USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 559 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 15 LYS NZ :NH3+ -164:sc= 2.41 (180deg=0.999) USER MOD Set 1.2: A 61 THR OG1 : rot 68:sc= -0.235 USER MOD Single : A 12 GLN : amide:sc= -0.0477 K(o=-0.048,f=-1.1) USER MOD Single : A 22 SER OG : rot -167:sc= 1.33 USER MOD Single : A 25 THR OG1 : rot -160:sc= -0.82 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.097 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 88:sc= 1.26 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -1.06 F(o=-2.6,f=-1.1) USER MOD Single : A 36 GLN : amide:sc=-0.00445 X(o=-0.0045,f=-0.22) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -102:sc= 0.00241 USER MOD Single : A 43 CYS SG : rot 35:sc= -0.968 USER MOD Single : A 46 MET CE :methyl 156:sc= -0.791 (180deg=-1.63) USER MOD Single : A 62 TYR OH : rot 17:sc= 0.833 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 72 MET CE :methyl -161:sc= -1.26 (180deg=-2.97!) USER MOD Single : A 73 ASN : amide:sc= 0.799 K(o=0.8,f=-0.13) USER MOD Single : A 77 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-4.2) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= -0.0109 (180deg=-0.122) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.007 -18.360 -3.584 1.00 24.04 N ATOM 149 CA GLU A 11 -6.093 -17.973 -4.473 1.00 20.42 C ATOM 150 C GLU A 11 -6.748 -19.196 -5.093 1.00 64.43 C ATOM 151 O GLU A 11 -7.966 -19.297 -5.123 1.00 44.44 O ATOM 152 CB GLU A 11 -5.546 -17.063 -5.575 1.00 3.11 C ATOM 153 CG GLU A 11 -6.562 -16.666 -6.635 1.00 73.04 C ATOM 154 CD GLU A 11 -5.916 -15.949 -7.801 1.00 61.14 C ATOM 155 OE1 GLU A 11 -6.505 -15.944 -8.901 1.00 32.21 O ATOM 156 OE2 GLU A 11 -4.800 -15.415 -7.635 1.00 52.25 O ATOM 0 HA GLU A 11 -6.846 -17.440 -3.893 1.00 20.42 H new ATOM 0 HB2 GLU A 11 -5.148 -16.158 -5.116 1.00 3.11 H new ATOM 0 HB3 GLU A 11 -4.711 -17.567 -6.062 1.00 3.11 H new ATOM 0 HG2 GLU A 11 -7.075 -17.557 -6.997 1.00 73.04 H new ATOM 0 HG3 GLU A 11 -7.319 -16.022 -6.188 1.00 73.04 H new ATOM 163 N GLN A 12 -5.931 -20.125 -5.570 1.00 35.05 N ATOM 164 CA GLN A 12 -6.433 -21.305 -6.266 1.00 10.22 C ATOM 165 C GLN A 12 -7.228 -22.201 -5.319 1.00 70.22 C ATOM 166 O GLN A 12 -8.146 -22.902 -5.733 1.00 54.32 O ATOM 167 CB GLN A 12 -5.274 -22.070 -6.898 1.00 32.42 C ATOM 168 CG GLN A 12 -4.444 -22.870 -5.912 1.00 41.40 C ATOM 169 CD GLN A 12 -3.129 -23.319 -6.501 1.00 35.05 C ATOM 170 OE1 GLN A 12 -2.528 -22.624 -7.320 1.00 42.41 O ATOM 171 NE2 GLN A 12 -2.681 -24.493 -6.103 1.00 51.21 N ATOM 0 H GLN A 12 -4.915 -20.085 -5.488 1.00 35.05 H new ATOM 0 HA GLN A 12 -7.109 -20.981 -7.058 