USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 789 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 73 THR OG1 : rot -40:sc= 1.05 USER MOD Set 1.2: A 89 LYS NZ :NH3+ -160:sc= 2.27 (180deg=0.384) USER MOD Set 2.1: A 66 GLN : amide:sc= 0.572 K(o=1.7,f=0.064) USER MOD Set 2.2: A 68 THR OG1 : rot -25:sc= 1.16 USER MOD Set 3.1: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 56 SER OG : rot -160:sc= -0.293 USER MOD Set 4.1: A 35 ASN : amide:sc= 0.129 K(o=-1.6,f=2.6) USER MOD Set 4.2: A 111 GLN : amide:sc= -1.71! K(o=-1.6!,f=2.6) USER MOD Single : A 13 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= 1.2 (180deg=1.11) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -164:sc= -0.0305 (180deg=-0.341) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 42 GLN : amide:sc= -0.797 K(o=-0.8,f=-1.8) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= 1.75 (180deg=0.467) USER MOD Single : A 62 TYR OH : rot 47:sc= 0.347 USER MOD Single : A 63 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.011) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 79 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.16) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 133:sc= -0.0749 (180deg=-0.543) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 163:sc= -2.18! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -107:sc= 1.24 (180deg=-0.565) USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 9 12.026 1.811 4.141 1.00 3.85 N ATOM 109 CA ARG A 9 10.731 1.895 4.809 1.00 3.14 C ATOM 110 C ARG A 9 10.213 3.331 4.821 1.00 2.98 C ATOM 111 O ARG A 9 10.073 3.946 5.879 1.00 3.23 O ATOM 112 CB ARG A 9 10.853 1.361 6.236 1.00 2.97 C ATOM 113 CG ARG A 9 11.615 0.048 6.314 1.00 3.11 C ATOM 114 CD ARG A 9 11.879 -0.370 7.749 1.00 3.35 C ATOM 115 NE ARG A 9 10.677 -0.863 8.415 1.00 3.78 N ATOM 116 CZ ARG A 9 10.641 -1.269 9.682 1.00 4.27 C ATOM 117 NH1 ARG A 9 11.708 -1.133 10.462 1.00 4.46 N ATOM 118 NH2 ARG A 9 9.521 -1.776 10.177 1.00 4.95 N ATOM 0 HA ARG A 9 10.015 1.286 4.257 1.00 3.14 H new ATOM 0 HB2 ARG A 9 11.356 2.104 6.855 1.00 2.97 H new ATOM 0 HB3 ARG A 9 9.856 1.222 6.653 1.00 2.97 H new ATOM 0 HG2 ARG A 9 11.047 -0.732 5.808 1.00 3.11 H new ATOM 0 HG3 ARG A 9 12.563 0.146 5.785 1.00 3.11 H new ATOM 0 HD2 ARG A 9 12.644 -1.147 7.764 1.00 3.35 H new ATOM 0 HD3 ARG A 9 12.277 0.479 8.305 1.00 3.35 H new ATOM 0 HE ARG A 9 9.812 -0.898 7.876 1.00 3.78 H new ATOM 0 HH11 ARG A 9 12.561 -0.715 10.091 1.00 4.46 H new ATOM 0 HH12 ARG A 9 11.674 -1.446 11.432 1.00 4.46 H new ATOM 0 HH21 ARG A 9 8.692 -1.854 9.588 1.00 4.95 H new ATOM 0 HH22 ARG A 9 9.488 -2.089 11.147 1.00 4.95 H new ATOM 132 N ILE A 10 9.947 3.853 3.631 1.00 2.78 N ATOM 133 CA ILE A 10 9.460 5.216 3.465 1.00 2.70 C ATOM 134 C ILE A 10 8.132 5.423 4.194 1.00 2.20 C ATOM 135 O ILE A 10 7.902 6.475 4.792 1.00 2.49 O ATOM 136 CB ILE A 10 9.314 5.592 1.965 1.00 2.80 C ATOM 137 CG1 ILE A 10 8.927 7.064 1.807 1.00 2.80 C ATOM 138 CG2 ILE A 10 8.294 4.703 1.266 1.00 2.55 C ATOM 139 CD1 ILE A 10 10.032 8.027 2.175 1.00 3.25 C ATOM 0 H ILE A 10 10.063 3.344 2.755 1.00 2.78 H new ATOM 0 HA ILE A 10 10.204 5.877 3.909 1.00 2.70 H new ATOM 0 HB ILE A 10 10.283 5.433 1.493 1.00 2.80 H new ATOM 0 HG12 ILE A 10 8.630 7.243 0.774 1.00 2.80 H new ATOM 0 HG13 ILE A 10 8.056 7.270 2.429 1.00 2.80 H new ATOM 0 HG21 ILE A 10 8.216 4.993 0.218 1.00 2.55 H new ATOM 0 HG22 ILE A 10 8.612 3.663 1.332 1.00 2.55 H new ATOM 0 HG23 ILE A 10 7.322 4.816 1.747 1.00 2.55 H new ATOM 0 HD11 ILE A 10 9.683 9.051 2.038 1.00 3.25 H new ATOM 0 HD12 ILE A 10 10.314 7.876 3.217 1.00 3.25 H new ATOM 0 HD13 ILE A 10 10.897 7.849 1.536 1.00 3.25 H new ATOM 151 N ILE A 11 7.265 4.418 4.156 1.00 1.98 N ATOM 152 CA ILE A 11 5.981 4.508 4.825 1.00 1.56 C ATOM 153 C ILE A 11 5.802 3.347 5.806 1.00 1.31 C ATOM 154 O ILE A 11 6.326 3.394 6.918 1.00 1.71 O ATOM 155 CB ILE A 11 4.796 4.562 3.820 1.00 1.37 C ATOM 156 CG1 ILE A 11 5.028 5.672 2.782 1.00 1.94 C ATOM 157 CG2 ILE A 11 3.477 4.800 4.554 1.00 1.05 C ATOM 158 CD1 ILE A 11 3.965 5.727 1.696 1.00 2.05 C ATOM 0 H ILE A 11 7.430 3.537 3.670 1.00 1.98 H new ATOM 0 HA ILE A 11 5.974 5.445 5.381 1.00 1.56 H new ATOM 0 HB ILE A 11 4.739 3.602 3.306 1.00 1.37 H new ATOM 0 HG12 ILE A 11 5.062 6.634 3.294 1.00 1.94 H new ATOM 0 HG13 ILE A 11 6.003 5.524 2.317 1.00 1.94 H new ATOM 0 HG21 ILE A 11 2.660 4.834 3.833 1.00 1.05 H new ATOM 0 HG22 ILE A 11 3.303 3.989 5.261 1.00 1.05 H new ATOM 0 HG23 ILE A 11 3.526 5.747 5.092 1.00 1.05 H new ATOM 0 HD11 ILE A 11 4.196 6.534 1.001 1.00 2.05 H new ATOM 0 HD12 ILE A 11 3.945 4.779 1.158 1.00 2.05 H new ATOM 0 HD13 ILE A 11 2.990 5.907 2.150 1.00 2.05 H new ATOM 170 N ARG A 12 5.077 2.311 5.398 1.00 0.96 N ATOM 171 CA ARG A 12 4.835 1.150 6.259 1.00 1.02 C ATOM 172 C ARG A 12 4.519 -0.090 5.439 1.00 0.77 C ATOM 173 O ARG A 12 4.449 -0.039 4.213 1.00 0.91 O ATOM 174 CB ARG A 12 3.658 1.397 7.223 1.00 1.53 C ATOM 175 CG ARG A 12 4.018 2.100 8.522 1.00 2.10 C ATOM 176 CD ARG A 12 3.722 3.591 8.465 1.00 2.67 C ATOM 177 NE ARG A 12 4.229 4.294 9.646 1.00 3.29 N ATOM 178 CZ ARG A 12 3.746 4.139 10.882 1.00 3.98 C ATOM 179 NH1 ARG A 12 2.500 3.715 11.049 1.00 4.30 N ATOM 180 NH2 ARG A 12 4.348 4.758 11.891 1.00 4.72 N ATOM 0 H ARG A 12 4.645 2.248 4.476 1.00 0.96 H new ATOM 0 HA ARG A 12 5.751 0.995 6.829 1.00 1.02 H new ATOM 0 HB2 ARG A 12 2.904 1.990 6.705 1.00 1.53 H new ATOM 0 HB3 ARG A 12 3.199 0.438 7.463 1.00 1.53 H new ATOM 0 HG2 ARG A 12 3.460 1.651 9.344 1.00 2.10 H new ATOM 0 HG3 ARG A 12 5.076 1.948 8.735 1.00 2.10 H new ATOM 0 HD2 ARG A 12 4.172 4.016 7.568 1.00 2.67 H new ATOM 0 HD3 ARG A 12 2.646 3.745 8.385 1.00 2.67 H new ATOM 0 HE ARG A 12 5.003 4.946 9.516 1.00 3.29 H new ATOM 0 HH11 ARG A 12 1.918 3.510 10.237 1.00 4.30 H new ATOM 0 HH12 ARG A 12 2.124 3.594 11.989 1.00 4.30 H new ATOM 0 HH21 ARG A 12 5.166 5.341 11.716 1.00 4.72 H new ATOM 0 HH22 ARG A 12 3.992 4.650 12.841 1.00 4.72 H new ATOM 194 N HIS A 13 4.312 -1.202 6.132 1.00 0.70 N ATOM 195 CA HIS A 13 3.980 -2.459 5.481 1.00 0.68 C ATOM 196 C HIS A 13 2.828 -3.143 6.218 1.00 0.74 C ATOM 197 O HIS A 13 2.878 -3.299 7.437 1.00 1.04 O ATOM 198 CB HIS A 13 5.213 -3.380 5.421 1.00 0.93 C ATOM 199 CG HIS A 13 5.569 -4.056 6.719 1.00 1.07 C ATOM 200 ND1 HIS A 13 6.097 -3.402 7.816 1.00 1.69 N ATOM 201 CD2 HIS A 13 5.428 -5.347 7.090 1.00 1.46 C ATOM 202 CE1 HIS A 13 6.261 -4.268 8.800 1.00 1.98 C ATOM 203 NE2 HIS A 13 5.863 -5.455 8.384 1.00 1.80 N ATOM 0 H HIS A 13 4.369 -1.257 7.149 1.00 0.70 H new ATOM 0 HA HIS A 13 3.664 -2.252 4.459 1.00 0.68 H new ATOM 0 HB2 HIS A 13 5.038 -4.147 4.666 1.00 0.93 H new ATOM 0 HB3 HIS A 13 6.069 -2.794 5.088 1.00 0.93 H new ATOM 0 HD2 HIS A 13 5.042 -6.149 6.477 1.00 1.46 H new ATOM 0 HE1 HIS A 13 6.655 -4.042 9.780 1.00 1.98 H new ATOM 0 HE2 HIS A 13 5.877 -6.313 8.936 1.00 1.80 H new ATOM 212 N ASP A 14 1.791 -3.540 5.488 1.00 0.60 N ATOM 213 CA ASP A 14 0.640 -4.205 6.106 1.00 0.69 C ATOM 214 C ASP A 14 -0.195 -4.939 5.051 1.00 0.61 C ATOM 215 O ASP A 14 0.353 -5.449 4.071 1.00 0.86 O ATOM 216 CB ASP A 14 -0.220 -3.194 6.864 1.00 0.83 C ATOM 217 CG ASP A 14 -1.057 -3.841 7.949 1.00 1.31 C ATOM 218 OD1 ASP A 14 -0.478 -4.320 8.948 1.00 2.03 O ATOM 219 OD2 ASP A 14 -2.293 -3.892 7.792 1.00 1.78 O ATOM 0 H ASP A 14 1.720 -3.417 4.478 1.00 0.60 H new ATOM 0 HA ASP A 14 1.013 -4.942 6.817 1.00 0.69 H new ATOM 0 HB2 ASP A 14 0.424 -2.436 7.310 1.00 0.83 H new ATOM 0 HB3 ASP A 14 -0.876 -2.681 6.161 1.00 0.83 H new ATOM 224 N ALA A 15 -1.513 -4.992 5.243 1.00 0.75 N ATOM 225 CA ALA A 15 -2.389 -5.666 4.302 1.00 0.71 C ATOM 226 C ALA A 15 -3.812 -5.135 4.372 1.00 0.68 C ATOM 227 O ALA A 15 -4.270 -4.700 5.421 1.00 0.88 O ATOM 228 CB ALA A 15 -2.388 -7.165 4.563 1.00 0.84 C ATOM 0 H ALA A 15 -1.991 -4.575 6.042 1.00 0.75 H new ATOM 0 HA ALA A 15 -2.005 -5.468 3.301 1.00 0.71 H new ATOM 0 HB1 ALA A 15 -3.049 -7.659 3.851 1.00 0.84 H new ATOM 0 HB2 ALA A 15 -1.376 -7.554 4.449 1.00 0.84 H new ATOM 0 HB3 ALA A 15 -2.738 -7.358 5.577 1.00 0.84 H new ATOM 234 N PHE A 16 -4.516 -5.200 3.258 1.00 0.60 N ATOM 235 CA PHE A 16 -5.900 -4.758 3.200 1.00 0.67 C ATOM 236 C PHE A 16 -6.717 -5.761 2.403 1.00 0.68 C ATOM 237 O PHE A 16 -6.239 -6.312 1.420 1.00 1.00 O ATOM 238 CB PHE A 16 -6.029 -3.366 2.570 1.00 0.77 C ATOM 239 CG PHE A 16 -5.606 -2.242 3.473 1.00 1.09 C ATOM 240 CD1 PHE A 16 -6.154 -2.123 4.737 1.00 1.83 C ATOM 241 CD2 PHE A 16 -4.681 -1.298 3.057 1.00 1.74 C ATOM 242 CE1 PHE A 16 -5.788 -1.087 5.572 1.00 2.36 C ATOM 243 CE2 PHE A 16 -4.308 -0.260 3.890 1.00 2.26 C ATOM 244 CZ PHE A 16 -4.864 -0.156 5.152 1.00 2.35 C ATOM 0 H PHE A 16 -4.151 -5.557 2.375 1.00 0.60 H new ATOM 0 HA PHE A 16 -6.276 -4.694 4.221 1.00 0.67 H new ATOM 0 HB2 PHE A 16 -5.428 -3.333 1.661 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -7.066 -3.208 2.273 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -6.878 -2.850 5.075 1.00 1.83 H new ATOM 0 HD2 PHE A 16 -4.247 -1.374 2.071 1.00 1.74 H new ATOM 0 HE1 PHE A 16 -6.227 -1.006 6.556 1.00 2.36 H new ATOM 0 HE2 PHE A 16 -3.584 0.468 3.556 1.00 2.26 H new ATOM 0 HZ PHE A 16 -4.574 0.653 5.806 1.00 2.35 H new ATOM 254 N GLN A 17 -7.942 -5.991 2.815 1.00 0.59 N ATOM 255 CA GLN A 17 -8.811 -6.924 2.118 1.00 0.60 C ATOM 256 C GLN A 17 -10.041 -6.168 1.656 1.00 0.64 C ATOM 257 O GLN A 17 -11.171 -6.417 2.079 1.00 0.95 O ATOM 258 CB GLN A 17 -9.161 -8.117 3.022 1.00 0.74 C ATOM 259 CG GLN A 17 -10.042 -9.168 2.362 1.00 1.07 C ATOM 260 CD GLN A 17 -10.321 -10.340 3.282 1.00 1.26 C ATOM 261 OE1 GLN A 17 -10.753 -10.157 4.419 1.00 1.81 O ATOM 262 NE2 GLN A 17 -10.098 -11.550 2.794 1.00 1.63 N ATOM 0 H GLN A 17 -8.364 -5.546 3.630 1.00 0.59 H new ATOM 0 HA GLN A 17 -8.307 -7.341 1.246 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -8.237 -8.591 3.352 1.00 0.74 H new ATOM 0 HB3 GLN A 17 -9.665 -7.746 3.914 1.00 0.74 H new ATOM 0 HG2 GLN A 17 -10.985 -8.712 2.061 1.00 1.07 H new ATOM 0 HG3 GLN A 17 -9.558 -9.528 1.454 1.00 1.07 H new ATOM 0 HE21 GLN A 17 -9.739 -11.659 1.845 1.00 1.63 H new ATOM 0 HE22 GLN A 17 -10.285 -12.373 3.366 1.00 1.63 H new ATOM 271 N VAL A 18 -9.772 -5.188 0.824 1.00 0.51 N ATOM 272 CA VAL A 18 -10.768 -4.293 0.299 1.00 0.59 C ATOM 273 C VAL A 18 -11.222 -4.728 -1.109 1.00 0.60 C ATOM 274 O VAL A 18 -10.996 -5.866 -1.520 1.00 1.04 O ATOM 275 CB VAL A 18 -10.136 -2.884 0.297 1.00 0.83 C ATOM 276 CG1 VAL A 18 -8.927 -2.865 -0.624 1.00 0.84 C ATOM 277 CG2 VAL A 18 -11.130 -1.774 -0.025 1.00 1.24 C ATOM 0 H VAL A 18 -8.830 -4.989 0.488 1.00 0.51 H new ATOM 0 HA VAL A 18 -11.669 -4.302 0.912 1.00 0.59 H new ATOM 0 HB VAL A 18 -9.805 -2.670 1.313 1.00 0.83 H new ATOM 0 HG11 VAL A 18 -8.484 -1.869 -0.623 1.00 0.84 H new ATOM 0 HG12 VAL A 18 -8.192 -3.590 -0.274 1.00 0.84 H new ATOM 0 HG13 VAL A 18 -9.237 -3.123 -1.637 1.00 0.84 H new ATOM 0 HG21 VAL A 18 -10.618 -0.812 -0.009 1.00 1.24 H new ATOM 0 HG22 VAL A 18 -11.556 -1.942 -1.014 1.00 1.24 H new ATOM 0 HG23 VAL A 18 -11.928 -1.773 0.718 1.00 1.24 H new ATOM 287 N TRP A 19 -11.865 -3.817 -1.822 1.00 0.63 N ATOM 288 CA TRP A 19 -12.385 -4.052 -3.152 1.00 0.65 C ATOM 289 C TRP A 19 -11.505 -3.404 -4.232 1.00 0.68 C ATOM 290 O TRP A 