10.439 1.00 0.43 C ATOM 1563 CE1 PHE C 10 14.322 -0.659 -12.127 1.00 0.49 C ATOM 1564 CE2 PHE C 10 12.556 -2.316 -11.828 1.00 0.48 C ATOM 1565 CZ PHE C 10 13.425 -1.598 -12.673 1.00 0.48 C ATOM 0 H PHE C 10 13.364 -3.622 -7.469 1.00 0.35 H new ATOM 0 HA PHE C 10 15.519 -1.654 -8.159 1.00 0.34 H new ATOM 0 HB2 PHE C 10 12.516 -1.093 -7.980 1.00 0.36 H new ATOM 0 HB3 PHE C 10 13.760 0.122 -8.195 1.00 0.36 H new ATOM 0 HD1 PHE C 10 15.035 0.282 -10.318 1.00 0.43 H new ATOM 0 HD2 PHE C 10 11.914 -2.641 -9.792 1.00 0.43 H new ATOM 0 HE1 PHE C 10 14.989 -0.109 -12.774 1.00 0.49 H new ATOM 0 HE2 PHE C 10 11.870 -3.038 -12.246 1.00 0.48 H new ATOM 0 HZ PHE C 10 13.403 -1.767 -13.739 1.00 0.48 H new ATOM 1575 N THR C 11 15.500 -0.863 -5.750 1.00 0.31 N ATOM 1576 CA THR C 11 15.560 -0.570 -4.286 1.00 0.32 C ATOM 1577 C THR C 11 14.776 0.711 -4.003 1.00 0.32 C ATOM 1578 O THR C 11 14.639 1.559 -4.860 1.00 0.38 O ATOM 1579 CB THR C 11 17.017 -0.378 -3.861 1.00 0.35 C ATOM 1580 OG1 THR C 11 17.561 0.747 -4.535 1.00 0.47 O ATOM 1581 CG2 THR C 11 17.821 -1.629 -4.217 1.00 0.38 C ATOM 0 H THR C 11 16.251 -0.451 -6.303 1.00 0.31 H new ATOM 0 HA THR C 11 15.128 -1.400 -3.727 1.00 0.32 H new ATOM 0 HB THR C 11 17.064 -0.213 -2.785 1.00 0.35 H new ATOM 0 HG1 THR C 11 18.494 0.872 -4.262 1.00 0.47 H new ATOM 0 HG21 THR C 11 18.859 -1.493 -3.914 1.00 0.38 H new ATOM 0 HG22 THR C 11 17.402 -2.491 -3.698 1.00 0.38 H new ATOM 0 HG23 THR C 11 17.776 -1.797 -5.293 1.00 0.38 H new ATOM 1589 N LEU C 12 14.267 0.868 -2.809 1.00 0.29 N ATOM 1590 CA LEU C 12 13.491 2.103 -2.479 1.00 0.29 C ATOM 1591 C LEU C 12 13.736 2.478 -1.016 1.00 0.28 C ATOM 1592 O LEU C 12 13.682 1.647 -0.133 1.00 0.27 O ATOM 1593 CB LEU C 12 11.997 1.831 -2.698 1.00 0.30 C ATOM 1594 CG LEU C 12 11.164 3.078 -2.359 1.00 0.33 C ATOM 1595 CD1 LEU C 12 11.561 4.251 -3.271 1.00 0.42 C ATOM 1596 CD2 LEU C 12 9.681 2.747 -2.555 1.00 0.37 C ATOM 0 H LEU C 12 14.354 0.195 -2.047 1.00 0.29 H new ATOM 0 HA LEU C 12 13.810 2.924 -3.121 1.00 0.29 H new ATOM 0 HB2 LEU C 12 11.823 1.541 -3.734 1.00 0.30 H new ATOM 0 HB3 LEU C 12 11.679 0.995 -2.076 1.00 0.30 H new ATOM 0 HG LEU C 12 11.349 3.368 -1.325 1.00 0.33 H new ATOM 0 HD11 LEU C 12 10.963 5.127 -3.019 1.00 0.42 H new ATOM 0 HD12 LEU C 12 12.617 4.480 -3.130 1.00 0.42 H new ATOM 0 HD13 LEU C 12 11.385 3.979 -4.312 1.00 0.42 H new ATOM 0 HD21 LEU C 12 9.078 3.624 -2.318 1.00 0.37 H new ATOM 0 HD22 LEU C 12 9.507 2.456 -3.591 1.00 0.37 H new ATOM 0 HD23 LEU C 12 9.401 1.925 -1.896 1.00 0.37 H new ATOM 1608 N GLN C 13 13.998 3.731 -0.756 1.00 0.32 N ATOM 1609 CA GLN C 13 14.238 4.170 0.648 1.00 0.33 C ATOM 1610 C GLN C 13 12.889 4.455 1.313 1.00 0.31 C ATOM 1611 O GLN C 13 12.075 5.186 0.784 1.00 0.33 O ATOM 1612 CB GLN C 13 15.085 5.443 0.634 1.00 0.42 C ATOM 1613 CG GLN C 13 15.339 5.904 2.069 1.00 0.50 C ATOM 1614 CD GLN C 13 16.339 7.060 2.062 1.00 0.86 C ATOM 1615 OE1 GLN C 13 16.937 7.356 1.046 1.00 1.81 O ATOM 1616 NE2 GLN C 13 16.553 7.725 3.162 1.00 0.86 N ATOM 0 H GLN C 13 14.056 4.470 -1.457 1.00 0.32 H new ATOM 0 HA GLN C 13 14.763 3.392 1.203 1.00 0.33 H new ATOM 0 HB2 GLN C 13 16.032 5.256 0.128 1.00 0.42 H new ATOM 0 HB3 GLN C 13 14.574 6.226 0.075 1.00 0.42 H new ATOM 0 HG2 GLN C 13 14.404 6.220 2.532 1.00 0.50 H new ATOM 0 HG3 GLN C 13 15.726 5.078 2.665 1.00 0.50 H new ATOM 0 HE21 GLN C 13 16.051 7.476 4.014 1.00 0.86 H new ATOM 0 HE22 GLN C 13 17.223 8.494 3.171 1.00 0.86 H new ATOM 1625 N ILE C 14 12.641 3.873 2.464 1.00 0.29 N ATOM 1626 CA ILE C 14 11.336 4.092 3.169 1.00 0.29 C ATOM 1627 C ILE C 14 11.599 4.713 4.546 1.00 0.30 C ATOM 1628 O ILE C 14 12.275 4.139 5.379 1.00 0.31 O ATOM 1629 CB ILE C 14 10.642 2.738 3.340 1.00 0.32 C ATOM 1630 CG1 ILE C 14 10.402 2.133 1.950 1.00 0.33 C ATOM 1631 CG2 ILE C 14 9.294 2.927 4.047 1.00 0.42 C ATOM 1632 CD1 ILE C 14 9.937 0.676 2.072 1.00 0.29 C ATOM 0 H ILE C 14 13.290 3.252 2.948 1.00 0.29 H new ATOM 0 HA ILE C 14 10.703 4.764 2.589 1.00 0.29 H new ATOM 0 HB ILE C 14 11.269 2.077 3.939 1.00 0.32 H new ATOM 0 HG12 ILE C 14 9.652 2.717 1.417 1.00 0.33 H new ATOM 0 HG13 ILE C 14 11.319 2.180 1.363 1.00 0.33 H new ATOM 0 HG21 ILE C 14 8.806 1.959 4.165 1.00 0.42 H new ATOM 0 HG22 ILE C 14 9.457 3.373 5.028 1.00 0.42 H new ATOM 0 HG23 ILE C 14 8.659 3.583 3.451 1.00 0.42 H new ATOM 0 HD11 ILE C 14 9.771 0.262 1.077 1.00 0.29 H new ATOM 0 HD12 ILE C 14 10.701 0.092 2.585 1.00 0.29 H new ATOM 0 HD13 ILE C 14 9.008 0.637 2.640 1.00 0.29 H new ATOM 1644 N ARG C 15 11.067 5.879 4.789 1.00 0.33 N ATOM 1645 CA ARG C 15 11.275 6.542 6.109 1.00 0.37 C ATOM 1646 C ARG C 15 10.388 5.884 7.169 1.00 0.37 C ATOM 1647 O ARG C 15 9.310 5.404 6.881 1.00 0.40 O ATOM 1648 CB ARG C 15 10.919 8.034 5.994 1.00 0.43 C ATOM 1649 CG ARG C 15 11.176 8.766 7.339 1.00 0.46 C ATOM 1650 CD ARG C 15 9.866 8.930 8.127 1.00 0.91 C ATOM 1651 NE ARG C 15 10.138 9.682 9.385 1.00 1.25 N ATOM 1652 CZ ARG C 15 9.150 10.178 10.077 1.00 1.59 C ATOM 1653 NH1 ARG C 15 7.920 10.009 9.673 1.00 2.00 N ATOM 1654 NH2 ARG C 15 9.392 10.841 11.173 1.00 2.35 N ATOM 0 H ARG C 15 10.495 6.404 4.128 1.00 0.33 H new ATOM 0 HA ARG C 15 12.319 6.437 6.403 1.00 0.37 H new ATOM 0 HB2 ARG C 15 11.513 8.495 5.205 1.00 0.43 H new ATOM 0 HB3 ARG C 15 9.872 8.142 5.710 1.00 0.43 H new ATOM 0 HG2 ARG C 15 11.896 8.203 7.933 1.00 0.46 H new ATOM 0 HG3 ARG C 15 11.616 9.745 7.148 1.00 0.46 H new ATOM 0 HD2 ARG C 15 9.130 9.462 7.524 1.00 0.91 H new ATOM 0 HD3 ARG C 15 9.443 7.953 8.358 1.00 0.91 H new ATOM 0 HE ARG C 15 11.098 9.809 9.705 1.00 1.25 H new ATOM 0 HH11 ARG C 15 7.732 9.489 8.816 1.00 2.00 H new ATOM 0 HH12 ARG C 15 7.148 10.397 10.214 1.00 2.00 H new ATOM 0 HH21 ARG C 15 10.353 10.971 11.488 1.00 2.35 H new ATOM 0 HH22 ARG C 15 8.620 11.229 11.715 1.00 2.35 H new ATOM 1668 N GLY C 16 10.823 5.881 8.400 1.00 0.40 N ATOM 1669 CA GLY C 16 9.998 5.281 9.489 1.00 0.41 C ATOM 1670 C GLY C 16 10.157 3.760 9.508 1.00 0.37 C ATOM 1671 O GLY C 16 9.903 3.085 8.529 1.00 0.35 O ATOM 0 H GLY C 16 11.717 6.269 8.700 1.00 0.40 H new ATOM 0 HA2 GLY C 16 10.299 5.696 10.451 1.00 0.41 H new ATOM 0 HA3 GLY C 16 8.949 5.541 9.344 1.00 0.41 H new ATOM 1675 N ARG C 17 10.566 3.215 10.623 1.00 0.41 N ATOM 1676 CA ARG C 17 10.732 1.737 10.716 1.00 0.42 C ATOM 1677 C ARG C 17 9.364 1.063 10.585 1.00 0.40 C ATOM 1678 O ARG C 17 9.217 0.057 9.921 1.00 0.39 O ATOM 1679 CB ARG C 17 11.339 1.376 12.074 1.00 0.50 C ATOM 1680 CG ARG C 17 11.652 -0.122 12.108 1.00 0.62 C ATOM 1681 CD ARG C 17 12.228 -0.497 13.473 1.00 