USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 390 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 33 ASN :FLIP amide:sc= 0.218 F(o=-0.58,f=0.36) USER MOD Set 1.2: A 51 GLN :FLIP amide:sc= 0.147 F(o=-0.58,f=0.36) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -160:sc= -2.17! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 24 THR OG1 : rot -68:sc= 0.256 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -14:sc= 0.692 USER MOD Single : A 32 GLN :FLIP amide:sc= 0.411 F(o=-0.32,f=0.41) USER MOD Single : A 36 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.166) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 6:sc= 0.575! USER MOD Single : A 57 ASN : amide:sc= -0.278 K(o=-0.28,f=-3!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ALA A 8 -6.725 -6.478 -8.993 1.00 0.33 N ATOM 103 CA ALA A 8 -5.910 -7.259 -8.025 1.00 0.23 C ATOM 104 C ALA A 8 -6.623 -7.322 -6.678 1.00 0.19 C ATOM 105 O ALA A 8 -7.752 -6.889 -6.554 1.00 0.14 O ATOM 106 CB ALA A 8 -4.566 -6.546 -7.837 1.00 0.17 C ATOM 0 HA ALA A 8 -5.762 -8.271 -8.403 1.00 0.23 H new ATOM 0 HB1 ALA A 8 -3.954 -7.105 -7.129 1.00 0.17 H new ATOM 0 HB2 ALA A 8 -4.049 -6.485 -8.795 1.00 0.17 H new ATOM 0 HB3 ALA A 8 -4.738 -5.541 -7.453 1.00 0.17 H new ATOM 112 N VAL A 9 -5.952 -7.855 -5.698 1.00 0.27 N ATOM 113 CA VAL A 9 -6.574 -7.958 -4.348 1.00 0.26 C ATOM 114 C VAL A 9 -5.553 -7.642 -3.271 1.00 0.42 C ATOM 115 O VAL A 9 -4.617 -6.901 -3.475 1.00 0.85 O ATOM 116 CB VAL A 9 -7.070 -9.408 -4.129 1.00 0.31 C ATOM 117 CG1 VAL A 9 -7.730 -9.901 -5.405 1.00 0.18 C ATOM 118 CG2 VAL A 9 -5.910 -10.355 -3.771 1.00 0.55 C ATOM 0 H VAL A 9 -5.003 -8.223 -5.771 1.00 0.27 H new ATOM 0 HA VAL A 9 -7.401 -7.250 -4.289 1.00 0.26 H new ATOM 0 HB VAL A 9 -7.778 -9.405 -3.300 1.00 0.31 H new ATOM 0 HG11 VAL A 9 -8.083 -10.922 -5.261 1.00 0.18 H new ATOM 0 HG12 VAL A 9 -8.574 -9.257 -5.651 1.00 0.18 H new ATOM 0 HG13 VAL A 9 -7.007 -9.879 -6.221 1.00 0.18 H new ATOM 0 HG21 VAL A 9 -6.296 -11.364 -3.625 1.00 0.55 H new ATOM 0 HG22 VAL A 9 -5.181 -10.359 -4.581 1.00 0.55 H new ATOM 0 HG23 VAL A 9 -5.431 -10.013 -2.854 1.00 0.55 H new ATOM 128 N LYS A 10 -5.782 -8.219 -2.147 1.00 0.32 N ATOM 129 CA LYS A 10 -4.884 -8.022 -0.996 1.00 0.32 C ATOM 130 C LYS A 10 -5.254 -9.073 0.038 1.00 0.33 C ATOM 131 O LYS A 10 -5.943 -8.781 0.992 1.00 0.37 O ATOM 132 CB LYS A 10 -5.101 -6.627 -0.405 1.00 0.29 C ATOM 133 CG LYS A 10 -4.034 -6.376 0.667 1.00 0.15 C ATOM 134 CD LYS A 10 -2.904 -5.519 0.084 1.00 1.98 C ATOM 135 CE LYS A 10 -1.878 -5.210 1.178 1.00 1.41 C ATOM 136 NZ LYS A 10 -1.309 -3.847 0.982 1.00 2.40 N ATOM 0 H LYS A 10 -6.574 -8.836 -1.969 1.00 0.32 H new ATOM 0 HA LYS A 10 -3.840 -8.113 -1.295 1.00 0.32 H new ATOM 0 HB2 LYS A 10 -5.036 -5.871 -1.187 1.00 0.29 H new ATOM 0 HB3 LYS A 10 -6.098 -6.551 0.029 1.00 0.29 H new ATOM 0 HG2 LYS A 10 -4.479 -5.873 1.525 1.00 0.15 H new ATOM 0 HG3 LYS A 10 -3.635 -7.325 1.026 1.00 0.15 H new ATOM 0 HD2 LYS A 10 -2.424 -6.045 -0.741 1.00 1.98 H new ATOM 0 HD3 LYS A 10 -3.309 -4.592 -0.321 1.00 1.98 H new ATOM 0 HE2 LYS A 10 -2.350 -5.277 2.158 1.00 1.41 H new ATOM 0 HE3 LYS A 10 -1.079 -5.952 1.157 1.00 1.41 H new ATOM 0 HZ1 LYS A 10 -0.614 -3.650 1.731 1.00 2.40 H new ATOM 0 HZ2 LYS A 10 -0.842 -3.796 0.054 1.00 2.40 H new ATOM 0 HZ3 LYS A 10 -2.073 -3.143 1.024 1.00 2.40 H new ATOM 150 N ALA A 11 -4.803 -10.277 -0.200 1.00 0.33 N ATOM 151 CA ALA A 11 -5.101 -11.398 0.737 1.00 0.34 C ATOM 152 C ALA A 11 -5.266 -10.924 2.165 1.00 0.32 C ATOM 153 O ALA A 11 -4.341 -10.440 2.779 1.00 0.30 O ATOM 154 CB ALA A 11 -3.948 -12.397 0.687 1.00 0.36 C ATOM 0 H ALA A 11 -4.237 -10.532 -1.009 1.00 0.33 H new ATOM 0 HA ALA A 11 -6.040 -11.854 0.424 1.00 0.34 H new ATOM 0 HB1 ALA A 11 -4.153 -13.223 1.368 1.00 0.36 H new ATOM 0 HB2 ALA A 11 -3.843 -12.781 -0.328 1.00 0.36 H new ATOM 0 HB3 ALA A 11 -3.024 -11.901 0.985 1.00 0.36 H new ATOM 160 N LEU A 12 -6.464 -11.049 2.652 1.00 0.34 N ATOM 161 CA LEU A 12 -6.728 -10.617 4.039 1.00 0.32 C ATOM 162 C LEU A 12 -6.363 -11.751 4.976 1.00 0.36 C ATOM 163 O LEU A 12 -5.949 -11.541 6.100 1.00 0.39 O ATOM 164 CB LEU A 12 -8.233 -10.325 4.203 1.00 0.40 C ATOM 165 CG LEU A 12 -8.747 -9.499 3.011 1.00 0.50 C ATOM 166 CD1 LEU A 12 -10.273 -9.403 3.105 1.00 0.66 C ATOM 167 CD2 LEU A 12 -8.151 -8.089 3.078 1.00 0.56 C ATOM 0 H LEU A 12 -7.266 -11.430 2.150 1.00 0.34 H new ATOM 0 HA LEU A 12 -6.145 -9.724 4.264 1.00 0.32 H new ATOM 0 HB2 LEU A 12 -8.787 -11.261 4.272 1.00 0.40 H new ATOM 0 HB3 LEU A 12 -8.406 -9.783 5.132 1.00 0.40 H new ATOM 0 HG LEU A 12 -8.456 -9.974 2.074 1.00 0.50 H new ATOM 0 HD11 LEU A 12 -10.653 -8.820 2.266 1.00 0.66 H new ATOM 0 HD12 LEU A 12 -10.703 -10.404 3.075 1.00 0.66 H new ATOM 0 HD13 LEU A 12 -10.550 -8.917 4.040 1.00 0.66 H new ATOM 0 HD21 LEU A 12 -8.513 -7.501 2.235 1.00 0.56 H new ATOM 0 HD22 LEU A 12 -8.452 -7.611 4.010 1.00 0.56 H new ATOM 0 HD23 LEU A 12 -7.064 -8.151 3.037 1.00 0.56 H new ATOM 179 N PHE A 13 -6.537 -12.949 4.479 1.00 0.50 N ATOM 180 CA PHE A 13 -6.219 -14.151 5.298 1.00 0.70 C ATOM 181 C PHE A 13 -4.870 -14.752 4.883 1.00 0.52 C ATOM 182 O PHE A 13 -4.303 -14.370 3.878 1.00 0.56 O ATOM 183 CB PHE A 13 -7.302 -15.217 5.024 1.00 1.10 C ATOM 184 CG PHE A 13 -8.662 -14.879 5.677 1.00 0.84 C ATOM 185 CD1 PHE A 13 -9.001 -13.591 6.073 1.00 1.15 C ATOM 186 CD2 PHE A 13 -9.606 -15.880 5.822 1.00 0.82 C ATOM 187 CE1 PHE A 13 -10.241 -13.315 6.586 1.00 1.05 C ATOM 188 CE2 PHE A 13 -10.853 -15.602 6.344 1.00 1.14 C ATOM 189 CZ PHE A 13 -11.171 -14.319 6.725 1.00 1.05 C ATOM 0 H PHE A 13 -6.886 -13.144 3.541 1.00 0.50 H new ATOM 0 HA PHE A 13 -6.182 -13.862 6.348 1.00 0.70 