19 -10.673 -2.535 -3.946 1.00 1.04 O ATOM 291 CB TRP A 19 -13.781 -3.432 -3.225 1.00 0.72 C ATOM 292 CG TRP A 19 -14.705 -3.878 -2.124 1.00 0.75 C ATOM 293 CD1 TRP A 19 -15.485 -5.000 -2.126 1.00 0.83 C ATOM 294 CD2 TRP A 19 -14.930 -3.233 -0.849 1.00 0.78 C ATOM 295 NE1 TRP A 19 -16.202 -5.081 -0.957 1.00 0.90 N ATOM 296 CE2 TRP A 19 -15.878 -4.017 -0.157 1.00 0.87 C ATOM 297 CE3 TRP A 19 -14.434 -2.072 -0.221 1.00 0.79 C ATOM 298 CZ2 TRP A 19 -16.341 -3.681 1.113 1.00 0.95 C ATOM 299 CZ3 TRP A 19 -14.897 -1.750 1.039 1.00 0.89 C ATOM 300 CH2 TRP A 19 -15.841 -2.549 1.694 1.00 0.96 C ATOM 0 H TRP A 19 -12.042 -2.872 -1.480 1.00 0.63 H new ATOM 0 HA TRP A 19 -12.406 -5.126 -3.335 1.00 0.65 H new ATOM 0 HB2 TRP A 19 -13.688 -2.347 -3.190 1.00 0.72 H new ATOM 0 HB3 TRP A 19 -14.229 -3.683 -4.186 1.00 0.72 H new ATOM 0 HD1 TRP A 19 -15.531 -5.719 -2.930 1.00 0.83 H new ATOM 0 HE1 TRP A 19 -16.869 -5.816 -0.722 1.00 0.90 H new ATOM 0 HE3 TRP A 19 -13.706 -1.447 -0.716 1.00 0.79 H new ATOM 0 HZ2 TRP A 19 -17.070 -4.294 1.622 1.00 0.95 H new ATOM 0 HZ3 TRP A 19 -14.523 -0.863 1.529 1.00 0.89 H new ATOM 0 HH2 TRP A 19 -16.182 -2.265 2.679 1.00 0.96 H new ATOM 311 N GLU A 20 -11.728 -3.815 -5.467 1.00 0.69 N ATOM 312 CA GLU A 20 -11.021 -3.275 -6.623 1.00 0.77 C ATOM 313 C GLU A 20 -12.106 -2.814 -7.589 1.00 1.18 C ATOM 314 O GLU A 20 -13.222 -3.324 -7.496 1.00 1.81 O ATOM 315 CB GLU A 20 -10.126 -4.346 -7.272 1.00 1.04 C ATOM 316 CG GLU A 20 -8.807 -3.833 -7.872 1.00 1.26 C ATOM 317 CD GLU A 20 -8.994 -2.928 -9.081 1.00 1.90 C ATOM 318 OE1 GLU A 20 -9.255 -1.724 -8.887 1.00 2.42 O ATOM 319 OE2 GLU A 20 -8.901 -3.415 -10.233 1.00 2.62 O ATOM 0 H GLU A 20 -12.409 -4.538 -5.702 1.00 0.69 H new ATOM 0 HA GLU A 20 -10.361 -2.455 -6.341 1.00 0.77 H new ATOM 0 HB2 GLU A 20 -9.894 -5.103 -6.523 1.00 1.04 H new ATOM 0 HB3 GLU A 20 -10.695 -4.841 -8.059 1.00 1.04 H new ATOM 0 HG2 GLU A 20 -8.257 -3.289 -7.104 1.00 1.26 H new ATOM 0 HG3 GLU A 20 -8.193 -4.687 -8.160 1.00 1.26 H new ATOM 326 N GLY A 21 -11.782 -1.858 -8.464 1.00 1.49 N ATOM 327 CA GLY A 21 -12.726 -1.295 -9.444 1.00 1.95 C ATOM 328 C GLY A 21 -13.963 -2.117 -9.693 1.00 2.05 C ATOM 329 O GLY A 21 -14.979 -1.955 -9.014 1.00 2.48 O ATOM 0 H GLY A 21 -10.850 -1.447 -8.516 1.00 1.49 H new ATOM 0 HA2 GLY A 21 -13.030 -0.305 -9.103 1.00 1.95 H new ATOM 0 HA3 GLY A 21 -12.203 -1.160 -10.391 1.00 1.95 H new ATOM 333 N ASP A 22 -13.871 -3.023 -10.645 1.00 2.34 N ATOM 334 CA ASP A 22 -14.977 -3.908 -10.965 1.00 2.75 C ATOM 335 C ASP A 22 -14.543 -5.324 -10.644 1.00 2.43 C ATOM 336 O ASP A 22 -14.830 -6.280 -11.370 1.00 2.85 O ATOM 337 CB ASP A 22 -15.383 -3.778 -12.435 1.00 3.62 C ATOM 338 CG ASP A 22 -16.733 -4.413 -12.724 1.00 4.19 C ATOM 339 OD1 ASP A 22 -17.409 -4.854 -11.768 1.00 4.60 O ATOM 340 OD2 ASP A 22 -17.130 -4.468 -13.908 1.00 4.65 O ATOM 0 H ASP A 22 -13.037 -3.168 -11.215 1.00 2.34 H new ATOM 0 HA ASP A 22 -15.853 -3.639 -10.374 1.00 2.75 H new ATOM 0 HB2 ASP A 22 -15.415 -2.723 -12.708 1.00 3.62 H new ATOM 0 HB3 ASP A 22 -14.623 -4.246 -13.061 1.00 3.62 H new ATOM 345 N GLU A 23 -13.833 -5.435 -9.533 1.00 2.07 N ATOM 346 CA GLU A 23 -13.323 -6.711 -9.056 1.00 2.37 C ATOM 347 C GLU A 23 -13.822 -6.974 -7.643 1.00 1.70 C ATOM 348 O GLU A 23 -14.041 -6.035 -6.873 1.00 1.86 O ATOM 349 CB GLU A 23 -11.793 -6.699 -9.050 1.00 3.34 C ATOM 350 CG GLU A 23 -11.166 -6.545 -10.422 1.00 4.22 C ATOM 351 CD GLU A 23 -10.926 -7.869 -11.106 1.00 5.12 C ATOM 352 OE1 GLU A 23 -11.902 -8.620 -11.336 1.00 5.78 O ATOM 353 OE2 GLU A 23 -9.755 -8.171 -11.420 1.00 5.52 O ATOM 0 H GLU A 23 -13.594 -4.643 -8.936 1.00 2.07 H new ATOM 0 HA GLU A 23 -13.678 -7.497 -9.723 1.00 2.37 H new ATOM 0 HB2 GLU A 23 -11.450 -5.884 -8.413 1.00 3.34 H new ATOM 0 HB3 GLU A 23 -11.436 -7.626 -8.602 1.00 3.34 H new ATOM 0 HG2 GLU A 23 -11.815 -5.931 -11.046 1.00 4.22 H new ATOM 0 HG3 GLU A 23 -10.219 -6.013 -10.326 1.00 4.22 H new ATOM 360 N PRO A 24 -13.991 -8.246 -7.263 1.00 1.42 N ATOM 361 CA PRO A 24 -14.440 -8.602 -5.921 1.00 1.17 C ATOM 362 C PRO A 24 -13.355 -8.309 -4.884 1.00 0.97 C ATOM 363 O PRO A 24 -12.192 -8.099 -5.244 1.00 1.08 O ATOM 364 CB PRO A 24 -14.718 -10.109 -5.999 1.00 1.65 C ATOM 365 CG PRO A 24 -14.540 -10.506 -7.429 1.00 2.09 C ATOM 366 CD PRO A 24 -13.734 -9.428 -8.092 1.00 2.00 C ATOM 0 HA PRO A 24 -15.316 -8.030 -5.615 1.00 1.17 H new ATOM 0 HB2 PRO A 24 -14.034 -10.662 -5.356 1.00 1.65 H new ATOM 0 HB3 PRO A 24 -15.728 -10.334 -5.658 1.00 1.65 H new ATOM 0 HG2 PRO A 24 -14.030 -11.467 -7.501 1.00 2.09 H new ATOM 0 HG3 PRO A 24 -15.507 -10.621 -7.920 1.00 2.09 H new ATOM 0 HD2 PRO A 24 -12.673 -9.678 -8.116 1.00 2.00 H new ATOM 0 HD3 PRO A 24 -14.048 -9.270 -9.124 1.00 2.00 H new ATOM 374 N PRO A 25 -13.702 -8.288 -3.584 1.00 0.88 N ATOM 375 CA PRO A 25 -12.731 -8.018 -2.522 1.00 0.77 C ATOM 376 C PRO A 25 -11.630 -9.070 -2.485 1.00 0.74 C ATOM 377 O PRO A 25 -11.888 -10.255 -2.722 1.00 0.92 O ATOM 378 CB PRO A 25 -13.569 -8.061 -1.240 1.00 0.92 C ATOM 379 CG PRO A 25 -14.777 -8.856 -1.605 1.00 1.08 C ATOM 380 CD PRO A 25 -15.049 -8.523 -3.044 1.00 1.09 C ATOM 0 HA PRO A 25 -12.218 -7.067 -2.665 1.00 0.77 H new ATOM 0 HB2 PRO A 25 -13.019 -8.528 -0.423 1.00 0.92 H new ATOM 0 HB3 PRO A 25 -13.840 -7.058 -0.910 1.00 0.92 H new ATOM 0 HG2 PRO A 25 -14.600 -9.924 -1.475 1.00 1.08 H new ATOM 0 HG3 PRO A 25 -15.626 -8.595 -0.973 1.00 1.08 H new ATOM 0 HD2 PRO A 25 -15.555 -9.339 -3.560 1.00 1.09 H new ATOM 0 HD3 PRO A 25 -15.684 -7.642 -3.142 1.00 1.09 H new ATOM 388 N LYS A 26 -10.408 -8.632 -2.196 1.00 0.65 N ATOM 389 CA LYS A 26 -9.257 -9.532 -2.134 1.00 0.73 C ATOM 390 C LYS A 26 -8.276 -9.075 -1.060 1.00 0.66 C ATOM 391 O LYS A 26 -8.188 -7.883 -0.753 1.00 0.88 O ATOM 392 CB LYS A 26 -8.532 -9.598 -3.487 1.00 0.95 C ATOM 393 CG LYS A 26 -9.431 -9.936 -4.664 1.00 1.34 C ATOM 394 CD LYS A 26 -8.634 -10.119 -5.943 1.00 1.42 C ATOM 395 CE LYS A 26 -9.544 -10.198 -7.161 1.00 1.61 C ATOM 396 NZ LYS A 26 -10.455 -11.374 -7.110 1.00 2.20 N ATOM 0 H LYS A 26 -10.187 -7.656 -2.000 1.00 0.65 H new ATOM 0 HA LYS A 26 -9.631 -10.525 -1.885 1.00 0.73 H new ATOM 0 HB2 LYS A 26 -8.052 -8.638 -3.676 1.00 0.95 H new ATOM 0 HB3 LYS A 26 -7.739 -10.344 -3.425 1.00 0.95 H new ATOM 0 HG2 LYS A 26 -9.987 -10.848 -4.448 1.00 1.34 H new ATOM 0 HG3 LYS A 26 -10.164 -9.141 -4.802 1.00 1.34 H new ATOM 0 HD2 LYS A 26 -7.938 -9.289 -6.061 1.00 1.42 H new ATOM 0 HD3 LYS A 26 -8.037 -11.028 -5.874 1.00 1.42 H new ATOM 0 HE2 LYS A 26 -10.136 -9.285 -7.229 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -8.935 -10.252 -8.064 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -10.546 -11.784 -8.061 1.00 2.20 H new ATOM 0 HZ2 LYS A 26 -10.065 -12.087 -6.461 1.00 2.20 H new ATOM 0 HZ3 LYS A 26 -11.391 -11.073 -6.772 1.00 2.20 H new ATOM 410 N LEU A 27 -7.539 -10.029 -0.502 1.00 0.67 N ATOM 411 CA LEU A 27 -6.558 -9.754 0.541 1.00 0.65 C ATOM 412 C LEU A 27 -5.249 -9.263 -0.072 1.00 0.67 C ATOM 413 O LEU A 27 -4.312 -10.028 -0.272 1.00 1.02 O ATOM 414 CB LEU A 27 -6.323 -11.021 1.374 1.00 0.76 C ATOM 415 CG LEU A 27 -5.300 -10.891 2.503 1.00 0.93 C ATOM 416 CD1 LEU A 27 -5.653 -9.733 3.419 1.00 1.31 C ATOM 417 CD2 LEU A 27 -5.217 -12.186 3.297 1.00 1.23 C ATOM 0 H LEU A 27 -7.605 -11.014 -0.760 1.00 0.67 H new ATOM 0 HA LEU A 27 -6.941 -8.968 1.192 1.00 0.65 H new ATOM 0 HB2 LEU A 27 -7.275 -11.332 1.805 1.00 0.76 H new ATOM 0 HB3 LEU A 27 -6.000 -11.819 0.705 1.00 0.76 H new ATOM 0 HG LEU A 27 -4.325 -10.691 2.058 1.00 0.93 H new ATOM 0 HD11 LEU A 27 -4.912 -9.659 4.215 1.00 1.31 H new ATOM 0 HD12 LEU A 27 -5.663 -8.806 2.846 1.00 1.31 H new ATOM 0 HD13 LEU A 27 -6.638 -9.901 3.855 1.00 1.31 H new ATOM 0 HD21 LEU A 27 -4.484 -12.076 4.097 1.00 1.23 H new ATOM 0 HD22 LEU A 27 -6.193 -12.412 3.727 1.00 1.23 H new ATOM 0 HD23 LEU A 27 -4.914 -12.999 2.637 1.00 1.23 H new ATOM 429 N ARG A 28 -5.192 -7.982 -0.370 1.00 0.57 N ATOM 430 CA ARG A 28 -4.007 -7.397 -0.964 1.00 0.59 C ATOM 431 C ARG A 28 -3.051 -6.890 0.104 1.00 0.55 C ATOM 432 O ARG A 28 -3.360 -5.961 0.849 1.00 0.64 O ATOM 433 CB ARG A 28 -4.396 -6.270 -1.928 1.00 0.71 C ATOM 434 CG ARG A 28 -5.344 -5.238 -1.333 1.00 1.41 C ATOM 435 CD ARG A 28 -6.095 -4.489 -2.420 1.00 1.72 C ATOM 436 NE ARG A 28 -6.873 -5.400 -3.259 1.00 1.97 N ATOM 437 CZ ARG A 28 -7.629 -5.015 -4.286 1.00 2.42 C ATOM 438 NH1 ARG A 28 -7.779 -3.729 -4.566 1.00 2.77 N ATOM 439 NH2 ARG A 28 -8.266 -5.925 -5.012 1.00 3.18 N ATOM 0 H ARG A 28 -5.955 -7.324 -0.210 1.00 0.57 H new ATOM 0 HA ARG A 28 -3.490 -8.173 -1.529 1.00 0.59 H new ATOM 0 HB2 ARG A 28 -3.490 -5.764 -2.262 1.00 0.71 H new ATOM 0 HB3 ARG A 28 -4.861 -6.707 -2.811 1.00 0.71 H new ATOM 0 HG2 ARG A 28 -6.055 -5.733 -0.671 1.00 1.41 H new ATOM 0 HG3 ARG A 28 -4.780 -4.531 -0.724 1.00 1.41 H new ATOM 0 HD2 ARG A 28 -6.760 -3.755 -1.965 1.00 1.72 H new ATOM 0 HD3 ARG A 28 -5.387 -3.938 -3.039 1.00 1.72 H new ATOM 0 HE ARG A 28 -6.834 -6.396 -3.043 1.00 1.97 H new ATOM 0 HH11 ARG A 28 -7.314 -3.025 -3.993 1.00 2.77 H new ATOM 0 HH12 ARG A 28 -8.360 -3.443 -5.354 1.00 2.77 H new ATOM 0 HH21 ARG A 28 -8.176 -6.915 -4.783 1.00 3.18 H new ATOM 0 HH22 ARG A 28 -8.846 -5.635 -5.799 1.00 3.18 H new ATOM 453 N TYR A 29 -1.880 -7.500 0.164 1.00 0.55 N ATOM 454 CA TYR A 29 -0.863 -7.100 1.121 1.00 0.59 C ATOM 455 C TYR A 29 -0.192 -5.825 0.633 1.00 0.55 C ATOM 456 O TYR A 29 0.615 -5.841 -0.294 1.00 0.70 O ATOM 457 CB TYR A 29 0.147 -8.224 1.341 1.00 0.71 C ATOM 458 CG TYR A 29 -0.274 -9.192 2.426 1.00 0.77 C ATOM 459 CD1 TYR A 29 -1.516 -9.815 2.386 1.00 1.38 C ATOM 460 CD2 TYR A 29 0.566 -9.472 3.494 1.00 1.46 C ATOM 461 CE1 TYR A 29 -1.908 -10.694 3.379 1.00 1.55 C ATOM 462 CE2 TYR A 29 0.186 -10.351 4.490 1.00 1.63 C ATOM 463 CZ TYR A 29 -1.052 -10.960 4.429 1.00 1.26 C ATOM 464 OH TYR A 29 -1.437 -11.834 5.426 1.00 1.58 O ATOM 0 H TYR A 29 -1.609 -8.276 -0.440 1.00 0.55 H new ATOM 0 HA TYR A 29 -1.328 -6.900 2.086 1.00 0.59 H new ATOM 0 HB2 TYR A 29 0.284 -8.770 0.408 1.00 0.71 H new ATOM 0 HB3 TYR A 29 1.113 -7.791 1.602 1.00 0.71 H new ATOM 0 HD1 TYR A 29 -2.187 -9.609 1.565 1.00 1.38 H new ATOM 0 HD2 TYR A 29 1.533 -8.995 3.548 1.00 1.46 H new ATOM 0 HE1 TYR A 29 -2.877 -11.169 3.333 1.00 1.55 H new ATOM 0 HE2 TYR A 29 0.854 -10.561 5.312 1.00 1.63 H new ATOM 0 HH TYR A 29 -0.719 -11.911 6.089 1.00 1.58 H new ATOM 474 N VAL A 30 -0.589 -4.728 1.246 1.00 0.48 N ATOM 475 CA VAL A 30 -0.103 -3.410 0.886 1.00 0.48 C ATOM 476 C VAL A 30 1.189 -3.043 1.605 1.00 0.49 C ATOM 477 O VAL A 30 1.190 -2.690 2.785 1.00 0.59 O ATOM 478 CB VAL A 30 -1.172 -2.332 1.183 1.00 0.54 C ATOM 479 CG1 VAL A 30 -0.687 -0.956 0.751 1.00 0.60 C ATOM 480 CG2 VAL A 30 -2.489 -2.669 0.495 1.00 0.65 C ATOM 0 H VAL A 30 -1.262 -4.725 2.013 1.00 0.48 H new ATOM 0 HA VAL A 30 0.106 -3.444 -0.183 1.00 0.48 H new ATOM 0 HB VAL A 30 -1.341 -2.316 2.260 1.00 0.54 H new ATOM 0 HG11 VAL A 30 -1.455 -0.214 0.970 1.00 0.60 H new ATOM 0 HG12 VAL A 30 0.225 -0.705 1.293 1.00 0.60 H new ATOM 0 HG13 VAL A 30 -0.483 -0.962 -0.320 1.00 0.60 H new ATOM 0 HG21 VAL A 30 -3.225 -1.896 0.719 1.00 0.65 H new ATOM 0 HG22 VAL A 30 -2.334 -2.721 -0.583 1.00 0.65 H new ATOM 0 HG23 VAL A 30 -2.852 -3.631 0.856 