1.14 C ATOM 1682 NE ARG C 17 13.586 0.096 13.624 1.00 1.44 N ATOM 1683 CZ ARG C 17 14.143 0.149 14.802 1.00 1.88 C ATOM 1684 NH1 ARG C 17 13.521 -0.347 15.839 1.00 2.34 N ATOM 1685 NH2 ARG C 17 15.322 0.689 14.945 1.00 2.59 N ATOM 0 H ARG C 17 10.792 3.731 11.473 1.00 0.41 H new ATOM 0 HA ARG C 17 11.390 1.396 9.917 1.00 0.42 H new ATOM 0 HB2 ARG C 17 12.248 1.953 12.243 1.00 0.50 H new ATOM 0 HB3 ARG C 17 10.645 1.632 12.875 1.00 0.50 H new ATOM 0 HG2 ARG C 17 10.747 -0.697 11.914 1.00 0.62 H new ATOM 0 HG3 ARG C 17 12.363 -0.373 11.321 1.00 0.62 H new ATOM 0 HD2 ARG C 17 11.573 -0.137 14.266 1.00 1.14 H new ATOM 0 HD3 ARG C 17 12.281 -1.581 13.571 1.00 1.14 H new ATOM 0 HE ARG C 17 14.079 0.460 12.808 1.00 1.44 H new ATOM 0 HH11 ARG C 17 12.602 -0.774 15.726 1.00 2.34 H new ATOM 0 HH12 ARG C 17 13.955 -0.307 16.761 1.00 2.34 H new ATOM 0 HH21 ARG C 17 15.810 1.071 14.135 1.00 2.59 H new ATOM 0 HH22 ARG C 17 15.756 0.730 15.867 1.00 2.59 H new ATOM 1699 N GLU C 18 8.360 1.611 11.217 1.00 0.44 N ATOM 1700 CA GLU C 18 7.003 1.001 11.130 1.00 0.46 C ATOM 1701 C GLU C 18 6.559 0.975 9.669 1.00 0.40 C ATOM 1702 O GLU C 18 6.014 -0.001 9.193 1.00 0.38 O ATOM 1703 CB GLU C 18 6.020 1.837 11.951 1.00 0.53 C ATOM 1704 CG GLU C 18 6.328 1.667 13.439 1.00 1.19 C ATOM 1705 CD GLU C 18 5.346 2.501 14.264 1.00 1.86 C ATOM 1706 OE1 GLU C 18 4.600 3.262 13.669 1.00 2.54 O ATOM 1707 OE2 GLU C 18 5.356 2.364 15.477 1.00 2.39 O ATOM 0 H GLU C 18 8.422 2.453 11.789 1.00 0.44 H new ATOM 0 HA GLU C 18 7.028 -0.016 11.522 1.00 0.46 H new ATOM 0 HB2 GLU C 18 6.096 2.887 11.670 1.00 0.53 H new ATOM 0 HB3 GLU C 18 4.997 1.525 11.742 1.00 0.53 H new ATOM 0 HG2 GLU C 18 6.253 0.616 13.719 1.00 1.19 H new ATOM 0 HG3 GLU C 18 7.351 1.980 13.647 1.00 1.19 H new ATOM 1714 N ARG C 19 6.797 2.036 8.948 1.00 0.41 N ATOM 1715 CA ARG C 19 6.397 2.060 7.517 1.00 0.39 C ATOM 1716 C ARG C 19 7.140 0.945 6.781 1.00 0.33 C ATOM 1717 O ARG C 19 6.585 0.259 5.946 1.00 0.30 O ATOM 1718 CB ARG C 19 6.762 3.410 6.902 1.00 0.47 C ATOM 1719 CG ARG C 19 6.241 3.474 5.468 1.00 0.67 C ATOM 1720 CD ARG C 19 6.607 4.826 4.857 1.00 1.24 C ATOM 1721 NE ARG C 19 5.827 5.900 5.528 1.00 1.75 N ATOM 1722 CZ ARG C 19 6.193 7.145 5.402 1.00 2.56 C ATOM 1723 NH1 ARG C 19 7.229 7.450 4.669 1.00 2.94 N ATOM 1724 NH2 ARG C 19 5.522 8.084 6.005 1.00 3.39 N ATOM 0 H ARG C 19 7.250 2.884 9.289 1.00 0.41 H new ATOM 0 HA ARG C 19 5.321 1.910 7.432 1.00 0.39 H new ATOM 0 HB2 ARG C 19 6.332 4.219 7.493 1.00 0.47 H new ATOM 0 HB3 ARG C 19 7.843 3.547 6.914 1.00 0.47 H new ATOM 0 HG2 ARG C 19 6.671 2.666 4.876 1.00 0.67 H new ATOM 0 HG3 ARG C 19 5.160 3.337 5.455 1.00 0.67 H new ATOM 0 HD2 ARG C 19 7.675 5.012 4.971 1.00 1.24 H new ATOM 0 HD3 ARG C 19 6.397 4.823 3.787 1.00 1.24 H new ATOM 0 HE ARG C 19 5.007 5.663 6.086 1.00 1.75 H new ATOM 0 HH11 ARG C 19 7.752 6.714 4.195 1.00 2.94 H new ATOM 0 HH12 ARG C 19 7.515 8.424 4.571 1.00 2.94 H new ATOM 0 HH21 ARG C 19 4.711 7.845 6.575 1.00 3.39 H new ATOM 0 HH22 ARG C 19 5.808 9.058 5.907 1.00 3.39 H new ATOM 1738 N PHE C 20 8.390 0.750 7.098 1.00 0.33 N ATOM 1739 CA PHE C 20 9.165 -0.327 6.426 1.00 0.31 C ATOM 1740 C PHE C 20 8.489 -1.669 6.705 1.00 0.29 C ATOM 1741 O PHE C 20 8.260 -2.455 5.808 1.00 0.28 O ATOM 1742 CB PHE C 20 10.598 -0.345 6.965 1.00 0.36 C ATOM 1743 CG PHE C 20 11.325 -1.550 6.418 1.00 0.35 C ATOM 1744 CD1 PHE C 20 12.000 -1.467 5.186 1.00 0.36 C ATOM 1745 CD2 PHE C 20 11.325 -2.759 7.140 1.00 0.42 C ATOM 1746 CE1 PHE C 20 12.672 -2.593 4.675 1.00 0.41 C ATOM 1747 CE2 PHE C 20 11.999 -3.885 6.630 1.00 0.47 C ATOM 1748 CZ PHE C 20 12.673 -3.801 5.397 1.00 0.45 C ATOM 0 H PHE C 20 8.907 1.290 7.792 1.00 0.33 H new ATOM 0 HA PHE C 20 9.195 -0.146 5.351 1.00 0.31 H new ATOM 0 HB2 PHE C 20 11.118 0.569 6.677 1.00 0.36 H new ATOM 0 HB3 PHE C 20 10.588 -0.376 8.055 1.00 0.36 H new ATOM 0 HD1 PHE C 20 12.002 -0.539 4.633 1.00 0.36 H new ATOM 0 HD2 PHE C 20 10.808 -2.823 8.086 1.00 0.42 H new ATOM 0 HE1 PHE C 20 13.187 -2.530 3.728 1.00 0.41 H new ATOM 0 HE2 PHE C 20 11.999 -4.812 7.184 1.00 0.47 H new ATOM 0 HZ PHE C 20 13.191 -4.664 5.005 1.00 0.45 H new ATOM 1758 N GLU C 21 8.158 -1.938 7.936 1.00 0.32 N ATOM 1759 CA GLU C 21 7.491 -3.231 8.247 1.00 0.34 C ATOM 1760 C GLU C 21 6.184 -3.296 7.460 1.00 0.31 C ATOM 1761 O GLU C 21 5.824 -4.319 6.912 1.00 0.32 O ATOM 1762 CB GLU C 21 7.185 -3.291 9.746 1.00 0.40 C ATOM 1763 CG GLU C 21 8.492 -3.428 10.530 1.00 0.53 C ATOM 1764 CD GLU C 21 8.187 -3.485 12.027 1.00 0.96 C ATOM 1765 OE1 GLU C 21 7.030 -3.328 12.381 1.00 1.65 O ATOM 1766 OE2 GLU C 21 9.116 -3.677 12.794 1.00 1.66 O ATOM 0 H GLU C 21 8.319 -1.324 8.734 1.00 0.32 H new ATOM 0 HA GLU C 21 8.136 -4.067 7.977 1.00 0.34 H new ATOM 0 HB2 GLU C 21 6.656 -2.390 10.056 1.00 0.40 H new ATOM 0 HB3 GLU C 21 6.530 -4.135 9.961 1.00 0.40 H new ATOM 0 HG2 GLU C 21 9.020 -4.330 10.221 1.00 0.53 H new ATOM 0 HG3 GLU C 21 9.148 -2.585 10.314 1.00 0.53 H new ATOM 1773 N MET C 22 5.479 -2.200 7.387 1.00 0.29 N ATOM 1774 CA MET C 22 4.204 -2.184 6.620 1.00 0.28 C ATOM 1775 C MET C 22 4.504 -2.461 5.145 1.00 0.26 C ATOM 1776 O MET C 22 3.898 -3.311 4.524 1.00 0.27 O ATOM 1777 CB MET C 22 3.547 -0.812 6.756 1.00 0.29 C ATOM 1778 CG MET C 22 2.139 -0.871 6.172 1.00 0.34 C ATOM 1779 SD MET C 22 1.376 0.769 6.265 1.00 0.47 S ATOM 1780 CE MET C 22 1.835 1.329 4.606 1.00 0.61 C ATOM 0 H MET C 22 5.732 -1.315 7.826 1.00 0.29 H new ATOM 0 HA MET C 22 3.531 -2.948 7.008 1.00 0.28 H new ATOM 0 HB2 MET C 22 3.507 -0.517 7.805 1.00 0.29 H new ATOM 0 HB3 MET C 22 4.138 -0.059 6.235 1.00 0.29 H new ATOM 0 HG2 MET C 22 2.178 -1.207 5.136 1.00 0.34 H new ATOM 0 HG3 MET C 22 1.537 -1.595 6.720 1.00 0.34 H new ATOM 0 HE1 MET C 22 2.097 2.387 4.638 1.00 0.61 H new ATOM 0 HE2 MET C 22 2.691 0.754 4.252 1.00 0.61 H new ATOM 0 HE3 MET C 22 0.994 1.184 3.927 1.00 0.61 H new ATOM 1790 N PHE C 23 5.447 -1.748 4.585 1.00 0.23 N ATOM 1791 CA PHE C 23 5.803 -1.969 3.156 1.00 0.23 C ATOM 1792 C PHE C 23 6.302 -3.402 2.986 1.00 0.23 C ATOM 1793 O PHE C 23 5.989 -4.068 2.018 1.00 0.25 O ATOM 1794 CB PHE C 23 6.895 -0.970 2.736 1.00 0.22 C ATOM 1795 CG PHE C 23 6.264 0.345 2.314 1.00 0.23 C ATOM 1796 CD1 PHE C 23 5.368 1.012 3.173 1.00 0.22 C ATOM 1797 CD2 PHE C 23 6.571 0.900 1.055 1.00 0.30 C ATOM 1798 CE1 PHE C 23 4.780 2.228 2.774 1.00 0.26 C ATOM 1799 CE2 PHE C 23 5.983 2.115 0.656 1.00 0.33 C ATOM 1800 CZ PHE C 23 5.088 2.779 1.514 1.00 0.30 C ATOM 0 H PHE C 23 5.985 -1.022 5.058 1.00 0.23 H new ATOM 0 HA PHE C 23 4.928 -1.815 