H new ATOM 0 HB2 PHE A 13 -7.438 -15.320 3.947 1.00 1.10 H new ATOM 0 HB3 PHE A 13 -6.957 -16.182 5.396 1.00 1.10 H new ATOM 0 HD1 PHE A 13 -8.277 -12.796 5.975 1.00 1.15 H new ATOM 0 HD2 PHE A 13 -9.365 -16.889 5.524 1.00 0.82 H new ATOM 0 HE1 PHE A 13 -10.489 -12.306 6.882 1.00 1.05 H new ATOM 0 HE2 PHE A 13 -11.580 -16.393 6.454 1.00 1.14 H new ATOM 0 HZ PHE A 13 -12.147 -14.101 7.132 1.00 1.05 H new ATOM 199 N ASP A 14 -4.385 -15.679 5.673 1.00 0.36 N ATOM 200 CA ASP A 14 -3.078 -16.331 5.357 1.00 0.25 C ATOM 201 C ASP A 14 -3.305 -17.775 4.887 1.00 0.13 C ATOM 202 O ASP A 14 -4.049 -18.515 5.501 1.00 0.20 O ATOM 203 CB ASP A 14 -2.224 -16.344 6.630 1.00 0.39 C ATOM 204 CG ASP A 14 -1.755 -14.918 6.934 1.00 2.24 C ATOM 205 OD1 ASP A 14 -2.544 -14.205 7.531 1.00 3.59 O ATOM 206 OD2 ASP A 14 -0.636 -14.623 6.547 1.00 3.20 O ATOM 0 H ASP A 14 -4.839 -16.012 6.524 1.00 0.36 H new ATOM 0 HA ASP A 14 -2.576 -15.778 4.563 1.00 0.25 H new ATOM 0 HB2 ASP A 14 -2.802 -16.736 7.467 1.00 0.39 H new ATOM 0 HB3 ASP A 14 -1.365 -17.003 6.500 1.00 0.39 H new ATOM 211 N TYR A 15 -2.658 -18.141 3.809 1.00 0.25 N ATOM 212 CA TYR A 15 -2.811 -19.527 3.268 1.00 0.14 C ATOM 213 C TYR A 15 -1.523 -20.335 3.434 1.00 0.13 C ATOM 214 O TYR A 15 -0.507 -19.811 3.846 1.00 0.17 O ATOM 215 CB TYR A 15 -3.105 -19.397 1.766 1.00 0.10 C ATOM 216 CG TYR A 15 -3.838 -20.639 1.270 1.00 0.06 C ATOM 217 CD1 TYR A 15 -3.140 -21.781 0.972 1.00 0.07 C ATOM 218 CD2 TYR A 15 -5.210 -20.661 1.203 1.00 0.08 C ATOM 219 CE1 TYR A 15 -3.779 -22.931 0.640 1.00 0.10 C ATOM 220 CE2 TYR A 15 -5.874 -21.823 0.855 1.00 0.06 C ATOM 221 CZ TYR A 15 -5.156 -22.976 0.576 1.00 0.08 C ATOM 222 OH TYR A 15 -5.806 -24.162 0.293 1.00 0.12 O ATOM 0 H TYR A 15 -2.029 -17.538 3.279 1.00 0.25 H new ATOM 0 HA TYR A 15 -3.609 -20.039 3.806 1.00 0.14 H new ATOM 0 HB2 TYR A 15 -3.710 -18.509 1.581 1.00 0.10 H new ATOM 0 HB3 TYR A 15 -2.174 -19.269 1.214 1.00 0.10 H new ATOM 0 HD1 TYR A 15 -2.061 -21.765 1.002 1.00 0.07 H new ATOM 0 HD2 TYR A 15 -5.773 -19.766 1.423 1.00 0.08 H new ATOM 0 HE1 TYR A 15 -3.204 -23.819 0.424 1.00 0.10 H new ATOM 0 HE2 TYR A 15 -6.953 -21.833 0.800 1.00 0.06 H new ATOM 0 HH TYR A 15 -6.712 -23.970 -0.028 1.00 0.12 H new ATOM 232 N LYS A 16 -1.590 -21.602 3.110 1.00 0.12 N ATOM 233 CA LYS A 16 -0.379 -22.456 3.239 1.00 0.14 C ATOM 234 C LYS A 16 -0.309 -23.610 2.221 1.00 0.14 C ATOM 235 O LYS A 16 -0.251 -24.763 2.604 1.00 0.20 O ATOM 236 CB LYS A 16 -0.345 -23.048 4.653 1.00 0.19 C ATOM 237 CG LYS A 16 1.084 -23.504 4.962 1.00 0.11 C ATOM 238 CD LYS A 16 1.042 -24.793 5.788 1.00 0.59 C ATOM 239 CE LYS A 16 0.345 -24.518 7.123 1.00 2.13 C ATOM 240 NZ LYS A 16 1.191 -24.984 8.257 1.00 1.35 N ATOM 0 H LYS A 16 -2.425 -22.075 2.765 1.00 0.12 H new ATOM 0 HA LYS A 16 0.477 -21.812 3.039 1.00 0.14 H new ATOM 0 HB2 LYS A 16 -0.670 -22.305 5.381 1.00 0.19 H new ATOM 0 HB3 LYS A 16 -1.034 -23.889 4.727 1.00 0.19 H new ATOM 0 HG2 LYS A 16 1.632 -23.671 4.035 1.00 0.11 H new ATOM 0 HG3 LYS A 16 1.615 -22.726 5.510 1.00 0.11 H new ATOM 0 HD2 LYS A 16 0.510 -25.572 5.241 1.00 0.59 H new ATOM 0 HD3 LYS A 16 2.054 -25.160 5.962 1.00 0.59 H new ATOM 0 HE2 LYS A 16 0.147 -23.451 7.224 1.00 2.13 H new ATOM 0 HE3 LYS A 16 -0.619 -25.025 7.148 1.00 2.13 H new ATOM 0 HZ1 LYS A 16 0.704 -24.790 9.156 1.00 1.35 H new ATOM 0 HZ2 LYS A 16 1.359 -26.006 8.168 1.00 1.35 H new ATOM 0 HZ3 LYS A 16 2.101 -24.481 8.241 1.00 1.35 H new ATOM 254 N ALA A 17 -0.311 -23.280 0.945 1.00 0.11 N ATOM 255 CA ALA A 17 -0.235 -24.351 -0.103 1.00 0.16 C ATOM 256 C ALA A 17 1.127 -24.260 -0.736 1.00 0.14 C ATOM 257 O ALA A 17 1.778 -25.245 -1.010 1.00 0.14 O ATOM 258 CB ALA A 17 -1.234 -24.123 -1.243 1.00 0.18 C ATOM 0 H ALA A 17 -0.361 -22.325 0.589 1.00 0.11 H new ATOM 0 HA ALA A 17 -0.445 -25.306 0.379 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -1.139 -24.925 -1.975 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -2.248 -24.115 -0.842 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -1.026 -23.167 -1.723 1.00 0.18 H new ATOM 264 N GLN A 18 1.474 -23.028 -0.973 1.00 0.12 N ATOM 265 CA GLN A 18 2.786 -22.678 -1.602 1.00 0.11 C ATOM 266 C GLN A 18 2.813 -23.064 -3.070 1.00 0.15 C ATOM 267 O GLN A 18 3.436 -22.401 -3.875 1.00 0.17 O ATOM 268 CB GLN A 18 3.925 -23.410 -0.876 1.00 0.09 C ATOM 269 CG GLN A 18 5.275 -22.870 -1.366 1.00 0.11 C ATOM 270 CD GLN A 18 6.398 -23.712 -0.764 1.00 0.70 C ATOM 271 OE1 GLN A 18 7.230 -23.224 -0.024 1.00 0.97 O ATOM 272 NE2 GLN A 18 6.457 -24.983 -1.052 1.00 1.10 N ATOM 0 H GLN A 18 0.889 -22.223 -0.752 1.00 0.12 H new ATOM 0 HA GLN A 18 2.917 -21.599 -1.519 1.00 0.11 H new ATOM 0 HB2 GLN A 18 3.834 -23.269 0.201 1.00 0.09 H new ATOM 0 HB3 GLN A 18 3.860 -24.482 -1.063 1.00 0.09 H new ATOM 0 HG2 GLN A 18 5.321 -22.905 -2.454 1.00 0.11 H new ATOM 0 HG3 GLN A 18 5.390 -21.826 -1.075 1.00 0.11 H new ATOM 0 HE21 GLN A 18 5.762 -25.398 -1.672 1.00 1.10 H new ATOM 0 HE22 GLN A 18 7.198 -25.562 -0.657 1.00 1.10 H new ATOM 281 N ARG A 19 2.137 -24.123 -3.388 1.00 0.21 N ATOM 282 CA ARG A 19 2.105 -24.577 -4.798 1.00 0.28 C ATOM 283 C ARG A 19 1.279 -25.847 -4.896 1.00 0.36 C ATOM 284 O ARG A 19 1.788 -26.940 -4.757 1.00 0.58 O ATOM 285 CB ARG A 19 3.558 -24.850 -5.249 1.00 0.22 C ATOM 286 CG ARG A 19 3.591 -25.816 -6.448 1.00 0.76 C ATOM 287 CD ARG A 19 4.819 -25.510 -7.317 1.00 0.70 C ATOM 288 NE ARG A 19 5.363 -26.783 -7.868 1.00 2.04 N ATOM 289 CZ ARG A 19 4.556 -27.670 -8.382 1.00 2.79 C ATOM 290 NH1 ARG A 19 3.467 -27.268 -8.976 1.00 2.89 N ATOM 291 NH2 ARG A 19 4.870 -28.930 -8.277 1.00 3.91 N ATOM 0 H ARG A 19 1.604 -24.695 -2.733 1.00 0.21 H new ATOM 0 HA ARG A 19 