1.00 0.65 H new ATOM 490 N PHE A 31 2.281 -3.074 0.867 1.00 0.49 N ATOM 491 CA PHE A 31 3.574 -2.683 1.393 1.00 0.54 C ATOM 492 C PHE A 31 3.948 -1.386 0.710 1.00 0.52 C ATOM 493 O PHE A 31 3.950 -1.320 -0.518 1.00 0.56 O ATOM 494 CB PHE A 31 4.662 -3.725 1.115 1.00 0.61 C ATOM 495 CG PHE A 31 4.384 -5.094 1.662 1.00 0.61 C ATOM 496 CD1 PHE A 31 3.566 -5.968 0.978 1.00 1.22 C ATOM 497 CD2 PHE A 31 4.949 -5.502 2.856 1.00 1.44 C ATOM 498 CE1 PHE A 31 3.311 -7.228 1.471 1.00 1.30 C ATOM 499 CE2 PHE A 31 4.699 -6.764 3.363 1.00 1.49 C ATOM 500 CZ PHE A 31 3.878 -7.630 2.669 1.00 0.85 C ATOM 0 H PHE A 31 2.298 -3.369 -0.109 1.00 0.49 H new ATOM 0 HA PHE A 31 3.503 -2.582 2.476 1.00 0.54 H new ATOM 0 HB2 PHE A 31 4.802 -3.803 0.037 1.00 0.61 H new ATOM 0 HB3 PHE A 31 5.602 -3.367 1.534 1.00 0.61 H new ATOM 0 HD1 PHE A 31 3.120 -5.660 0.044 1.00 1.22 H new ATOM 0 HD2 PHE A 31 5.593 -4.827 3.399 1.00 1.44 H new ATOM 0 HE1 PHE A 31 2.669 -7.903 0.924 1.00 1.30 H new ATOM 0 HE2 PHE A 31 5.144 -7.071 4.298 1.00 1.49 H new ATOM 0 HZ PHE A 31 3.679 -8.617 3.059 1.00 0.85 H new ATOM 510 N LEU A 32 4.276 -0.353 1.464 1.00 0.57 N ATOM 511 CA LEU A 32 4.648 0.903 0.846 1.00 0.59 C ATOM 512 C LEU A 32 6.055 1.266 1.240 1.00 0.67 C ATOM 513 O LEU A 32 6.303 1.873 2.286 1.00 0.84 O ATOM 514 CB LEU A 32 3.718 2.040 1.227 1.00 0.74 C ATOM 515 CG LEU A 32 2.224 1.702 1.342 1.00 0.98 C ATOM 516 CD1 LEU A 32 1.423 2.937 1.715 1.00 1.10 C ATOM 517 CD2 LEU A 32 1.716 1.141 0.036 1.00 1.43 C ATOM 0 H LEU A 32 4.292 -0.358 2.484 1.00 0.57 H new ATOM 0 HA LEU A 32 4.574 0.762 -0.232 1.00 0.59 H new ATOM 0 HB2 LEU A 32 4.050 2.445 2.183 1.00 0.74 H new ATOM 0 HB3 LEU A 32 3.831 2.834 0.489 1.00 0.74 H new ATOM 0 HG LEU A 32 2.101 0.955 2.126 1.00 0.98 H new ATOM 0 HD11 LEU A 32 0.367 2.677 1.791 1.00 1.10 H new ATOM 0 HD12 LEU A 32 1.772 3.321 2.673 1.00 1.10 H new ATOM 0 HD13 LEU A 32 1.554 3.701 0.948 1.00 1.10 H new ATOM 0 HD21 LEU A 32 0.656 0.905 0.129 1.00 1.43 H new ATOM 0 HD22 LEU A 32 1.856 1.878 -0.755 1.00 1.43 H new ATOM 0 HD23 LEU A 32 2.269 0.235 -0.210 1.00 1.43 H new ATOM 529 N PHE A 33 6.959 0.889 0.384 1.00 0.75 N ATOM 530 CA PHE A 33 8.369 1.144 0.578 1.00 0.96 C ATOM 531 C PHE A 33 8.940 1.793 -0.675 1.00 1.08 C ATOM 532 O PHE A 33 8.216 1.972 -1.659 1.00 1.56 O ATOM 533 CB PHE A 33 9.126 -0.162 0.866 1.00 1.17 C ATOM 534 CG PHE A 33 8.901 -0.753 2.231 1.00 1.36 C ATOM 535 CD1 PHE A 33 8.363 -0.002 3.258 1.00 2.01 C ATOM 536 CD2 PHE A 33 9.254 -2.069 2.482 1.00 1.79 C ATOM 537 CE1 PHE A 33 8.170 -0.550 4.510 1.00 2.28 C ATOM 538 CE2 PHE A 33 9.067 -2.624 3.732 1.00 2.06 C ATOM 539 CZ PHE A 33 8.523 -1.865 4.748 1.00 2.01 C ATOM 0 H PHE A 33 6.743 0.390 -0.479 1.00 0.75 H new ATOM 0 HA PHE A 33 8.488 1.810 1.433 1.00 0.96 H new ATOM 0 HB2 PHE A 33 8.839 -0.901 0.118 1.00 1.17 H new ATOM 0 HB3 PHE A 33 10.193 0.021 0.740 1.00 1.17 H new ATOM 0 HD1 PHE A 33 8.090 1.027 3.079 1.00 2.01 H new ATOM 0 HD2 PHE A 33 9.680 -2.668 1.691 1.00 1.79 H new ATOM 0 HE1 PHE A 33 7.744 0.048 5.302 1.00 2.28 H new ATOM 0 HE2 PHE A 33 9.346 -3.651 3.915 1.00 2.06 H new ATOM 0 HZ PHE A 33 8.373 -2.297 5.726 1.00 2.01 H new ATOM 549 N ARG A 34 10.232 2.130 -0.634 1.00 1.04 N ATOM 550 CA ARG A 34 10.928 2.755 -1.762 1.00 1.17 C ATOM 551 C ARG A 34 10.247 4.062 -2.157 1.00 1.03 C ATOM 552 O ARG A 34 10.528 5.121 -1.592 1.00 1.87 O ATOM 553 CB ARG A 34 10.974 1.813 -2.971 1.00 1.83 C ATOM 554 CG ARG A 34 11.582 0.454 -2.681 1.00 2.51 C ATOM 555 CD ARG A 34 13.047 0.555 -2.296 1.00 3.05 C ATOM 556 NE ARG A 34 13.605 -0.756 -1.977 1.00 3.66 N ATOM 557 CZ ARG A 34 14.880 -0.964 -1.661 1.00 4.29 C ATOM 558 NH1 ARG A 34 15.789 -0.053 -1.980 1.00 4.48 N ATOM 559 NH2 ARG A 34 15.281 -2.188 -1.343 1.00 5.12 N ATOM 0 H ARG A 34 10.825 1.977 0.182 1.00 1.04 H new ATOM 0 HA ARG A 34 11.949 2.966 -1.444 1.00 1.17 H new ATOM 0 HB2 ARG A 34 9.960 1.672 -3.346 1.00 1.83 H new ATOM 0 HB3 ARG A 34 11.545 2.291 -3.767 1.00 1.83 H new ATOM 0 HG2 ARG A 34 11.028 -0.026 -1.874 1.00 2.51 H new ATOM 0 HG3 ARG A 34 11.482 -0.183 -3.560 1.00 2.51 H new ATOM 0 HD2 ARG A 34 13.610 1.002 -3.115 1.00 3.05 H new ATOM 0 HD3 ARG A 34 13.154 1.217 -1.437 1.00 3.05 H new ATOM 0 HE ARG A 34 12.979 -1.561 -1.998 1.00 3.66 H new ATOM 0 HH11 ARG A 34 15.508 0.800 -2.464 1.00 4.48 H new ATOM 0 HH12 ARG A 34 16.769 -0.205 -1.741 1.00 4.48 H new ATOM 0 HH21 ARG A 34 14.614 -2.959 -1.342 1.00 5.12 H new ATOM 0 HH22 ARG A 34 16.257 -2.358 -1.099 1.00 5.12 H new ATOM 573 N ASN A 35 9.339 3.964 -3.117 1.00 0.98 N ATOM 574 CA ASN A 35 8.578 5.102 -3.605 1.00 1.38 C ATOM 575 C ASN A 35 7.444 4.579 -4.475 1.00 1.09 C ATOM 576 O ASN A 35 7.104 5.157 -5.512 1.00 1.24 O ATOM 577 CB ASN A 35 9.472 6.055 -4.401 1.00 2.08 C ATOM 578 CG ASN A 35 9.000 7.494 -4.318 1.00 2.84 C ATOM 579 OD1 ASN A 35 7.888 7.826 -4.727 1.00 3.26 O ATOM 580 ND2 ASN A 35 9.843 8.362 -3.783 1.00 3.64 N ATOM 0 H ASN A 35 9.109 3.086 -3.582 1.00 0.98 H new ATOM 0 HA ASN A 35 8.174 5.663 -2.763 1.00 1.38 H new ATOM 0 HB2 ASN A 35 10.494 5.988 -4.027 1.00 2.08 H new ATOM 0 HB3 ASN A 35 9.494 5.742 -5.445 1.00 2.08 H new ATOM 0 HD21 ASN A 35 9.579 9.344 -3.699 1.00 3.64 H new ATOM 0 HD22 ASN A 35 10.757 8.050 -3.455 1.00 3.64 H new ATOM 587 N LYS A 36 6.874 3.462 -4.045 1.00 0.89 N ATOM 588 CA LYS A 36 5.786 2.828 -4.771 1.00 0.69 C ATOM 589 C LYS A 36 4.900 2.026 -3.823 1.00 0.66 C ATOM 590 O LYS A 36 5.326 1.656 -2.727 1.00 0.77 O ATOM 591 CB LYS A 36 6.342 1.900 -5.849 1.00 0.80 C ATOM 592 CG LYS A 36 7.246 0.813 -5.295 1.00 1.05 C ATOM 593 CD LYS A 36 7.465 -0.298 -6.307 1.00 1.32 C ATOM 594 CE LYS A 36 8.234 0.182 -7.521 1.00 1.84 C ATOM 595 NZ LYS A 36 8.405 -0.906 -8.512 1.00 2.23 N ATOM 0 H LYS A 36 7.150 2.975 -3.192 1.00 0.89 H new ATOM 0 HA LYS A 36 5.189 3.611 -5.237 1.00 0.69 H new ATOM 0 HB2 LYS A 36 5.513 1.436 -6.383 1.00 0.80 H new ATOM 0 HB3 LYS A 36 6.899 2.491 -6.576 1.00 0.80 H new ATOM 0 HG2 LYS A 36 8.206 1.245 -5.014 1.00 1.05 H new ATOM 0 HG3 LYS A 36 6.805 0.399 -4.388 1.00 1.05 H new ATOM 0 HD2 LYS A 36 8.008 -1.117 -5.835 1.00 1.32 H new ATOM 0 HD3 LYS A 36 6.501 -0.696 -6.623 1.00 1.32 H new ATOM 0 HE2 LYS A 36 7.707 1.017 -7.982 1.00 1.84 H new ATOM 0 HE3 LYS A 36 9.211 0.553 -7.212 1.00 1.84 H new ATOM 0 HZ1 LYS A 36 8.935 -0.548 -9.332 1.00 2.23 H new ATOM 0 HZ2 LYS A 36 8.929 -1.692 -8.077 1.00 2.23 H new ATOM 0 HZ3 LYS A 36 7.471 -1.242 -8.823 1.00 2.23 H new ATOM 609 N ILE A 37 3.689 1.737 -4.263 1.00 0.61 N ATOM 610 CA ILE A 37 2.755 0.953 -3.476 1.00 0.60 C ATOM 611 C ILE A 37 2.746 -0.475 -3.999 1.00 0.54 C ATOM 612 O ILE A 37 2.281 -0.735 -5.109 1.00 0.75 O ATOM 613 CB ILE A 37 1.322 1.538 -3.529 1.00 0.73 C ATOM 614 CG1 ILE A 37 1.270 2.858 -2.769 1.00 0.85 C ATOM 615 CG2 ILE A 37 0.295 0.555 -2.976 1.00 0.79 C ATOM 616 CD1 ILE A 37 -0.073 3.541 -2.817 1.00 1.01 C ATOM 0 H ILE A 37 3.327 2.036 -5.169 1.00 0.61 H new ATOM 0 HA ILE A 37 3.080 0.977 -2.436 1.00 0.60 H new ATOM 0 HB ILE A 37 1.068 1.720 -4.573 1.00 0.73 H new ATOM 0 HG12 ILE A 37 1.537 2.677 -1.728 1.00 0.85 H new ATOM 0 HG13 ILE A 37 2.023 3.531 -3.179 1.00 0.85 H new ATOM 0 HG21 ILE A 37 -0.699 0.999 -3.029 1.00 0.79 H new ATOM 0 HG22 ILE A 37 0.315 -0.362 -3.565 1.00 0.79 H new ATOM 0 HG23 ILE A 37 0.534 0.324 -1.938 1.00 0.79 H new ATOM 0 HD11 ILE A 37 -0.028 4.473 -2.253 1.00 1.01 H new ATOM 0 HD12 ILE A 37 -0.335 3.756 -3.853 1.00 1.01 H new ATOM 0 HD13 ILE A 37 -0.829 2.889 -2.380 1.00 1.01 H new ATOM 628 N MET A 38 3.274 -1.387 -3.208 1.00 0.51 N ATOM 629 CA MET A 38 3.332 -2.783 -3.595 1.00 0.59 C ATOM 630 C MET A 38 2.265 -3.572 -2.860 1.00 0.60 C ATOM 631 O MET A 38 2.491 -4.059 -1.757 1.00 0.98 O ATOM 632 CB MET A 38 4.716 -3.359 -3.300 1.00 0.75 C ATOM 633 CG MET A 38 5.821 -2.735 -4.141 1.00 1.40 C ATOM 634 SD MET A 38 7.458 -3.376 -3.746 1.00 1.72 S ATOM 635 CE MET A 38 7.709 -2.688 -2.112 1.00 2.53 C ATOM 0 H MET A 38 3.671 -1.186 -2.290 1.00 0.51 H new ATOM 0 HA MET A 38 3.148 -2.858 -4.667 1.00 0.59 H new ATOM 0 HB2 MET A 38 4.945 -3.212 -2.245 1.00 0.75 H new ATOM 0 HB3 MET A 38 4.699 -4.435 -3.476 1.00 0.75 H new ATOM 0 HG2 MET A 38 5.612 -2.914 -5.196 1.00 1.40 H new ATOM 0 HG3 MET A 38 5.815 -1.655 -3.994 1.00 1.40 H new ATOM 0 HE1 MET A 38 8.765 -2.749 -1.850 1.00 2.53 H new ATOM 0 HE2 MET A 38 7.393 -1.645 -2.104 1.00 2.53 H new ATOM 0 HE3 MET A 38 7.122 -3.250 -1.386 1.00 2.53 H new ATOM 645 N PHE A 39 1.101 -3.692 -3.472 1.00 0.61 N ATOM 646 CA PHE A 39 0.011 -4.426 -2.857 1.00 0.71 C ATOM 647 C PHE A 39 -0.239 -5.729 -3.609 1.00 0.72 C ATOM 648 O PHE A 39 -0.782 -5.740 -4.712 1.00 1.08 O ATOM 649 CB PHE A 39 -1.270 -3.567 -2.732 1.00 1.11 C ATOM 650 CG PHE A 39 -1.940 -3.158 -4.025 1.00 0.58 C ATOM 651 CD1 PHE A 39 -1.308 -2.324 -4.932 1.00 1.31 C ATOM 652 CD2 PHE A 39 -3.218 -3.613 -4.325 1.00 1.32 C ATOM 653 CE1 PHE A 39 -1.933 -1.955 -6.111 1.00 1.69 C ATOM 654 CE2 PHE A 39 -3.850 -3.244 -5.503 1.00 1.66 C ATOM 655 CZ PHE A 39 -3.204 -2.415 -6.396 1.00 1.57 C ATOM 0 H PHE A 39 0.887 -3.294 -4.387 1.00 0.61 H new ATOM 0 HA PHE A 39 0.304 -4.678 -1.838 1.00 0.71 H new ATOM 0 HB2 PHE A 39 -1.994 -4.120 -2.133 1.00 1.11 H new ATOM 0 HB3 PHE A 39 -1.021 -2.663 -2.176 1.00 1.11 H new ATOM 0 HD1 PHE A 39 -0.315 -1.957 -4.717 1.00 1.31 H new ATOM 0 HD2 PHE A 39 -3.727 -4.264 -3.630 1.00 1.32 H new ATOM 0 HE1 PHE A 39 -1.426 -1.306 -6.809 1.00 1.69 H new ATOM 0 HE2 PHE A 39 -4.845 -3.605 -5.720 1.00 1.66 H new ATOM 0 HZ PHE A 39 -3.691 -2.126 -7.316 1.00 1.57 H new ATOM 665 N THR A 40 0.188 -6.831 -3.005 1.00 0.63 N ATOM 666 CA THR A 40 0.031 -8.145 -3.610 1.00 0.74 C ATOM 667 C THR A 40 -1.309 -8.757 -3.216 1.00 0.84 C ATOM 668 O THR A 40 -1.537 -9.097 -2.051 1.00 1.16 O ATOM 669 CB THR A 40 1.204 -9.048 -3.212 1.00 0.98 C ATOM 670 OG1 THR A 40 1.413 -9.034 -1.804 1.00 1.45 O ATOM 671 CG2 THR A 40 2.499 -8.639 -3.878 1.00 1.35 C ATOM 0 H THR A 40 0.647 -6.839 -2.094 1.00 0.63 H new ATOM 0 HA THR A 40 0.038 -8.043 -4.695 1.00 0.74 H new ATOM 0 HB THR A 40 0.930 -10.049 -3.545 1.00 0.98 H new ATOM 0 HG1 THR A 40 2.166 -9.620 -1.579 1.00 1.45 H new ATOM 0 HG21 THR A 40 3.298 -9.310 -3.563 1.00 1.35 H new ATOM 0 HG22 THR A 40 2.385 -8.694 -4.961 1.00 1.35 H new ATOM 0 HG23 THR A 40 2.749 -7.618 -3.591 1.00 1.35 H new ATOM 679 N GLU A 41 -2.205 -8.855 -4.183 1.00 1.04 N ATOM 680 CA GLU A 41 -3.540 -9.379 -3.945 1.00 1.27 C ATOM 681 C GLU A 41 -3.555 -10.891 -3.748 1.00 1.20 C ATOM 682 O GLU A 41 -3.423 -11.663 -4.696 1.00 1.66 O ATOM 683 CB GLU A 41 -4.456 -8.991 -5.096 1.00 1.89 C ATOM 684 CG GLU A 41 -4.574 -7.490 -5.271 1.00 2.55 C ATOM 685 CD GLU A 41 -5.426 -7.106 -6.456 1.00 3.05 C ATOM 686 OE1 GLU A 41 -6.635 -7.406 -6.435 1.00 3.56 O ATOM 687 OE2 GLU A 41 -4.891 -6.508 -7.412 1.00 3.46 O ATOM 0 H GLU A 41 -2.030 -8.576 -5.148 1.00 1.04 H new ATOM 0 HA GLU A 41 -3.900 -8.937 -3.016 1.00 1.27 H new ATOM 0 HB2 GLU A 41 -4.079 -9.431 -6.019 1.00 1.89 H new ATOM 0 HB3 GLU A 41 -5.447 -9.411 -4.924 1.00 1.89 H new ATOM 0 HG2 GLU A 41 -5.000 -7.055 -4.367 1.00 2.55 H new ATOM 0 HG3 GLU A 41 -3.578 -7.063 -5.391 1.00 2.55 H new ATOM 694 N GLN A 42 -3.761 -11.295 -2.507 1.00 1.08 N ATOM 695 CA GLN A 42 -3.852 -12.701 -2.153 1.00 1.24 C