1.00 10.22 H new ATOM 0 HB2 GLN A 12 -5.670 -22.747 -7.655 1.00 32.42 H new ATOM 0 HB3 GLN A 12 -4.624 -21.362 -7.412 1.00 32.42 H new ATOM 0 HG2 GLN A 12 -4.255 -22.265 -5.025 1.00 41.40 H new ATOM 0 HG3 GLN A 12 -5.011 -23.743 -5.587 1.00 41.40 H new ATOM 0 HE21 GLN A 12 -3.211 -25.037 -5.422 1.00 51.21 H new ATOM 0 HE22 GLN A 12 -1.804 -24.858 -6.476 1.00 51.21 H new ATOM 180 N LEU A 13 -6.878 -22.159 -4.042 1.00 22.10 N ATOM 181 CA LEU A 13 -7.623 -22.883 -3.024 1.00 53.14 C ATOM 182 C LEU A 13 -9.010 -22.284 -2.864 1.00 34.54 C ATOM 183 O LEU A 13 -10.003 -22.995 -2.695 1.00 14.32 O ATOM 184 CB LEU A 13 -6.893 -22.807 -1.689 1.00 54.44 C ATOM 185 CG LEU A 13 -7.748 -23.172 -0.478 1.00 62.10 C ATOM 186 CD1 LEU A 13 -8.012 -24.665 -0.435 1.00 45.33 C ATOM 187 CD2 LEU A 13 -7.096 -22.685 0.800 1.00 52.31 C ATOM 0 H LEU A 13 -6.082 -21.630 -3.686 1.00 22.10 H new ATOM 0 HA LEU A 13 -7.710 -23.924 -3.335 1.00 53.14 H new ATOM 0 HB2 LEU A 13 -6.030 -23.472 -1.723 1.00 54.44 H new ATOM 0 HB3 LEU A 13 -6.510 -21.795 -1.556 1.00 54.44 H new ATOM 0 HG LEU A 13 -8.712 -22.672 -0.571 1.00 62.10 H new ATOM 0 HD11 LEU A 13 -8.623 -24.902 0.436 1.00 45.33 H new ATOM 0 HD12 LEU A 13 -8.538 -24.968 -1.340 1.00 45.33 H new ATOM 0 HD13 LEU A 13 -7.065 -25.200 -0.370 1.00 45.33 H new ATOM 0 HD21 LEU A 13 -7.720 -22.954 1.652 1.00 52.31 H new ATOM 0 HD22 LEU A 13 -6.115 -23.148 0.908 1.00 52.31 H new ATOM 0 HD23 LEU A 13 -6.983 -21.602 0.761 1.00 52.31 H new ATOM 199 N ARG A 14 -9.054 -20.965 -2.904 1.00 12.20 N ATOM 200 CA ARG A 14 -10.293 -20.228 -2.740 1.00 12.34 C ATOM 201 C ARG A 14 -11.023 -20.104 -4.070 1.00 22.03 C ATOM 202 O ARG A 14 -12.146 -19.601 -4.131 1.00 2.25 O ATOM 203 CB ARG A 14 -10.000 -18.838 -2.185 1.00 33.34 C ATOM 204 CG ARG A 14 -9.397 -18.849 -0.794 1.00 32.02 C ATOM 205 CD ARG A 14 -9.095 -17.440 -0.323 1.00 25.20 C ATOM 206 NE ARG A 14 -8.084 -16.787 -1.153 1.00 41.24 N ATOM 207 CZ ARG A 14 -8.206 -15.550 -1.639 1.00 55.43 C ATOM 208 NH1 ARG A 14 -9.313 -14.850 -1.420 1.00 21.05 N ATOM 209 NH2 ARG A 14 -7.225 -15.013 -2.351 1.00 61.01 N ATOM 0 H ARG A 14 -8.234 -20.376 -3.051 1.00 12.20 H new ATOM 0 HA ARG A 14 -10.929 -20.772 -2.041 1.00 12.34 H new ATOM 0 HB2 ARG A 14 -9.319 -18.323 -2.862 1.00 33.34 H new ATOM 0 HB3 ARG A 14 -10.925 -18.262 -2.165 1.00 33.34 H new ATOM 0 HG2 ARG A 14 -10.086 -19.329 -0.099 1.00 32.02 H new ATOM 0 HG3 ARG A 14 -8.481 -19.440 -0.795 1.00 32.02 H new ATOM 0 HD2 ARG A 14 -10.011 -16.850 -0.337 1.00 25.20 H new ATOM 0 HD3 ARG A 14 -8.751 -17.470 0.711 1.00 25.20 H new ATOM 0 HE ARG A 14 -7.235 -17.308 -1.374 1.00 41.24 H new ATOM 0 HH11 ARG