2.525 1.00 0.23 H new ATOM 0 HB2 PHE C 23 7.584 -0.803 3.564 1.00 0.22 H new ATOM 0 HB3 PHE C 23 7.479 -1.382 1.914 1.00 0.22 H new ATOM 0 HD1 PHE C 23 5.132 0.590 4.139 1.00 0.22 H new ATOM 0 HD2 PHE C 23 7.259 0.392 0.395 1.00 0.30 H new ATOM 0 HE1 PHE C 23 4.093 2.738 3.433 1.00 0.26 H new ATOM 0 HE2 PHE C 23 6.219 2.538 -0.309 1.00 0.33 H new ATOM 0 HZ PHE C 23 4.637 3.711 1.207 1.00 0.30 H new ATOM 1810 N ARG C 24 7.068 -3.887 3.923 1.00 0.27 N ATOM 1811 CA ARG C 24 7.573 -5.282 3.814 1.00 0.30 C ATOM 1812 C ARG C 24 6.376 -6.219 3.676 1.00 0.28 C ATOM 1813 O ARG C 24 6.338 -7.078 2.817 1.00 0.28 O ATOM 1814 CB ARG C 24 8.351 -5.644 5.083 1.00 0.36 C ATOM 1815 CG ARG C 24 9.073 -6.982 4.885 1.00 0.42 C ATOM 1816 CD ARG C 24 9.487 -7.550 6.245 1.00 1.13 C ATOM 1817 NE ARG C 24 10.082 -6.472 7.085 1.00 1.77 N ATOM 1818 CZ ARG C 24 10.209 -6.650 8.372 1.00 2.41 C ATOM 1819 NH1 ARG C 24 9.811 -7.768 8.917 1.00 2.75 N ATOM 1820 NH2 ARG C 24 10.727 -5.713 9.117 1.00 3.28 N ATOM 0 H ARG C 24 7.365 -3.379 4.756 1.00 0.27 H new ATOM 0 HA ARG C 24 8.230 -5.375 2.949 1.00 0.30 H new ATOM 0 HB2 ARG C 24 9.073 -4.861 5.314 1.00 0.36 H new ATOM 0 HB3 ARG C 24 7.670 -5.710 5.932 1.00 0.36 H new ATOM 0 HG2 ARG C 24 8.420 -7.686 4.369 1.00 0.42 H new ATOM 0 HG3 ARG C 24 9.952 -6.843 4.255 1.00 0.42 H new ATOM 0 HD2 ARG C 24 8.621 -7.979 6.749 1.00 1.13 H new ATOM 0 HD3 ARG C 24 10.208 -8.356 6.108 1.00 1.13 H new ATOM 0 HE ARG C 24 10.389 -5.599 6.656 1.00 1.77 H new ATOM 0 HH11 ARG C 24 9.402 -8.501 8.337 1.00 2.75 H new ATOM 0 HH12 ARG C 24 9.910 -7.909 9.922 1.00 2.75 H new ATOM 0 HH21 ARG C 24 11.035 -4.837 8.694 1.00 3.28 H new ATOM 0 HH22 ARG C 24 10.824 -5.856 10.122 1.00 3.28 H new ATOM 1834 N GLU C 25 5.389 -6.051 4.513 1.00 0.28 N ATOM 1835 CA GLU C 25 4.186 -6.921 4.430 1.00 0.30 C ATOM 1836 C GLU C 25 3.546 -6.747 3.051 1.00 0.25 C ATOM 1837 O GLU C 25 3.212 -7.707 2.386 1.00 0.26 O ATOM 1838 CB GLU C 25 3.195 -6.516 5.524 1.00 0.34 C ATOM 1839 CG GLU C 25 1.958 -7.416 5.468 1.00 0.38 C ATOM 1840 CD GLU C 25 0.993 -7.024 6.588 1.00 1.05 C ATOM 1841 OE1 GLU C 25 1.375 -6.213 7.415 1.00 1.78 O ATOM 1842 OE2 GLU C 25 -0.110 -7.548 6.603 1.00 1.70 O ATOM 0 H GLU C 25 5.365 -5.347 5.251 1.00 0.28 H new ATOM 0 HA GLU C 25 4.464 -7.965 4.572 1.00 0.30 H new ATOM 0 HB2 GLU C 25 3.668 -6.595 6.503 1.00 0.34 H new ATOM 0 HB3 GLU C 25 2.903 -5.474 5.394 1.00 0.34 H new ATOM 0 HG2 GLU C 25 1.467 -7.318 4.500 1.00 0.38 H new ATOM 0 HG3 GLU C 25 2.250 -8.461 5.574 1.00 0.38 H new ATOM 1849 N LEU C 26 3.380 -5.528 2.613 1.00 0.23 N ATOM 1850 CA LEU C 26 2.769 -5.297 1.274 1.00 0.24 C ATOM 1851 C LEU C 26 3.656 -5.929 0.202 1.00 0.23 C ATOM 1852 O LEU C 26 3.184 -6.601 -0.693 1.00 0.25 O ATOM 1853 CB LEU C 26 2.665 -3.790 1.012 1.00 0.26 C ATOM 1854 CG LEU C 26 1.701 -3.141 2.014 1.00 0.30 C ATOM 1855 CD1 LEU C 26 1.733 -1.621 1.825 1.00 0.36 C ATOM 1856 CD2 LEU C 26 0.267 -3.657 1.789 1.00 0.38 C ATOM 0 H LEU C 26 3.641 -4.684 3.124 1.00 0.23 H new ATOM 0 HA LEU C 26 1.775 -5.743 1.246 1.00 0.24 H new ATOM 0 HB2 LEU C 26 3.650 -3.331 1.095 1.00 0.26 H new ATOM 0 HB3 LEU C 26 2.316 -3.614 -0.005 1.00 0.26 H new ATOM 0 HG LEU C 26 2.010 -3.398 3.027 1.00 0.30 H new ATOM 0 HD11 LEU C 26 1.050 -1.152 2.534 1.00 0.36 H new ATOM 0 HD12 LEU C 26 2.745 -1.254 1.998 1.00 0.36 H new ATOM 0 HD13 LEU C 26 1.427 -1.374 0.808 1.00 0.36 H new ATOM 0 HD21 LEU C 26 -0.405 -3.188 2.507 1.00 0.38 H new ATOM 0 HD22 LEU C 26 -0.054 -3.411 0.777 1.00 0.38 H new ATOM 0 HD23 LEU C 26 0.244 -4.738 1.924 1.00 0.38 H new ATOM 1868 N ASN C 27 4.941 -5.716 0.287 1.00 0.28 N ATOM 1869 CA ASN C 27 5.863 -6.301 -0.726 1.00 0.31 C ATOM 1870 C ASN C 27 5.742 -7.826 -0.708 1.00 0.26 C ATOM 1871 O ASN C 27 5.575 -8.462 -1.729 1.00 0.25 O ATOM 1872 CB ASN C 27 7.303 -5.898 -0.398 1.00 0.41 C ATOM 1873 CG ASN C 27 8.249 -6.498 -1.439 1.00 0.50 C ATOM 1874 OD1 ASN C 27 8.989 -7.416 -1.149 1.00 1.20 O ATOM 1875 ND2 ASN C 27 8.254 -6.012 -2.650 1.00 0.55 N ATOM 0 H ASN C 27 5.392 -5.162 1.015 1.00 0.28 H new ATOM 0 HA ASN C 27 5.598 -5.929 -1.716 1.00 0.31 H new ATOM 0 HB2 ASN C 27 7.395 -4.812 -0.390 1.00 0.41 H new ATOM 0 HB3 ASN C 27 7.572 -6.248 0.599 1.00 0.41 H new ATOM 0 HD21 ASN C 27 8.880 -6.403 -3.354 1.00 0.55 H new ATOM 0 HD22 ASN C 27 7.632 -5.241 -2.893 1.00 0.55 H new ATOM 1882 N GLU C 28 5.828 -8.415 0.454 1.00 0.27 N ATOM 1883 CA GLU C 28 5.724 -9.896 0.554 1.00 0.28 C ATOM 1884 C GLU C 28 4.355 -10.358 0.056 1.00 0.24 C ATOM 1885 O GLU C 28 4.234 -11.370 -0.605 1.00 0.26 O ATOM 1886 CB GLU C 28 5.900 -10.322 2.012 1.00 0.35 C ATOM 1887 CG GLU C 28 7.351 -10.098 2.434 1.00 0.45 C ATOM 1888 CD GLU C 28 7.528 -10.523 3.892 1.00 1.36 C ATOM 1889 OE1 GLU C 28 6.528 -10.808 4.531 1.00 2.10 O ATOM 1890 OE2 GLU C 28 8.660 -10.565 4.344 1.00 2.12 O ATOM 0 H GLU C 28 5.966 -7.931 1.341 1.00 0.27 H new ATOM 0 HA GLU C 28 6.502 -10.350 -0.060 1.00 0.28 H new ATOM 0 HB2 GLU C 28 5.230 -9.749 2.653 1.00 0.35 H new ATOM 0 HB3 GLU C 28 5.633 -11.372 2.130 1.00 0.35 H new ATOM 0 HG2 GLU C 28 8.020 -10.672 1.793 1.00 0.45 H new ATOM 0 HG3 GLU C 28 7.618 -9.048 2.315 1.00 0.45 H new ATOM 1897 N ALA C 29 3.322 -9.632 0.381 1.00 0.22 N ATOM 1898 CA ALA C 29 1.959 -10.038 -0.062 1.00 0.23 C ATOM 1899 C ALA C 29 1.909 -10.086 -1.590 1.00 0.24 C ATOM 1900 O ALA C 29 1.474 -11.059 -2.174 1.00 0.26 O ATOM 1901 CB ALA C 29 0.936 -9.024 0.466 1.00 0.26 C ATOM 0 H ALA C 29 3.362 -8.776 0.934 1.00 0.22 H new ATOM 0 HA ALA C 29 1.723 -11.027 0.330 1.00 0.23 H new ATOM 0 HB1 ALA C 29 -0.064 -9.315 0.145 1.00 0.26 H new ATOM 0 HB2 ALA C 29 0.975 -9.001 1.555 1.00 0.26 H new ATOM 0 HB3 ALA C 29 1.169 -8.034 0.073 1.00 0.26 H new ATOM 1907 N LEU C 30 2.354 -9.051 -2.247 1.00 0.24 N ATOM 1908 CA LEU C 30 2.331 -9.057 -3.735 1.00 0.26 C ATOM 1909 C LEU C 30 3.216 -10.195 -4.248 1.00 0.29 C ATOM 1910 O LEU C 30 2.841 -10.931 -5.139 1.00 0.31 O ATOM 1911 CB LEU C 30 2.863 -7.722 -4.263 1.00 0.29 C ATOM 1912 CG LEU C 30 1.879 -6.596 -3.916 1.00 0.30 C ATOM 1913 CD1 LEU C 30 2.511 -5.250 -4.283 1.00 0.40 C ATOM 1914 CD2 LEU C 30 0.554 -6.778 -4.688 1.00 0.32 C ATOM 0 H LEU C 30 2.731 -8.205 -1.819 1.00 0.24 H new ATOM 0 HA LEU C 30 1.308 -9.201 -4.083 1.00 0.26 H new ATOM 0 HB2 LEU C 30 3.839 -7.511 -3.827 1.00 0.29 H new ATOM 0 HB3 LEU C 30 3.001 -7.777 -5.343 1.00 0.29 H new ATOM 0 HG LEU C 30 1.663 -6.626 -2.848 1.00 0.30 H new ATOM 0 HD11 LEU C 30 1.818 -4.444 -4.040 1.00 0.40 H new ATOM 0 HD12 LEU C 30 3.435 -5.116 -3.720 1.00 0.40 H new ATOM 0 HD13 LEU