ATOM 696 C GLN A 42 -5.306 -13.124 -2.310 1.00 1.37 C ATOM 697 O GLN A 42 -6.176 -12.682 -1.556 1.00 1.84 O ATOM 698 CB GLN A 42 -3.363 -12.932 -0.711 1.00 1.58 C ATOM 699 CG GLN A 42 -3.107 -14.396 -0.343 1.00 2.34 C ATOM 700 CD GLN A 42 -4.376 -15.219 -0.187 1.00 2.87 C ATOM 701 OE1 GLN A 42 -5.238 -14.907 0.634 1.00 3.26 O ATOM 702 NE2 GLN A 42 -4.494 -16.279 -0.969 1.00 3.46 N ATOM 0 H GLN A 42 -3.870 -10.659 -1.717 1.00 1.08 H new ATOM 0 HA GLN A 42 -3.216 -13.299 -2.806 1.00 1.24 H new ATOM 0 HB2 GLN A 42 -2.442 -12.369 -0.561 1.00 1.58 H new ATOM 0 HB3 GLN A 42 -4.103 -12.524 -0.022 1.00 1.58 H new ATOM 0 HG2 GLN A 42 -2.482 -14.851 -1.112 1.00 2.34 H new ATOM 0 HG3 GLN A 42 -2.543 -14.434 0.589 1.00 2.34 H new ATOM 0 HE21 GLN A 42 -3.757 -16.504 -1.637 1.00 3.46 H new ATOM 0 HE22 GLN A 42 -5.322 -16.871 -0.904 1.00 3.46 H new ATOM 711 N ASP A 43 -5.574 -13.951 -3.302 1.00 1.32 N ATOM 712 CA ASP A 43 -6.936 -14.403 -3.558 1.00 1.60 C ATOM 713 C ASP A 43 -7.039 -15.906 -3.328 1.00 1.62 C ATOM 714 O ASP A 43 -6.040 -16.619 -3.426 1.00 1.97 O ATOM 715 CB ASP A 43 -7.344 -14.039 -4.985 1.00 2.08 C ATOM 716 CG ASP A 43 -8.847 -13.916 -5.157 1.00 2.50 C ATOM 717 OD1 ASP A 43 -9.589 -14.134 -4.178 1.00 2.87 O ATOM 718 OD2 ASP A 43 -9.287 -13.580 -6.276 1.00 2.96 O ATOM 0 H ASP A 43 -4.874 -14.324 -3.943 1.00 1.32 H new ATOM 0 HA ASP A 43 -7.617 -13.905 -2.868 1.00 1.60 H new ATOM 0 HB2 ASP A 43 -6.873 -13.096 -5.263 1.00 2.08 H new ATOM 0 HB3 ASP A 43 -6.966 -14.798 -5.670 1.00 2.08 H new ATOM 723 N ALA A 44 -8.231 -16.380 -3.005 1.00 1.87 N ATOM 724 CA ALA A 44 -8.436 -17.798 -2.744 1.00 2.28 C ATOM 725 C ALA A 44 -8.829 -18.558 -4.010 1.00 2.75 C ATOM 726 O ALA A 44 -7.980 -19.176 -4.650 1.00 3.39 O ATOM 727 CB ALA A 44 -9.472 -17.985 -1.645 1.00 2.82 C ATOM 0 H ALA A 44 -9.070 -15.807 -2.917 1.00 1.87 H new ATOM 0 HA ALA A 44 -7.489 -18.218 -2.405 1.00 2.28 H new ATOM 0 HB1 ALA A 44 -9.617 -19.049 -1.459 1.00 2.82 H new ATOM 0 HB2 ALA A 44 -9.125 -17.501 -0.732 1.00 2.82 H new ATOM 0 HB3 ALA A 44 -10.417 -17.539 -1.956 1.00 2.82 H new ATOM 861 N TYR A 54 4.089 -8.812 -8.594 1.00 2.10 N ATOM 862 CA TYR A 54 4.108 -7.663 -7.696 1.00 2.00 C ATOM 863 C TYR A 54 3.447 -6.455 -8.351 1.00 1.62 C ATOM 864 O TYR A 54 3.960 -5.915 -9.331 1.00 1.96 O ATOM 865 CB TYR A 54 5.549 -7.299 -7.302 1.00 2.78 C ATOM 866 CG TYR A 54 6.295 -8.390 -6.561 1.00 3.45 C ATOM 867 CD1 TYR A 54 5.876 -8.820 -5.307 1.00 3.89 C ATOM 868 CD2 TYR A 54 7.419 -8.992 -7.119 1.00 4.24 C ATOM 869 CE1 TYR A 54 6.555 -9.817 -4.631 1.00 4.87 C ATOM 870 CE2 TYR A 54 8.103 -9.989 -6.446 1.00 5.15 C ATOM 871 CZ TYR A 54 7.668 -10.397 -5.204 1.00 5.40 C ATOM 872 OH TYR A 54 8.347 -11.392 -4.532 1.00 6.50 O ATOM 0 HA TYR A 54 3.551 -7.937 -6.800 1.00 2.00 H new ATOM 0 HB2 TYR A 54 6.105 -7.045 -8.204 1.00 2.78 H new ATOM 0 HB3 TYR A 54 5.527 -6.405 -6.679 1.00 2.78 H new ATOM 0 HD1 TYR A 54 5.006 -8.368 -4.854 1.00 3.89 H new ATOM 0 HD2 TYR A 54 7.763 -8.676 -8.093 1.00 4.24 H new ATOM 0 HE1 TYR A 54 6.215 -10.140 -3.658 1.00 4.87 H new ATOM 0 HE2 TYR A 54 8.974 -10.445 -6.892 1.00 5.15 H new ATOM 0 HH TYR A 54 9.106 -11.694 -5.074 1.00 6.50 H new ATOM 882 N SER A 55 2.321 -6.025 -7.799 1.00 1.34 N ATOM 883 CA SER A 55 1.618 -4.861 -8.318 1.00 1.50 C ATOM 884 C SER A 55 2.304 -3.601 -7.799 1.00 1.20 C ATOM 885 O SER A 55 2.748 -3.571 -6.648 1.00 1.33 O ATOM 886 CB SER A 55 0.154 -4.879 -7.879 1.00 2.13 C ATOM 887 OG SER A 55 -0.465 -6.118 -8.191 1.00 2.61 O ATOM 0 H SER A 55 1.876 -6.464 -6.993 1.00 1.34 H new ATOM 0 HA SER A 55 1.646 -4.877 -9.408 1.00 1.50 H new ATOM 0 HB2 SER A 55 0.092 -4.700 -6.806 1.00 2.13 H new ATOM 0 HB3 SER A 55 -0.384 -4.068 -8.369 1.00 2.13 H new ATOM 0 HG SER A 55 -1.400 -6.100 -7.897 1.00 2.61 H new ATOM 893 N SER A 56 2.419 -2.577 -8.631 1.00 1.07 N ATOM 894 CA SER A 56 3.086 -1.355 -8.212 1.00 0.91 C ATOM 895 C SER A 56 2.321 -0.097 -8.628 1.00 0.80 C ATOM 896 O SER A 56 1.838 0.013 -9.755 1.00 0.93 O ATOM 897 CB SER A 56 4.497 -1.317 -8.795 1.00 1.09 C ATOM 898 OG SER A 56 5.149 -0.093 -8.502 1.00 1.73 O ATOM 0 H SER A 56 2.064 -2.567 -9.587 1.00 1.07 H new ATOM 0 HA SER A 56 3.126 -1.363 -7.123 1.00 0.91 H new ATOM 0 HB2 SER A 56 5.080 -2.146 -8.393 1.00 1.09 H new ATOM 0 HB3 SER A 56 4.449 -1.455 -9.875 1.00 1.09 H new ATOM 0 HG SER A 56 5.891 0.040 -9.128 1.00 1.73 H new ATOM 904 N ILE A 57 2.251 0.860 -7.710 1.00 0.68 N ATOM 905 CA ILE A 57 1.594 2.142 -7.944 1.00 0.67 C ATOM 906 C ILE A 57 2.551 3.276 -7.592 1.00 0.63 C ATOM 907 O ILE A 57 3.150 3.268 -6.515 1.00 0.81 O ATOM 908 CB ILE A 57 0.306 2.287 -7.110 1.00 0.76 C ATOM 909 CG1 ILE A 57 -0.801 1.408 -7.692 1.00 0.92 C ATOM 910 CG2 ILE A 57 -0.137 3.747 -7.027 1.00 0.82 C ATOM 911 CD1 ILE A 57 -2.139 1.625 -7.029 1.00 0.81 C ATOM 0 H ILE A 57 2.651 0.768 -6.776 1.00 0.68 H new ATOM 0 HA ILE A 57 1.320 2.188 -8.998 1.00 0.67 H new ATOM 0 HB ILE A 57 0.515 1.952 -6.094 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -0.894 1.610 -8.759 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -0.517 0.361 -7.589 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -1.048 3.818 -6.433 1.00 0.82 H new ATOM 0 HG22 ILE A 57 0.649 4.340 -6.559 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -0.328 4.127 -8.031 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -2.882 0.972 -7.487 1.00 0.81 H new ATOM 0 HD12 ILE A 57 -2.060 1.396 -5.966 1.00 0.81 H new ATOM 0 HD13 ILE A 57 -2.443 2.664 -7.154 1.00 0.81 H new ATOM 923 N ARG A 58 2.719 4.225 -8.506 1.00 0.66 N ATOM 924 CA ARG A 58 3.626 5.344 -8.291 1.00 0.73 C ATOM 925 C ARG A 58 3.206 6.160 -7.074 1.00 0.75 C ATOM 926 O ARG A 58 2.041 6.518 -6.933 1.00 0.91 O ATOM 927 CB ARG A 58 3.654 6.248 -9.515 1.00 0.96 C ATOM 928 CG ARG A 58 5.038 6.772 -9.843 1.00 1.24 C ATOM 929 CD ARG A 58 5.053 8.288 -9.957 1.00 1.86 C ATOM 930 NE ARG A 58 6.313 8.796 -10.500 1.00 2.47 N ATOM 931 CZ ARG A 58 7.521 8.553 -9.979 1.00 2.95 C ATOM 932 NH1 ARG A 58 7.648 7.947 -8.802 1.00 3.22 N ATOM 933 NH2 ARG A 58 8.595 9.053 -10.569 1.00 3.70 N ATOM 0 H ARG A 58 2.237 4.241 -9.405 1.00 0.66 H new ATOM 0 HA ARG A 58 4.622 4.936 -8.117 1.00 0.73 H new ATOM 0 HB2 ARG A 58 3.269 5.697 -10.373 1.00 0.96 H new ATOM 0 HB3 ARG A 58 2.984 7.091 -9.350 1.00 0.96 H new ATOM 0 HG2 ARG A 58 5.739 6.458 -9.069 1.00 1.24 H new ATOM 0 HG3 ARG A 58 5.381 6.333 -10.780 1.00 1.24 H new ATOM 0 HD2 ARG A 58 4.230 8.609 -10.595 1.00 1.86 H new ATOM 0 HD3 ARG A 58 4.883 8.725 -8.973 1.00 1.86 H new ATOM 0 HE ARG A 58 6.267 9.378 -11.337 1.00 2.47 H new ATOM 0 HH11 ARG A 58 6.818 7.661 -8.284 1.00 3.22 H new ATOM 0 HH12 ARG A 58 8.576 7.769 -8.418 1.00 3.22 H new ATOM 0 HH21 ARG A 58 8.497 9.618 -11.413 1.00 3.70 H new ATOM 0 HH22 ARG A 58 9.521 8.874 -10.180 1.00 3.70 H new ATOM 947 N LEU A 59 4.164 6.459 -6.215 1.00 0.85 N ATOM 948 CA LEU A 59 3.909 7.243 -5.009 1.00 1.02 C ATOM 949 C LEU A 59 4.371 8.681 -5.197 1.00 1.15 C ATOM 950 O LEU A 59 5.033 9.238 -4.321 1.00 1.59 O ATOM 951 CB LEU A 59 4.650 6.649 -3.804 1.00 1.28 C ATOM 952 CG LEU A 59 3.948 5.516 -3.063 1.00 1.35 C ATOM 953 CD1 LEU A 59 4.833 5.001 -1.945 1.00 1.79 C ATOM 954 CD2 LEU A 59 2.618 5.979 -2.505 1.00 1.35 C ATOM 0 H LEU A 59 5.136 6.170 -6.328 1.00 0.85 H new ATOM 0 HA LEU A 59 2.835 7.220 -4.826 1.00 1.02 H new ATOM 0 HB2 LEU A 59 5.619 6.284 -4.145 1.00 1.28 H new ATOM 0 HB3 LEU A 59 4.844 7.452 -3.093 1.00 1.28 H new ATOM 0 HG LEU A 59 3.759 4.708 -3.770 1.00 1.35 H new ATOM 0 HD11 LEU A 59 4.324 4.192 -1.421 1.00 1.79 H new ATOM 0 HD12 LEU A 59 5.769 4.630 -2.363 1.00 1.79 H new ATOM 0 HD13 LEU A 59 5.044 5.810 -1.246 1.00 1.79 H new ATOM 0 HD21 LEU A 59 2.136 5.154 -1.981 1.00 1.35 H new ATOM 0 HD22 LEU A 59 2.782 6.803 -1.811 1.00 1.35 H new ATOM 0 HD23 LEU A 59 1.978 6.314 -3.321 1.00 1.35 H new ATOM 966 N ASP A 60 4.050 9.292 -6.332 1.00 1.13 N ATOM 967 CA ASP A 60 4.494 10.660 -6.568 1.00 1.33 C ATOM 968 C ASP A 60 3.448 11.528 -7.262 1.00 1.33 C ATOM 969 O ASP A 60 3.291 12.699 -6.920 1.00 1.56 O ATOM 970 CB ASP A 60 5.781 10.658 -7.391 1.00 1.46 C ATOM 971 CG ASP A 60 6.363 12.046 -7.545 1.00 1.90 C ATOM 972 OD1 ASP A 60 5.890 12.812 -8.410 1.00 2.52 O ATOM 973 OD2 ASP A 60 7.286 12.390 -6.779 1.00 2.27 O ATOM 0 H ASP A 60 3.500 8.876 -7.084 1.00 1.13 H new ATOM 0 HA ASP A 60 4.668 11.099 -5.585 1.00 1.33 H new ATOM 0 HB2 ASP A 60 6.515 10.009 -6.913 1.00 1.46 H new ATOM 0 HB3 ASP A 60 5.579 10.239 -8.377 1.00 1.46 H new ATOM 978 N LYS A 61 2.733 10.979 -8.238 1.00 1.22 N ATOM 979 CA LYS A 61 1.730 11.768 -8.955 1.00 1.28 C ATOM 980 C LYS A 61 0.400 11.031 -9.062 1.00 1.06 C ATOM 981 O LYS A 61 -0.199 10.937 -10.132 1.00 1.27 O ATOM 982 CB LYS A 61 2.247 12.158 -10.337 1.00 1.60 C ATOM 983 CG LYS A 61 3.336 13.216 -10.275 1.00 1.93 C ATOM 984 CD LYS A 61 2.777 14.584 -9.921 1.00 2.55 C ATOM 985 CE LYS A 61 3.862 15.518 -9.410 1.00 3.16 C ATOM 986 NZ LYS A 61 4.446 15.034 -8.132 1.00 3.92 N ATOM 0 H LYS A 61 2.823 10.012 -8.548 1.00 1.22 H new ATOM 0 HA LYS A 61 1.551 12.676 -8.380 1.00 1.28 H new ATOM 0 HB2 LYS A 61 2.634 11.272 -10.840 1.00 1.60 H new ATOM 0 HB3 LYS A 61 1.418 12.529 -10.940 1.00 1.60 H new ATOM 0 HG2 LYS A 61 4.082 12.926 -9.535 1.00 1.93 H new ATOM 0 HG3 LYS A 61 3.845 13.270 -11.237 1.00 1.93 H new ATOM 0 HD2 LYS A 61 2.303 15.022 -10.799 1.00 2.55 H new ATOM 0 HD3 LYS A 61 2.002 14.476 -9.162 1.00 2.55 H new ATOM 0 HE2 LYS A 61 4.649 15.607 -10.159 1.00 3.16 H new ATOM 0 HE3 LYS A 61 3.446 16.515 -9.266 1.00 3.16 H new ATOM 0 HZ1 LYS A 61 4.719 15.848 -7.545 1.00 3.92 H new ATOM 0 HZ2 LYS A 61 3.742 14.461 -7.624 1.00 3.92 H new ATOM 0 HZ3 LYS A 61 5.286 14.454 -8.332 1.00 3.92 H new ATOM 1000 N TYR A 62 -0.070 10.538 -7.933 1.00 0.83 N ATOM 1001 CA TYR A 62 -1.340 9.835 -7.868 1.00 0.69 C ATOM 1002 C TYR A 62 -2.237 10.584 -6.888 1.00 0.67 C ATOM 1003 O TYR A 62 -1.761 11.100 -5.876 1.00 0.83 O ATOM 1004 CB TYR A 62 -1.135 8.371 -7.432 1.00 0.70 C ATOM 1005 CG TYR A 62 -0.783 8.199 -5.971 1.00 0.74 C ATOM 1006 CD1 TYR A 62 0.448 8.613 -5.492 1.00 1.46 C ATOM 1007 CD2 TYR A 62 -1.692 7.658 -5.066 1.00 1.49 C ATOM 1008 CE1 TYR A 62 0.774 8.491 -4.158 1.00 1.79 C ATOM 1009 CE2 TYR A 62 -1.375 7.538 -3.724 1.00 1.84 C ATOM 1010 CZ TYR A 62 -0.141 7.957 -3.277 1.00 1.66 C ATOM 1011 OH TYR A 62 0.178 7.855 -1.942 1.00 2.21 O ATOM 0 H TYR A 62 0.414 10.612 -7.038 1.00 0.83 H new ATOM 0 HA TYR A 62 -1.808 9.807 -8.852 1.00 0.69 H new ATOM 0 HB2 TYR A 62 -2.046 7.811 -7.642 1.00 0.70 H new ATOM 0 HB3 TYR A 62 -0.343 7.931 -8.038 1.00 0.70 H new ATOM 0 HD1 TYR A 62 1.167 9.040 -6.176 1.00 1.46 H new ATOM 0 HD2 TYR A 62 -2.659 7.327 -5.416 1.00 1.49 H new ATOM 0 HE1 TYR A 62 1.743 8.813 -3.805 1.00 1.79 H new ATOM 0 HE2 TYR A 62 -2.090 7.119 -3.032 1.00 1.84 H new ATOM 0 HH TYR A 62 0.569 8.699 -1.634 1.00 2.21 H new ATOM 1021 N ASN A 63 -3.519 10.670 -7.178 1.00 0.64 N ATOM 1022 CA ASN A 63 -4.428 11.382 -6.296 1.00 0.73 C ATOM 1023 C ASN A 63 -4.987 10.424 -5.258 1.00 0.64 C ATOM 1024 O ASN A 63 -5.918 9.665 -5.523 1.00 0.73 O ATOM 1025 CB ASN A 63 -5.556 12.050 -7.087 1.00 0.89 C ATOM 1026 CG ASN A 63 -5.069 13.184 -7.980 1.00 1.49 C ATOM 1027 OD1 ASN A 63 -5.813 13.692 -8.819 1.00 2.15 