A 14 -10.075 -15.257 -0.878 1.00 21.05 H new ATOM 0 HH12 ARG A 14 -9.401 -13.905 -1.794 1.00 21.05 H new ATOM 0 HH21 ARG A 14 -6.373 -15.546 -2.529 1.00 61.01 H new ATOM 0 HH22 ARG A 14 -7.322 -14.067 -2.721 1.00 61.01 H new ATOM 223 N LYS A 15 -10.373 -20.550 -5.129 1.00 42.24 N ATOM 224 CA LYS A 15 -10.941 -20.455 -6.461 1.00 44.53 C ATOM 225 C LYS A 15 -11.552 -21.782 -6.878 1.00 23.34 C ATOM 226 O LYS A 15 -10.970 -22.848 -6.679 1.00 40.31 O ATOM 227 CB LYS A 15 -9.887 -20.025 -7.485 1.00 3.51 C ATOM 228 CG LYS A 15 -10.484 -19.595 -8.819 1.00 43.13 C ATOM 229 CD LYS A 15 -9.422 -19.423 -9.896 1.00 73.04 C ATOM 230 CE LYS A 15 -8.364 -18.401 -9.512 1.00 24.32 C ATOM 231 NZ LYS A 15 -8.910 -17.021 -9.387 1.00 63.42 N ATOM 0 H LYS A 15 -9.450 -20.982 -5.092 1.00 42.24 H new ATOM 0 HA LYS A 15 -11.723 -19.696 -6.432 1.00 44.53 H new ATOM 0 HB2 LYS A 15 -9.305 -19.201 -7.073 1.00 3.51 H new ATOM 0 HB3 LYS A 15 -9.196 -20.851 -7.653 1.00 3.51 H new ATOM 0 HG2 LYS A 15 -11.213 -20.337 -9.145 1.00 43.13 H new ATOM 0 HG3 LYS A 15 -11.022 -18.656 -8.688 1.00 43.13 H new ATOM 0 HD2 LYS A 15 -8.943 -20.383 -10.086 1.00 73.04 H new ATOM 0 HD3 LYS A 15 -9.899 -19.115 -10.826 1.00 73.04 H new ATOM 0 HE2 LYS A 15 -7.910 -18.694 -8.565 1.00 24.32 H new ATOM 0 HE3 LYS A 15 -7.572 -18.407 -10.261 1.00 24.32 H new ATOM 0 HZ1 LYS A 15 -8.127 -16.336 -9.394 1.00 63.42 H new ATOM 0 HZ2 LYS A 15 -9.548 -16.826 -10.185 1.00 63.42 H new ATOM 0 HZ3 LYS A 15 -9.436 -16.935 -8.494 1.00 63.42 H new ATOM 245 N LEU A 16 -12.737 -21.698 -7.436 1.00 13.24 N ATOM 246 CA LEU A 16 -13.444 -22.851 -7.947 1.00 73.13 C ATOM 247 C LEU A 16 -13.288 -22.957 -9.461 1.00 13.13 C ATOM 248 O LEU A 16 -13.418 -21.966 -10.180 1.00 72.13 O ATOM 249 CB LEU A 16 -14.921 -22.729 -7.585 1.00 40.04 C ATOM 250 CG LEU A 16 -15.366 -23.481 -6.330 1.00 3.05 C ATOM 251 CD1 LEU A 16 -16.872 -23.390 -6.168 1.00 11.13 C ATOM 252 CD2 LEU A 16 -14.931 -24.935 -6.385 1.00 52.11 C ATOM 0 H LEU A 16 -13.243 -20.820 -7.549 1.00 13.24 H new ATOM 0 HA LEU A 16 -13.024 -23.752 -7.499 1.00 73.13 H new ATOM 0 HB2 LEU A 16 -15.157 -21.673 -7.455 1.00 40.04 H new ATOM 0 HB3 LEU A 16 -15.512 -23.086 -8.428 1.00 40.04 H new ATOM 0 HG LEU A 16 -14.889 -23.015 -5.468 1.00 3.05 H new ATOM 0 HD11 LEU A 16 -17.175 -23.930 -5.271 1.00 11.13 H new ATOM 0 HD12 LEU A 16 -17.166 -22.344 -6.079 1.00 11.13 H new ATOM 0 HD13 LEU A 16 -17.359 -23.831 -7.038 1.00 11.13 H new ATOM 0 HD21 LEU A 16 -15.260 -25.448 -5.481 1.00 52.11 H new ATOM 0 HD22 LEU A 16 -15.376 -25.415 -7.257 1.00 52.11 H new ATOM 0 HD23 LEU A 16 -13.845 -24.987 -6.457 1.00 52.11 H new ATOM 264 N PHE A 