C 30 2.730 -5.230 -5.351 1.00 0.40 H new ATOM 0 HD21 LEU C 30 -0.131 -5.971 -4.430 1.00 0.32 H new ATOM 0 HD22 LEU C 30 0.752 -6.757 -5.760 1.00 0.32 H new ATOM 0 HD23 LEU C 30 0.105 -7.735 -4.420 1.00 0.32 H new ATOM 1926 N GLU C 31 4.387 -10.349 -3.690 1.00 0.34 N ATOM 1927 CA GLU C 31 5.288 -11.443 -4.146 1.00 0.39 C ATOM 1928 C GLU C 31 4.600 -12.791 -3.934 1.00 0.34 C ATOM 1929 O GLU C 31 4.666 -13.672 -4.769 1.00 0.35 O ATOM 1930 CB GLU C 31 6.595 -11.400 -3.349 1.00 0.47 C ATOM 1931 CG GLU C 31 7.401 -10.165 -3.762 1.00 0.59 C ATOM 1932 CD GLU C 31 8.708 -10.117 -2.968 1.00 1.29 C ATOM 1933 OE1 GLU C 31 8.844 -10.897 -2.039 1.00 2.09 O ATOM 1934 OE2 GLU C 31 9.551 -9.303 -3.304 1.00 1.91 O ATOM 0 H GLU C 31 4.757 -9.765 -2.940 1.00 0.34 H new ATOM 0 HA GLU C 31 5.510 -11.312 -5.205 1.00 0.39 H new ATOM 0 HB2 GLU C 31 6.382 -11.368 -2.281 1.00 0.47 H new ATOM 0 HB3 GLU C 31 7.175 -12.305 -3.531 1.00 0.47 H new ATOM 0 HG2 GLU C 31 7.614 -10.198 -4.831 1.00 0.59 H new ATOM 0 HG3 GLU C 31 6.820 -9.261 -3.580 1.00 0.59 H new ATOM 1941 N LEU C 32 3.933 -12.956 -2.825 1.00 0.32 N ATOM 1942 CA LEU C 32 3.231 -14.242 -2.560 1.00 0.32 C ATOM 1943 C LEU C 32 2.190 -14.481 -3.655 1.00 0.30 C ATOM 1944 O LEU C 32 2.123 -15.543 -4.244 1.00 0.33 O ATOM 1945 CB LEU C 32 2.546 -14.174 -1.189 1.00 0.35 C ATOM 1946 CG LEU C 32 1.811 -15.488 -0.887 1.00 0.44 C ATOM 1947 CD1 LEU C 32 2.805 -16.661 -0.859 1.00 0.75 C ATOM 1948 CD2 LEU C 32 1.122 -15.365 0.476 1.00 0.72 C ATOM 0 H LEU C 32 3.844 -12.254 -2.090 1.00 0.32 H new ATOM 0 HA LEU C 32 3.947 -15.064 -2.560 1.00 0.32 H new ATOM 0 HB2 LEU C 32 3.288 -13.980 -0.415 1.00 0.35 H new ATOM 0 HB3 LEU C 32 1.840 -13.343 -1.170 1.00 0.35 H new ATOM 0 HG LEU C 32 1.072 -15.678 -1.665 1.00 0.44 H new ATOM 0 HD11 LEU C 32 2.270 -17.586 -0.644 1.00 0.75 H new ATOM 0 HD12 LEU C 32 3.298 -16.744 -1.828 1.00 0.75 H new ATOM 0 HD13 LEU C 32 3.553 -16.486 -0.085 1.00 0.75 H new ATOM 0 HD21 LEU C 32 0.596 -16.292 0.703 1.00 0.72 H new ATOM 0 HD22 LEU C 32 1.870 -15.175 1.246 1.00 0.72 H new ATOM 0 HD23 LEU C 32 0.409 -14.541 0.450 1.00 0.72 H new ATOM 1960 N LYS C 33 1.374 -13.500 -3.925 1.00 0.31 N ATOM 1961 CA LYS C 33 0.331 -13.661 -4.976 1.00 0.35 C ATOM 1962 C LYS C 33 1.001 -13.948 -6.320 1.00 0.39 C ATOM 1963 O LYS C 33 0.550 -14.776 -7.086 1.00 0.44 O ATOM 1964 CB LYS C 33 -0.497 -12.376 -5.068 1.00 0.40 C ATOM 1965 CG LYS C 33 -1.641 -12.573 -6.072 1.00 0.51 C ATOM 1966 CD LYS C 33 -2.488 -11.295 -6.173 1.00 0.82 C ATOM 1967 CE LYS C 33 -3.484 -11.216 -5.007 1.00 1.34 C ATOM 1968 NZ LYS C 33 -4.331 -12.443 -4.988 1.00 2.19 N ATOM 0 H LYS C 33 1.385 -12.591 -3.462 1.00 0.31 H new ATOM 0 HA LYS C 33 -0.324 -14.494 -4.720 1.00 0.35 H new ATOM 0 HB2 LYS C 33 -0.900 -12.120 -4.088 1.00 0.40 H new ATOM 0 HB3 LYS C 33 0.136 -11.545 -5.380 1.00 0.40 H new ATOM 0 HG2 LYS C 33 -1.235 -12.827 -7.051 1.00 0.51 H new ATOM 0 HG3 LYS C 33 -2.267 -13.409 -5.761 1.00 0.51 H new ATOM 0 HD2 LYS C 33 -1.839 -10.420 -6.164 1.00 0.82 H new ATOM 0 HD3 LYS C 33 -3.027 -11.283 -7.121 1.00 0.82 H new ATOM 0 HE2 LYS C 33 -2.947 -11.118 -4.063 1.00 1.34 H new ATOM 0 HE3 LYS C 33 -4.111 -10.331 -5.111 1.00 1.34 H new ATOM 0 HZ1 LYS C 33 -5.333 -12.172 -4.927 1.00 2.19 H new ATOM 0 HZ2 LYS C 33 -4.172 -12.988 -5.859 1.00 2.19 H new ATOM 0 HZ3 LYS C 33 -4.080 -13.026 -4.164 1.00 2.19 H new ATOM 1982 N ASP C 34 2.078 -13.270 -6.609 1.00 0.42 N ATOM 1983 CA ASP C 34 2.784 -13.505 -7.899 1.00 0.49 C ATOM 1984 C ASP C 34 3.237 -14.962 -7.975 1.00 0.50 C ATOM 1985 O ASP C 34 3.166 -15.591 -9.011 1.00 0.57 O ATOM 1986 CB ASP C 34 4.006 -12.587 -7.995 1.00 0.58 C ATOM 1987 CG ASP C 34 3.547 -11.144 -8.202 1.00 0.69 C ATOM 1988 OD1 ASP C 34 2.382 -10.951 -8.506 1.00 1.27 O ATOM 1989 OD2 ASP C 34 4.372 -10.258 -8.062 1.00 1.34 O ATOM 0 H ASP C 34 2.499 -12.563 -6.007 1.00 0.42 H new ATOM 0 HA ASP C 34 2.105 -13.290 -8.724 1.00 0.49 H new ATOM 0 HB2 ASP C 34 4.603 -12.663 -7.086 1.00 0.58 H new ATOM 0 HB3 ASP C 34 4.644 -12.899 -8.822 1.00 0.58 H new ATOM 1994 N ALA C 35 3.706 -15.503 -6.886 1.00 0.52 N ATOM 1995 CA ALA C 35 4.168 -16.917 -6.903 1.00 0.60 C ATOM 1996 C ALA C 35 2.999 -17.836 -7.265 1.00 0.60 C ATOM 1997 O ALA C 35 3.133 -18.732 -8.073 1.00 0.72 O ATOM 1998 CB ALA C 35 4.709 -17.294 -5.522 1.00 0.71 C ATOM 0 H ALA C 35 3.789 -15.028 -5.987 1.00 0.52 H new ATOM 0 HA ALA C 35 4.958 -17.031 -7.645 1.00 0.60 H new ATOM 0 HB1 ALA C 35 5.048 -18.330 -5.534 1.00 0.71 H new ATOM 0 HB2 ALA C 35 5.545 -16.642 -5.268 1.00 0.71 H new ATOM 0 HB3 ALA C 35 3.920 -17.179 -4.778 1.00 0.71 H new ATOM 2218 N GLU D 8 -13.535 -7.644 12.218 1.00 0.64 N ATOM 2219 CA GLU D 8 -14.647 -6.789 11.716 1.00 0.57 C ATOM 2220 C GLU D 8 -14.308 -6.276 10.316 1.00 0.51 C ATOM 2221 O GLU D 8 -13.183 -5.917 10.029 1.00 0.51 O ATOM 2222 CB GLU D 8 -14.836 -5.604 12.666 1.00 0.65 C ATOM 2223 CG GLU D 8 -15.396 -6.108 13.997 1.00 0.76 C ATOM 2224 CD GLU D 8 -15.550 -4.932 14.964 1.00 1.06 C ATOM 2225 OE1 GLU D 8 -15.121 -3.845 14.615 1.00 1.66 O ATOM 2226 OE2 GLU D 8 -16.092 -5.141 16.038 1.00 1.67 O ATOM 0 HA GLU D 8 -15.567 -7.372 11.670 1.00 0.57 H new ATOM 0 HB2 GLU D 8 -13.885 -5.097 12.827 1.00 0.65 H new ATOM 0 HB3 GLU D 8 -15.515 -4.874 12.225 1.00 0.65 H new ATOM 0 HG2 GLU D 8 -16.360 -6.591 13.838 1.00 0.76 H new ATOM 0 HG3 GLU D 8 -14.730 -6.858 14.423 1.00 0.76 H new ATOM 2233 N TYR D 9 -15.276 -6.238 9.438 1.00 0.49 N ATOM 2234 CA TYR D 9 -15.024 -5.749 8.048 1.00 0.45 C ATOM 2235 C TYR D 9 -15.427 -4.275 7.944 1.00 0.43 C ATOM 2236 O TYR D 9 -16.349 -3.831 8.599 1.00 0.48 O ATOM 2237 CB TYR D 9 -15.862 -6.572 7.071 1.00 0.48 C ATOM 2238 CG TYR D 9 -15.471 -8.027 7.171 1.00 0.50 C ATOM 2239 CD1 TYR D 9 -14.435 -8.535 6.363 1.00 0.49 C ATOM 2240 CD2 TYR D 9 -16.144 -8.876 8.070 1.00 0.55 C ATOM 2241 CE1 TYR D 9 -14.072 -9.891 6.455 1.00 0.52 C ATOM 2242 CE2 TYR D 9 -15.782 -10.234 8.161 1.00 0.58 C ATOM 2243 CZ TYR D 9 -14.746 -10.741 7.353 1.00 0.56 C ATOM 2244 OH TYR D 9 -14.392 -12.073 7.440 1.00 0.61 O ATOM 0 H TYR D 9 -16.236 -6.526 9.624 1.00 0.49 H new ATOM 0 HA TYR D 9 -13.966 -5.853 7.808 1.00 0.45 H new ATOM 0 HB2 TYR D 9 -16.922 -6.453 7.296 1.00 0.48 H new ATOM 0 HB3 TYR D 9 -15.710 -6.213 6.053 1.00 0.48 H new ATOM 0 HD1 TYR D 9 -13.919 -7.884 5.673 1.00 0.49 H new ATOM 0 HD2 TYR D 9 -16.938 -8.486 8.690 1.00 0.55 H new ATOM 0 HE1 TYR D 9 -13.276 -10.280 5.837 1.00 0.52 H new ATOM 0 HE2 TYR D 9 -16.298 -10.886 8.850 1.00 0.58 H new ATOM 0 HH TYR D 9 -14.954 -12.518 8.108 1.00 0.61 H