O ATOM 1028 ND2 ASN A 63 -3.825 13.604 -7.798 1.00 2.13 N ATOM 0 H ASN A 63 -3.953 10.262 -8.006 1.00 0.64 H new ATOM 0 HA ASN A 63 -3.875 12.172 -5.788 1.00 0.73 H new ATOM 0 HB2 ASN A 63 -6.054 11.300 -7.701 1.00 0.89 H new ATOM 0 HB3 ASN A 63 -6.300 12.437 -6.391 1.00 0.89 H new ATOM 0 HD21 ASN A 63 -3.458 14.370 -8.362 1.00 2.13 H new ATOM 0 HD22 ASN A 63 -3.235 13.161 -7.094 1.00 2.13 H new ATOM 1035 N ILE A 64 -4.389 10.445 -4.079 1.00 0.74 N ATOM 1036 CA ILE A 64 -4.796 9.562 -2.999 1.00 0.70 C ATOM 1037 C ILE A 64 -5.770 10.271 -2.065 1.00 0.79 C ATOM 1038 O ILE A 64 -5.479 11.333 -1.509 1.00 1.00 O ATOM 1039 CB ILE A 64 -3.552 9.020 -2.242 1.00 0.76 C ATOM 1040 CG1 ILE A 64 -3.902 7.835 -1.328 1.00 0.80 C ATOM 1041 CG2 ILE A 64 -2.840 10.115 -1.460 1.00 0.91 C ATOM 1042 CD1 ILE A 64 -4.363 8.206 0.058 1.00 1.18 C ATOM 0 H ILE A 64 -3.616 11.068 -3.845 1.00 0.74 H new ATOM 0 HA ILE A 64 -5.319 8.704 -3.422 1.00 0.70 H new ATOM 0 HB ILE A 64 -2.864 8.655 -3.005 1.00 0.76 H new ATOM 0 HG12 ILE A 64 -4.684 7.246 -1.808 1.00 0.80 H new ATOM 0 HG13 ILE A 64 -3.026 7.192 -1.242 1.00 0.80 H new ATOM 0 HG21 ILE A 64 -1.977 9.692 -0.946 1.00 0.91 H new ATOM 0 HG22 ILE A 64 -2.508 10.895 -2.146 1.00 0.91 H new ATOM 0 HG23 ILE A 64 -3.525 10.543 -0.728 1.00 0.91 H new ATOM 0 HD11 ILE A 64 -4.585 7.300 0.622 1.00 1.18 H new ATOM 0 HD12 ILE A 64 -3.577 8.766 0.565 1.00 1.18 H new ATOM 0 HD13 ILE A 64 -5.261 8.820 -0.009 1.00 1.18 H new ATOM 1054 N ARG A 65 -6.949 9.691 -1.929 1.00 0.69 N ATOM 1055 CA ARG A 65 -7.989 10.267 -1.098 1.00 0.80 C ATOM 1056 C ARG A 65 -8.256 9.405 0.125 1.00 0.68 C ATOM 1057 O ARG A 65 -7.842 8.246 0.194 1.00 0.71 O ATOM 1058 CB ARG A 65 -9.275 10.461 -1.902 1.00 0.97 C ATOM 1059 CG ARG A 65 -9.070 11.265 -3.167 1.00 1.24 C ATOM 1060 CD ARG A 65 -8.261 12.520 -2.892 1.00 1.78 C ATOM 1061 NE ARG A 65 -7.912 13.231 -4.114 1.00 2.20 N ATOM 1062 CZ ARG A 65 -6.961 14.159 -4.181 1.00 2.86 C ATOM 1063 NH1 ARG A 65 -6.040 14.218 -3.231 1.00 3.32 N ATOM 1064 NH2 ARG A 65 -6.750 14.783 -5.330 1.00 3.57 N ATOM 0 H ARG A 65 -7.210 8.817 -2.386 1.00 0.69 H new ATOM 0 HA ARG A 65 -7.640 11.241 -0.756 1.00 0.80 H new ATOM 0 HB2 ARG A 65 -9.684 9.485 -2.162 1.00 0.97 H new ATOM 0 HB3 ARG A 65 -10.015 10.961 -1.277 1.00 0.97 H new ATOM 0 HG2 ARG A 65 -8.558 10.654 -3.911 1.00 1.24 H new ATOM 0 HG3 ARG A 65 -10.037 11.537 -3.589 1.00 1.24 H new ATOM 0 HD2 ARG A 65 -8.831 13.181 -2.240 1.00 1.78 H new ATOM 0 HD3 ARG A 65 -7.350 12.252 -2.357 1.00 1.78 H new ATOM 0 HE ARG A 65 -8.425 13.005 -4.966 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -6.063 13.555 -2.456 1.00 3.32 H new ATOM 0 HH12 ARG A 65 -5.307 14.926 -3.274 1.00 3.32 H new ATOM 0 HH21 ARG A 65 -7.313 14.550 -6.148 1.00 3.57 H new ATOM 0 HH22 ARG A 65 -6.024 15.497 -5.397 1.00 3.57 H new ATOM 1078 N GLN A 66 -8.939 9.987 1.090 1.00 0.82 N ATOM 1079 CA GLN A 66 -9.270 9.311 2.333 1.00 0.83 C ATOM 1080 C GLN A 66 -10.576 9.900 2.874 1.00 0.99 C ATOM 1081 O GLN A 66 -10.645 11.079 3.210 1.00 1.30 O ATOM 1082 CB GLN A 66 -8.075 9.444 3.304 1.00 0.97 C ATOM 1083 CG GLN A 66 -8.394 9.304 4.782 1.00 1.30 C ATOM 1084 CD GLN A 66 -8.616 10.646 5.448 1.00 1.66 C ATOM 1085 OE1 GLN A 66 -7.911 11.618 5.167 1.00 2.14 O ATOM 1086 NE2 GLN A 66 -9.571 10.704 6.356 1.00 2.45 N ATOM 0 H GLN A 66 -9.282 10.946 1.036 1.00 0.82 H new ATOM 0 HA GLN A 66 -9.439 8.244 2.189 1.00 0.83 H new ATOM 0 HB2 GLN A 66 -7.334 8.690 3.040 1.00 0.97 H new ATOM 0 HB3 GLN A 66 -7.610 10.417 3.144 1.00 0.97 H new ATOM 0 HG2 GLN A 66 -9.285 8.688 4.903 1.00 1.30 H new ATOM 0 HG3 GLN A 66 -7.577 8.783 5.281 1.00 1.30 H new ATOM 0 HE21 GLN A 66 -10.132 9.877 6.559 1.00 2.45 H new ATOM 0 HE22 GLN A 66 -9.748 11.576 6.855 1.00 2.45 H new ATOM 1095 N HIS A 67 -11.622 9.084 2.898 1.00 0.94 N ATOM 1096 CA HIS A 67 -12.940 9.525 3.340 1.00 1.14 C ATOM 1097 C HIS A 67 -13.350 8.817 4.615 1.00 1.30 C ATOM 1098 O HIS A 67 -13.274 7.594 4.706 1.00 1.32 O ATOM 1099 CB HIS A 67 -13.982 9.256 2.259 1.00 1.28 C ATOM 1100 CG HIS A 67 -13.663 9.900 0.950 1.00 1.31 C ATOM 1101 ND1 HIS A 67 -13.504 11.258 0.789 1.00 1.60 N ATOM 1102 CD2 HIS A 67 -13.453 9.353 -0.260 1.00 1.36 C ATOM 1103 CE1 HIS A 67 -13.210 11.517 -0.471 1.00 1.79 C ATOM 1104 NE2 HIS A 67 -13.173 10.375 -1.129 1.00 1.61 N ATOM 0 H HIS A 67 -11.583 8.105 2.614 1.00 0.94 H new ATOM 0 HA HIS A 67 -12.883 10.596 3.533 1.00 1.14 H new ATOM 0 HB2 HIS A 67 -14.073 8.180 2.113 1.00 1.28 H new ATOM 0 HB3 HIS A 67 -14.952 9.614 2.604 1.00 1.28 H new ATOM 0 HD2 HIS A 67 -13.497 8.302 -0.503 1.00 1.36 H new ATOM 0 HE1 HIS A 67 -13.031 12.496 -0.891 1.00 1.79 H new ATOM 0 HE2 HIS A 67 -12.969 10.269 -2.123 1.00 1.61 H new ATOM 1113 N THR A 68 -13.783 9.579 5.598 1.00 1.74 N ATOM 1114 CA THR A 68 -14.194 9.005 6.862 1.00 2.04 C ATOM 1115 C THR A 68 -15.712 8.912 6.978 1.00 1.92 C ATOM 1116 O THR A 68 -16.366 9.860 7.408 1.00 2.16 O ATOM 1117 CB THR A 68 -13.645 9.849 8.017 1.00 2.74 C ATOM 1118 OG1 THR A 68 -12.288 10.190 7.793 1.00 3.12 O ATOM 1119 CG2 THR A 68 -13.719 9.152 9.356 1.00 3.23 C ATOM 0 H THR A 68 -13.859 10.595 5.546 1.00 1.74 H new ATOM 0 HA THR A 68 -13.791 7.993 6.911 1.00 2.04 H new ATOM 0 HB THR A 68 -14.278 10.736 8.047 1.00 2.74 H new ATOM 0 HG1 THR A 68 -11.875 9.522 7.207 1.00 3.12 H new ATOM 0 HG21 THR A 68 -13.314 9.805 10.129 1.00 3.23 H new ATOM 0 HG22 THR A 68 -14.758 8.917 9.587 1.00 3.23 H new ATOM 0 HG23 THR A 68 -13.138 8.230 9.319 1.00 3.23 H new ATOM 1127 N THR A 69 -16.275 7.756 6.646 1.00 2.34 N ATOM 1128 CA THR A 69 -17.701 7.556 6.789 1.00 2.58 C ATOM 1129 C THR A 69 -17.923 7.096 8.232 1.00 2.35 C ATOM 1130 O THR A 69 -17.814 7.907 9.149 1.00 2.76 O ATOM 1131 CB THR A 69 -18.209 6.544 5.750 1.00 3.11 C ATOM 1132 OG1 THR A 69 -17.784 6.918 4.449 1.00 3.61 O ATOM 1133 CG2 THR A 69 -19.718 6.421 5.711 1.00 3.69 C ATOM 0 H THR A 69 -15.765 6.952 6.279 1.00 2.34 H new ATOM 0 HA THR A 69 -18.268 8.468 6.603 1.00 2.58 H new ATOM 0 HB THR A 69 -17.791 5.584 6.054 1.00 3.11 H new ATOM 0 HG1 THR A 69 -18.113 6.264 3.797 1.00 3.61 H new ATOM 0 HG21 THR A 69 -20.004 5.690 4.955 1.00 3.69 H new ATOM 0 HG22 THR A 69 -20.082 6.097 6.686 1.00 3.69 H new ATOM 0 HG23 THR A 69 -20.156 7.388 5.464 1.00 3.69 H new ATOM 1141 N ASP A 70 -18.148 5.807 8.467 1.00 2.34 N ATOM 1142 CA ASP A 70 -18.273 5.312 9.828 1.00 2.43 C ATOM 1143 C ASP A 70 -16.868 4.959 10.295 1.00 2.17 C ATOM 1144 O ASP A 70 -16.503 5.118 11.459 1.00 2.45 O ATOM 1145 CB ASP A 70 -19.187 4.089 9.879 1.00 3.01 C ATOM 1146 CG ASP A 70 -19.323 3.533 11.278 1.00 3.63 C ATOM 1147 OD1 ASP A 70 -19.652 4.305 12.198 1.00 4.26 O ATOM 1148 OD2 ASP A 70 -19.124 2.317 11.460 1.00 3.96 O ATOM 0 H ASP A 70 -18.246 5.097 7.741 1.00 2.34 H new ATOM 0 HA ASP A 70 -18.720 6.065 10.477 1.00 2.43 H new ATOM 0 HB2 ASP A 70 -20.173 4.359 9.500 1.00 3.01 H new ATOM 0 HB3 ASP A 70 -18.793 3.316 9.220 1.00 3.01 H new ATOM 1153 N GLU A 71 -16.071 4.541 9.318 1.00 2.04 N ATOM 1154 CA GLU A 71 -14.671 4.212 9.504 1.00 2.00 C ATOM 1155 C GLU A 71 -13.888 4.899 8.397 1.00 1.55 C ATOM 1156 O GLU A 71 -14.427 5.138 7.311 1.00 1.90 O ATOM 1157 CB GLU A 71 -14.433 2.696 9.469 1.00 2.69 C ATOM 1158 CG GLU A 71 -14.457 2.048 10.842 1.00 3.30 C ATOM 1159 CD GLU A 71 -13.381 2.596 11.757 1.00 3.99 C ATOM 1160 OE1 GLU A 71 -12.182 2.440 11.445 1.00 4.40 O ATOM 1161 OE2 GLU A 71 -13.732 3.202 12.789 1.00 4.50 O ATOM 0 H GLU A 71 -16.391 4.420 8.357 1.00 2.04 H new ATOM 0 HA GLU A 71 -14.342 4.556 10.484 1.00 2.00 H new ATOM 0 HB2 GLU A 71 -15.194 2.231 8.843 1.00 2.69 H new ATOM 0 HB3 GLU A 71 -13.470 2.498 8.999 1.00 2.69 H new ATOM 0 HG2 GLU A 71 -15.434 2.206 11.299 1.00 3.30 H new ATOM 0 HG3 GLU A 71 -14.326 0.971 10.735 1.00 3.30 H new ATOM 1168 N ASP A 72 -12.642 5.243 8.666 1.00 1.31 N ATOM 1169 CA ASP A 72 -11.821 5.931 7.677 1.00 1.10 C ATOM 1170 C ASP A 72 -11.501 5.002 6.505 1.00 0.90 C ATOM 1171 O ASP A 72 -10.980 3.903 6.692 1.00 1.26 O ATOM 1172 CB ASP A 72 -10.537 6.452 8.319 1.00 1.58 C ATOM 1173 CG ASP A 72 -10.099 7.779 7.735 1.00 2.08 C ATOM 1174 OD1 ASP A 72 -10.786 8.293 6.824 1.00 2.64 O ATOM 1175 OD2 ASP A 72 -9.078 8.328 8.201 1.00 2.67 O ATOM 0 H ASP A 72 -12.175 5.060 9.554 1.00 1.31 H new ATOM 0 HA ASP A 72 -12.383 6.783 7.293 1.00 1.10 H new ATOM 0 HB2 ASP A 72 -10.689 6.563 9.393 1.00 1.58 H new ATOM 0 HB3 ASP A 72 -9.742 5.718 8.184 1.00 1.58 H new ATOM 1180 N THR A 73 -11.880 5.427 5.308 1.00 0.74 N ATOM 1181 CA THR A 73 -11.693 4.636 4.098 1.00 0.65 C ATOM 1182 C THR A 73 -10.777 5.346 3.098 1.00 0.60 C ATOM 1183 O THR A 73 -11.002 6.509 2.770 1.00 0.79 O ATOM 1184 CB THR A 73 -13.066 4.404 3.468 1.00 0.79 C ATOM 1185 OG1 THR A 73 -13.924 3.750 4.391 1.00 0.89 O ATOM 1186 CG2 THR A 73 -13.032 3.577 2.200 1.00 0.94 C ATOM 0 H THR A 73 -12.326 6.330 5.147 1.00 0.74 H new ATOM 0 HA THR A 73 -11.219 3.690 4.359 1.00 0.65 H new ATOM 0 HB THR A 73 -13.433 5.396 3.207 1.00 0.79 H new ATOM 0 HG1 THR A 73 -13.419 3.066 4.878 1.00 0.89 H new ATOM 0 HG21 THR A 73 -14.045 3.458 1.816 1.00 0.94 H new ATOM 0 HG22 THR A 73 -12.418 4.081 1.454 1.00 0.94 H new ATOM 0 HG23 THR A 73 -12.609 2.596 2.417 1.00 0.94 H new ATOM 1194 N ILE A 74 -9.761 4.645 2.602 1.00 0.53 N ATOM 1195 CA ILE A 74 -8.838 5.229 1.635 1.00 0.52 C ATOM 1196 C ILE A 74 -9.312 4.945 0.215 1.00 0.50 C ATOM 1197 O ILE A 74 -9.872 3.889 -0.062 1.00 0.66 O ATOM 1198 CB ILE A 74 -7.404 4.670 1.797 1.00 0.62 C ATOM 1199 CG1 ILE A 74 -6.972 4.695 3.266 1.00 0.79 C ATOM 1200 CG2 ILE A 74 -6.412 5.446 0.932 1.00 0.73 C ATOM 1201 CD1 ILE A 74 -7.095 6.051 3.921 1.00 0.99 C ATOM 0 H ILE A 74 -9.557 3.677 2.852 1.00 0.53 H new ATOM 0 HA ILE A 74 -8.819 6.303 1.821 1.00 0.52 H new ATOM 0 HB ILE A 74 -7.410 3.634 1.459 1.00 0.62 H new ATOM 0 HG12 ILE A 74 -7.575 3.978 3.823 1.00 0.79 H new ATOM 0 HG13 ILE A 74 -5.936 4.362 3.335 1.00 0.79 H new ATOM 0 HG21 ILE A 74 -5.412 5.033 1.065 1.00 0.73 H new ATOM 0 HG22 ILE A 74 -6.702 5.365 -0.116 1.00 0.73 H new ATOM 0 HG23 ILE A 74 -6.413 6.495 1.229 1.00 0.73 H new ATOM 0 HD11 ILE A 74 -6.770 5.984 4.959 1.00 0.99 H new ATOM 0 HD12 ILE A 74 -6.470 6.769 3.390 1.00 0.99 H new ATOM 0 HD13 ILE A 74 -8.134 6.379 3.886 1.00 0.99 H new ATOM 1213 N VAL A 75 -9.068 5.889 -0.678 1.00 0.42 N ATOM 1214 CA VAL A 75 -9.444 5.765 -2.082 1.00 0.45 C ATOM 1215 C VAL A 75 -8.288 6.277 -2.941 1.00 0.46 C ATOM 1216 O VAL A 75 -7.637 7.248 -2.572 1.00 0.59 O ATOM 1217 CB VAL A 75 -10.733 6.569 -2.390 1.00 0.55 C ATOM 1218 CG1 VAL A 75 -11.025 6.600 -3.881 1.00 1.19 C ATOM 1219 CG2 VAL A 75 -11.922 6.002 -1.631 1.00 0.61 C ATOM 0 H VAL A 75 -8.602 6.768 -0.452 1.00 0.42 H new ATOM 0 HA VAL A 75 -9.648 4.718 -2.307 1.00 0.45 H new ATOM 0 HB VAL A 75 -10.565 7.593 -2.057 1.00 0.55 H new ATOM 0 HG11 VAL A 75 -11.935 7.172 -4.062 1.00 1.19 H new ATOM 0 HG12 VAL A 75 -10.192 7.069 -4.405 1.00 1.19 H new ATOM 0 HG13 VAL A 75 -11.157 5.582 -4.247 1.00 1.19 H new ATOM 0 HG21 VAL A 75 -12.814 6.584 -1.864 1.00 0.61 H new ATOM 0 HG22 VAL A 75 -12.079 4.964 -1.924 1.00 0.61 H new ATOM 0 HG23 VAL A 75 -11.727 6.051 -0.560 1.00 0.61 H new ATOM 1229 N LEU A 76 -8.004 5.629 -4.059 1.00 0.51 N ATOM 1230 CA LEU A 76 -6.892 6.061 -4.896 1.00 0.58 C