17 -12.995 -24.160 -9.925 1.00 32.40 N ATOM 265 CA PHE A 17 -12.939 -24.460 -11.346 1.00 32.24 C ATOM 266 C PHE A 17 -14.288 -24.995 -11.788 1.00 14.41 C ATOM 267 O PHE A 17 -14.697 -26.083 -11.375 1.00 53.33 O ATOM 268 CB PHE A 17 -11.840 -25.490 -11.632 1.00 4.14 C ATOM 269 CG PHE A 17 -11.706 -25.872 -13.084 1.00 2.55 C ATOM 270 CD1 PHE A 17 -11.631 -27.202 -13.462 1.00 62.45 C ATOM 271 CD2 PHE A 17 -11.642 -24.900 -14.068 1.00 22.14 C ATOM 272 CE1 PHE A 17 -11.489 -27.553 -14.792 1.00 3.43 C ATOM 273 CE2 PHE A 17 -11.505 -25.245 -15.397 1.00 23.13 C ATOM 274 CZ PHE A 17 -11.427 -26.572 -15.761 1.00 40.14 C ATOM 0 H PHE A 17 -12.789 -24.959 -9.325 1.00 32.40 H new ATOM 0 HA PHE A 17 -12.705 -23.552 -11.901 1.00 32.24 H new ATOM 0 HB2 PHE A 17 -10.887 -25.092 -11.284 1.00 4.14 H new ATOM 0 HB3 PHE A 17 -12.041 -26.389 -11.050 1.00 4.14 H new ATOM 0 HD1 PHE A 17 -11.684 -27.974 -12.709 1.00 62.45 H new ATOM 0 HD2 PHE A 17 -11.700 -23.858 -13.792 1.00 22.14 H new ATOM 0 HE1 PHE A 17 -11.427 -28.594 -15.072 1.00 3.43 H new ATOM 0 HE2 PHE A 17 -11.459 -24.475 -16.152 1.00 23.13 H new ATOM 0 HZ PHE A 17 -11.318 -26.843 -16.801 1.00 40.14 H new ATOM 284 N ILE A 18 -14.988 -24.223 -12.598 1.00 73.51 N ATOM 285 CA ILE A 18 -16.334 -24.579 -13.013 1.00 63.54 C ATOM 286 C ILE A 18 -16.329 -25.051 -14.453 1.00 63.44 C ATOM 287 O ILE A 18 -16.333 -24.238 -15.374 1.00 0.20 O ATOM 288 CB ILE A 18 -17.303 -23.386 -12.889 1.00 61.52 C ATOM 289 CG1 ILE A 18 -17.084 -22.647 -11.569 1.00 2.50 C ATOM 290 CG2 ILE A 18 -18.744 -23.861 -13.006 1.00 43.55 C ATOM 291 CD1 ILE A 18 -17.133 -23.539 -10.345 1.00 24.52 C ATOM 0 H ILE A 18 -14.646 -23.342 -12.983 1.00 73.51 H new ATOM 0 HA ILE A 18 -16.674 -25.377 -12.354 1.00 63.54 H new ATOM 0 HB ILE A 18 -17.101 -22.691 -13.704 1.00 61.52 H new ATOM 0 HG12 ILE A 18 -16.117 -22.146 -11.602 1.00 2.50 H new ATOM 0 HG13 ILE A 18 -17.842 -21.870 -11.470 1.00 2.50 H new ATOM 0 HG21 ILE A 18 -19.417 -23.008 -12.917 1.00 43.55 H new ATOM 0 HG22 ILE A 18 -18.892 -24.340 -13.974 1.00 43.55 H new ATOM 0 HG23 ILE A 18 -18.957 -24.576 -12.211 1.00 43.55 H new ATOM 0 HD11 ILE A 18 -16.969 -22.938 -9.450 1.00 24.52 H new ATOM 0 HD12 ILE A 18 -18.109 -24.021 -10.285 1.00 24.52 H new ATOM 0 HD13 ILE A 18 -16.357 -24.301 -10.418 1.00 24.52 H new ATOM 303 N GLY A 19 -16.318 -26.354 -14.647 1.00 43.34 N ATOM 304 CA GLY A 19 -16.276 -26.884 -15.989 1.00 63.15 C ATOM 305 C GLY A 19 -17.577 -27.538 -16.384 1.00 65.24 C ATOM 306 O GLY A 19 -18.250 -28.149 -15.552 1.00 52.01 O ATOM 0 H GLY A 19 -16.337 -27.053 -13.905 1.00 43.34 H new ATOM 0 HA2 GLY A 19 -16.048 -26.080 -16.689 1.00 