new ATOM 2254 N PHE D 10 -14.744 -3.511 7.123 1.00 0.39 N ATOM 2255 CA PHE D 10 -15.088 -2.059 6.971 1.00 0.39 C ATOM 2256 C PHE D 10 -15.071 -1.683 5.487 1.00 0.36 C ATOM 2257 O PHE D 10 -14.210 -2.103 4.740 1.00 0.37 O ATOM 2258 CB PHE D 10 -14.052 -1.210 7.710 1.00 0.39 C ATOM 2259 CG PHE D 10 -14.051 -1.574 9.175 1.00 0.43 C ATOM 2260 CD1 PHE D 10 -14.908 -0.907 10.071 1.00 0.49 C ATOM 2261 CD2 PHE D 10 -13.189 -2.585 9.644 1.00 0.46 C ATOM 2262 CE1 PHE D 10 -14.904 -1.252 11.437 1.00 0.56 C ATOM 2263 CE2 PHE D 10 -13.186 -2.930 11.009 1.00 0.53 C ATOM 2264 CZ PHE D 10 -14.043 -2.264 11.905 1.00 0.56 C ATOM 0 H PHE D 10 -13.962 -3.830 6.551 1.00 0.39 H new ATOM 0 HA PHE D 10 -16.079 -1.878 7.387 1.00 0.39 H new ATOM 0 HB2 PHE D 10 -13.062 -1.373 7.284 1.00 0.39 H new ATOM 0 HB3 PHE D 10 -14.281 -0.151 7.588 1.00 0.39 H new ATOM 0 HD1 PHE D 10 -15.568 -0.131 9.711 1.00 0.49 H new ATOM 0 HD2 PHE D 10 -12.531 -3.095 8.957 1.00 0.46 H new ATOM 0 HE1 PHE D 10 -15.561 -0.741 12.125 1.00 0.56 H new ATOM 0 HE2 PHE D 10 -12.526 -3.706 11.369 1.00 0.53 H new ATOM 0 HZ PHE D 10 -14.041 -2.529 12.952 1.00 0.56 H new ATOM 2274 N THR D 11 -16.011 -0.882 5.055 1.00 0.34 N ATOM 2275 CA THR D 11 -16.045 -0.465 3.621 1.00 0.34 C ATOM 2276 C THR D 11 -15.218 0.811 3.456 1.00 0.33 C ATOM 2277 O THR D 11 -15.045 1.570 4.388 1.00 0.37 O ATOM 2278 CB THR D 11 -17.494 -0.197 3.203 1.00 0.37 C ATOM 2279 OG1 THR D 11 -18.015 0.883 3.966 1.00 0.41 O ATOM 2280 CG2 THR D 11 -18.338 -1.450 3.445 1.00 0.43 C ATOM 0 H THR D 11 -16.758 -0.498 5.634 1.00 0.34 H new ATOM 0 HA THR D 11 -15.631 -1.255 2.994 1.00 0.34 H new ATOM 0 HB THR D 11 -17.524 0.059 2.144 1.00 0.37 H new ATOM 0 HG1 THR D 11 -18.942 1.056 3.698 1.00 0.41 H new ATOM 0 HG21 THR D 11 -19.369 -1.258 3.147 1.00 0.43 H new ATOM 0 HG22 THR D 11 -17.939 -2.277 2.857 1.00 0.43 H new ATOM 0 HG23 THR D 11 -18.309 -1.710 4.503 1.00 0.43 H new ATOM 2288 N LEU D 12 -14.705 1.060 2.278 1.00 0.29 N ATOM 2289 CA LEU D 12 -13.887 2.294 2.061 1.00 0.29 C ATOM 2290 C LEU D 12 -14.101 2.805 0.634 1.00 0.27 C ATOM 2291 O LEU D 12 -14.047 2.054 -0.319 1.00 0.26 O ATOM 2292 CB LEU D 12 -12.402 1.961 2.270 1.00 0.29 C ATOM 2293 CG LEU D 12 -11.531 3.208 2.045 1.00 0.29 C ATOM 2294 CD1 LEU D 12 -11.913 4.313 3.044 1.00 0.35 C ATOM 2295 CD2 LEU D 12 -10.060 2.824 2.242 1.00 0.31 C ATOM 0 H LEU D 12 -14.816 0.464 1.458 1.00 0.29 H new ATOM 0 HA LEU D 12 -14.192 3.064 2.770 1.00 0.29 H new ATOM 0 HB2 LEU D 12 -12.248 1.580 3.280 1.00 0.29 H new ATOM 0 HB3 LEU D 12 -12.100 1.171 1.582 1.00 0.29 H new ATOM 0 HG LEU D 12 -11.689 3.583 1.034 1.00 0.29 H new ATOM 0 HD11 LEU D 12 -11.288 5.190 2.873 1.00 0.35 H new ATOM 0 HD12 LEU D 12 -12.960 4.581 2.907 1.00 0.35 H new ATOM 0 HD13 LEU D 12 -11.761 3.952 4.061 1.00 0.35 H new ATOM 0 HD21 LEU D 12 -9.431 3.700 2.085 1.00 0.31 H new ATOM 0 HD22 LEU D 12 -9.914 2.449 3.255 1.00 0.31 H new ATOM 0 HD23 LEU D 12 -9.787 2.049 1.526 1.00 0.31 H new ATOM 2307 N GLN D 13 -14.338 4.080 0.483 1.00 0.29 N ATOM 2308 CA GLN D 13 -14.551 4.646 -0.880 1.00 0.29 C ATOM 2309 C GLN D 13 -13.186 4.950 -1.505 1.00 0.29 C ATOM 2310 O GLN D 13 -12.360 5.613 -0.910 1.00 0.31 O ATOM 2311 CB GLN D 13 -15.367 5.935 -0.765 1.00 0.34 C ATOM 2312 CG GLN D 13 -15.598 6.514 -2.160 1.00 0.38 C ATOM 2313 CD GLN D 13 -16.571 7.691 -2.070 1.00 0.63 C ATOM 2314 OE1 GLN D 13 -17.171 7.919 -1.038 1.00 1.37 O ATOM 2315 NE2 GLN D 13 -16.757 8.453 -3.113 1.00 0.61 N ATOM 0 H GLN D 13 -14.393 4.755 1.246 1.00 0.29 H new ATOM 0 HA GLN D 13 -15.090 3.934 -1.505 1.00 0.29 H new ATOM 0 HB2 GLN D 13 -16.322 5.732 -0.280 1.00 0.34 H new ATOM 0 HB3 GLN D 13 -14.840 6.658 -0.142 1.00 0.34 H new ATOM 0 HG2 GLN D 13 -14.652 6.843 -2.590 1.00 0.38 H new ATOM 0 HG3 GLN D 13 -15.999 5.747 -2.822 1.00 0.38 H new ATOM 0 HE21 GLN D 13 -16.254 8.263 -3.980 1.00 0.61 H new ATOM 0 HE22 GLN D 13 -17.405 9.239 -3.061 1.00 0.61 H new ATOM 2324 N ILE D 14 -12.939 4.461 -2.699 1.00 0.29 N ATOM 2325 CA ILE D 14 -11.618 4.701 -3.372 1.00 0.32 C ATOM 2326 C ILE D 14 -11.845 5.440 -4.694 1.00 0.32 C ATOM 2327 O ILE D 14 -12.523 4.959 -5.580 1.00 0.33 O ATOM 2328 CB ILE D 14 -10.955 3.348 -3.647 1.00 0.35 C ATOM 2329 CG1 ILE D 14 -10.747 2.622 -2.312 1.00 0.34 C ATOM 2330 CG2 ILE D 14 -9.595 3.558 -4.326 1.00 0.48 C ATOM 2331 CD1 ILE D 14 -10.317 1.168 -2.552 1.00 0.40 C ATOM 0 H ILE D 14 -13.599 3.903 -3.240 1.00 0.29 H new ATOM 0 HA ILE D 14 -10.977 5.306 -2.731 1.00 0.32 H new ATOM 0 HB ILE D 14 -11.592 2.756 -4.304 1.00 0.35 H new ATOM 0 HG12 ILE D 14 -9.989 3.139 -1.724 1.00 0.34 H new ATOM 0 HG13 ILE D 14 -11.670 2.644 -1.732 1.00 0.34 H new ATOM 0 HG21 ILE D 14 -9.131 2.591 -4.518 1.00 0.48 H new ATOM 0 HG22 ILE D 14 -9.737 4.086 -5.269 1.00 0.48 H new ATOM 0 HG23 ILE D 14 -8.950 4.147 -3.674 1.00 0.48 H new ATOM 0 HD11 ILE D 14 -10.174 0.668 -1.594 1.00 0.40 H new ATOM 0 HD12 ILE D 14 -11.089 0.649 -3.120 1.00 0.40 H new ATOM 0 HD13 ILE D 14 -9.382 1.153 -3.112 1.00 0.40 H new ATOM 2343 N ARG D 15 -11.279 6.609 -4.830 1.00 0.33 N ATOM 2344 CA ARG D 15 -11.452 7.388 -6.090 1.00 0.36 C ATOM 2345 C ARG D 15 -10.568 6.803 -7.195 1.00 0.37 C ATOM 2346 O ARG D 15 -9.503 6.276 -6.943 1.00 0.40 O ATOM 2347 CB ARG D 15 -11.066 8.856 -5.841 1.00 0.39 C ATOM 2348 CG ARG D 15 -11.298 9.707 -7.118 1.00 0.41 C ATOM 2349 CD ARG D 15 -9.980 9.908 -7.882 1.00 0.89 C ATOM 2350 NE ARG D 15 -10.224 10.771 -9.071 1.00 1.04 N ATOM 2351 CZ ARG D 15 -9.218 11.297 -9.713 1.00 1.47 C ATOM 2352 NH1 ARG D 15 -7.999 11.066 -9.313 1.00 2.08 N ATOM 2353 NH2 ARG D 15 -9.432 12.050 -10.756 1.00 2.08 N ATOM 0 H ARG D 15 -10.702 7.060 -4.120 1.00 0.33 H new ATOM 0 HA ARG D 15 -12.494 7.333 -6.405 1.00 0.36 H new ATOM 0 HB2 ARG D 15 -11.656 9.258 -5.018 1.00 0.39 H new ATOM 0 HB3 ARG D 15 -10.019 8.917 -5.542 1.00 0.39 H new ATOM 0 HG2 ARG D 15 -12.026 9.214 -7.762 1.00 0.41 H new ATOM 0 HG3 ARG D 15 -11.717 10.675 -6.845 1.00 0.41 H new ATOM 0 HD2 ARG D 15 -9.236 10.368 -7.231 1.00 0.89 H new ATOM 0 HD3 ARG D 15 -9.578 8.944 -8.195 1.00 0.89 H new ATOM 0 HE ARG D 15 -11.178 10.951 -9.383 1.00 1.04 H new ATOM 0 HH11 ARG D 15 -7.833 10.474 -8.499 1.00 2.08 H new ATOM 0 HH12 ARG D 15 -7.211 11.477 -9.814 1.00 2.08 H new ATOM 0 HH21 ARG D 15 -10.386 12.228 -11.070 1.00 2.08 H new ATOM 0 HH22 ARG D 15 -8.645 12.461 -11.258 1.00 2.08 H new ATOM 2367 N GLY D 16 -10.995 6.913 -8.425 1.00 0.37 N ATOM 2368 CA GLY D 16 -10.175 6.387 -9.557 1.00 0.40 C ATOM 2369 C GLY D 16 -10.384 4.880 -9.708 1.00 0.38 C ATOM 2370 O GLY D 16 -10.175 