ATOM 1231 C LEU A 76 -7.330 6.344 -6.326 1.00 0.59 C ATOM 1232 O LEU A 76 -7.913 5.486 -6.993 1.00 0.68 O ATOM 1233 CB LEU A 76 -5.769 5.017 -4.904 1.00 0.74 C ATOM 1234 CG LEU A 76 -5.280 4.556 -3.527 1.00 0.86 C ATOM 1235 CD1 LEU A 76 -6.127 3.401 -3.009 1.00 0.75 C ATOM 1236 CD2 LEU A 76 -3.814 4.166 -3.584 1.00 1.04 C ATOM 0 H LEU A 76 -8.516 4.817 -4.405 1.00 0.51 H new ATOM 0 HA LEU A 76 -6.519 6.989 -4.462 1.00 0.58 H new ATOM 0 HB2 LEU A 76 -6.114 4.144 -5.458 1.00 0.74 H new ATOM 0 HB3 LEU A 76 -4.921 5.427 -5.452 1.00 0.74 H new ATOM 0 HG LEU A 76 -5.385 5.389 -2.832 1.00 0.86 H new ATOM 0 HD11 LEU A 76 -5.760 3.091 -2.030 1.00 0.75 H new ATOM 0 HD12 LEU A 76 -7.165 3.721 -2.923 1.00 0.75 H new ATOM 0 HD13 LEU A 76 -6.062 2.563 -3.703 1.00 0.75 H new ATOM 0 HD21 LEU A 76 -3.485 3.842 -2.597 1.00 1.04 H new ATOM 0 HD22 LEU A 76 -3.682 3.352 -4.296 1.00 1.04 H new ATOM 0 HD23 LEU A 76 -3.221 5.024 -3.900 1.00 1.04 H new ATOM 1248 N GLN A 77 -7.012 7.542 -6.794 1.00 0.62 N ATOM 1249 CA GLN A 77 -7.325 7.956 -8.151 1.00 0.74 C ATOM 1250 C GLN A 77 -6.021 8.068 -8.934 1.00 0.78 C ATOM 1251 O GLN A 77 -5.151 8.876 -8.611 1.00 1.06 O ATOM 1252 CB GLN A 77 -8.096 9.279 -8.159 1.00 0.93 C ATOM 1253 CG GLN A 77 -9.493 9.161 -7.554 1.00 1.36 C ATOM 1254 CD GLN A 77 -10.324 10.414 -7.724 1.00 1.61 C ATOM 1255 OE1 GLN A 77 -10.465 10.931 -8.831 1.00 2.19 O ATOM 1256 NE2 GLN A 77 -10.904 10.894 -6.637 1.00 2.03 N ATOM 0 H GLN A 77 -6.530 8.253 -6.243 1.00 0.62 H new ATOM 0 HA GLN A 77 -7.969 7.214 -8.623 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -7.529 10.027 -7.605 1.00 0.93 H new ATOM 0 HB3 GLN A 77 -8.180 9.638 -9.185 1.00 0.93 H new ATOM 0 HG2 GLN A 77 -10.013 8.322 -8.017 1.00 1.36 H new ATOM 0 HG3 GLN A 77 -9.404 8.933 -6.492 1.00 1.36 H new ATOM 0 HE21 GLN A 77 -10.761 10.435 -5.738 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -11.494 11.723 -6.698 1.00 2.03 H new ATOM 1265 N PRO A 78 -5.847 7.191 -9.925 1.00 0.85 N ATOM 1266 CA PRO A 78 -4.616 7.109 -10.724 1.00 0.99 C ATOM 1267 C PRO A 78 -4.452 8.162 -11.809 1.00 1.02 C ATOM 1268 O PRO A 78 -5.421 8.735 -12.305 1.00 1.34 O ATOM 1269 CB PRO A 78 -4.753 5.745 -11.401 1.00 1.43 C ATOM 1270 CG PRO A 78 -6.219 5.538 -11.533 1.00 1.60 C ATOM 1271 CD PRO A 78 -6.819 6.143 -10.297 1.00 1.20 C ATOM 0 HA PRO A 78 -3.752 7.261 -10.078 1.00 0.99 H new ATOM 0 HB2 PRO A 78 -4.262 5.734 -12.374 1.00 1.43 H new ATOM 0 HB3 PRO A 78 -4.294 4.958 -10.803 1.00 1.43 H new ATOM 0 HG2 PRO A 78 -6.604 6.018 -12.432 1.00 1.60 H new ATOM 0 HG3 PRO A 78 -6.461 4.478 -11.609 1.00 1.60 H new ATOM 0 HD2 PRO A 78 -7.806 6.561 -10.493 1.00 1.20 H new ATOM 0 HD3 PRO A 78 -6.937 5.404 -9.504 1.00 1.20 H new ATOM 1279 N GLN A 79 -3.197 8.320 -12.232 1.00 1.17 N ATOM 1280 CA GLN A 79 -2.847 9.209 -13.338 1.00 1.56 C ATOM 1281 C GLN A 79 -2.998 8.410 -14.636 1.00 1.66 C ATOM 1282 O GLN A 79 -2.811 8.914 -15.743 1.00 2.02 O ATOM 1283 CB GLN A 79 -1.424 9.770 -13.181 1.00 2.04 C ATOM 1284 CG GLN A 79 -0.413 8.764 -12.645 1.00 2.20 C ATOM 1285 CD GLN A 79 1.009 9.301 -12.596 1.00 2.84 C ATOM 1286 OE1 GLN A 79 1.925 8.609 -12.152 1.00 3.22 O ATOM 1287 NE2 GLN A 79 1.207 10.530 -13.048 1.00 3.46 N ATOM 0 H GLN A 79 -2.399 7.837 -11.819 1.00 1.17 H new ATOM 0 HA GLN A 79 -3.511 10.074 -13.351 1.00 1.56 H new ATOM 0 HB2 GLN A 79 -1.080 10.134 -14.149 1.00 2.04 H new ATOM 0 HB3 GLN A 79 -1.456 10.629 -12.511 1.00 2.04 H new ATOM 0 HG2 GLN A 79 -0.712 8.459 -11.642 1.00 2.20 H new ATOM 0 HG3 GLN A 79 -0.434 7.871 -13.270 1.00 2.20 H new ATOM 0 HE21 GLN A 79 0.423 11.073 -13.409 1.00 3.46 H new ATOM 0 HE22 GLN A 79 2.144 10.933 -13.036 1.00 3.46 H new ATOM 1296 N GLU A 80 -3.415 7.161 -14.437 1.00 1.50 N ATOM 1297 CA GLU A 80 -3.718 6.179 -15.477 1.00 1.81 C ATOM 1298 C GLU A 80 -2.591 5.826 -16.485 1.00 1.62 C ATOM 1299 O GLU A 80 -2.851 5.617 -17.667 1.00 1.78 O ATOM 1300 CB GLU A 80 -5.009 6.595 -16.182 1.00 2.37 C ATOM 1301 CG GLU A 80 -5.695 5.479 -16.956 1.00 3.06 C ATOM 1302 CD GLU A 80 -7.131 5.806 -17.313 1.00 3.86 C ATOM 1303 OE1 GLU A 80 -7.366 6.839 -17.981 1.00 4.42 O ATOM 1304 OE2 GLU A 80 -8.033 5.026 -16.932 1.00 4.35 O ATOM 0 H GLU A 80 -3.558 6.787 -13.499 1.00 1.50 H new ATOM 0 HA GLU A 80 -3.835 5.232 -14.950 1.00 1.81 H new ATOM 0 HB2 GLU A 80 -5.704 6.985 -15.438 1.00 2.37 H new ATOM 0 HB3 GLU A 80 -4.786 7.412 -16.868 1.00 2.37 H new ATOM 0 HG2 GLU A 80 -5.135 5.280 -17.870 1.00 3.06 H new ATOM 0 HG3 GLU A 80 -5.672 4.565 -16.363 1.00 3.06 H new ATOM 1311 N PRO A 81 -1.344 5.661 -16.025 1.00 1.93 N ATOM 1312 CA PRO A 81 -0.216 5.237 -16.838 1.00 2.28 C ATOM 1313 C PRO A 81 0.103 3.799 -16.439 1.00 2.24 C ATOM 1314 O PRO A 81 1.251 3.426 -16.182 1.00 2.80 O ATOM 1315 CB PRO A 81 0.855 6.183 -16.313 1.00 2.89 C ATOM 1316 CG PRO A 81 0.528 6.327 -14.843 1.00 3.10 C ATOM 1317 CD PRO A 81 -0.886 5.802 -14.649 1.00 2.53 C ATOM 0 HA PRO A 81 -0.343 5.264 -17.920 1.00 2.28 H new ATOM 0 HB2 PRO A 81 1.855 5.775 -16.461 1.00 2.89 H new ATOM 0 HB3 PRO A 81 0.824 7.145 -16.825 1.00 2.89 H new ATOM 0 HG2 PRO A 81 1.235 5.764 -14.234 1.00 3.10 H new ATOM 0 HG3 PRO A 81 0.598 7.369 -14.532 1.00 3.10 H new ATOM 0 HD2 PRO A 81 -0.900 4.852 -14.114 1.00 2.53 H new ATOM 0 HD3 PRO A 81 -1.505 6.496 -14.081 1.00 2.53 H new ATOM 1325 N GLY A 82 -0.975 3.060 -16.230 1.00 1.99 N ATOM 1326 CA GLY A 82 -0.894 1.733 -15.676 1.00 2.10 C ATOM 1327 C GLY A 82 -1.175 1.971 -14.215 1.00 1.96 C ATOM 1328 O GLY A 82 -0.372 2.642 -13.565 1.00 2.51 O ATOM 0 H GLY A 82 -1.924 3.369 -16.441 1.00 1.99 H new ATOM 0 HA2 GLY A 82 -1.625 1.061 -16.125 1.00 2.10 H new ATOM 0 HA3 GLY A 82 0.088 1.287 -15.833 1.00 2.10 H new ATOM 1332 N LEU A 83 -2.313 1.490 -13.703 1.00 1.57 N ATOM 1333 CA LEU A 83 -2.712 1.738 -12.309 1.00 1.40 C ATOM 1334 C LEU A 83 -4.217 1.502 -12.178 1.00 1.22 C ATOM 1335 O LEU A 83 -5.000 2.142 -12.880 1.00 1.13 O ATOM 1336 CB LEU A 83 -2.426 3.208 -11.929 1.00 1.31 C ATOM 1337 CG LEU A 83 -2.143 3.505 -10.459 1.00 1.47 C ATOM 1338 CD1 LEU A 83 -1.596 4.913 -10.313 1.00 1.26 C ATOM 1339 CD2 LEU A 83 -3.389 3.343 -9.617 1.00 1.86 C ATOM 0 H LEU A 83 -2.977 0.925 -14.233 1.00 1.57 H new ATOM 0 HA LEU A 83 -2.151 1.070 -11.655 1.00 1.40 H new ATOM 0 HB2 LEU A 83 -1.571 3.548 -12.513 1.00 1.31 H new ATOM 0 HB3 LEU A 83 -3.282 3.809 -12.237 1.00 1.31 H new ATOM 0 HG LEU A 83 -1.401 2.789 -10.104 1.00 1.47 H new ATOM 0 HD11 LEU A 83 -1.396 5.118 -9.261 1.00 1.26 H new ATOM 0 HD12 LEU A 83 -0.671 5.005 -10.883 1.00 1.26 H new ATOM 0 HD13 LEU A 83 -2.327 5.628 -10.690 1.00 1.26 H new ATOM 0 HD21 LEU A 83 -3.155 3.561 -8.575 1.00 1.86 H new ATOM 0 HD22 LEU A 83 -4.158 4.031 -9.968 1.00 1.86 H new ATOM 0 HD23 LEU A 83 -3.754 2.319 -9.700 1.00 1.86 H new ATOM 1351 N PRO A 84 -4.651 0.605 -11.293 1.00 1.33 N ATOM 1352 CA PRO A 84 -6.066 0.337 -11.104 1.00 1.29 C ATOM 1353 C PRO A 84 -6.735 1.391 -10.223 1.00 1.09 C ATOM 1354 O PRO A 84 -6.122 1.923 -9.295 1.00 1.15 O ATOM 1355 CB PRO A 84 -6.082 -1.031 -10.415 1.00 1.58 C ATOM 1356 CG PRO A 84 -4.771 -1.139 -9.710 1.00 1.75 C ATOM 1357 CD PRO A 84 -3.806 -0.205 -10.404 1.00 1.64 C ATOM 0 HA PRO A 84 -6.618 0.357 -12.044 1.00 1.29 H new ATOM 0 HB2 PRO A 84 -6.912 -1.107 -9.713 1.00 1.58 H new ATOM 0 HB3 PRO A 84 -6.204 -1.835 -11.141 1.00 1.58 H new ATOM 0 HG2 PRO A 84 -4.877 -0.870 -8.659 1.00 1.75 H new ATOM 0 HG3 PRO A 84 -4.402 -2.164 -9.741 1.00 1.75 H new ATOM 0 HD2 PRO A 84 -3.273 0.419 -9.687 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -3.054 -0.758 -10.967 1.00 1.64 H new ATOM 1365 N SER A 85 -7.998 1.669 -10.487 1.00 0.99 N ATOM 1366 CA SER A 85 -8.738 2.628 -9.686 1.00 0.88 C ATOM 1367 C SER A 85 -9.503 1.872 -8.622 1.00 0.63 C ATOM 1368 O SER A 85 -10.504 1.207 -8.908 1.00 0.82 O ATOM 1369 CB SER A 85 -9.710 3.429 -10.540 1.00 1.23 C ATOM 1370 OG SER A 85 -9.060 4.036 -11.645 1.00 1.43 O ATOM 0 H SER A 85 -8.532 1.247 -11.247 1.00 0.99 H new ATOM 0 HA SER A 85 -8.036 3.329 -9.233 1.00 0.88 H new ATOM 0 HB2 SER A 85 -10.504 2.774 -10.899 1.00 1.23 H new ATOM 0 HB3 SER A 85 -10.183 4.198 -9.929 1.00 1.23 H new ATOM 0 HG SER A 85 -9.714 4.541 -12.172 1.00 1.43 H new ATOM 1376 N PHE A 86 -9.017 1.942 -7.403 1.00 0.53 N ATOM 1377 CA PHE A 86 -9.649 1.226 -6.318 1.00 0.64 C ATOM 1378 C PHE A 86 -9.711 2.043 -5.033 1.00 0.57 C ATOM 1379 O PHE A 86 -9.600 3.270 -5.035 1.00 0.63 O ATOM 1380 CB PHE A 86 -8.926 -0.112 -6.072 1.00 1.04 C ATOM 1381 CG PHE A 86 -7.535 -0.007 -5.482 1.00 0.74 C ATOM 1382 CD1 PHE A 86 -6.518 0.691 -6.121 1.00 1.30 C ATOM 1383 CD2 PHE A 86 -7.252 -0.628 -4.276 1.00 1.41 C ATOM 1384 CE1 PHE A 86 -5.255 0.763 -5.564 1.00 1.36 C ATOM 1385 CE2 PHE A 86 -5.993 -0.557 -3.718 1.00 1.36 C ATOM 1386 CZ PHE A 86 -4.993 0.138 -4.362 1.00 0.75 C ATOM 0 H PHE A 86 -8.193 2.483 -7.139 1.00 0.53 H new ATOM 0 HA PHE A 86 -10.679 1.032 -6.618 1.00 0.64 H new ATOM 0 HB2 PHE A 86 -9.539 -0.718 -5.405 1.00 1.04 H new ATOM 0 HB3 PHE A 86 -8.860 -0.648 -7.019 1.00 1.04 H new ATOM 0 HD1 PHE A 86 -6.716 1.182 -7.062 1.00 1.30 H new ATOM 0 HD2 PHE A 86 -8.030 -1.176 -3.765 1.00 1.41 H new ATOM 0 HE1 PHE A 86 -4.473 1.309 -6.070 1.00 1.36 H new ATOM 0 HE2 PHE A 86 -5.791 -1.046 -2.776 1.00 1.36 H new ATOM 0 HZ PHE A 86 -4.006 0.194 -3.927 1.00 0.75 H new ATOM 1396 N ARG A 87 -9.855 1.322 -3.941 1.00 0.60 N ATOM 1397 CA ARG A 87 -9.905 1.885 -2.611 1.00 0.57 C ATOM 1398 C ARG A 87 -9.316 0.872 -1.654 1.00 0.57 C ATOM 1399 O ARG A 87 -9.392 -0.317 -1.929 1.00 0.79 O ATOM 1400 CB ARG A 87 -11.355 2.216 -2.203 1.00 0.68 C ATOM 1401 CG ARG A 87 -12.414 1.275 -2.767 1.00 1.18 C ATOM 1402 CD ARG A 87 -13.344 2.019 -3.707 1.00 1.24 C ATOM 1403 NE ARG A 87 -14.426 1.179 -4.224 1.00 1.36 N ATOM 1404 CZ ARG A 87 -14.255 0.174 -5.079 1.00 1.70 C ATOM 1405 NH1 ARG A 87 -13.099 0.034 -5.711 1.00 2.00 N ATOM 1406 NH2 ARG A 87 -15.314 -0.487 -5.518 1.00 2.41 N ATOM 0 H ARG A 87 -9.942 0.306 -3.955 1.00 0.60 H new ATOM 0 HA ARG A 87 -9.337 2.815 -2.585 1.00 0.57 H new ATOM 0 HB2 ARG A 87 -11.422 2.204 -1.115 1.00 0.68 H new ATOM 0 HB3 ARG A 87 -11.584 3.232 -2.525 1.00 0.68 H new ATOM 0 HG2 ARG A 87 -11.933 0.454 -3.298 1.00 1.18 H new ATOM 0 HG3 ARG A 87 -12.988 0.835 -1.952 1.00 1.18 H new ATOM 0 HD2 ARG A 87 -13.773 2.874 -3.184 1.00 1.24 H new ATOM 0 HD3 ARG A 87 -12.767 2.414 -4.543 1.00 1.24 H new ATOM 0 HE ARG A 87 -15.375 1.378 -3.907 1.00 1.36 H new ATOM 0 HH11 ARG A 87 -12.342 0.696 -5.542 1.00 2.00 H new ATOM 0 HH12 ARG A 87 -12.966 -0.736 -6.367 1.00 2.00 H new ATOM 0 HH21 ARG A 87 -16.247 -0.224 -5.201 1.00 2.41 H new ATOM 0 HH22 ARG A 87 -15.197 -1.260 -6.174 1.00 2.41 H new ATOM 1420 N ILE A 88 -8.770 1.318 -0.532 1.00 0.52 N ATOM 1421 CA ILE A 88 -8.229 0.398 0.461 1.00 0.54 C ATOM 1422 C ILE A 88 -8.939 0.628 1.780 1.00 0.59 C ATOM 1423 O ILE A 88 -8.976 1.741 2.312 1.00 0.68 O ATOM 1424 CB ILE A 88 -6.699 0.453 0.626 1.00 0.59 C ATOM 1425 CG1 ILE A 88 -6.154 1.845 0.303 1.00 0.63 C ATOM 1426 CG2 ILE A 88 -6.050 -0.613 -0.253 1.00 0.65 C ATOM 1427 CD1 ILE A 88 -4.651 1.949 0.421 1.00 0.74 C ATOM 0 H ILE A 88 -8.689 2.305 -0.286 1.00 0.52 H new ATOM 0 HA ILE A 88 -8.419 -0.611 0.096 1.00 0.54 H new ATOM 0 HB ILE A 88 -6.452 0.248 1.668 1.00 0.59 H new ATOM 0 