63.15 H new ATOM 0 HA3 GLY A 19 -15.468 -27.611 -16.066 1.00 63.15 H new ATOM 310 N GLY A 20 -17.943 -27.395 -17.650 1.00 43.13 N ATOM 311 CA GLY A 20 -19.138 -28.038 -18.152 1.00 31.34 C ATOM 312 C GLY A 20 -20.379 -27.204 -17.938 1.00 31.12 C ATOM 313 O GLY A 20 -21.418 -27.724 -17.531 1.00 64.20 O ATOM 0 H GLY A 20 -17.432 -26.844 -18.339 1.00 43.13 H new ATOM 0 HA2 GLY A 20 -19.018 -28.239 -19.217 1.00 31.34 H new ATOM 0 HA3 GLY A 20 -19.263 -29.002 -17.658 1.00 31.34 H new ATOM 317 N LEU A 21 -20.275 -25.913 -18.211 1.00 62.43 N ATOM 318 CA LEU A 21 -21.405 -25.013 -18.053 1.00 0.31 C ATOM 319 C LEU A 21 -21.989 -24.622 -19.405 1.00 70.43 C ATOM 320 O LEU A 21 -21.370 -24.844 -20.448 1.00 13.13 O ATOM 321 CB LEU A 21 -21.006 -23.773 -17.235 1.00 23.24 C ATOM 322 CG LEU A 21 -19.647 -23.144 -17.566 1.00 15.22 C ATOM 323 CD1 LEU A 21 -19.730 -22.267 -18.803 1.00 74.50 C ATOM 324 CD2 LEU A 21 -19.139 -22.341 -16.380 1.00 32.44 C ATOM 0 H LEU A 21 -19.420 -25.466 -18.543 1.00 62.43 H new ATOM 0 HA LEU A 21 -22.183 -25.541 -17.501 1.00 0.31 H new ATOM 0 HB2 LEU A 21 -21.776 -23.013 -17.370 1.00 23.24 H new ATOM 0 HB3 LEU A 21 -21.008 -24.045 -16.180 1.00 23.24 H new ATOM 0 HG LEU A 21 -18.944 -23.950 -17.777 1.00 15.22 H new ATOM 0 HD11 LEU A 21 -18.750 -21.836 -19.010 1.00 74.50 H new ATOM 0 HD12 LEU A 21 -20.050 -22.868 -19.654 1.00 74.50 H new ATOM 0 HD13 LEU A 21 -20.450 -21.466 -18.634 1.00 74.50 H new ATOM 0 HD21 LEU A 21 -18.174 -21.899 -16.626 1.00 32.44 H new ATOM 0 HD22 LEU A 21 -19.851 -21.550 -16.145 1.00 32.44 H new ATOM 0 HD23 LEU A 21 -19.028 -22.997 -15.517 1.00 32.44 H new ATOM 336 N SER A 22 -23.190 -24.062 -19.367 1.00 22.23 N ATOM 337 CA SER A 22 -23.903 -23.649 -20.567 1.00 73.02 C ATOM 338 C SER A 22 -23.104 -22.608 -21.345 1.00 4.45 C ATOM 339 O SER A 22 -22.351 -21.827 -20.766 1.00 33.45 O ATOM 340 CB SER A 22 -25.271 -23.081 -20.164 1.00 52.21 C ATOM 341 OG SER A 22 -25.989 -22.569 -21.276 1.00 71.31 O ATOM 0 H SER A 22 -23.698 -23.881 -18.501 1.00 22.23 H new ATOM 0 HA SER A 22 -24.041 -24.514 -21.216 1.00 73.02 H new ATOM 0 HB2 SER A 22 -25.859 -23.862 -19.683 1.00 52.21 H new ATOM 0 HB3 SER A 22 -25.131 -22.289 -19.428 1.00 52.21 H new ATOM 0 HG SER A 22 -26.747 -22.035 -20.958 1.00 71.31 H new ATOM 347 N PHE A 23 -23.274 -22.595 -22.660 1.00 32.53 N ATOM 348 CA PHE A 23 -22.593 -21.619 -23.501 1.00 1.22 C ATOM 349 C PHE A 23 -23.169 -20.228 -23.272 1.00 20.04 C ATOM 350 O PHE A 23 -22.601 -19.224 -23.704 1.00 14.11 O ATOM 351 CB PHE A 23 -22.706 -22.001 -24.977 1.00 64.02 C ATOM 352 CG PHE A 23 -22.053 -23.308 -25.314 1.00 4.15 C ATOM 353 CD1 PHE A 23 -22.809 -24.461 -25.438 1.00 32.43 C ATOM 354 CD2 PHE A 23 -20.684 -23.383 -25.508 1.00 13.32 C ATOM 355 CE1 PHE A 23 -22.212 -25.666 -25.750 1.00 32.15 C ATOM 356 CE2 PHE A 23 -20.080 -24.586 -25.819 1.00 64.40 C ATOM 357 CZ PHE A 23 -20.845 -25.729 -25.940 1.00 63.35 C ATOM 0 H PHE A 23 -23.875 -23.246 -23.166 1.00 32.53 H new ATOM 0 HA PHE A 23 -21.538 -21.612 -23.228 1.00 1.22 H new ATOM 0 HB2 PHE A 23 -23.760 -22.051 -25.250 1.00 64.02 H new ATOM 0 HB3 PHE A 23 -22.256 -21.214 -25.582 1.00 64.02 H new ATOM 0 HD1 PHE A 23 -23.878 -24.417 -25.289 1.00 32.43 H new ATOM 0 HD2 PHE A 23 -20.082 -22.491 -25.415 1.00 13.32 H new ATOM 0 HE1 PHE A 23 -22.813 -26.558 -25.845 1.00 32.15 H new ATOM 0 HE2 PHE A 23 -19.011 -24.632 -25.967 1.00 64.40 H new ATOM 0 HZ PHE A 23 -20.376 -26.671 -26.183 1.00 63.35 H new ATOM 367 N GLU A 24 -24.298 -20.175 -22.583 1.00 60.41 N ATOM 368 CA GLU A 24 -24.932 -18.911 -22.250 1.00 32.33 C ATOM 369 C GLU A 24 -24.440 -18.426 -20.894 1.00 63.40 C ATOM 370 O GLU A 24 -24.731 -17.307 -20.470 1.00 72.31 O ATOM 371 CB GLU A 24 -26.446 -19.078 -22.235 1.00 50.54 C ATOM 372 CG GLU A 24 -26.979 -19.754 -23.483 1.00 15.23 C ATOM 373 CD GLU A 24 -28.489 -19.798 -23.520 1.00 72.01 C ATOM 374 OE1 GLU A 24 -29.122 -18.722 -23.528 1.00 22.44 O ATOM 375 OE2 GLU A 24 -29.053 -20.911 -23.544 1.00 71.10 O ATOM 0 H GLU A 24 -24.796 -20.998 -22.242 1.00 60.41 H new ATOM 0 HA GLU A 24 -24.669 -18.169 -23.004 1.00 32.33 H new ATOM 0 HB2 GLU A 24 -26.733 -19.663 -21.361 1.00 50.54 H new ATOM 0 HB3 GLU A 24 -26.913 -18.099 -22.131 1.00 50.54 H new ATOM 0 HG2 GLU A 24 -26.613 -19.225 -24.363 1.00 15.23 H new ATOM 0 HG3 GLU A 24 -26.588 -20.770 -23.537 1.00 15.23 H new ATOM 382 N THR A 25 -23.688 -19.283 -20.222 1.00 1.22 N ATOM 383 CA THR A 25 -23.124 -18.957 -18.931 1.00 21.45 C ATOM 384 C THR A 25 -21.939 -18.007 -19.080 1.00 73.51 C ATOM 385 O THR A 25 -20.814 -18.424 -19.361 1.00 32.21 O ATOM 386 CB THR A 25 -22.681 -20.227 -18.186 1.00 45.44 C ATOM 387 OG1 THR A 25 -23.803 -21.106 -18.026 1.00 12.53 O ATOM 388 CG2 THR A 25 -22.096 -19.889 -16.826 1.00 64.11 C ATOM 0 H THR A 25 -23.455 -20.218 -20.557 1.00 1.22 H new ATOM 0 HA THR A 25 -23.901 -18.463 -18.348 1.00 21.45 H new ATOM 0 HB THR A 25 -21.908 -20.719 -18.776 1.00 45.44 H new ATOM 0 HG1 THR A 25 -23.620 -21.742 -17.303 1.00 12.53 H new ATOM 0 HG21 THR A 25 -21.792 -20.807 -16.323 1.00 64.11 H new ATOM 0 HG22 THR A 25 -21.229 -19.241 -16.954 1.00 64.11 H new ATOM 0 HG23 THR A 25 -22.847 -19.377 -16.224 1.00 64.11 H new ATOM 396 N THR A 26 -22.212 -16.726 -18.923 1.00 3.42 N ATOM 397 CA THR A 26 -21.172 -15.718 -18.945 1.00 