1.656 -23.817 -5.438 1.00 0.28 H new ATOM 0 HB2 ARG A 19 4.041 -23.911 -5.520 1.00 0.22 H new ATOM 0 HB3 ARG A 19 4.126 -25.273 -4.421 1.00 0.22 H new ATOM 0 HG2 ARG A 19 3.628 -26.847 -6.097 1.00 0.76 H new ATOM 0 HG3 ARG A 19 2.680 -25.713 -7.037 1.00 0.76 H new ATOM 0 HD2 ARG A 19 4.545 -24.837 -8.129 1.00 0.70 H new ATOM 0 HD3 ARG A 19 5.580 -25.002 -6.725 1.00 0.70 H new ATOM 0 HE ARG A 19 6.367 -26.961 -7.843 1.00 2.04 H new ATOM 0 HH11 ARG A 19 3.256 -26.272 -9.034 1.00 2.89 H new ATOM 0 HH12 ARG A 19 2.826 -27.950 -9.383 1.00 2.89 H new ATOM 0 HH21 ARG A 19 5.730 -29.203 -7.801 1.00 3.91 H new ATOM 0 HH22 ARG A 19 4.256 -29.643 -8.670 1.00 3.91 H new ATOM 305 N GLU A 20 0.006 -25.681 -5.099 1.00 0.29 N ATOM 306 CA GLU A 20 -0.856 -26.890 -5.204 1.00 0.37 C ATOM 307 C GLU A 20 -2.079 -26.587 -6.005 1.00 0.39 C ATOM 308 O GLU A 20 -3.054 -27.291 -5.937 1.00 0.65 O ATOM 309 CB GLU A 20 -1.301 -27.292 -3.789 1.00 0.40 C ATOM 310 CG GLU A 20 -2.628 -26.583 -3.400 1.00 0.48 C ATOM 311 CD GLU A 20 -3.854 -27.483 -3.637 1.00 0.55 C ATOM 312 OE1 GLU A 20 -3.669 -28.689 -3.620 1.00 0.99 O ATOM 313 OE2 GLU A 20 -4.911 -26.905 -3.823 1.00 0.48 O ATOM 0 H GLU A 20 -0.469 -24.783 -5.195 1.00 0.29 H new ATOM 0 HA GLU A 20 -0.294 -27.690 -5.687 1.00 0.37 H new ATOM 0 HB2 GLU A 20 -1.434 -28.373 -3.739 1.00 0.40 H new ATOM 0 HB3 GLU A 20 -0.522 -27.033 -3.072 1.00 0.40 H new ATOM 0 HG2 GLU A 20 -2.589 -26.292 -2.350 1.00 0.48 H new ATOM 0 HG3 GLU A 20 -2.733 -25.667 -3.981 1.00 0.48 H new ATOM 320 N ASP A 21 -1.961 -25.584 -6.798 1.00 0.34 N ATOM 321 CA ASP A 21 -3.098 -25.166 -7.624 1.00 0.18 C ATOM 322 C ASP A 21 -3.840 -24.309 -6.624 1.00 0.06 C ATOM 323 O ASP A 21 -5.038 -24.273 -6.552 1.00 0.26 O ATOM 324 CB ASP A 21 -3.970 -26.354 -8.079 1.00 0.16 C ATOM 325 CG ASP A 21 -4.679 -25.997 -9.388 1.00 2.36 C ATOM 326 OD1 ASP A 21 -4.019 -25.393 -10.218 1.00 2.78 O ATOM 327 OD2 ASP A 21 -5.843 -26.351 -9.485 1.00 3.71 O ATOM 0 H ASP A 21 -1.114 -25.028 -6.911 1.00 0.34 H new ATOM 0 HA ASP A 21 -2.817 -24.676 -8.556 1.00 0.18 H new ATOM 0 HB2 ASP A 21 -3.351 -27.240 -8.219 1.00 0.16 H new ATOM 0 HB3 ASP A 21 -4.704 -26.595 -7.310 1.00 0.16 H new ATOM 332 N GLU A 22 -2.997 -23.785 -5.763 1.00 0.20 N ATOM 333 CA GLU A 22 -3.374 -22.885 -4.638 1.00 0.16 C ATOM 334 C GLU A 22 -2.022 -22.470 -4.020 1.00 0.19 C ATOM 335 O GLU A 22 -1.075 -23.220 -4.157 1.00 0.27 O ATOM 336 CB GLU A 22 -4.263 -23.648 -3.629 1.00 0.21 C ATOM 337 CG GLU A 22 -5.409 -22.755 -3.150 1.00 0.16 C ATOM 338 CD GLU A 22 -6.253 -23.526 -2.139 1.00 0.30 C ATOM 339 OE1 GLU A 22 -6.131 -24.740 -2.147 1.00 0.44 O ATOM 340 OE2 GLU A 22 -6.974 -22.861 -1.412 1.00 0.75 O ATOM 0 H GLU A 22 -1.994 -23.964 -5.807 1.00 0.20 H new ATOM 0 HA GLU A 22 -3.954 -22.017 -4.950 1.00 0.16 H new ATOM 0 HB2 GLU A 22 -4.664 -24.548 -4.095 1.00 0.21 H new ATOM 0 HB3 GLU A 22 -3.664 -23.971 -2.777 1.00 0.21 H new ATOM 0 HG2 GLU A 22 -5.013 -21.847 -2.695 1.00 0.16 H new ATOM 0 HG3 GLU A 22 -6.024 -22.446 -3.995 1.00 0.16 H new ATOM 347 N LEU A 23 -1.911 -21.316 -3.379 1.00 0.14 N ATOM 348 CA LEU A 23 -0.563 -20.941 -2.795 1.00 0.17 C ATOM 349 C LEU A 23 -0.609 -20.616 -1.306 1.00 0.13 C ATOM 350 O LEU A 23 -1.663 -20.420 -0.749 1.00 0.15 O ATOM 351 CB LEU A 23 -0.005 -19.671 -3.469 1.00 0.17 C ATOM 352 CG LEU A 23 -0.632 -19.442 -4.849 1.00 0.18 C ATOM 353 CD1 LEU A 23 -1.276 -18.046 -4.969 1.00 0.17 C ATOM 354 CD2 LEU A 23 0.477 -19.587 -5.882 1.00 0.22 C ATOM 0 H LEU A 23 -2.662 -20.641 -3.238 1.00 0.14 H new ATOM 0 HA LEU A 23 0.058 -21.820 -2.967 1.00 0.17 H new ATOM 0 HB2 LEU A 23 -0.198 -18.807 -2.833 1.00 0.17 H new ATOM 0 HB3 LEU A 23 1.077 -19.758 -3.570 1.00 0.17 H new ATOM 0 HG LEU A 23 -1.426 -20.171 -5.008 1.00 0.18 H new ATOM 0 HD11 LEU A 23 -1.707 -17.929 -5.963 1.00 0.17 H new ATOM 0 HD12 LEU A 23 -2.060 -17.941 -4.219 1.00 0.17 H new ATOM 0 HD13 LEU A 23 -0.517 -17.280 -4.810 1.00 0.17 H new ATOM 0 HD21 LEU A 23 0.067 -19.430 -6.880 1.00 0.22 H new ATOM 0 HD22 LEU A 23 1.254 -18.847 -5.688 1.00 0.22 H new ATOM 0 HD23 LEU A 23 0.905 -20.588 -5.818 1.00 0.22 H new ATOM 366 N THR A 24 0.569 -20.491 -0.724 1.00 0.10 N ATOM 367 CA THR A 24 0.681 -20.174 0.723 1.00 0.09 C ATOM 368 C THR A 24 0.746 -18.687 0.898 1.00 0.11 C ATOM 369 O THR A 24 1.258 -18.191 1.881 1.00 0.13 O ATOM 370 CB THR A 24 1.989 -20.750 1.279 1.00 0.09 C ATOM 371 OG1 THR A 24 2.063 -20.292 2.621 1.00 0.12 O ATOM 372 CG2 THR A 24 3.200 -20.093 0.614 1.00 0.09 C ATOM 0 H THR A 24 1.461 -20.599 -1.206 1.00 0.10 H new ATOM 0 HA THR A 24 -0.180 -20.597 1.242 1.00 0.09 H new ATOM 0 HB THR A 24 1.998 -21.831 1.137 1.00 0.09 H new ATOM 0 HG1 THR A 24 2.196 -19.321 2.628 1.00 0.12 H new ATOM 0 HG21 THR A 24 4.116 -20.518 1.025 1.00 0.09 H new ATOM 0 HG22 THR A 24 3.167 -20.272 -0.461 1.00 0.09 H new ATOM 0 HG23 THR A 24 3.181 -19.020 0.803 1.00 0.09 H new ATOM 380 N PHE A 25 0.234 -18.009 -0.071 1.00 0.11 N ATOM 381 CA PHE A 25 0.250 -16.546 0.006 1.00 0.16 C ATOM 382 C PHE A 25 -0.177 -16.108 1.399 1.00 0.16 C ATOM 383 O PHE A 25 -1.091 -16.661 1.976 1.00 0.19 O ATOM 384 CB PHE A 25 -0.681 -16.000 -1.057 1.00 0.16 C ATOM 385 CG PHE A 25 -2.086 -16.524 -0.836 1.00 0.13 C ATOM 386 CD1 PHE A 25 -2.907 -15.967 0.118 1.00 0.13 C ATOM 387 CD2 PHE A 25 -2.565 -17.525 -1.640 1.00 0.11 C ATOM 388 CE1 PHE A 25 -4.209 -16.413 0.253 1.00 0.10 C ATOM 389 CE2 PHE A 25 -3.835 -17.976 -1.524 1.00 0.10 C ATOM 390 CZ PHE A 25 -4.672 -17.422 -0.571 1.00 0.07 C ATOM 0 H PHE A 25 -0.193 -18.405 -0.909 1.00 0.11 H new ATOM 0 HA PHE A 25 1.253 -16.158 -0.173 1.00 0.16 H new ATOM 0 HB2 PHE A 25 -0.682 -14.910 -1.026 1.00 0.16 H new ATOM 0 HB3 PHE A 25 -0.327 -16.291 -2.046 1.00 0.16 H new ATOM 0 HD1 PHE A 25 -2.535 -15.183 0.760 1.00 0.13 H new ATOM 0 HD2 PHE A 25 -1.914 -17.963 -2.382 1.00 0.11 H new ATOM 0 HE1 PHE A 25 -4.859 -15.976 0.997 1.00 0.10 H new ATOM 0 HE2 PHE A 25 -4.194 -18.763 -2.171 1.00 0.10 H new ATOM 0 HZ PHE A 25 -5.687 -17.778 -0.471 1.00 0.07 H new ATOM 400 N ILE A 26 0.489 -15.120 1.902 1.00 0.17 N ATOM 401 CA ILE A 26 0.161 -14.617 3.261 1.00 0.19 C ATOM 402 C ILE A 26 -0.659 -13.344 3.215 1.00 0.22 C ATOM 403 O ILE A 26 -0.898 -12.788 2.161 1.00 0.22 O ATOM 404 CB ILE A 26 1.484 -14.316 3.957 1.00 0.23 C ATOM 405 CG1 ILE A 26 2.409 -13.584 2.977 1.00 0.36 C ATOM 406 CG2 ILE A 26 2.129 -15.653 4.343 1.00 0.10 C ATOM 407 CD1 ILE A 26 3.528 -12.860 3.738 1.00 0.40 C ATOM 0 H ILE A 26 1.252 -14.633 1.431 1.00 0.17 H new ATOM 0 HA ILE A 26 -0.427 -15.369 3.787 1.00 0.19 H new ATOM 0 HB ILE A 26 1.321 -13.697 4.839 1.00 0.23 H new ATOM 0 HG12 ILE A 26 2.840 -14.296 2.273 1.00 0.36 H new ATOM 0 HG13 ILE A 26 1.835 -12.866 2.392 1.00 0.36 H new ATOM 0 HG21 ILE A 26 3.079 -15.467 4.844 1.00 0.10 H new ATOM 0 HG22 ILE A 26 1.465 -16.197 5.015 1.00 0.10 H new ATOM 0 HG23 ILE A 26 2.302 -16.246 3.445 1.00 0.10 H new ATOM 0 HD11 ILE A 26 4.176 -12.345 3.029 1.00 0.40 H new ATOM 0 HD12 ILE A 26 3.091 -12.134 4.423 1.00 0.40 H new ATOM 0 HD13 ILE A 26 4.113 -13.586 4.303 1.00 0.40 H new ATOM 419 N LYS A 27 -1.079 -12.902 4.369 1.00 0.24 N ATOM 420 CA LYS A 27 -1.876 -11.674 4.407 1.00 0.28 C ATOM 421 C LYS A 27 -1.019 -10.509 3.987 1.00 0.24 C ATOM 422 O LYS A 27 -0.042 -10.197 4.631 1.00 0.25 O ATOM 423 CB LYS A 27 -2.387 -11.415 5.829 1.00 0.28 C ATOM 424 CG LYS A 27 -3.252 -10.138 5.820 1.00 0.39 C ATOM 425 CD LYS A 27 -3.638 -9.756 7.257 1.00 1.70 C ATOM 426 CE LYS A 27 -3.288 -8.282 7.508 1.00 1.66 C ATOM 427 NZ LYS A 27 -3.921 -7.807 8.774 1.00 1.21 N ATOM 0 H LYS A 27 -0.900 -13.343 5.271 1.00 0.24 H new ATOM 0 HA LYS A 27 -2.723 -11.787 3.731 1.00 0.28 H new ATOM 0 HB2 LYS A 27 -2.972 -12.265 6.181 1.00 0.28 H new ATOM 0 HB3 LYS A 27 -1.549 -11.299 6.516 1.00 0.28 H new ATOM 0 HG2 LYS A 27 -2.704 -9.320 5.352 1.00 0.39 H new ATOM 0 HG3 LYS A 27 -4.150 -10.301 5.224 1.00 0.39 H new ATOM 0 HD2 LYS A 27 -4.704 -9.919 7.414 1.00 1.70 H new ATOM 0 HD3 LYS A 27 -3.110 -10.392 7.968 1.00 1.70 H new ATOM 0 HE2 LYS A 27 -2.206 -8.163 7.568 1.00 1.66 H new ATOM 0 HE3 LYS A 27 -3.630 -7.673 6.672 1.00 1.66 H new ATOM 0 HZ1 LYS A 27 -3.676 -6.809 8.931 1.00 1.21 H new ATOM 0 HZ2 LYS A 27 -4.954 -7.903 8.703 1.00 1.21 H new ATOM 0 HZ3 LYS A 27 -3.574 -8.378 9.571 1.00 1.21 H new ATOM 441 N SER A 28 -1.444 -9.931 2.910 1.00 0.46 N ATOM 442 CA SER A 28 -0.771 -8.755 2.292 1.00 0.50 C ATOM 443 C SER A 28 -0.386 -9.098 0.866 1.00 0.46 C ATOM 444 O SER A 28 0.044 -8.250 0.114 1.00 0.53 O ATOM 445 CB SER A 28 0.499 -8.334 3.053 1.00 0.57 C ATOM 446 OG SER A 28 0.985 -7.222 2.314 1.00 0.93 O ATOM 0 H SER A 28 -2.274 -10.239 2.403 1.00 0.46 H new ATOM 0 HA SER A 28 -1.474 -7.923 2.327 1.00 0.50 H new ATOM 0 HB2 SER A 28 0.275 -8.062 4.084 1.00 0.57 H new ATOM 0 HB3 SER A 28 1.230 -9.141 3.088 1.00 0.57 H new ATOM 0 HG SER A 28 0.531 -7.182 1.446 1.00 0.93 H new ATOM 452 N ALA A 29 -0.531 -10.353 0.529 1.00 0.39 N ATOM 453 CA ALA A 29 -0.183 -10.774 -0.848 1.00 0.38 C ATOM 454 C ALA A 29 -1.043 -9.980 -1.814 1.00 0.33 C ATOM 455 O ALA A 29 -2.225 -9.831 -1.581 1.00 0.32 O ATOM 456 CB ALA A 29 -0.500 -12.265 -0.999 1.00 0.40 C ATOM 0 H ALA A 29 -0.872 -11.092 1.144 1.00 0.39 H new ATOM 0 HA ALA A 29 0.874 -10.600 -1.052 1.00 0.38 H new ATOM 0 HB1 ALA A 29 -0.249 -12.590 -2.009 1.00 0.40 H new ATOM 0 HB2 ALA A 29 0.085 -12.836 -0.278 1.00 0.40 H new ATOM 0 HB3 ALA A 29 -1.562 -12.431 -0.818 1.00 0.40 H new ATOM 462 N ILE A 30 -0.456 -9.497 -2.878 1.00 0.33 N ATOM 463 CA ILE A 30 -1.260 -8.708 -3.847 1.00 0.34 C ATOM 464 C ILE A 30 -1.394 -9.434 -5.174 1.00 0.41 C ATOM 465 O ILE A 30 -0.998 -8.937 -6.210 1.00 1.18 O ATOM 466 CB ILE A 30 -0.573 -7.360 -4.073 1.00 0.35 C ATOM 467 CG1 ILE A 30 0.057 -6.866 -2.771 1.00 0.35 C ATOM 468 CG2 ILE A 30 -1.648 -6.352 -4.502 1.00 0.43 C ATOM 469 CD1 ILE A 30 1.524 -7.300 -2.720 1.00 2.13 C ATOM 0 H ILE A 30 0.530 -9.614 -3.113 1.00 0.33 H new ATOM 0 HA ILE A 30 -2.260 -8.566 -3.437 1.00 0.34 H new ATOM 0 HB ILE A 30 0.203 -7.464 -4.831 1.00 0.35 H new ATOM 0 HG12 ILE A 30 -0.015 -5.780 -2.708 1.00 0.35 H new ATOM 0 HG13 ILE A 30 -0.484 -7.271 -1.916 1.00 0.35 H new ATOM 0 HG21 ILE A 30 -1.187 -5.379 -4.671 1.00 0.43 H new ATOM 0 HG22 ILE A 30 -2.121 -6.694 -5.422 1.00 0.43 H new ATOM 0 HG23 ILE A 30 -2.400 -6.266 -3.718 1.00 0.43 H new ATOM 0 HD11 ILE A 30 1.975 -6.949 -1.792 1.00 2.13 H new ATOM 0 HD12 ILE A 30 1.583 -8.388 -2.763 1.00 2.13 H new ATOM 0 HD13 ILE A 30 2.059 -6.873 -3.568 1.00 2.13 H new ATOM 481 N ILE A 31 -1.963 -10.598 -5.109 1.00 0.43 N ATOM 482 CA ILE A 31 -2.145 -11.391 -6.343 1.00 0.32 C ATOM 483 C ILE A 31 -2.699 -10.491 -7.455 1.00 0.33 C ATOM 484 O ILE A 31 -3.462 -9.587 -7.176 1.00 0.36 O ATOM 485 CB ILE A 31 -3.145 -12.496 -6.023 1.00 0.24 C ATOM 486 CG1 ILE A 31 -2.634 -13.306 -4.825 1.00 0.22 C ATOM 487 CG2 ILE A 31 -3.255 -13.413 -7.245 1.00 0.17 C ATOM 488 CD1 ILE A 31 -3.652 -14.380 -4.443 1.00 0.13 C ATOM 0 H ILE A 31 -2.309 -11.033 -4.254 1.00 0.43 H new ATOM 0 HA ILE A 31 -1.199 -11.813 -6.682 1.00 0.32 H new ATOM 0 HB ILE A 31 -4.119 -12.069 -5.782 1.00 0.24 H new ATOM 0 HG12 ILE A 31 -1.679 -13.770 -5.071 1.00 0.22 H new ATOM 0 HG13 ILE A 31 -2.457 -12.644 -3.977 1.00 0.22 H new ATOM 0 HG21 ILE A 31 -3.967 -14.212 -7.037 1.00 0.17 H new ATOM 0 HG22 ILE A 31 -3.598 -12.836 -8.103 1.00 0.17 H new ATOM 0 HG23 ILE A 31 -2.279 -13.845 -7.465 1.00 0.17 H new ATOM 0 HD11 ILE A 31 -3.279 -14.949 -3.591 1.00 0.13 H new ATOM 0 HD12 ILE A 31 -4.597 -13.907 -4.177 1.00 0.13 H new ATOM 0 HD13 ILE A 31 -3.807 -15.051 -5.288 1.00 0.13 H new ATOM 500 N GLN A 32 -2.317 -10.746 -8.689 1.00 0.31 N ATOM 501 CA GLN A 32 -2.827 -9.892 -9.812 1.00 0.37 C ATOM 502 C GLN A 32 -3.712 -10.688 -10.763 1.00 0.38 C ATOM 503 O GLN A 32 -3.598 -11.894 -10.860 1.00 0.37 O ATOM 504 CB GLN A 32 -1.627 -9.362 -10.595 1.00 0.40 C ATOM 505 CG GLN A 32 -0.680 -10.522 -10.877 1.00 2.04 C ATOM 506 CD GLN A 32 0.499 -10.455 -9.904 1.00 2.67 C ATOM 507 OE1 GLN A 32 1.321 -9.444 -9.976 1.00 4.06 O flip ATOM 508 NE2 GLN A 32 0.681 -11.319 -9.071 1.00 2.73 N flip ATOM 0 H GLN A 32 -1.684 -11.497 -8.963 1.00 0.31 H new ATOM 0 HA GLN A 32 -3.420 -9.081 -9.389 1.00 0.37 H new ATOM 0 HB2 GLN A 32 -1.956 -8.907 -11.529 1.00 0.40 H new ATOM 0 HB3 GLN A 32 -1.116 -8.586 -10.025 1.00 0.40 H new ATOM 0 HG2 GLN A 32 -1.205 -11.471 -10.767 1.00 2.04 H new ATOM 0 HG3 GLN A 32 -0.322 -10.473 -11.905 1.00 2.04 H new ATOM 0 HE21 GLN A 32 0.042 -12.111 -9.010 1.00 2.73 H new ATOM 0 HE22 GLN A 32 1.473 -11.252 -8.432 1.00 2.73 H new ATOM 517 N ASN A 33 -4.579 -9.993 -11.455 1.00 0.48 N ATOM 518 CA ASN A 33 -5.473 -10.694 -12.396 1.00 0.53 C ATOM 519 C ASN A 33 -6.288 -11.690 -11.612 1.00 0.44 C ATOM 520 O ASN A 33 -5.808 -12.753 -11.270 1.00 0.44 O ATOM 521 CB ASN A 33 -4.632 -11.425 -13.446 1.00 0.55 C ATOM 522 CG ASN A 33 -5.492 -11.663 -14.689 1.00 0.79 C ATOM 523 OD1 ASN A 33 -6.206 -12.753 -14.765 1.00 1.24 O flip ATOM 524 ND2 ASN A 33 -5.524 -10.856 -15.598 1.00 1.70 N flip ATOM 0 H ASN A 33 -4.698 -8.981 -11.403 1.00 0.48 H new ATOM 0 HA ASN A 33 -6.130 -9.985 -12.901 1.00 0.53 H new ATOM 0 HB2 ASN A 33 -3.753 -10.834 -13.703 1.00 0.55 H new ATOM 0 HB3 ASN A 33 -4.273 -12.374 -13.048 1.00 0.55 H new ATOM 0 HD21 ASN A 33 -4.968 -10.003 -15.542 1.00 1.70 H new ATOM 0 HD22 ASN A 33 -6.107 -11.032 -16.416 1.00 1.70 H new ATOM 531 N VAL A 34 -7.506 -11.319 -11.340 1.00 0.38 N ATOM 532 CA VAL A 34 -8.382 -12.229 -10.563 1.00 0.30 C ATOM 533 C VAL A 34 -9.762 -12.457 -11.183 1.00 0.30 C ATOM 534 O VAL A 34 -10.236 -11.683 -11.993 1.00 0.33 O ATOM 535 CB VAL A 34 -8.504 -11.567 -9.188 1.00 0.23 C ATOM 536 CG1 VAL A 34 -9.964 -11.418 -8.748 1.00 0.17 C ATOM 537 CG2 VAL A 34 -7.738 -12.420 -8.201 1.00 0.21 C ATOM 0 H VAL A 34 -7.928 -10.433 -11.620 1.00 0.38 H new ATOM 0 HA VAL A 34 -7.947 -13.228 -10.528 1.00 0.30 H new ATOM 0 HB VAL A 34 -8.093 -10.559 -9.235 1.00 0.23 H new ATOM 0 HG11 VAL A 34 -10.002 -10.944 -7.767 1.00 0.17 H new ATOM 0 HG12 VAL A 34 -10.501 -10.802 -9.470 1.00 0.17 H new ATOM 0 HG13 VAL A 34 -10.430 -12.402 -8.693 1.00 0.17 H new ATOM 0 HG21 VAL A 34 -7.804 -11.976 -7.208 1.00 0.21 H new ATOM 0 HG22 VAL A 34 -8.164 -13.423 -8.179 1.00 0.21 H new ATOM 0 HG23 VAL A 34 -6.692 -12.477 -8.504 1.00 0.21 H new ATOM 547 N GLU A 35 -10.373 -13.542 -10.761 1.00 0.27 N ATOM 548 CA GLU A 35 -11.724 -13.901 -11.269 1.00 0.29 C ATOM 549 C GLU A 35 -12.276 -15.123 -10.522 1.00 0.29 C ATOM 550 O GLU A 35 -11.866 -16.239 -10.775 1.00 0.25 O ATOM 551 CB GLU A 35 -11.601 -14.258 -12.755 1.00 0.31 C ATOM 552 CG GLU A 35 -13.002 -14.367 -13.360 1.00 0.71 C ATOM 553 CD GLU A 35 -12.890 -14.567 -14.873 1.00 0.44 C ATOM 554 OE1 GLU A 35 -12.042 -15.357 -15.254 1.00 1.74 O ATOM 555 OE2 GLU A 35 -13.660 -13.918 -15.562 1.00 1.44 O ATOM 0 H GLU A 35 -9.984 -14.195 -10.081 1.00 0.27 H new ATOM 0 HA GLU A 35 -12.398 -13.057 -11.118 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -11.023 -13.496 -13.278 1.00 0.31 H new ATOM 0 HB3 GLU A 35 -11.066 -15.200 -12.873 1.00 0.31 H new ATOM 0 HG2 GLU A 35 -13.540 -15.202 -12.911 1.00 0.71 H new ATOM 0 HG3 GLU A 35 -13.575 -13.465 -13.143 1.00 0.71 H new ATOM 562 N LYS A 36 -13.190 -14.890 -9.609 1.00 0.33 N ATOM 563 CA LYS A 36 -13.778 -16.030 -8.836 1.00 0.35 C ATOM 564 C LYS A 36 -14.055 -17.218 -9.744 1.00 0.30 C ATOM 565 O LYS A 36 -14.124 -17.081 -10.949 1.00 0.26 O ATOM 566 CB LYS A 36 -15.110 -15.597 -8.189 1.00 0.37 C ATOM 567 CG LYS A 36 -15.415 -14.126 -8.498 1.00 0.51 C ATOM 568 CD LYS A 36 -14.460 -13.235 -7.699 1.00 2.18 C ATOM 569 CE LYS A 36 -14.224 -11.935 -8.470 1.00 2.70 C ATOM 570 NZ LYS A 36 -15.514 -11.223 -8.697 1.00 1.50 N ATOM 0 H LYS A 36 -13.552 -13.967 -9.367 1.00 0.33 H new ATOM 0 HA LYS A 36 -13.058 -16.318 -8.070 1.00 0.35 H new ATOM 0 HB2 LYS A 36 -15.920 -16.226 -8.558 1.00 0.37 H new ATOM 0 HB3 LYS A 36 -15.060 -15.743 -7.110 1.00 0.37 H new ATOM 0 HG2 LYS A 36 -15.302 -13.935 -9.565 1.00 0.51 H new ATOM 0 HG3 LYS A 36 -16.449 -13.895 -8.240 1.00 0.51 H new ATOM 0 HD2 LYS A 36 -14.881 -13.019 -6.717 1.00 2.18 H new ATOM 0 HD3 LYS A 36 -13.514 -13.751 -7.534 1.00 2.18 H new ATOM 0 HE2 LYS A 36 -13.541 -11.294 -7.913 1.00 2.70 H new ATOM 0 HE3 LYS A 36 -13.749 -12.153 -9.426 1.00 2.70 H new ATOM 0 HZ1 LYS A 36 -15.323 -10.242 -8.986 1.00 1.50 H new ATOM 0 HZ2 LYS A 36 -16.050 -11.707 -9.445 1.00 1.50 H new ATOM 0 HZ3 LYS A 36 -16.070 -11.222 -7.818 1.00 1.50 H new ATOM 623 N GLY A 40 -16.527 -19.712 -5.862 1.00 0.85 N ATOM 624 CA GLY A 40 -15.879 -18.984 -4.724 1.00 0.34 C ATOM 625 C GLY A 40 -14.376 -19.242 -4.678 1.00 0.26 C ATOM 626 O GLY A 40 -13.808 -19.389 -3.614 1.00 0.24 O ATOM 0 HA2 GLY A 40 -16.063 -17.914 -4.824 1.00 0.34 H new ATOM 0 HA3 GLY A 40 -16.332 -19.299 -3.784 1.00 0.34 H new ATOM 630 N TRP A 41 -13.765 -19.300 -5.832 1.00 0.28 N ATOM 631 CA TRP A 41 -12.298 -19.546 -5.880 1.00 0.26 C ATOM 632 C TRP A 41 -11.707 -18.540 -6.834 1.00 0.31 C ATOM 633 O TRP A 41 -12.202 -18.350 -7.916 1.00 0.41 O ATOM 634 CB TRP A 41 -12.066 -20.999 -6.277 1.00 0.33 C ATOM 635 CG TRP A 41 -12.657 -21.781 -5.105 1.00 0.30 C ATOM 636 CD1 TRP A 41 -13.975 -21.996 -4.959 1.00 0.31 C ATOM 637 CD2 TRP A 41 -12.047 -21.965 -3.923 1.00 0.26 C ATOM 638 NE1 TRP A 41 -14.118 -22.274 -3.663 1.00 0.29 N ATOM 639 CE2 TRP A 41 -12.974 -22.265 -2.942 1.00 0.26 C ATOM 640 CE3 TRP A 41 -10.710 -21.870 -3.593 1.00 0.23 C ATOM 641 CZ2 TRP A 41 -12.573 -22.440 -1.631 1.00 0.26 C ATOM 642 CZ3 TRP A 41 -10.304 -22.057 -2.286 1.00 0.18 C ATOM 643 CH2 TRP A 41 -11.242 -22.335 -1.296 1.00 0.22 C ATOM 0 H TRP A 41 -14.218 -19.188 -6.739 1.00 0.28 H new ATOM 0 HA TRP A 41 -11.805 -19.411 -4.917 1.00 0.26 H new ATOM 0 HB2 TRP A 41 -12.563 -21.244 -7.216 1.00 0.33 H new ATOM 0 HB3 TRP A 41 -11.006 -21.215 -6.411 1.00 0.33 H new ATOM 0 HD1 TRP A 41 -14.743 -21.953 -5.717 1.00 0.31 H new ATOM 0 HE1 TRP A 41 -15.026 -22.479 -3.245 1.00 0.29 H new ATOM 0 HE3 TRP A 41 -9.980 -21.649 -4.358 1.00 0.23 H new ATOM 0 HZ2 TRP A 41 -13.305 -22.660 -0.868 1.00 0.26 H new ATOM 0 HZ3 TRP A 41 -9.257 -21.987 -2.032 1.00 0.18 H new ATOM 0 HH2 TRP A 41 -10.928 -22.468 -0.271 1.00 0.22 H new ATOM 654 N TRP A 42 -10.649 -17.925 -6.409 1.00 0.24 N ATOM 655 CA TRP A 42 -9.994 -16.900 -7.246 1.00 0.29 C ATOM 656 C TRP A 42 -8.682 -17.324 -7.903 1.00 0.32 C ATOM 657 O TRP A 42 -7.964 -18.111 -7.356 1.00 0.50 O ATOM 658 CB TRP A 42 -9.631 -15.814 -6.247 1.00 0.27 C ATOM 659 CG TRP A 42 -10.898 -15.224 -5.649 1.00 0.25 C ATOM 660 CD1 TRP A 42 -11.941 -15.964 -5.237 1.00 0.24 C ATOM 661 CD2 TRP A 42 -11.181 -13.933 -5.568 1.00 0.27 C ATOM 662 NE1 TRP A 42 -12.851 -15.050 -4.961 1.00 0.25 N ATOM 663 CE2 TRP A 42 -12.471 -13.785 -5.116 1.00 0.27 C ATOM 664 CE3 TRP A 42 -10.395 -12.819 -5.745 1.00 0.29 C ATOM 665 CZ2 TRP A 42 -12.998 -12.562 -4.843 1.00 0.28 C ATOM 666 CZ3 TRP A 42 -10.927 -11.567 -5.458 1.00 0.32 C ATOM 667 CH2 TRP A 42 -12.227 -11.443 -5.012 1.00 0.31 C ATOM 0 H TRP A 42 -10.206 -18.092 -5.506 1.00 0.24 H new ATOM 0 HA TRP A 42 -10.666 -16.636 -8.062 1.00 0.29 H new ATOM 0 HB2 TRP A 42 -9.003 -16.228 -5.458 1.00 0.27 H new ATOM 0 HB3 TRP A 42 -9.051 -15.033 -6.739 1.00 0.27 H new ATOM 0 HD1 TRP A 42 -12.016 -17.038 -5.153 1.00 0.24 H new ATOM 0 HE1 TRP A 42 -13.789 -15.298 -4.648 1.00 0.25 H new ATOM 0 HE3 TRP A 42 -9.380 -12.915 -6.101 1.00 0.29 H new ATOM 0 HZ2 TRP A 42 -14.017 -12.474 -4.496 1.00 0.28 H new ATOM 0 HZ3 TRP A 42 -10.318 -10.684 -5.585 1.00 0.32 H new ATOM 0 HH2 TRP A 42 -12.635 -10.466 -4.797 1.00 0.31 H new ATOM 678 N ARG A 43 -8.380 -16.737 -9.042 1.00 0.16 N ATOM 679 CA ARG A 43 -7.108 -17.085 -9.753 1.00 0.16 C ATOM 680 C ARG A 43 -6.211 -15.850 -9.814 1.00 0.16 C ATOM 681 O ARG A 43 -6.599 -14.793 -9.369 1.00 0.17 O ATOM 682 CB ARG A 43 -7.395 -17.513 -11.187 1.00 0.17 C ATOM 683 CG ARG A 43 -6.965 -18.972 -11.376 1.00 0.17 C ATOM 684 CD ARG A 43 -7.187 -19.391 -12.834 1.00 0.26 C ATOM 685 NE ARG A 43 -7.801 -18.265 -13.592 1.00 2.90 N ATOM 686 CZ ARG A 43 -8.166 -18.455 -14.831 1.00 3.34 C ATOM 687 NH1 ARG A 43 -7.382 -19.139 -15.621 1.00 3.79 N ATOM 688 NH2 ARG A 43 -9.300 -17.958 -15.239 1.00 3.36 N ATOM 0 H ARG A 43 -8.958 -16.036 -9.506 1.00 0.16 H new ATOM 0 HA ARG A 43 -6.626 -17.899 -9.211 1.00 0.16 H new ATOM 0 HB2 ARG A 43 -8.457 -17.404 -11.406 1.00 0.17 H new ATOM 0 HB3 ARG A 43 -6.858 -16.870 -11.885 1.00 0.17 H new ATOM 0 HG2 ARG A 43 -5.915 -19.089 -11.110 1.00 0.17 H new ATOM 0 HG3 ARG A 43 -7.537 -19.619 -10.710 1.00 0.17 H new ATOM 0 HD2 ARG A 43 -6.238 -19.674 -13.290 1.00 0.26 H new ATOM 0 HD3 ARG A 43 -7.835 -20.267 -12.876 1.00 0.26 H new ATOM 0 HE ARG A 43 -7.935 -17.356 -13.148 1.00 2.90 H new ATOM 0 HH11 ARG A 43 -6.502 -19.514 -15.267 1.00 3.79 H new ATOM 0 HH12 ARG A 43 -7.650 -19.298 -16.592 1.00 3.79 H new ATOM 0 HH21 ARG A 43 -9.887 -17.430 -14.593 1.00 3.36 H new ATOM 0 HH22 ARG A 43 -9.600 -18.097 -16.204 1.00 3.36 H new ATOM 702 N GLY A 44 -5.025 -15.999 -10.368 1.00 0.15 N ATOM 703 CA GLY A 44 -4.091 -14.833 -10.462 1.00 0.15 C ATOM 704 C GLY A 44 -2.680 -15.256 -10.019 1.00 0.11 C ATOM 705 O GLY A 44 -2.513 -16.036 -9.103 1.00 0.11 O ATOM 0 H GLY A 44 -4.669 -16.873 -10.755 1.00 0.15 H new ATOM 0 HA2 GLY A 44 -4.064 -14.459 -11.486 1.00 0.15 H new ATOM 0 HA3 GLY A 44 -4.449 -14.017 -9.834 1.00 0.15 H new ATOM 709 N ASP A 45 -1.702 -14.727 -10.683 1.00 0.10 N ATOM 710 CA ASP A 45 -0.287 -15.069 -10.343 1.00 0.09 C ATOM 711 C ASP A 45 0.107 -14.601 -8.945 1.00 0.11 C ATOM 712 O ASP A 45 -0.461 -13.680 -8.401 1.00 0.15 O ATOM 713 CB ASP A 45 0.625 -14.363 -11.355 1.00 0.13 C ATOM 714 CG ASP A 45 2.050 -14.294 -10.799 1.00 1.55 C ATOM 715 OD1 ASP A 45 2.324 -13.312 -10.132 1.00 2.36 O ATOM 716 OD2 ASP A 45 2.787 -15.225 -11.077 1.00 2.28 O ATOM 0 H ASP A 45 -1.814 -14.067 -11.453 1.00 0.10 H new ATOM 0 HA ASP A 45 -0.185 -16.154 -10.375 1.00 0.09 H new ATOM 0 HB2 ASP A 45 0.619 -14.901 -12.303 1.00 0.13 H new ATOM 0 HB3 ASP A 45 0.253 -13.358 -11.556 1.00 0.13 H new ATOM 721 N TYR A 46 1.099 -15.248 -8.406 1.00 0.14 N ATOM 722 CA TYR A 46 1.581 -14.892 -7.048 1.00 0.18 C ATOM 723 C TYR A 46 2.982 -15.459 -6.826 1.00 0.14 C ATOM 724 O TYR A 46 3.250 -16.076 -5.815 1.00 0.22 O ATOM 725 CB TYR A 46 0.632 -15.513 -6.020 1.00 0.27 C ATOM 726 CG TYR A 46 1.022 -14.973 -4.650 1.00 0.38 C ATOM 727 CD1 TYR A 46 1.027 -13.611 -4.432 1.00 0.42 C ATOM 728 CD2 TYR A 46 1.554 -15.806 -3.681 1.00 0.48 C ATOM 729 CE1 TYR A 46 1.570 -13.088 -3.302 1.00 0.52 C ATOM 730 CE2 TYR A 46 2.103 -15.273 -2.543 1.00 0.59 C ATOM 731 CZ TYR A 46 2.114 -13.908 -2.337 1.00 0.60 C ATOM 732 OH TYR A 46 2.657 -13.378 -1.184 1.00 0.71 O ATOM 0 H TYR A 46 1.600 -16.015 -8.853 1.00 0.14 H new ATOM 0 HA TYR