HG12 ILE A 88 -6.450 2.116 -0.711 1.00 0.63 H new ATOM 0 HG13 ILE A 88 -6.614 2.571 0.974 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -4.967 -0.572 -0.135 1.00 0.65 H new ATOM 0 HG22 ILE A 88 -6.411 -1.598 0.043 1.00 0.65 H new ATOM 0 HG23 ILE A 88 -6.308 -0.431 -1.296 1.00 0.65 H new ATOM 0 HD11 ILE A 88 -4.336 2.964 0.177 1.00 0.74 H new ATOM 0 HD12 ILE A 88 -4.349 1.710 1.441 1.00 0.74 H new ATOM 0 HD13 ILE A 88 -4.182 1.248 -0.270 1.00 0.74 H new ATOM 1439 N LYS A 89 -9.581 -0.421 2.244 1.00 0.62 N ATOM 1440 CA LYS A 89 -10.391 -0.369 3.434 1.00 0.74 C ATOM 1441 C LYS A 89 -10.205 -1.636 4.258 1.00 0.85 C ATOM 1442 O LYS A 89 -10.287 -2.746 3.730 1.00 0.96 O ATOM 1443 CB LYS A 89 -11.845 -0.178 2.969 1.00 0.95 C ATOM 1444 CG LYS A 89 -12.906 -0.879 3.788 1.00 1.31 C ATOM 1445 CD LYS A 89 -13.815 0.123 4.476 1.00 1.68 C ATOM 1446 CE LYS A 89 -14.778 0.765 3.492 1.00 1.89 C ATOM 1447 NZ LYS A 89 -15.696 1.722 4.151 1.00 2.46 N ATOM 0 H LYS A 89 -9.554 -1.339 1.801 1.00 0.62 H new ATOM 0 HA LYS A 89 -10.102 0.456 4.085 1.00 0.74 H new ATOM 0 HB2 LYS A 89 -12.066 0.889 2.964 1.00 0.95 H new ATOM 0 HB3 LYS A 89 -11.923 -0.524 1.938 1.00 0.95 H new ATOM 0 HG2 LYS A 89 -13.498 -1.529 3.143 1.00 1.31 H new ATOM 0 HG3 LYS A 89 -12.432 -1.517 4.534 1.00 1.31 H new ATOM 0 HD2 LYS A 89 -14.378 -0.376 5.265 1.00 1.68 H new ATOM 0 HD3 LYS A 89 -13.212 0.895 4.954 1.00 1.68 H new ATOM 0 HE2 LYS A 89 -14.212 1.282 2.717 1.00 1.89 H new ATOM 0 HE3 LYS A 89 -15.360 -0.012 2.997 1.00 1.89 H new ATOM 0 HZ1 LYS A 89 -16.529 1.876 3.547 1.00 2.46 H new ATOM 0 HZ2 LYS A 89 -16.000 1.336 5.068 1.00 2.46 H new ATOM 0 HZ3 LYS A 89 -15.205 2.626 4.301 1.00 2.46 H new ATOM 1461 N PRO A 90 -9.931 -1.481 5.558 1.00 1.06 N ATOM 1462 CA PRO A 90 -9.715 -2.605 6.467 1.00 1.30 C ATOM 1463 C PRO A 90 -11.024 -3.270 6.879 1.00 1.47 C ATOM 1464 O PRO A 90 -11.376 -3.280 8.062 1.00 1.94 O ATOM 1465 CB PRO A 90 -9.038 -1.966 7.691 1.00 1.59 C ATOM 1466 CG PRO A 90 -8.831 -0.523 7.356 1.00 1.77 C ATOM 1467 CD PRO A 90 -9.789 -0.196 6.251 1.00 1.29 C ATOM 0 HA PRO A 90 -9.121 -3.391 6.001 1.00 1.30 H new ATOM 0 HB2 PRO A 90 -9.661 -2.073 8.579 1.00 1.59 H new ATOM 0 HB3 PRO A 90 -8.088 -2.454 7.908 1.00 1.59 H new ATOM 0 HG2 PRO A 90 -9.015 0.107 8.227 1.00 1.77 H new ATOM 0 HG3 PRO A 90 -7.803 -0.342 7.043 1.00 1.77 H new ATOM 0 HD2 PRO A 90 -10.743 0.165 6.635 1.00 1.29 H new ATOM 0 HD3 PRO A 90 -9.398 0.579 5.592 1.00 1.29 H new ATOM 1475 N LYS A 91 -11.737 -3.837 5.899 1.00 1.40 N ATOM 1476 CA LYS A 91 -13.010 -4.531 6.137 1.00 1.72 C ATOM 1477 C LYS A 91 -14.058 -3.600 6.762 1.00 2.02 C ATOM 1478 O LYS A 91 -15.129 -4.046 7.177 1.00 2.48 O ATOM 1479 CB LYS A 91 -12.769 -5.762 7.020 1.00 1.95 C ATOM 1480 CG LYS A 91 -13.821 -6.851 6.871 1.00 2.50 C ATOM 1481 CD LYS A 91 -13.415 -8.120 7.604 1.00 2.94 C ATOM 1482 CE LYS A 91 -14.342 -9.280 7.267 1.00 3.58 C ATOM 1483 NZ LYS A 91 -14.328 -9.598 5.814 1.00 4.13 N ATOM 0 H LYS A 91 -11.449 -3.828 4.920 1.00 1.40 H new ATOM 0 HA LYS A 91 -13.409 -4.855 5.176 1.00 1.72 H new ATOM 0 HB2 LYS A 91 -11.792 -6.181 6.781 1.00 1.95 H new ATOM 0 HB3 LYS A 91 -12.734 -5.446 8.063 1.00 1.95 H new ATOM 0 HG2 LYS A 91 -14.774 -6.494 7.260 1.00 2.50 H new ATOM 0 HG3 LYS A 91 -13.971 -7.072 5.814 1.00 2.50 H new ATOM 0 HD2 LYS A 91 -12.391 -8.383 7.339 1.00 2.94 H new ATOM 0 HD3 LYS A 91 -13.430 -7.941 8.679 1.00 2.94 H new ATOM 0 HE2 LYS A 91 -14.042 -10.161 7.834 1.00 3.58 H new ATOM 0 HE3 LYS A 91 -15.358 -9.034 7.575 1.00 3.58 H new ATOM 0 HZ1 LYS A 91 -14.227 -10.625 5.684 1.00 4.13 H new ATOM 0 HZ2 LYS A 91 -15.218 -9.280 5.380 1.00 4.13 H new ATOM 0 HZ3 LYS A 91 -13.529 -9.112 5.360 1.00 4.13 H new ATOM 1497 N ASP A 92 -13.711 -2.311 6.851 1.00 2.34 N ATOM 1498 CA ASP A 92 -14.576 -1.295 7.452 1.00 2.92 C ATOM 1499 C ASP A 92 -14.797 -1.663 8.912 1.00 2.79 C ATOM 1500 O ASP A 92 -15.869 -1.474 9.477 1.00 3.27 O ATOM 1501 CB ASP A 92 -15.900 -1.219 6.689 1.00 3.81 C ATOM 1502 CG ASP A 92 -16.688 0.047 6.960 1.00 4.45 C ATOM 1503 OD1 ASP A 92 -16.146 1.153 6.725 1.00 4.67 O ATOM 1504 OD2 ASP A 92 -17.873 -0.057 7.336 1.00 5.11 O ATOM 0 H ASP A 92 -12.823 -1.945 6.508 1.00 2.34 H new ATOM 0 HA ASP A 92 -14.110 -0.311 7.396 1.00 2.92 H new ATOM 0 HB2 ASP A 92 -15.698 -1.289 5.620 1.00 3.81 H new ATOM 0 HB3 ASP A 92 -16.512 -2.081 6.954 1.00 3.81 H new ATOM 1509 N PHE A 93 -13.750 -2.241 9.487 1.00 2.71 N ATOM 1510 CA PHE A 93 -13.762 -2.712 10.858 1.00 2.95 C ATOM 1511 C PHE A 93 -12.679 -2.008 11.665 1.00 3.05 C ATOM 1512 O PHE A 93 -11.654 -1.607 11.114 1.00 3.30 O ATOM 1513 CB PHE A 93 -13.511 -4.221 10.852 1.00 3.27 C ATOM 1514 CG PHE A 93 -13.841 -4.919 12.136 1.00 3.84 C ATOM 1515 CD1 PHE A 93 -15.144 -4.957 12.607 1.00 4.41 C ATOM 1516 CD2 PHE A 93 -12.848 -5.552 12.860 1.00 4.40 C ATOM 1517 CE1 PHE A 93 -15.449 -5.617 13.782 1.00 5.31 C ATOM 1518 CE2 PHE A 93 -13.146 -6.211 14.037 1.00 5.30 C ATOM 1519 CZ PHE A 93 -14.448 -6.245 14.498 1.00 5.69 C ATOM 0 H PHE A 93 -12.863 -2.395 9.007 1.00 2.71 H new ATOM 0 HA PHE A 93 -14.727 -2.494 11.316 1.00 2.95 H new ATOM 0 HB2 PHE A 93 -14.098 -4.669 10.050 1.00 3.27 H new ATOM 0 HB3 PHE A 93 -12.462 -4.399 10.617 1.00 3.27 H new ATOM 0 HD1 PHE A 93 -15.928 -4.466 12.050 1.00 4.41 H new ATOM 0 HD2 PHE A 93 -11.829 -5.531 12.502 1.00 4.40 H new ATOM 0 HE1 PHE A 93 -16.468 -5.642 14.140 1.00 5.31 H new ATOM 0 HE2 PHE A 93 -12.362 -6.699 14.596 1.00 5.30 H new ATOM 0 HZ PHE A 93 -14.683 -6.762 15.417 1.00 5.69 H new ATOM 1529 N GLU A 94 -12.905 -1.862 12.964 1.00 3.44 N ATOM 1530 CA GLU A 94 -11.940 -1.203 13.833 1.00 3.96 C ATOM 1531 C GLU A 94 -10.843 -2.166 14.266 1.00 3.75 C ATOM 1532 O GLU A 94 -9.677 -1.997 13.914 1.00 4.15 O ATOM 1533 CB GLU A 94 -12.632 -0.630 15.067 1.00 4.82 C ATOM 1534 CG GLU A 94 -13.606 0.492 14.755 1.00 5.73 C ATOM 1535 CD GLU A 94 -14.306 1.004 15.994 1.00 6.51 C ATOM 1536 OE1 GLU A 94 -15.228 0.323 16.488 1.00 6.69 O ATOM 1537 OE2 GLU A 94 -13.918 2.077 16.501 1.00 7.20 O ATOM 0 H GLU A 94 -13.746 -2.190 13.438 1.00 3.44 H new ATOM 0 HA GLU A 94 -11.487 -0.390 13.265 1.00 3.96 H new ATOM 0 HB2 GLU A 94 -13.166 -1.431 15.578 1.00 4.82 H new ATOM 0 HB3 GLU A 94 -11.875 -0.260 15.758 1.00 4.82 H new ATOM 0 HG2 GLU A 94 -13.071 1.313 14.277 1.00 5.73 H new ATOM 0 HG3 GLU A 94 -14.349 0.137 14.041 1.00 5.73 H new ATOM 1544 N THR A 95 -11.220 -3.177 15.041 1.00 3.56 N ATOM 1545 CA THR A 95 -10.268 -4.162 15.534 1.00 3.57 C ATOM 1546 C THR A 95 -9.882 -5.158 14.432 1.00 3.11 C ATOM 1547 O THR A 95 -9.938 -6.378 14.617 1.00 3.46 O ATOM 1548 CB THR A 95 -10.851 -4.886 16.756 1.00 4.37 C ATOM 1549 OG1 THR A 95 -11.427 -3.950 17.651 1.00 4.92 O ATOM 1550 CG2 THR A 95 -9.824 -5.674 17.540 1.00 4.79 C ATOM 0 H THR A 95 -12.182 -3.335 15.341 1.00 3.56 H new ATOM 0 HA THR A 95 -9.358 -3.645 15.838 1.00 3.57 H new ATOM 0 HB THR A 95 -11.590 -5.579 16.355 1.00 4.37 H new ATOM 0 HG1 THR A 95 -11.797 -4.423 18.425 1.00 4.92 H new ATOM 0 HG21 THR A 95 -10.307 -6.159 18.388 1.00 4.79 H new ATOM 0 HG22 THR A 95 -9.377 -6.431 16.896 1.00 4.79 H new ATOM 0 HG23 THR A 95 -9.047 -5.000 17.901 1.00 4.79 H new ATOM 1558 N SER A 96 -9.464 -4.625 13.286 1.00 2.83 N ATOM 1559 CA SER A 96 -9.034 -5.439 12.168 1.00 2.92 C ATOM 1560 C SER A 96 -7.666 -5.978 12.541 1.00 2.63 C ATOM 1561 O SER A 96 -7.552 -6.903 13.345 1.00 2.95 O ATOM 1562 CB SER A 96 -8.976 -4.570 10.909 1.00 3.49 C ATOM 1563 OG SER A 96 -8.608 -5.315 9.763 1.00 4.05 O ATOM 0 H SER A 96 -9.417 -3.621 13.114 1.00 2.83 H new ATOM 0 HA SER A 96 -9.717 -6.262 11.960 1.00 2.92 H new ATOM 0 HB2 SER A 96 -9.949 -4.108 10.743 1.00 3.49 H new ATOM 0 HB3 SER A 96 -8.261 -3.761 11.060 1.00 3.49 H new ATOM 0 HG SER A 96 -8.842 -4.811 8.956 1.00 4.05 H new ATOM 1569 N GLU A 97 -6.630 -5.341 12.049 1.00 2.52 N ATOM 1570 CA GLU A 97 -5.305 -5.706 12.453 1.00 2.71 C ATOM 1571 C GLU A 97 -5.133 -5.125 13.845 1.00 2.41 C ATOM 1572 O GLU A 97 -5.307 -5.805 14.851 1.00 2.64 O ATOM 1573 CB GLU A 97 -4.269 -5.140 11.487 1.00 3.26 C ATOM 1574 CG GLU A 97 -2.844 -5.575 11.788 1.00 3.93 C ATOM 1575 CD GLU A 97 -2.666 -7.081 11.682 1.00 4.42 C ATOM 1576 OE1 GLU A 97 -3.214 -7.811 12.534 1.00 4.75 O ATOM 1577 OE2 GLU A 97 -1.998 -7.540 10.733 1.00 4.86 O ATOM 0 H GLU A 97 -6.683 -4.576 11.376 1.00 2.52 H new ATOM 0 HA GLU A 97 -5.163 -6.787 12.451 1.00 2.71 H new ATOM 0 HB2 GLU A 97 -4.526 -5.447 10.473 1.00 3.26 H new ATOM 0 HB3 GLU A 97 -4.319 -4.051 11.513 1.00 3.26 H new ATOM 0 HG2 GLU A 97 -2.162 -5.081 11.096 1.00 3.93 H new ATOM 0 HG3 GLU A 97 -2.571 -5.249 12.792 1.00 3.93 H new ATOM 1584 N TYR A 98 -4.794 -3.844 13.842 1.00 2.15 N ATOM 1585 CA TYR A 98 -4.555 -2.991 14.978 1.00 1.95 C ATOM 1586 C TYR A 98 -3.716 -1.876 14.393 1.00 1.56 C ATOM 1587 O TYR A 98 -3.805 -0.707 14.762 1.00 1.45 O ATOM 1588 CB TYR A 98 -3.807 -3.704 16.085 1.00 2.16 C ATOM 1589 CG TYR A 98 -4.666 -4.010 17.295 1.00 2.85 C ATOM 1590 CD1 TYR A 98 -5.316 -2.991 17.977 1.00 3.28 C ATOM 1591 CD2 TYR A 98 -4.825 -5.312 17.757 1.00 3.63 C ATOM 1592 CE1 TYR A 98 -6.099 -3.260 19.084 1.00 4.19 C ATOM 1593 CE2 TYR A 98 -5.611 -5.586 18.860 1.00 4.46 C ATOM 1594 CZ TYR A 98 -6.243 -4.560 19.517 1.00 4.66 C ATOM 1595 OH TYR A 98 -7.012 -4.832 20.625 1.00 5.65 O ATOM 0 H TYR A 98 -4.671 -3.339 12.964 1.00 2.15 H new ATOM 0 HA TYR A 98 -5.480 -2.649 15.443 1.00 1.95 H new ATOM 0 HB2 TYR A 98 -3.398 -4.636 15.695 1.00 2.16 H new ATOM 0 HB3 TYR A 98 -2.962 -3.090 16.395 1.00 2.16 H new ATOM 0 HD1 TYR A 98 -5.208 -1.971 17.637 1.00 3.28 H new ATOM 0 HD2 TYR A 98 -4.326 -6.122 17.246 1.00 3.63 H new ATOM 0 HE1 TYR A 98 -6.595 -2.456 19.607 1.00 4.19 H new ATOM 0 HE2 TYR A 98 -5.728 -6.603 19.204 1.00 4.46 H new ATOM 0 HH TYR A 98 -7.011 -5.797 20.795 1.00 5.65 H new ATOM 1605 N VAL A 99 -2.929 -2.304 13.404 1.00 1.54 N ATOM 1606 CA VAL A 99 -2.052 -1.437 12.628 1.00 1.34 C ATOM 1607 C VAL A 99 -2.828 -0.753 11.511 1.00 1.17 C ATOM 1608 O VAL A 99 -2.596 0.415 11.215 1.00 1.04 O ATOM 1609 CB VAL A 99 -0.899 -2.238 11.990 1.00 1.65 C ATOM 1610 CG1 VAL A 99 -0.014 -1.337 11.135 1.00 1.76 C ATOM 1611 CG2 VAL A 99 -0.082 -2.946 13.059 1.00 1.91 C ATOM 0 H VAL A 99 -2.885 -3.282 13.118 1.00 1.54 H new ATOM 0 HA VAL A 99 -1.646 -0.694 13.315 1.00 1.34 H new ATOM 0 HB VAL A 99 -1.333 -2.995 11.337 1.00 1.65 H new ATOM 0 HG11 VAL A 99 0.791 -1.927 10.697 1.00 1.76 H new ATOM 0 HG12 VAL A 99 -0.610 -0.890 10.340 1.00 1.76 H new ATOM 0 HG13 VAL A 99 0.411 -0.549 11.756 1.00 1.76 H new ATOM 0 HG21 VAL A 99 0.726 -3.505 12.588 1.00 1.91 H new ATOM 0 HG22 VAL A 99 0.338 -2.209 13.744 1.00 1.91 H new ATOM 0 HG23 VAL A 99 -0.723 -3.632 13.612 1.00 1.91 H new ATOM 1621 N ARG A 100 -3.719 -1.520 10.872 1.00 1.36 N ATOM 1622 CA ARG A 100 -4.517 -1.030 9.739 1.00 1.42 C ATOM 1623 C ARG A 100 -5.111 0.361 9.970 1.00 1.31 C ATOM 1624 O ARG A 100 -5.064 1.202 9.083 1.00 1.31 O ATOM 1625 CB ARG A 100 -5.622 -2.025 9.385 1.00 1.78 C ATOM 1626 CG ARG A 100 -5.085 -3.330 8.826 1.00 2.37 C ATOM 1627 CD ARG A 100 -6.179 -4.227 8.273 1.00 3.01 C ATOM 1628 NE ARG A 100 -5.610 -5.365 7.554 1.00 3.48 N ATOM 1629 CZ ARG A 100 -5.145 -6.469 8.137 1.00 4.17 C ATOM 1630 NH1 ARG A 100 -5.695 -6.890 9.266 1.00 4.49 N