4.22 C ATOM 398 C THR A 26 -20.776 -15.368 -17.519 1.00 0.41 C ATOM 399 O THR A 26 -21.500 -15.690 -16.580 1.00 45.44 O ATOM 400 CB THR A 26 -21.620 -14.459 -19.722 1.00 64.13 C ATOM 401 OG1 THR A 26 -20.560 -13.493 -19.770 1.00 34.33 O ATOM 402 CG2 THR A 26 -22.859 -13.840 -19.095 1.00 4.42 C ATOM 0 H THR A 26 -23.152 -16.358 -18.778 1.00 3.42 H new ATOM 0 HA THR A 26 -20.305 -16.123 -19.467 1.00 4.22 H new ATOM 0 HB THR A 26 -21.866 -14.766 -20.739 1.00 64.13 H new ATOM 0 HG1 THR A 26 -20.860 -12.703 -20.267 1.00 34.33 H new ATOM 0 HG21 THR A 26 -23.151 -12.956 -19.662 1.00 4.42 H new ATOM 0 HG22 THR A 26 -23.673 -14.564 -19.107 1.00 4.42 H new ATOM 0 HG23 THR A 26 -22.642 -13.555 -18.066 1.00 4.42 H new ATOM 410 N ASP A 27 -19.635 -14.712 -17.369 1.00 0.41 N ATOM 411 CA ASP A 27 -19.029 -14.462 -16.062 1.00 23.22 C ATOM 412 C ASP A 27 -20.011 -13.816 -15.092 1.00 42.44 C ATOM 413 O ASP A 27 -20.125 -14.231 -13.938 1.00 3.51 O ATOM 414 CB ASP A 27 -17.791 -13.577 -16.222 1.00 42.33 C ATOM 415 CG ASP A 27 -18.116 -12.128 -16.542 1.00 42.25 C ATOM 416 OD1 ASP A 27 -18.624 -11.860 -17.653 1.00 11.53 O ATOM 417 OD2 ASP A 27 -17.861 -11.258 -15.681 1.00 32.40 O ATOM 0 H ASP A 27 -19.099 -14.335 -18.151 1.00 0.41 H new ATOM 0 HA ASP A 27 -18.740 -15.425 -15.642 1.00 23.22 H new ATOM 0 HB2 ASP A 27 -17.206 -13.615 -15.303 1.00 42.33 H new ATOM 0 HB3 ASP A 27 -17.164 -13.984 -17.016 1.00 42.33 H new ATOM 422 N GLU A 28 -20.720 -12.815 -15.575 1.00 43.20 N ATOM 423 CA GLU A 28 -21.690 -12.092 -14.766 1.00 33.45 C ATOM 424 C GLU A 28 -22.840 -12.992 -14.326 1.00 21.55 C ATOM 425 O GLU A 28 -23.349 -12.856 -13.216 1.00 2.42 O ATOM 426 CB GLU A 28 -22.214 -10.885 -15.541 1.00 72.03 C ATOM 427 CG GLU A 28 -22.847 -11.245 -16.874 1.00 43.34 C ATOM 428 CD GLU A 28 -23.251 -10.030 -17.679 1.00 22.13 C ATOM 429 OE1 GLU A 28 -22.429 -9.551 -18.487 1.00 51.12 O ATOM 430 OE2 GLU A 28 -24.391 -9.550 -17.506 1.00 1.33 O ATOM 0 H GLU A 28 -20.643 -12.478 -16.535 1.00 43.20 H new ATOM 0 HA GLU A 28 -21.188 -11.746 -13.862 1.00 33.45 H new ATOM 0 HB2 GLU A 28 -22.949 -10.362 -14.929 1.00 72.03 H new ATOM 0 HB3 GLU A 28 -21.392 -10.191 -15.715 1.00 72.03 H new ATOM 0 HG2 GLU A 28 -22.144 -11.843 -17.455 1.00 43.34 H new ATOM 0 HG3 GLU A 28 -23.725 -11.867 -16.698 1.00 43.34 H new ATOM 437 N SER A 29 -23.228 -13.929 -15.178 1.00 63.43 N ATOM 438 CA SER A 29 -24.306 -14.838 -14.842 1.00 42.35 C ATOM 439 C SER A 29 -23.761 -15.926 -13.932 1.00 44.03 C ATOM 440 O SER A 29 -24.413 -16.358 -12.983 1.00 61.52 O ATOM 441 CB SER A 29 -24.906 -15.444 -16.116 1.00 73.24 C ATOM 442 OG SER A 29 -26.126 -16.113 -15.847 1.00 