A 46 1.610 -13.807 -6.943 1.00 0.18 H new ATOM 0 HB2 TYR A 46 -0.403 -15.260 -6.251 1.00 0.27 H new ATOM 0 HB3 TYR A 46 0.706 -16.600 -6.038 1.00 0.27 H new ATOM 0 HD1 TYR A 46 0.593 -12.952 -5.169 1.00 0.42 H new ATOM 0 HD2 TYR A 46 1.537 -16.877 -3.821 1.00 0.48 H new ATOM 0 HE1 TYR A 46 1.575 -12.018 -3.158 1.00 0.52 H new ATOM 0 HE2 TYR A 46 2.532 -15.929 -1.799 1.00 0.59 H new ATOM 0 HH TYR A 46 2.993 -14.103 -0.617 1.00 0.71 H new ATOM 778 N LYS A 50 1.638 -19.127 -12.383 1.00 0.19 N ATOM 779 CA LYS A 50 0.710 -18.147 -13.015 1.00 0.14 C ATOM 780 C LYS A 50 -0.762 -18.553 -12.940 1.00 0.09 C ATOM 781 O LYS A 50 -1.245 -19.354 -13.715 1.00 0.13 O ATOM 782 CB LYS A 50 1.098 -17.961 -14.488 1.00 0.19 C ATOM 783 CG LYS A 50 1.198 -16.458 -14.781 1.00 0.46 C ATOM 784 CD LYS A 50 1.249 -16.241 -16.298 1.00 0.89 C ATOM 785 CE LYS A 50 1.759 -14.826 -16.595 1.00 1.42 C ATOM 786 NZ LYS A 50 0.914 -14.173 -17.635 1.00 1.24 N ATOM 0 HA LYS A 50 0.811 -17.219 -12.452 1.00 0.14 H new ATOM 0 HB2 LYS A 50 2.050 -18.451 -14.693 1.00 0.19 H new ATOM 0 HB3 LYS A 50 0.355 -18.424 -15.137 1.00 0.19 H new ATOM 0 HG2 LYS A 50 0.342 -15.935 -14.356 1.00 0.46 H new ATOM 0 HG3 LYS A 50 2.090 -16.043 -14.312 1.00 0.46 H new ATOM 0 HD2 LYS A 50 1.904 -16.980 -16.760 1.00 0.89 H new ATOM 0 HD3 LYS A 50 0.258 -16.380 -16.730 1.00 0.89 H new ATOM 0 HE2 LYS A 50 1.748 -14.230 -15.682 1.00 1.42 H new ATOM 0 HE3 LYS A 50 2.794 -14.870 -16.934 1.00 1.42 H new ATOM 0 HZ1 LYS A 50 1.274 -13.216 -17.824 1.00 1.24 H new ATOM 0 HZ2 LYS A 50 0.946 -14.734 -18.510 1.00 1.24 H new ATOM 0 HZ3 LYS A 50 -0.068 -14.114 -17.297 1.00 1.24 H new ATOM 800 N GLN A 51 -1.419 -17.988 -11.969 1.00 0.03 N ATOM 801 CA GLN A 51 -2.867 -18.252 -11.743 1.00 0.08 C ATOM 802 C GLN A 51 -3.194 -19.614 -11.166 1.00 0.06 C ATOM 803 O GLN A 51 -3.497 -20.546 -11.884 1.00 0.05 O ATOM 804 CB GLN A 51 -3.629 -18.095 -13.065 1.00 0.18 C ATOM 805 CG GLN A 51 -3.067 -16.904 -13.842 1.00 0.24 C ATOM 806 CD GLN A 51 -4.221 -16.126 -14.485 1.00 0.38 C ATOM 807 OE1 GLN A 51 -5.304 -16.767 -14.843 1.00 2.08 O flip ATOM 808 NE2 GLN A 51 -4.147 -14.929 -14.669 1.00 1.65 N flip ATOM 0 H GLN A 51 -1.002 -17.336 -11.304 1.00 0.03 H new ATOM 0 HA GLN A 51 -3.174 -17.520 -10.996 1.00 0.08 H new ATOM 0 HB2 GLN A 51 -3.539 -19.005 -13.659 1.00 0.18 H new ATOM 0 HB3 GLN A 51 -4.691 -17.946 -12.869 1.00 0.18 H new ATOM 0 HG2 GLN A 51 -2.503 -16.253 -13.174 1.00 0.24 H new ATOM 0 HG3 GLN A 51 -2.375 -17.250 -14.610 1.00 0.24 H new ATOM 0 HE21 GLN A 51 -3.306 -14.422 -14.393 1.00 1.65 H new ATOM 0 HE22 GLN A 51 -4.925 -14.430 -15.100 1.00 1.65 H new ATOM 817 N LEU A 52 -3.129 -19.686 -9.868 1.00 0.08 N ATOM 818 CA LEU A 52 -3.440 -20.957 -9.181 1.00 0.12 C ATOM 819 C LEU A 52 -4.810 -20.748 -8.552 1.00 0.12 C ATOM 820 O LEU A 52 -5.770 -20.550 -9.273 1.00 0.15 O ATOM 821 CB LEU A 52 -2.373 -21.253 -8.103 1.00 0.17 C ATOM 822 CG LEU A 52 -0.973 -21.300 -8.748 1.00 0.20 C ATOM 823 CD1 LEU A 52 -0.009 -21.999 -7.793 1.00 0.26 C ATOM 824 CD2 LEU A 52 -0.999 -22.086 -10.061 1.00 0.21 C ATOM 0 H LEU A 52 -2.872 -18.913 -9.255 1.00 0.08 H new ATOM 0 HA LEU A 52 -3.441 -21.807 -9.863 1.00 0.12 H new ATOM 0 HB2 LEU A 52 -2.401 -20.485 -7.330 1.00 0.17 H new ATOM 0 HB3 LEU A 52 -2.590 -22.203 -7.615 1.00 0.17 H new ATOM 0 HG LEU A 52 -0.654 -20.277 -8.950 1.00 0.20 H new ATOM 0 HD11 LEU A 52 0.984 -22.037 -8.241 1.00 0.26 H new ATOM 0 HD12 LEU A 52 0.037 -21.447 -6.854 1.00 0.26 H new ATOM 0 HD13 LEU A 52 -0.359 -23.013 -7.601 1.00 0.26 H new ATOM 0 HD21 LEU A 52 0.001 -22.103 -10.495 1.00 0.21 H new ATOM 0 HD22 LEU A 52 -1.328 -23.107 -9.867 1.00 0.21 H new ATOM 0 HD23 LEU A 52 -1.688 -21.608 -10.757 1.00 0.21 H new ATOM 836 N TRP A 53 -4.912 -20.767 -7.250 1.00 0.13 N ATOM 837 CA TRP A 53 -6.270 -20.554 -6.672 1.00 0.16 C ATOM 838 C TRP A 53 -6.281 -20.027 -5.251 1.00 0.12 C ATOM 839 O TRP A 53 -5.436 -20.368 -4.449 1.00 0.13 O ATOM 840 CB TRP A 53 -6.998 -21.878 -6.644 1.00 0.26 C ATOM 841 CG TRP A 53 -7.346 -22.235 -8.079 1.00 0.28 C ATOM 842 CD1 TRP A 53 -6.686 -23.138 -8.813 1.00 0.29 C ATOM 843 CD2 TRP A 53 -8.298 -21.650 -8.803 1.00 0.30 C ATOM 844 NE1 TRP A 53 -7.296 -23.067 -10.003 1.00 0.30 N ATOM 845 CE2 TRP A 53 -8.307 -22.162 -10.083 1.00 0.30 C ATOM 846 CE3 TRP A 53 -9.150 -20.614 -8.465 1.00 0.34 C ATOM 847 CZ2 TRP A 53 -9.171 -21.642 -11.025 1.00 0.31 C ATOM 848 CZ3 TRP A 53 -10.002 -20.091 -9.415 1.00 0.37 C ATOM 849 CH2 TRP A 53 -10.014 -20.606 -10.694 1.00 0.36 C ATOM 0 H TRP A 53 -4.151 -20.914 -6.587 1.00 0.13 H new ATOM 0 HA TRP A 53 -6.741 -19.804 -7.307 1.00 0.16 H new ATOM 0 HB2 TRP A 53 -6.372 -22.651 -6.197 1.00 0.26 H new ATOM 0 HB3 TRP A 53 -7.900 -21.807 -6.036 1.00 0.26 H new ATOM 0 HD1 TRP A 53 -5.862 -23.770 -8.518 1.00 0.29 H new ATOM 0 HE1 TRP A 53 -7.021 -23.651 -10.793 1.00 0.30 H new ATOM 0 HE3 TRP A 53 -9.148 -20.216 -7.461 1.00 0.34 H new ATOM 0 HZ2 TRP A 53 -9.186 -22.049 -12.025 1.00 0.31 H new ATOM 0 HZ3 TRP A 53 -10.662 -19.276 -9.156 1.00 0.37 H new ATOM 0 HH2 TRP A 53 -10.684 -20.197 -11.435 1.00 0.36 H new ATOM 860 N PHE A 54 -7.225 -19.160 -4.982 1.00 0.12 N ATOM 861 CA PHE A 54 -7.333 -18.594 -3.615 1.00 0.10 C ATOM 862 C PHE A 54 -8.822 -18.521 -3.230 1.00 0.06 C ATOM 863 O PHE A 54 -9.615 -17.977 -3.963 1.00 0.09 O ATOM 864 CB PHE A 54 -6.781 -17.159 -3.522 1.00 0.13 C ATOM 865 CG PHE A 54 -6.125 -16.709 -4.796 1.00 0.10 C ATOM 866 CD1 PHE A 54 -5.077 -17.415 -5.328 1.00 0.07 C ATOM 867 CD2 PHE A 54 -6.601 -15.594 -5.453 1.00 0.15 C ATOM 868 CE1 PHE A 54 -4.522 -17.029 -6.511 1.00 0.04 C ATOM 869 CE2 PHE A 54 -6.056 -15.204 -6.623 1.00 0.15 C ATOM 870 CZ PHE A 54 -5.004 -15.925 -7.167 1.00 0.08 C ATOM 0 H PHE A 54 -7.919 -18.825 -5.650 1.00 0.12 H new ATOM 0 HA PHE A 54 -6.754 -19.240 -2.955 1.00 0.10 H new ATOM 0 HB2 PHE A 54 -7.594 -16.476 -3.275 1.00 0.13 H new ATOM 0 HB3 PHE A 54 -6.060 -17.103 -2.707 1.00 0.13 H new ATOM 0 HD1 PHE A 54 -4.690 -18.279 -4.808 1.00 0.07 H new ATOM 0 HD2 PHE A 54 -7.417 -15.029 -5.027 1.00 0.15 H new ATOM 0 HE1 PHE A 54 -3.702 -17.592 -6.932 1.00 0.04 H new ATOM 0 HE2 PHE A 54 -6.438 -14.333 -7.135 1.00 0.15 H new ATOM 0 HZ PHE A 54 -4.565 -15.618 -8.105 1.00 0.08 H new ATOM 880 N PRO A 55 -9.185 -19.051 -2.089 1.00 0.04 N ATOM 881 CA PRO A 55 -10.588 -19.030 -1.641 1.00 0.05 C ATOM 882 C PRO A 55 -11.236 -17.654 -1.649 1.00 0.09 C ATOM 883 O PRO A 55 -10.590 -16.641 -1.478 1.00 0.18 O ATOM 884 CB PRO A 55 -10.520 -19.471 -0.190 1.00 0.11 C ATOM 885 CG PRO A 55 -9.109 -20.099 0.036 1.00 0.08 C ATOM 886 CD PRO A 55 -8.250 -19.688 -1.140 1.00 0.04 C ATOM 0 HA PRO A 55 -11.181 -19.652 -2.312 1.00 0.05 H new ATOM 0 HB2 PRO A 55 -10.675 -18.623 0.477 1.00 0.11 H new ATOM 0 HB3 PRO A 55 -11.304 -20.196 0.029 1.00 0.11 H new ATOM 0 HG2 PRO A 55 -8.675 -19.747 0.972 1.00 0.08 H new ATOM 0 HG3 PRO A 55 -9.176 -21.185 0.104 1.00 0.08 H new ATOM 0 HD2 PRO A 55 -7.466 -18.996 -0.834 1.00 0.04 H new ATOM 0 HD3 PRO A 55 -7.757 -20.550 -1.590 1.00 0.04 H new ATOM 894 N SER A 56 -12.521 -17.675 -1.853 1.00 0.10 N ATOM 895 CA SER A 56 -13.295 -16.420 -1.877 1.00 0.14 C ATOM 896 C SER A 56 -13.709 -16.246 -0.435 1.00 0.25 C ATOM 897 O SER A 56 -14.503 -15.398 -0.070 1.00 0.31 O ATOM 898 CB SER A 56 -14.548 -16.606 -2.743 1.00 0.15 C ATOM 899 OG SER A 56 -15.413 -15.557 -2.333 1.00 1.94 O ATOM 0 H SER A 56 -13.069 -18.522 -2.005 1.00 0.10 H new ATOM 0 HA SER A 56 -12.737 -15.574 -2.278 1.00 0.14 H new ATOM 0 HB2 SER A 56 -14.312 -16.536 -3.805 1.00 0.15 H new ATOM 0 HB3 SER A 56 -15.003 -17.583 -2.581 1.00 0.15 H new ATOM 0 HG SER A 56 -14.940 -14.968 -1.709 1.00 1.94 H new ATOM 905 N ASN A 57 -13.118 -17.115 0.347 1.00 0.27 N ATOM 906 CA ASN A 57 -13.351 -17.159 1.788 1.00 0.38 C ATOM 907 C ASN A 57 -12.098 -16.640 2.451 1.00 0.38 C ATOM 908 O ASN A 57 -12.075 -16.365 3.636 1.00 0.44 O ATOM 909 CB ASN A 57 -13.538 -18.649 2.172 1.00 0.39 C ATOM 910 CG ASN A 57 -14.986 -18.920 2.604 1.00 0.51 C ATOM 911 OD1 ASN A 57 -15.793 -18.022 2.747 1.00 0.83 O ATOM 912 ND2 ASN A 57 -15.356 -20.153 2.828 1.00 1.80 N ATOM 0 H ASN A 57 -12.459 -17.817 0.012 1.00 0.27 H new ATOM 0 HA ASN A 57 -14.219 -16.572 2.088 1.00 0.38 H new ATOM 0 HB2 ASN A 57 -13.282 -19.283 1.324 1.00 0.39 H new ATOM 0 HB3 ASN A 57 -12.857 -18.909 2.982 1.00 0.39 H new ATOM 0 HD21 ASN A 57 -16.313 -20.353 3.119 1.00 1.80 H new ATOM 0 HD22 ASN A 57 -14.688 -20.915 2.711 1.00 1.80 H new ATOM 919 N TYR A 58 -11.072 -16.521 1.640 1.00 0.35 N ATOM 920 CA TYR A 58 -9.780 -16.021 2.163 1.00 0.39 C ATOM 921 C TYR A 58 -9.419 -14.641 1.595 1.00 0.53 C ATOM 922 O TYR A 58 -9.025 -13.756 2.332 1.00 1.32 O ATOM 923 CB TYR A 58 -8.665 -17.005 1.779 1.00 0.22 C ATOM 924 CG TYR A 58 -8.529 -18.094 2.862 1.00 0.15 C ATOM 925 CD1 TYR A 58 -9.532 -19.053 3.085 1.00 0.19 C ATOM 926 CD2 TYR A 58 -7.414 -18.097 3.679 1.00 0.16 C ATOM 927 CE1 TYR A 58 -9.402 -19.961 4.117 1.00 0.28 C ATOM 928 CE2 TYR A 58 -7.297 -19.011 4.706 1.00 0.25 C ATOM 929 CZ TYR A 58 -8.287 -19.947 4.933 1.00 0.32 C ATOM 930 OH TYR A 58 -8.160 -20.863 5.957 1.00 0.45 O ATOM 0 H TYR A 58 -11.082 -16.749 0.646 1.00 0.35 H new ATOM 0 HA TYR A 58 -9.878 -15.933 3.245 1.00 0.39 H new ATOM 0 HB2 TYR A 58 -8.889 -17.464 0.816 1.00 0.22 H new ATOM 0 HB3 TYR A 58 -7.721 -16.472 1.666 1.00 0.22 H new ATOM 0 HD1 TYR A 58 -10.405 -19.080 2.449 1.00 0.19 H new ATOM 0 HD2 TYR A 58 -6.627 -17.377 3.512 1.00 0.16 H new ATOM 0 HE1 TYR A 58 -10.180 -20.690 4.288 1.00 0.28 H new ATOM 0 HE2 TYR A 58 -6.422 -18.994 5.339 1.00 0.25 H new ATOM 0 HH TYR A 58 -7.315 -20.710 6.429 1.00 0.45 H new ATOM 940 N VAL A 59 -9.555 -14.477 0.302 1.00 0.45 N ATOM 941 CA VAL A 59 -9.215 -13.154 -0.304 1.00 0.35 C ATOM 942 C VAL A 59 -10.441 -12.265 -0.473 1.00 0.46 C ATOM 943 O VAL A 59 -11.526 -12.590 -0.035 1.00 0.59 O ATOM 944 CB VAL A 59 -8.636 -13.383 -1.704 1.00 0.38 C ATOM 945 CG1 VAL A 59 -7.521 -14.415 -1.611 1.00 0.45 C ATOM 946 CG2 VAL A 59 -9.746 -13.865 -2.664 1.00 0.50 C ATOM 0 H VAL A 59 -9.881 -15.190 -0.351 1.00 0.45 H new ATOM 0 HA VAL A 59 -8.507 -12.666 0.366 1.00 0.35 H new ATOM 0 HB VAL A 59 -8.232 -12.450 -2.096 1.00 0.38 H new ATOM 0 HG11 VAL A 59 -7.101 -14.587 -2.602 1.00 0.45 H new ATOM 0 HG12 VAL A 59 -6.741 -14.048 -0.944 1.00 0.45 H new ATOM 0 HG13 VAL A 59 -7.922 -15.350 -1.220 1.00 0.45 H new ATOM 0 HG21 VAL A 59 -9.325 -14.025 -3.656 1.00 0.50 H new ATOM 0 HG22 VAL A 59 -10.167 -14.800 -2.294 1.00 0.50 H new ATOM 0 HG23 VAL A 59 -10.531 -13.111 -2.720 1.00 0.50 H new ATOM 956 N GLU A 60 -10.216 -11.158 -1.132 1.00 0.46 N ATOM 957 CA GLU A 60 -11.307 -10.178 -1.386 1.00 0.61 C ATOM 958 C GLU A 60 -10.747 -9.013 -2.196 1.00 0.54 C ATOM 959 O GLU A 60 -9.598 -8.658 -2.045 1.00 0.59 O ATOM 960 CB GLU A 60 -11.825 -9.635 -0.043 1.00 0.76 C ATOM 961 CG GLU A 60 -13.232 -9.055 -0.222 1.00 0.66 C ATOM 962 CD GLU A 60 -14.250 -9.982 0.447 1.00 2.12 C ATOM 963 OE1 GLU A 60 -14.112 -10.166 1.644 1.00 2.91 O ATOM 964 OE2 GLU A 60 -15.110 -10.453 -0.280 1.00 3.15 O ATOM 0 H GLU A 60 -9.307 -10.890 -1.510 1.00 0.46 H new ATOM 0 HA GLU A 60 -12.117 -10.664 -1.930 1.00 0.61 H new ATOM 0 HB2 GLU A 60 -11.843 -10.433 0.699 1.00 0.76 H new ATOM 0 HB3 GLU A 60 -11.150 -8.866 0.333 1.00 0.76 H new ATOM 0 HG2 GLU A 60 -13.286 -8.059 0.218 1.00 0.66 H new ATOM 0 HG3 GLU A 60 -13.462 -8.948 -1.282 1.00 0.66 H new