ATOM 1631 NH2 ARG A 100 -4.474 -7.343 7.405 1.00 4.93 N ATOM 0 H ARG A 100 -3.907 -2.491 11.122 1.00 1.36 H new ATOM 0 HA ARG A 100 -3.827 -0.939 8.900 1.00 1.42 H new ATOM 0 HB2 ARG A 100 -6.215 -2.234 10.275 1.00 1.78 H new ATOM 0 HB3 ARG A 100 -6.292 -1.571 8.655 1.00 1.78 H new ATOM 0 HG2 ARG A 100 -4.365 -3.113 8.037 1.00 2.37 H new ATOM 0 HG3 ARG A 100 -4.547 -3.862 9.610 1.00 2.37 H new ATOM 0 HD2 ARG A 100 -6.807 -4.585 9.088 1.00 3.01 H new ATOM 0 HD3 ARG A 100 -6.821 -3.654 7.604 1.00 3.01 H new ATOM 0 HE ARG A 100 -5.566 -5.310 6.536 1.00 3.48 H new ATOM 0 HH11 ARG A 100 -6.468 -6.370 9.682 1.00 4.49 H new ATOM 0 HH12 ARG A 100 -5.346 -7.734 9.720 1.00 4.49 H new ATOM 0 HH21 ARG A 100 -4.321 -7.166 6.412 1.00 4.93 H new ATOM 0 HH22 ARG A 100 -4.110 -8.194 7.833 1.00 4.93 H new ATOM 1645 N LYS A 101 -5.665 0.602 11.149 1.00 1.34 N ATOM 1646 CA LYS A 101 -6.257 1.902 11.455 1.00 1.43 C ATOM 1647 C LYS A 101 -5.200 2.985 11.659 1.00 1.27 C ATOM 1648 O LYS A 101 -5.456 4.161 11.398 1.00 1.40 O ATOM 1649 CB LYS A 101 -7.130 1.815 12.702 1.00 1.68 C ATOM 1650 CG LYS A 101 -8.515 1.256 12.439 1.00 2.35 C ATOM 1651 CD LYS A 101 -9.330 1.183 13.716 1.00 2.61 C ATOM 1652 CE LYS A 101 -9.625 2.564 14.277 1.00 2.79 C ATOM 1653 NZ LYS A 101 -10.578 3.326 13.429 1.00 3.24 N ATOM 0 H LYS A 101 -5.719 -0.078 11.907 1.00 1.34 H new ATOM 0 HA LYS A 101 -6.866 2.178 10.594 1.00 1.43 H new ATOM 0 HB2 LYS A 101 -6.630 1.190 13.442 1.00 1.68 H new ATOM 0 HB3 LYS A 101 -7.226 2.810 13.138 1.00 1.68 H new ATOM 0 HG2 LYS A 101 -9.030 1.883 11.711 1.00 2.35 H new ATOM 0 HG3 LYS A 101 -8.431 0.261 12.001 1.00 2.35 H new ATOM 0 HD2 LYS A 101 -10.267 0.663 13.520 1.00 2.61 H new ATOM 0 HD3 LYS A 101 -8.790 0.597 14.459 1.00 2.61 H new ATOM 0 HE2 LYS A 101 -10.035 2.465 15.282 1.00 2.79 H new ATOM 0 HE3 LYS A 101 -8.694 3.124 14.366 1.00 2.79 H new ATOM 0 HZ1 LYS A 101 -10.068 4.077 12.923 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -11.021 2.684 12.741 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -11.314 3.751 14.029 1.00 3.24 H new ATOM 1667 N ALA A 102 -4.025 2.590 12.128 1.00 1.11 N ATOM 1668 CA ALA A 102 -2.946 3.532 12.375 1.00 1.11 C ATOM 1669 C ALA A 102 -2.292 3.966 11.080 1.00 0.99 C ATOM 1670 O ALA A 102 -2.365 5.131 10.700 1.00 1.28 O ATOM 1671 CB ALA A 102 -1.914 2.916 13.308 1.00 1.22 C ATOM 0 H ALA A 102 -3.796 1.620 12.345 1.00 1.11 H new ATOM 0 HA ALA A 102 -3.370 4.416 12.850 1.00 1.11 H new ATOM 0 HB1 ALA A 102 -1.111 3.631 13.485 1.00 1.22 H new ATOM 0 HB2 ALA A 102 -2.387 2.660 14.256 1.00 1.22 H new ATOM 0 HB3 ALA A 102 -1.503 2.015 12.852 1.00 1.22 H new ATOM 1677 N TRP A 103 -1.601 3.038 10.434 1.00 0.97 N ATOM 1678 CA TRP A 103 -0.876 3.339 9.212 1.00 1.01 C ATOM 1679 C TRP A 103 -1.780 3.849 8.086 1.00 0.93 C ATOM 1680 O TRP A 103 -1.292 4.401 7.106 1.00 1.00 O ATOM 1681 CB TRP A 103 -0.048 2.127 8.787 1.00 1.40 C ATOM 1682 CG TRP A 103 -0.715 1.175 7.842 1.00 0.71 C ATOM 1683 CD1 TRP A 103 -1.815 0.404 8.077 1.00 0.69 C ATOM 1684 CD2 TRP A 103 -0.290 0.878 6.508 1.00 0.61 C ATOM 1685 NE1 TRP A 103 -2.101 -0.356 6.967 1.00 1.16 N ATOM 1686 CE2 TRP A 103 -1.175 -0.079 5.993 1.00 0.92 C ATOM 1687 CE3 TRP A 103 0.757 1.334 5.694 1.00 0.89 C ATOM 1688 CZ2 TRP A 103 -1.041 -0.592 4.708 1.00 1.30 C ATOM 1689 CZ3 TRP A 103 0.878 0.819 4.418 1.00 0.73 C ATOM 1690 CH2 TRP A 103 -0.015 -0.132 3.944 1.00 0.98 C ATOM 0 H TRP A 103 -1.528 2.067 10.739 1.00 0.97 H new ATOM 0 HA TRP A 103 -0.198 4.165 9.425 1.00 1.01 H new ATOM 0 HB2 TRP A 103 0.871 2.484 8.323 1.00 1.40 H new ATOM 0 HB3 TRP A 103 0.240 1.577 9.683 1.00 1.40 H new ATOM 0 HD1 TRP A 103 -2.378 0.392 8.998 1.00 0.69 H new ATOM 0 HE1 TRP A 103 -2.874 -1.016 6.882 1.00 1.16 H new ATOM 0 HE3 TRP A 103 1.455 2.073 6.058 1.00 0.89 H new ATOM 0 HZ2 TRP A 103 -1.730 -1.332 4.329 1.00 1.30 H new ATOM 0 HZ3 TRP A 103 1.679 1.161 3.780 1.00 0.73 H new ATOM 0 HH2 TRP A 103 0.108 -0.516 2.942 1.00 0.98 H new ATOM 1701 N LEU A 104 -3.093 3.738 8.260 1.00 0.95 N ATOM 1702 CA LEU A 104 -4.025 4.272 7.289 1.00 1.12 C ATOM 1703 C LEU A 104 -3.919 5.787 7.394 1.00 1.10 C ATOM 1704 O LEU A 104 -3.872 6.512 6.409 1.00 1.40 O ATOM 1705 CB LEU A 104 -5.434 3.739 7.580 1.00 1.35 C ATOM 1706 CG LEU A 104 -6.599 4.479 6.934 1.00 1.47 C ATOM 1707 CD1 LEU A 104 -7.764 3.531 6.704 1.00 2.27 C ATOM 1708 CD2 LEU A 104 -7.012 5.644 7.814 1.00 1.69 C ATOM 0 H LEU A 104 -3.529 3.284 9.063 1.00 0.95 H new ATOM 0 HA LEU A 104 -3.800 3.965 6.268 1.00 1.12 H new ATOM 0 HB2 LEU A 104 -5.475 2.698 7.261 1.00 1.35 H new ATOM 0 HB3 LEU A 104 -5.584 3.748 8.660 1.00 1.35 H new ATOM 0 HG LEU A 104 -6.287 4.868 5.965 1.00 1.47 H new ATOM 0 HD11 LEU A 104 -8.589 4.074 6.242 1.00 2.27 H new ATOM 0 HD12 LEU A 104 -7.449 2.721 6.047 1.00 2.27 H new ATOM 0 HD13 LEU A 104 -8.091 3.118 7.658 1.00 2.27 H new ATOM 0 HD21 LEU A 104 -7.845 6.172 7.351 1.00 1.69 H new ATOM 0 HD22 LEU A 104 -7.317 5.271 8.792 1.00 1.69 H new ATOM 0 HD23 LEU A 104 -6.171 6.327 7.933 1.00 1.69 H new ATOM 1720 N ARG A 105 -3.848 6.235 8.637 1.00 1.01 N ATOM 1721 CA ARG A 105 -3.690 7.645 8.959 1.00 1.18 C ATOM 1722 C ARG A 105 -2.341 8.102 8.393 1.00 1.08 C ATOM 1723 O ARG A 105 -2.202 9.225 7.903 1.00 1.21 O ATOM 1724 CB ARG A 105 -3.794 7.813 10.484 1.00 1.38 C ATOM 1725 CG ARG A 105 -3.691 9.239 11.006 1.00 2.01 C ATOM 1726 CD ARG A 105 -2.249 9.628 11.238 1.00 2.29 C ATOM 1727 NE ARG A 105 -1.538 8.620 12.013 1.00 2.86 N ATOM 1728 CZ ARG A 105 -0.220 8.582 12.137 1.00 3.68 C ATOM 1729 NH1 ARG A 105 0.539 9.358 11.373 1.00 4.09 N ATOM 1730 NH2 ARG A 105 0.337 7.609 12.834 1.00 4.52 N ATOM 0 H ARG A 105 -3.899 5.628 9.455 1.00 1.01 H new ATOM 0 HA ARG A 105 -4.468 8.266 8.516 1.00 1.18 H new ATOM 0 HB2 ARG A 105 -4.746 7.395 10.812 1.00 1.38 H new ATOM 0 HB3 ARG A 105 -3.008 7.219 10.950 1.00 1.38 H new ATOM 0 HG2 ARG A 105 -4.146 9.925 10.292 1.00 2.01 H new ATOM 0 HG3 ARG A 105 -4.250 9.331 11.937 1.00 2.01 H new ATOM 0 HD2 ARG A 105 -1.751 9.768 10.279 1.00 2.29 H new ATOM 0 HD3 ARG A 105 -2.209 10.584 11.760 1.00 2.29 H new ATOM 0 HE ARG A 105 -2.087 7.903 12.487 1.00 2.86 H new ATOM 0 HH11 ARG A 105 0.107 9.982 10.692 1.00 4.09 H new ATOM 0 HH12 ARG A 105 1.554 9.330 11.467 1.00 4.09 H new ATOM 0 HH21 ARG A 105 -0.247 6.896 13.271 1.00 4.52 H new ATOM 0 HH22 ARG A 105 1.351 7.570 12.936 1.00 4.52 H new ATOM 1744 N ASP A 106 -1.373 7.183 8.391 1.00 0.95 N ATOM 1745 CA ASP A 106 -0.054 7.442 7.809 1.00 0.99 C ATOM 1746 C ASP A 106 -0.147 7.423 6.284 1.00 0.96 C ATOM 1747 O ASP A 106 0.779 7.832 5.587 1.00 1.17 O ATOM 1748 CB ASP A 106 0.994 6.419 8.268 1.00 1.09 C ATOM 1749 CG ASP A 106 1.335 6.529 9.742 1.00 1.46 C ATOM 1750 OD1 ASP A 106 2.191 7.369 10.099 1.00 1.76 O ATOM 1751 OD2 ASP A 106 0.753 5.780 10.554 1.00 2.18 O ATOM 0 H ASP A 106 -1.479 6.249 8.788 1.00 0.95 H new ATOM 0 HA ASP A 106 0.266 8.425 8.155 1.00 0.99 H new ATOM 0 HB2 ASP A 106 0.625 5.414 8.062 1.00 1.09 H new ATOM 0 HB3 ASP A 106 1.903 6.552 7.681 1.00 1.09 H new ATOM 1756 N ILE A 107 -1.293 6.977 5.777 1.00 0.92 N ATOM 1757 CA ILE A 107 -1.544 6.941 4.344 1.00 1.04 C ATOM 1758 C ILE A 107 -2.005 8.324 3.920 1.00 1.23 C ATOM 1759 O ILE A 107 -1.746 8.768 2.812 1.00 1.43 O ATOM 1760 CB ILE A 107 -2.607 5.873 3.953 1.00 1.06 C ATOM 1761 CG1 ILE A 107 -1.977 4.762 3.118 1.00 1.18 C ATOM 1762 CG2 ILE A 107 -3.783 6.485 3.196 1.00 1.23 C ATOM 1763 CD1 ILE A 107 -1.017 3.890 3.888 1.00 1.45 C ATOM 0 H ILE A 107 -2.067 6.633 6.345 1.00 0.92 H new ATOM 0 HA ILE A 107 -0.625 6.659 3.831 1.00 1.04 H new ATOM 0 HB ILE A 107 -2.989 5.452 4.883 1.00 1.06 H new ATOM 0 HG12 ILE A 107 -2.769 4.137 2.705 1.00 1.18 H new ATOM 0 HG13 ILE A 107 -1.451 5.209 2.274 1.00 1.18 H new ATOM 0 HG21 ILE A 107 -4.500 5.703 2.944 1.00 1.23 H new ATOM 0 HG22 ILE A 107 -4.268 7.234 3.822 1.00 1.23 H new ATOM 0 HG23 ILE A 107 -3.422 6.955 2.281 1.00 1.23 H new ATOM 0 HD11 ILE A 107 -0.611 3.124 3.227 1.00 1.45 H new ATOM 0 HD12 ILE A 107 -0.203 4.501 4.278 1.00 1.45 H new ATOM 0 HD13 ILE A 107 -1.542 3.413 4.716 1.00 1.45 H new ATOM 1775 N ALA A 108 -2.664 9.016 4.839 1.00 1.25 N ATOM 1776 CA ALA A 108 -3.113 10.364 4.575 1.00 1.52 C ATOM 1777 C ALA A 108 -1.887 11.256 4.546 1.00 1.59 C ATOM 1778 O ALA A 108 -1.686 12.038 3.622 1.00 1.92 O ATOM 1779 CB ALA A 108 -4.095 10.824 5.636 1.00 1.62 C ATOM 0 H ALA A 108 -2.896 8.663 5.768 1.00 1.25 H new ATOM 0 HA ALA A 108 -3.636 10.410 3.620 1.00 1.52 H new ATOM 0 HB1 ALA A 108 -4.419 11.841 5.416 1.00 1.62 H new ATOM 0 HB2 ALA A 108 -4.960 10.161 5.643 1.00 1.62 H new ATOM 0 HB3 ALA A 108 -3.612 10.800 6.613 1.00 1.62 H new ATOM 1785 N GLU A 109 -1.056 11.092 5.569 1.00 1.39 N ATOM 1786 CA GLU A 109 0.192 11.830 5.708 1.00 1.50 C ATOM 1787 C GLU A 109 1.310 11.211 4.858 1.00 1.43 C ATOM 1788 O GLU A 109 2.457 11.145 5.305 1.00 1.70 O ATOM 1789 CB GLU A 109 0.634 11.814 7.170 1.00 1.69 C ATOM 1790 CG GLU A 109 -0.423 12.274 8.155 1.00 1.73 C ATOM 1791 CD GLU A 109 0.143 12.378 9.552 1.00 2.07 C ATOM 1792 OE1 GLU A 109 1.191 13.028 9.725 1.00 2.40 O ATOM 1793 OE2 GLU A 109 -0.450 11.811 10.483 1.00 2.56 O ATOM 0 H GLU A 109 -1.232 10.437 6.331 1.00 1.39 H new ATOM 0 HA GLU A 109 0.014 12.850 5.367 1.00 1.50 H new ATOM 0 HB2 GLU A 109 0.940 10.801 7.432 1.00 1.69 H new ATOM 0 HB3 GLU A 109 1.513 12.450 7.277 1.00 1.69 H new ATOM 0 HG2 GLU A 109 -0.816 13.243 7.846 1.00 1.73 H new ATOM 0 HG3 GLU A 109 -1.259 11.574 8.149 1.00 1.73 H new ATOM 1800 N GLU A 110 0.988 10.718 3.668 1.00 1.49 N ATOM 1801 CA GLU A 110 1.997 10.079 2.838 1.00 1.63 C ATOM 1802 C GLU A 110 3.000 11.062 2.207 1.00 1.78 C ATOM 1803 O GLU A 110 3.141 12.214 2.630 1.00 2.20 O ATOM 1804 CB GLU A 110 1.367 9.132 1.804 1.00 2.09 C ATOM 1805 CG GLU A 110 0.221 9.706 0.980 1.00 2.83 C ATOM 1806 CD GLU A 110 0.631 10.869 0.124 1.00 3.38 C ATOM 1807 OE1 GLU A 110 0.637 12.004 0.633 1.00 3.86 O ATOM 1808 OE2 GLU A 110 0.988 10.645 -1.049 1.00 3.86 O ATOM 0 H GLU A 110 0.052 10.748 3.263 1.00 1.49 H new ATOM 0 HA GLU A 110 2.595 9.468 3.515 1.00 1.63 H new ATOM 0 HB2 GLU A 110 2.149 8.801 1.120 1.00 2.09 H new ATOM 0 HB3 GLU A 110 1.004 8.246 2.326 1.00 2.09 H new ATOM 0 HG2 GLU A 110 -0.188 8.922 0.344 1.00 2.83 H new ATOM 0 HG3 GLU A 110 -0.578 10.021 1.651 1.00 2.83 H new ATOM 1815 N GLN A 111 3.748 10.546 1.244 1.00 1.93 N ATOM 1816 CA GLN A 111 4.819 11.275 0.577 1.00 2.44 C ATOM 1817 C GLN A 111 4.411 12.469 -0.306 1.00 2.84 C ATOM 1818 O GLN A 111 5.264 13.309 -0.589 1.00 3.22 O ATOM 1819 CB GLN A 111 5.625 10.296 -0.268 1.00 2.97 C ATOM 1820 CG GLN A 111 6.939 10.874 -0.753 1.00 3.66 C ATOM 1821 CD GLN A 111 7.600 10.029 -1.821 1.00 4.54 C ATOM 1822 OE1 GLN A 111 8.663 10.375 -2.328 1.00 5.12 O ATOM 1823 NE2 GLN A 111 6.975 8.915 -2.167 1.00 5.02 N ATOM 0 H GLN A 111 3.627 9.594 0.898 1.00 1.93 H new ATOM 0 HA GLN A 111 5.391 11.721 1.391 1.00 2.44 H new ATOM 0 HB2 GLN A 111 5.823 9.398 0.317 1.00 2.97 H new ATOM 0 HB3 GLN A 111 5.029 9.991 -1.128 1.00 2.97 H new ATOM 0 HG2 GLN A 111 6.766 11.876 -1.146 1.00 3.66 H new ATOM 0 HG3 GLN A 111 7.618 10.977 0.093 1.00 3.66 H new ATOM 0 HE21 GLN A 111 6.093 8.665 -1.720 1.00 5.02 H new ATOM 0 HE22 GLN A 111 7.375 8.306 -2.881 1.00 5.02 H new