4.117 -8.785 1.00 0.37 O ATOM 0 H GLY D 16 -11.878 7.345 -8.696 1.00 0.37 H new ATOM 0 HA2 GLY D 16 -10.451 6.894 -10.482 1.00 0.40 H new ATOM 0 HA3 GLY D 16 -9.120 6.599 -9.380 1.00 0.40 H new ATOM 2374 N ARG D 17 -10.784 4.442 -10.873 1.00 0.41 N ATOM 2375 CA ARG D 17 -10.992 2.982 -11.089 1.00 0.42 C ATOM 2376 C ARG D 17 -9.644 2.267 -11.008 1.00 0.42 C ATOM 2377 O ARG D 17 -9.530 1.198 -10.442 1.00 0.42 O ATOM 2378 CB ARG D 17 -11.597 2.749 -12.476 1.00 0.48 C ATOM 2379 CG ARG D 17 -11.934 1.265 -12.646 1.00 0.56 C ATOM 2380 CD ARG D 17 -12.501 1.024 -14.047 1.00 0.93 C ATOM 2381 NE ARG D 17 -13.841 1.668 -14.162 1.00 1.34 N ATOM 2382 CZ ARG D 17 -14.384 1.829 -15.338 1.00 1.80 C ATOM 2383 NH1 ARG D 17 -13.755 1.421 -16.407 1.00 2.16 N ATOM 2384 NH2 ARG D 17 -15.555 2.395 -15.446 1.00 2.64 N ATOM 0 H ARG D 17 -10.975 5.032 -11.683 1.00 0.41 H new ATOM 0 HA ARG D 17 -11.667 2.595 -10.326 1.00 0.42 H new ATOM 0 HB2 ARG D 17 -12.496 3.353 -12.598 1.00 0.48 H new ATOM 0 HB3 ARG D 17 -10.895 3.064 -13.248 1.00 0.48 H new ATOM 0 HG2 ARG D 17 -11.040 0.659 -12.495 1.00 0.56 H new ATOM 0 HG3 ARG D 17 -12.658 0.958 -11.892 1.00 0.56 H new ATOM 0 HD2 ARG D 17 -11.825 1.431 -14.799 1.00 0.93 H new ATOM 0 HD3 ARG D 17 -12.583 -0.046 -14.238 1.00 0.93 H new ATOM 0 HE ARG D 17 -14.332 1.982 -13.325 1.00 1.34 H new ATOM 0 HH11 ARG D 17 -12.841 0.977 -16.322 1.00 2.16 H new ATOM 0 HH12 ARG D 17 -14.178 1.546 -17.327 1.00 2.16 H new ATOM 0 HH21 ARG D 17 -16.047 2.712 -14.611 1.00 2.64 H new ATOM 0 HH22 ARG D 17 -15.978 2.520 -16.366 1.00 2.64 H new ATOM 2398 N GLU D 18 -8.621 2.849 -11.573 1.00 0.46 N ATOM 2399 CA GLU D 18 -7.282 2.199 -11.529 1.00 0.49 C ATOM 2400 C GLU D 18 -6.856 2.027 -10.071 1.00 0.44 C ATOM 2401 O GLU D 18 -6.343 0.998 -9.680 1.00 0.40 O ATOM 2402 CB GLU D 18 -6.265 3.071 -12.265 1.00 0.56 C ATOM 2403 CG GLU D 18 -6.560 3.038 -13.767 1.00 1.17 C ATOM 2404 CD GLU D 18 -5.546 3.912 -14.507 1.00 1.55 C ATOM 2405 OE1 GLU D 18 -4.803 4.615 -13.842 1.00 2.22 O ATOM 2406 OE2 GLU D 18 -5.529 3.862 -15.726 1.00 1.98 O ATOM 0 H GLU D 18 -8.655 3.744 -12.062 1.00 0.46 H new ATOM 0 HA GLU D 18 -7.331 1.223 -12.012 1.00 0.49 H new ATOM 0 HB2 GLU D 18 -6.313 4.096 -11.896 1.00 0.56 H new ATOM 0 HB3 GLU D 18 -5.254 2.711 -12.074 1.00 0.56 H new ATOM 0 HG2 GLU D 18 -6.510 2.013 -14.136 1.00 1.17 H new ATOM 0 HG3 GLU D 18 -7.572 3.396 -13.957 1.00 1.17 H new ATOM 2413 N ARG D 19 -7.072 3.028 -9.260 1.00 0.45 N ATOM 2414 CA ARG D 19 -6.687 2.916 -7.829 1.00 0.43 C ATOM 2415 C ARG D 19 -7.462 1.760 -7.197 1.00 0.37 C ATOM 2416 O ARG D 19 -6.933 0.994 -6.418 1.00 0.35 O ATOM 2417 CB ARG D 19 -7.032 4.216 -7.101 1.00 0.49 C ATOM 2418 CG ARG D 19 -6.516 4.147 -5.664 1.00 0.60 C ATOM 2419 CD ARG D 19 -6.862 5.448 -4.940 1.00 1.13 C ATOM 2420 NE ARG D 19 -6.047 6.557 -5.504 1.00 1.40 N ATOM 2421 CZ ARG D 19 -6.380 7.795 -5.268 1.00 2.12 C ATOM 2422 NH1 ARG D 19 -7.420 8.064 -4.526 1.00 2.70 N ATOM 2423 NH2 ARG D 19 -5.675 8.765 -5.775 1.00 2.74 N ATOM 0 H ARG D 19 -7.498 3.915 -9.529 1.00 0.45 H new ATOM 0 HA ARG D 19 -5.615 2.733 -7.750 1.00 0.43 H new ATOM 0 HB2 ARG D 19 -6.585 5.065 -7.619 1.00 0.49 H new ATOM 0 HB3 ARG D 19 -8.111 4.372 -7.104 1.00 0.49 H new ATOM 0 HG2 ARG D 19 -6.963 3.299 -5.145 1.00 0.60 H new ATOM 0 HG3 ARG D 19 -5.437 3.991 -5.660 1.00 0.60 H new ATOM 0 HD2 ARG D 19 -7.924 5.668 -5.052 1.00 1.13 H new ATOM 0 HD3 ARG D 19 -6.668 5.346 -3.872 1.00 1.13 H new ATOM 0 HE ARG D 19 -5.228 6.349 -6.075 1.00 1.40 H new ATOM 0 HH11 ARG D 19 -7.974 7.305 -4.130 1.00 2.70 H new ATOM 0 HH12 ARG D 19 -7.679 9.033 -4.343 1.00 2.70 H new ATOM 0 HH21 ARG D 19 -4.863 8.556 -6.356 1.00 2.74 H new ATOM 0 HH22 ARG D 19 -5.934 9.734 -5.591 1.00 2.74 H new ATOM 2437 N PHE D 20 -8.714 1.622 -7.542 1.00 0.37 N ATOM 2438 CA PHE D 20 -9.521 0.512 -6.973 1.00 0.35 C ATOM 2439 C PHE D 20 -8.877 -0.817 -7.355 1.00 0.33 C ATOM 2440 O PHE D 20 -8.681 -1.684 -6.525 1.00 0.29 O ATOM 2441 CB PHE D 20 -10.948 0.578 -7.526 1.00 0.38 C ATOM 2442 CG PHE D 20 -11.711 -0.649 -7.089 1.00 0.36 C ATOM 2443 CD1 PHE D 20 -12.402 -0.650 -5.864 1.00 0.37 C ATOM 2444 CD2 PHE D 20 -11.725 -1.796 -7.908 1.00 0.41 C ATOM 2445 CE1 PHE D 20 -13.109 -1.797 -5.458 1.00 0.39 C ATOM 2446 CE2 PHE D 20 -12.434 -2.942 -7.500 1.00 0.43 C ATOM 2447 CZ PHE D 20 -13.124 -2.943 -6.275 1.00 0.40 C ATOM 0 H PHE D 20 -9.210 2.231 -8.193 1.00 0.37 H new ATOM 0 HA PHE D 20 -9.558 0.600 -5.887 1.00 0.35 H new ATOM 0 HB2 PHE D 20 -11.448 1.478 -7.167 1.00 0.38 H new ATOM 0 HB3 PHE D 20 -10.926 0.638 -8.614 1.00 0.38 H new ATOM 0 HD1 PHE D 20 -12.390 0.228 -5.236 1.00 0.37 H new ATOM 0 HD2 PHE D 20 -11.192 -1.796 -8.848 1.00 0.41 H new ATOM 0 HE1 PHE D 20 -13.641 -1.798 -4.518 1.00 0.39 H new ATOM 0 HE2 PHE D 20 -12.448 -3.820 -8.128 1.00 0.43 H new ATOM 0 HZ PHE D 20 -13.666 -3.823 -5.961 1.00 0.40 H new ATOM 2457 N GLU D 21 -8.537 -0.987 -8.601 1.00 0.37 N ATOM 2458 CA GLU D 21 -7.899 -2.263 -9.017 1.00 0.37 C ATOM 2459 C GLU D 21 -6.606 -2.429 -8.226 1.00 0.32 C ATOM 2460 O GLU D 21 -6.276 -3.504 -7.768 1.00 0.30 O ATOM 2461 CB GLU D 21 -7.576 -2.209 -10.512 1.00 0.44 C ATOM 2462 CG GLU D 21 -8.874 -2.252 -11.321 1.00 0.58 C ATOM 2463 CD GLU D 21 -8.546 -2.163 -12.812 1.00 0.97 C ATOM 2464 OE1 GLU D 21 -7.375 -2.044 -13.135 1.00 1.50 O ATOM 2465 OE2 GLU D 21 -9.470 -2.211 -13.606 1.00 1.69 O ATOM 0 H GLU D 21 -8.673 -0.302 -9.344 1.00 0.37 H new ATOM 0 HA GLU D 21 -8.571 -3.100 -8.827 1.00 0.37 H new ATOM 0 HB2 GLU D 21 -7.023 -1.298 -10.742 1.00 0.44 H new ATOM 0 HB3 GLU D 21 -6.937 -3.048 -10.787 1.00 0.44 H new ATOM 0 HG2 GLU D 21 -9.416 -3.174 -11.111 1.00 0.58 H new ATOM 0 HG3 GLU D 21 -9.524 -1.427 -11.030 1.00 0.58 H new ATOM 2472 N MET D 22 -5.879 -1.360 -8.047 1.00 0.32 N ATOM 2473 CA MET D 22 -4.616 -1.442 -7.271 1.00 0.29 C ATOM 2474 C MET D 22 -4.936 -1.836 -5.829 1.00 0.25 C ATOM 2475 O MET D 22 -4.357 -2.752 -5.278 1.00 0.25 O ATOM 2476 CB MET D 22 -3.932 -0.079 -7.281 1.00 0.32 C ATOM 2477 CG MET D 22 -2.540 -0.218 -6.681 1.00 0.31 C ATOM 2478 SD MET D 22 -1.747 1.407 -6.623 1.00 0.42 S ATOM 2479 CE MET D 22 -2.195 1.825 -4.921 1.00 0.43 C ATOM 0 H MET D 22 -6.108 -0.433 -8.406 1.00 0.32 H new ATOM 0 HA MET D 22 -3.957 -2.187 -7.717 1.00 0.29 H new ATOM 0 HB2 MET D 22 -3.866 0.302 -8.300 1.00 0.32 H new ATOM 0 HB3 MET D 22 -4.518 0.640 -6.709 1.00 0.32 H new ATOM 0 HG2 MET D 22 -2.605 -0.640 -5.678 1.00 0.31 H new ATOM 0 HG3 MET D 22 -1.941 -0.906 -7.278 1.00 0.31 H new ATOM 0 HE1 MET D 22 -2.384 2.896 -4.847 1.00 0.43 H new ATOM 0 HE2 MET D 22 -3.094 1.278 -4.636 1.00 0.43 H new ATOM 0 HE3 MET D 22 -1.378 1.554 -4.253 1.00 0.43 H new ATOM 2489 N PHE D 23 -5.866 -1.153 -5.218 1.00 0.24 N ATOM 2490 CA PHE D 23 -6.243 -1.486 -3.817 1.00 0.22 C ATOM 2491 C PHE D 23 -6.777 -2.918 -3.777 1.00 0.23 C ATOM 2492 O PHE D 23 -6.492 -3.672 -2.867 1.00 0.23 O ATOM 2493 CB PHE D 23 -7.317 -0.501 -3.318 1.00 0.23 C ATOM 2494 CG PHE D 23 -6.658 0.757 -2.780 1.00 0.23 C ATOM 2495 CD1 PHE D 23 -5.739 1.472 -3.573 1.00 0.25 C ATOM 2496 CD2 PHE D 23 -6.963 1.211 -1.480 1.00 0.26 C ATOM 2497 CE1 PHE D 23 -5.127 2.637 -3.068 1.00 0.26 C ATOM 2498 CE2 PHE D 23 -6.352 2.375 -0.976 1.00 0.27 C ATOM 2499 CZ PHE D 23 -5.434 3.088 -1.770 1.00 0.26 C ATOM 0 H PHE D 23 -6.382 -0.376 -5.632 1.00 0.24 H new ATOM 0 HA PHE D 23 -5.371 -1.405 -3.168 1.00 0.22 H new ATOM 0 HB2 PHE D 23 -7.995 -0.246 -4.132 1.00 0.23 H new ATOM 0 HB3 PHE D 23 -7.917 -0.969 -2.538 1.00 0.23 H new ATOM 0 HD1 PHE D 23 -5.503 1.127 -4.569 1.00 0.25 H new ATOM 0 HD2 PHE D 23 -7.667 0.665 -0.870 1.00 0.26 H new ATOM 0 HE1 PHE D 23 -4.422 3.184 -3.677 1.00 0.26 H new ATOM 0 HE2 PHE D 23 -6.588 2.721 0.020 1.00 0.27 H new ATOM 0 HZ PHE D 23 -4.965 3.981 -1.384 1.00 0.26 H new ATOM 2509 N ARG D 24 -7.542 -3.302 -4.761 1.00 0.26 N ATOM 2510 CA ARG D 24 -8.081 -4.687 -4.777 1.00 0.28 C ATOM 2511 C ARG D 24 -6.906 -5.660 -4.702 1.00 0.26 C ATOM 2512 O ARG D 24 -6.903 -6.590 -3.921 1.00 0.27 O ATOM 2513 CB ARG D 24 -8.844 -4.922 -6.084 1.00 0.34 C ATOM 2514 CG ARG D 24 -9.606 -6.250 -6.008 1.00 0.43 C ATOM 2515 CD ARG D 24 -10.010 -6.691 -7.418 1.00 0.88 C ATOM 2516 NE ARG D 24 -10.580 -5.533 -8.161 1.00 1.26 N ATOM 2517 CZ ARG D 24 -10.695 -5.585 -9.461 1.00 1.74 C ATOM 2518 NH1 ARG D 24 -10.319 -6.655 -10.107 1.00 2.21 N ATOM 2519 NH2 ARG D 24 -11.180 -4.567 -10.119 1.00 2.45 N ATOM 0 H ARG D 24 -7.815 -2.718 -5.551 1.00 0.26 H new ATOM 0 HA ARG D 24 -8.755 -4.837 -3.933 1.00 0.28 H new ATOM 0 HB2 ARG D 24 -9.540 -4.102 -6.262 1.00 0.34 H new ATOM 0 HB3 ARG D 24 -8.149 -4.938 -6.924 1.00 0.34 H new ATOM 0 HG2 ARG D 24 -8.982 -7.013 -5.542 1.00 0.43 H new ATOM 0 HG3 ARG D 24 -10.492 -6.137 -5.383 1.00 0.43 H new ATOM 0 HD2 ARG D 24 -9.143 -7.085 -7.949 1.00 0.88 H new ATOM 0 HD3 ARG D 24 -10.743 -7.496 -7.362 1.00 0.88 H new ATOM 0 HE ARG D 24 -10.880 -4.700 -7.655 1.00 1.26 H new ATOM 0 HH11 ARG D 24 -9.935 -7.450 -9.597 1.00 2.21 H new ATOM 0 HH12 ARG D 24 -10.409 -6.696 -11.122 1.00 2.21 H new ATOM 0 HH21 ARG D 24 -11.471 -3.727 -9.618 1.00 2.45 H new ATOM 0 HH22 ARG D 24 -11.268 -4.611 -11.134 1.00 2.45 H new ATOM 2533 N GLU D 25 -5.902 -5.443 -5.508 1.00 0.26 N ATOM 2534 CA GLU D 25 -4.718 -6.341 -5.481 1.00 0.26 C ATOM 2535 C GLU D 25 -4.093 -6.297 -4.087 1.00 0.23 C ATOM 2536 O GLU D 25 -3.776 -7.316 -3.506 1.00 0.24 O ATOM 2537 CB GLU D 25 -3.702 -5.877 -6.531 1.00 0.29 C ATOM 2538 CG GLU D 25 -2.492 -6.817 -6.533 1.00 0.35 C ATOM 2539 CD GLU D 25 -1.494 -6.356 -7.596 1.00 1.06 C ATOM 2540 OE1 GLU D 25 -1.827 -5.447 -8.339 1.00 1.75 O ATOM 2541 OE2 GLU D 25 -0.416 -6.923 -7.655 1.00 1.75 O ATOM 0 H GLU D 25 -5.853 -4.681 -6.184 1.00 0.26 H new ATOM 0 HA GLU D 25 -5.019 -7.364 -5.709 1.00 0.26 H new ATOM 0 HB2 GLU D 25 -4.165 -5.863 -7.518 1.00 0.29 H new ATOM 0 HB3 GLU D 25 -3.382 -4.858 -6.315 1.00 0.29 H new ATOM 0 HG2 GLU D 25 -2.019 -6.821 -5.551 1.00 0.35 H new ATOM 0 HG3 GLU D 25 -2.812 -7.839 -6.737 1.00 0.35 H new ATOM 2548 N LEU D 26 -3.917 -5.122 -3.541 1.00 0.21 N ATOM 2549 CA LEU D 26 -3.317 -5.020 -2.182 1.00 0.21 C ATOM 2550 C LEU D 26 -4.230 -5.723 -1.178 1.00 0.22 C ATOM 2551 O LEU D 26 -3.783 -6.483 -0.342 1.00 0.25 O ATOM 2552 CB LEU D 26 -3.177 -3.545 -1.788 1.00 0.22 C ATOM 2553 CG LEU D 26 -2.188 -2.832 -2.723 1.00 0.26 C ATOM 2554 CD1 LEU D 26 -2.185 -1.331 -2.400 1.00 0.31 C ATOM 2555 CD2 LEU D 26 -0.768 -3.403 -2.537 1.00 0.31 C ATOM 0 H LEU D 26 -4.162 -4.233 -3.977 1.00 0.21 H new ATOM 0 HA LEU D 26 -2.333 -5.489 -2.183 1.00 0.21 H new ATOM 0 HB2 LEU D 26 -4.150 -3.055 -1.836 1.00 0.22 H new ATOM 0 HB3 LEU D 26 -2.832 -3.469 -0.757 1.00 0.22 H new ATOM 0 HG LEU D 26 -2.495 -2.990 -3.757 1.00 0.26 H new ATOM 0 HD11 LEU D 26 -1.485 -0.818 -3.060 1.00 0.31 H new ATOM 0 HD12 LEU D 26 -3.186 -0.925 -2.547 1.00 0.31 H new ATOM 0 HD13 LEU D 26 -1.882 -1.182 -1.364 1.00 0.31 H new ATOM 0 HD21 LEU D 26 -0.078 -2.888 -3.206 1.00 0.31 H new ATOM 0 HD22 LEU D 26 -0.449 -3.257 -1.505 1.00 0.31 H new ATOM 0 HD23 LEU D 26 -0.771 -4.468 -2.769 1.00 0.31 H new ATOM 2567 N ASN D 27 -5.508 -5.472 -1.254 1.00 0.25 N ATOM 2568 CA ASN D 27 -6.451 -6.124 -0.305 1.00 0.30 C ATOM 2569 C ASN D 27 -6.363 -7.642 -0.459 1.00 0.26 C ATOM 2570 O ASN D 27 -6.220 -8.368 0.504 1.00 0.26 O ATOM 2571 CB ASN D 27 -7.876 -5.663 -0.617 1.00 0.38 C ATOM 2572 CG ASN D 27 -8.854 -6.319 0.357 1.00 0.49 C ATOM 2573 OD1 ASN D 27 -9.603 -7.200 -0.016 1.00 1.22 O ATOM 2574 ND2 ASN D 27 -8.882 -5.921 1.598 1.00 0.56 N ATOM 0 H ASN D 27 -5.939 -4.844 -1.932 1.00 0.25 H new ATOM 0 HA ASN D 27 -6.190 -5.849 0.717 1.00 0.30 H new ATOM 0 HB2 ASN D 27 -7.943 -4.578 -0.539 1.00 0.38 H new ATOM 0 HB3 ASN D 27 -8.137 -5.926 -1.642 1.00 0.38 H new ATOM 0 HD21 ASN D 27 -9.533 -6.349 2.256 1.00 0.56 H new ATOM 0 HD22 ASN D 27 -8.253 -5.181 1.911 1.00 0.56 H new ATOM 2581 N GLU D 28 -6.449 -8.127 -1.668 1.00 0.28 N ATOM 2582 CA GLU D 28 -6.377 -9.599 -1.893 1.00 0.29 C ATOM 2583 C GLU D 28 -5.022 -10.132 -1.424 1.00 0.25 C ATOM 2584 O GLU D 28 -4.927 -11.196 -0.846 1.00 0.26 O ATOM 2585 CB GLU D 28 -6.546 -9.894 -3.383 1.00 0.36 C ATOM 2586 CG GLU D 28 -7.989 -9.603 -3.801 1.00 0.43 C ATOM 2587 CD GLU D 28 -8.158 -9.899 -5.294 1.00 1.02 C ATOM 2588 OE1 GLU D 28 -7.160 -10.176 -5.940 1.00 1.71 O ATOM 2589 OE2 GLU D 28 -9.282 -9.847 -5.764 1.00 1.73 O ATOM 0 H GLU D 28 -6.566 -7.566 -2.512 1.00 0.28 H new ATOM 0 HA GLU D 28 -7.171 -10.086 -1.328 1.00 0.29 H new ATOM 0 HB2 GLU D 28 -5.857 -9.283 -3.966 1.00 0.36 H new ATOM 0 HB3 GLU D 28 -6.300 -10.936 -3.588 1.00 0.36 H new ATOM 0 HG2 GLU D 28 -8.678 -10.214 -3.218 1.00 0.43 H new ATOM 0 HG3 GLU D 28 -8.235 -8.561 -3.596 1.00 0.43 H new ATOM 2596 N ALA D 29 -3.969 -9.406 -1.677 1.00 0.24 N ATOM 2597 CA ALA D 29 -2.623 -9.881 -1.255 1.00 0.25 C ATOM 2598 C ALA D 29 -2.595 -10.058 0.267 1.00 0.24 C ATOM 2599 O ALA D 29 -2.188 -11.085 0.773 1.00 0.25 O ATOM 2600 CB ALA D 29 -1.570 -8.851 -1.682 1.00 0.28 C ATOM 0 H ALA D 29 -3.983 -8.506 -2.157 1.00 0.24 H new ATOM 0 HA ALA D 29 -2.405 -10.839 -1.727 1.00 0.25 H new ATOM 0 HB1 ALA D 29 -0.581 -9.193 -1.376 1.00 0.28 H new ATOM 0 HB2 ALA D 29 -1.594 -8.734 -2.765 1.00 0.28 H new ATOM 0 HB3 ALA D 29 -1.785 -7.893 -1.209 1.00 0.28 H new ATOM 2606 N LEU D 30 -3.024 -9.068 1.001 1.00 0.24 N ATOM 2607 CA LEU D 30 -3.021 -9.196 2.485 1.00 0.26 C ATOM 2608 C LEU D 30 -3.935 -10.354 2.894 1.00 0.28 C ATOM 2609 O LEU D 30 -3.586 -11.172 3.722 1.00 0.31 O ATOM 2610 CB LEU D 30 -3.531 -7.896 3.113 1.00 0.26 C ATOM 2611 CG LEU D 30 -2.517 -6.764 2.882 1.00 0.26 C ATOM 2612 CD1 LEU D 30 -3.127 -5.439 3.355 1.00 0.29 C ATOM 2613 CD2 LEU D 30 -1.211 -7.041 3.661 1.00 0.26 C ATOM 0 H LEU D 30 -3.375 -8.181 0.640 1.00 0.24 H new ATOM 0 HA LEU D 30 -2.006 -9.390 2.832 1.00 0.26 H new ATOM 0 HB2 LEU D 30 -4.494 -7.627 2.679 1.00 0.26 H new ATOM 0 HB3 LEU D 30 -3.692 -8.038 4.182 1.00 0.26 H new ATOM 0 HG LEU D 30 -2.282 -6.707 1.819 1.00 0.26 H new ATOM 0 HD11 LEU D 30 -2.413 -4.632 3.194 1.00 0.29 H new ATOM 0 HD12 LEU D 30 -4.037 -5.236 2.791 1.00 0.29 H new ATOM 0 HD13 LEU D 30 -3.365 -5.506 4.417 1.00 0.29 H new ATOM 0 HD21 LEU D 30 -0.504 -6.230 3.486 1.00 0.26 H new ATOM 0 HD22 LEU D 30 -1.430 -7.108 4.727 1.00 0.26 H new ATOM 0 HD23 LEU D 30 -0.776 -7.981 3.320 1.00 0.26 H new ATOM 2625 N GLU D 31 -5.105 -10.430 2.318 1.00 0.31 N ATOM 2626 CA GLU D 31 -6.036 -11.537 2.676 1.00 0.35 C ATOM 2627 C GLU D 31 -5.376 -12.878 2.356 1.00 0.33 C ATOM 2628 O GLU D 31 -5.467 -13.823 3.114 1.00 0.35 O ATOM 2629 CB GLU D 31 -7.329 -11.397 1.872 1.00 0.40 C ATOM 2630 CG GLU D 31 -8.108 -10.180 2.373 1.00 0.47 C ATOM 2631 CD GLU D 31 -9.404 -10.032 1.575 1.00 1.12 C ATOM 2632 OE1 GLU D 31 -9.556 -10.738 0.592 1.00 1.66 O ATOM 2633 OE2 GLU D 31 -10.226 -9.220 1.965 1.00 1.91 O ATOM 0 H GLU D 31 -5.455 -9.776 1.618 1.00 0.31 H new ATOM 0 HA GLU D 31 -6.266 -11.490 3.740 1.00 0.35 H new ATOM 0 HB2 GLU D 31 -7.101 -11.286 0.812 1.00 0.40 H new ATOM 0 HB3 GLU D 31 -7.934 -12.298 1.975 1.00 0.40 H new ATOM 0 HG2 GLU D 31 -8.334 -10.292 3.433 1.00 0.47 H new ATOM 0 HG3 GLU D 31 -7.501 -9.280 2.270 1.00 0.47 H new ATOM 2640 N LEU D 32 -4.706 -12.967 1.240 1.00 0.30 N ATOM 2641 CA LEU D 32 -4.035 -14.245 0.876 1.00 0.30 C ATOM 2642 C LEU D 32 -3.012 -14.597 1.958 1.00 0.29 C ATOM 2643 O LEU D 32 -2.979 -15.703 2.461 1.00 0.33 O ATOM 2644 CB LEU D 32 -3.329 -14.082 -0.475 1.00 0.30 C ATOM 2645 CG LEU D 32 -2.625 -15.388 -0.874 1.00 0.36 C ATOM 2646 CD1 LEU D 32 -3.654 -16.524 -1.024 1.00 0.43 C ATOM 2647 CD2 LEU D 32 -1.898 -15.169 -2.205 1.00 0.40 C ATOM 0 H LEU D 32 -4.595 -12.210 0.565 1.00 0.30 H new ATOM 0 HA LEU D 32 -4.773 -15.044 0.799 1.00 0.30 H new ATOM 0 HB2 LEU D 32 -4.054 -13.804 -1.240 1.00 0.30 H new ATOM 0 HB3 LEU D 32 -2.601 -13.273 -0.417 1.00 0.30 H new ATOM 0 HG LEU D 32 -1.910 -15.668 -0.100 1.00 0.36 H new ATOM 0 HD11 LEU D 32 -3.142 -17.444 -1.307 1.00 0.43 H new ATOM 0 HD12 LEU D 32 -4.172 -16.674 -0.076 1.00 0.43 H new ATOM 0 HD13 LEU D 32 -4.378 -16.260 -1.795 1.00 0.43 H new ATOM 0 HD21 LEU D 32 -1.394 -16.089 -2.500 1.00 0.40 H new ATOM 0 HD22 LEU D 32 -2.620 -14.889 -2.972 1.00 0.40 H new ATOM 0 HD23 LEU D 32 -1.162 -14.373 -2.091 1.00 0.40 H new ATOM 2659 N LYS D 33 -2.175 -13.662 2.315 1.00 0.29 N ATOM 2660 CA LYS D 33 -1.149 -13.936 3.358 1.00 0.32 C ATOM 2661 C LYS D 33 -1.843 -14.321 4.664 1.00 0.38 C ATOM 2662 O LYS D 33 -1.420 -15.225 5.359 1.00 0.43 O ATOM 2663 CB LYS D 33 -0.297 -12.684 3.575 1.00 0.35 C ATOM 2664 CG LYS D 33 0.833 -12.996 4.565 1.00 0.44 C ATOM 2665 CD LYS D 33 1.701 -11.747 4.795 1.00 0.48 C ATOM 2666 CE LYS D 33 2.707 -11.574 3.647 1.00 0.81 C ATOM 2667 NZ LYS D 33 3.528 -12.812 3.506 1.00 1.57 N ATOM 0 H LYS D 33 -2.158 -12.718 1.928 1.00 0.29 H new ATOM 0 HA LYS D 33 -0.508 -14.756 3.035 1.00 0.32 H new ATOM 0 HB2 LYS D 33 0.120 -12.347 2.626 1.00 0.35 H new ATOM 0 HB3 LYS D 33 -0.916 -11.872 3.958 1.00 0.35 H new ATOM 0 HG2 LYS D 33 0.413 -13.335 5.512 1.00 0.44 H new ATOM 0 HG3 LYS D 33 1.449 -13.809 4.180 1.00 0.44 H new ATOM 0 HD2 LYS D 33 1.066 -10.864 4.867 1.00 0.48 H new ATOM 0 HD3 LYS D 33 2.233 -11.835 5.742 1.00 0.48 H new ATOM 0 HE2 LYS D 33 2.179 -11.368 2.716 1.00 0.81 H new ATOM 0 HE3 LYS D 33 3.353 -10.718 3.843 1.00 0.81 H new ATOM 0 HZ1 LYS D 33 4.524 -12.553 3.358 1.00 1.57 H new ATOM 0 HZ2 LYS D 33 3.444 -13.385 4.370 1.00 1.57 H new ATOM 0 HZ3 LYS D 33 3.189 -13.362 2.691 1.00 1.57 H new ATOM 2681 N ASP D 34 -2.908 -13.647 5.001 1.00 0.43 N ATOM 2682 CA ASP D 34 -3.631 -13.979 6.259 1.00 0.51 C ATOM 2683 C ASP D 34 -4.115 -15.428 6.205 1.00 0.51 C ATOM 2684 O ASP D 34 -4.071 -16.146 7.184 1.00 0.58 O ATOM 2685 CB ASP D 34 -4.834 -13.050 6.429 1.00 0.59 C ATOM 2686 CG ASP D 34 -4.348 -11.641 6.766 1.00 0.67 C ATOM 2687 OD1 ASP D 34 -3.181 -11.500 7.091 1.00 1.44 O ATOM 2688 OD2 ASP D 34 -5.153 -10.729 6.701 1.00 1.12 O ATOM 0 H ASP D 34 -3.308 -12.881 4.459 1.00 0.43 H new ATOM 0 HA ASP D 34 -2.954 -13.850 7.103 1.00 0.51 H new ATOM 0 HB2 ASP D 34 -5.425 -13.033 5.514 1.00 0.59 H new ATOM 0 HB3 ASP D 34 -5.484 -13.421 7.221 1.00 0.59 H new ATOM 2693 N ALA D 35 -4.588 -15.860 5.070 1.00 0.49 N ATOM 2694 CA ALA D 35 -5.084 -17.258 4.960 1.00 0.55 C ATOM 2695 C ALA D 35 -3.944 -18.232 5.258 1.00 0.54 C ATOM 2696 O ALA D 35 -4.115 -19.194 5.979 1.00 0.64 O ATOM 2697 CB ALA D 35 -5.609 -17.503 3.545 1.00 0.63 C ATOM 0 H ALA D 35 -4.652 -15.306 4.216 1.00 0.49 H new ATOM 0 HA ALA D 35 -5.889 -17.414 5.678 1.00 0.55 H new ATOM 0 HB1 ALA D 35 -5.973 -18.527 3.464 1.00 0.63 H new ATOM 0 HB2 ALA D 35 -6.424 -16.811 3.335 1.00 0.63 H new ATOM 0 HB3 ALA D 35 -4.805 -17.346 2.826 1.00 0.63 H new ATOM 2703 N GLN D 36 -2.780 -17.993 4.716 1.00 0.51 N ATOM 2704 CA GLN D 36 -1.635 -18.913 4.982 1.00 0.59 C ATOM 2705 C GLN D 36 -0.982 -18.542 6.314 1.00 0.66 C ATOM 2706 O GLN D 36 -0.145 -19.260 6.824 1.00 0.85 O ATOM 2707 CB GLN D 36 -0.601 -18.798 3.862 1.00 0.62 C ATOM 2708 CG GLN D 36 -1.168 -19.407 2.579 1.00 0.96 C ATOM 2709 CD GLN D 36 -0.129 -19.289 1.464 1.00 0.86 C ATOM 2710 OE1 GLN D 36 0.945 -18.577 1.666 1.00 1.21 O flip ATOM 2711 NE2 GLN D 36 -0.288 -19.865 0.405 1.00 0.71 N flip ATOM 0 H GLN D 36 -2.572 -17.204 4.103 1.00 0.51 H new ATOM 0 HA GLN D 36 -2.004 -19.938 5.026 1.00 0.59 H new ATOM 0 HB2 GLN D 36 -0.343 -17.752 3.697 1.00 0.62 H new ATOM 0 HB3 GLN D 36 0.317 -19.312 4.146 1.00 0.62 H new ATOM 0 HG2 GLN D 36 -1.426 -20.453 2.742 1.00 0.96 H new ATOM 0 HG3 GLN D 36 -2.086 -18.893 2.293 1.00 0.96 H new ATOM 0 HE21 GLN D 36 -1.128 -20.422 0.248 1.00 0.71 H new ATOM 0 HE22 GLN D 36 0.419 -19.792 -0.327 1.00 0.71 H new