4.01 O ATOM 0 H SER A 29 -22.815 -14.077 -16.099 1.00 63.43 H new ATOM 0 HA SER A 29 -25.099 -14.298 -14.325 1.00 42.35 H new ATOM 0 HB2 SER A 29 -25.076 -14.656 -16.850 1.00 73.24 H new ATOM 0 HB3 SER A 29 -24.196 -16.143 -16.557 1.00 73.24 H new ATOM 0 HG SER A 29 -26.484 -16.487 -16.679 1.00 4.01 H new ATOM 448 N LEU A 30 -22.522 -16.311 -14.204 1.00 72.15 N ATOM 449 CA LEU A 30 -21.853 -17.366 -13.463 1.00 64.33 C ATOM 450 C LEU A 30 -21.655 -16.927 -12.017 1.00 4.21 C ATOM 451 O LEU A 30 -21.902 -17.696 -11.084 1.00 31.32 O ATOM 452 CB LEU A 30 -20.510 -17.693 -14.143 1.00 1.51 C ATOM 453 CG LEU A 30 -19.806 -18.990 -13.709 1.00 11.23 C ATOM 454 CD1 LEU A 30 -19.075 -18.808 -12.394 1.00 60.33 C ATOM 455 CD2 LEU A 30 -20.798 -20.137 -13.604 1.00 35.20 C ATOM 0 H LEU A 30 -21.954 -15.900 -14.945 1.00 72.15 H new ATOM 0 HA LEU A 30 -22.463 -18.270 -13.460 1.00 64.33 H new ATOM 0 HB2 LEU A 30 -20.678 -17.742 -15.219 1.00 1.51 H new ATOM 0 HB3 LEU A 30 -19.828 -16.861 -13.965 1.00 1.51 H new ATOM 0 HG LEU A 30 -19.071 -19.234 -14.476 1.00 11.23 H new ATOM 0 HD11 LEU A 30 -18.588 -19.743 -12.116 1.00 60.33 H new ATOM 0 HD12 LEU A 30 -18.324 -18.026 -12.501 1.00 60.33 H new ATOM 0 HD13 LEU A 30 -19.786 -18.524 -11.618 1.00 60.33 H new ATOM 0 HD21 LEU A 30 -20.276 -21.043 -13.296 1.00 35.20 H new ATOM 0 HD22 LEU A 30 -21.563 -19.890 -12.867 1.00 35.20 H new ATOM 0 HD23 LEU A 30 -21.268 -20.301 -14.574 1.00 35.20 H new ATOM 467 N ARG A 31 -21.242 -15.678 -11.831 1.00 54.10 N ATOM 468 CA ARG A 31 -21.046 -15.153 -10.492 1.00 43.32 C ATOM 469 C ARG A 31 -22.386 -15.052 -9.770 1.00 4.30 C ATOM 470 O ARG A 31 -22.494 -15.432 -8.615 1.00 55.53 O ATOM 471 CB ARG A 31 -20.338 -13.786 -10.510 1.00 23.50 C ATOM 472 CG ARG A 31 -21.279 -12.598 -10.608 1.00 2.35 C ATOM 473 CD ARG A 31 -20.541 -11.271 -10.534 1.00 74.33 C ATOM 474 NE ARG A 31 -20.222 -10.913 -9.155 1.00 3.42 N ATOM 475 CZ ARG A 31 -19.215 -10.123 -8.795 1.00 41.41 C ATOM 476 NH1 ARG A 31 -18.419 -9.592 -9.718 1.00 50.13 N ATOM 477 NH2 ARG A 31 -19.006 -9.864 -7.509 1.00 64.14 N ATOM 0 H ARG A 31 -21.039 -15.020 -12.583 1.00 54.10 H new ATOM 0 HA ARG A 31 -20.399 -15.845 -9.953 1.00 43.32 H new ATOM 0 HB2 ARG A 31 -19.740 -13.687 -9.604 1.00 23.50 H new ATOM 0 HB3 ARG A 31 -19.647 -13.758 -11.353 1.00 23.50 H new ATOM 0 HG2 ARG A 31 -21.832 -12.652 -11.546 1.00 2.35 H new ATOM 0 HG3 ARG A 31 -22.011 -12.650 -9.802 1.00 2.35 H new ATOM 0 HD2 ARG A 31 -19.622 -11.331 -11.117 1.00 74.33 H new ATOM 0 HD3 ARG A 31 -21.152 -10.488 -10.982 1.00 74.33 H new ATOM 0 HE ARG A 31 -20.813 -11.295 -8.417 1.00 3.42 H new ATOM 0 HH11 ARG A 31 -18.580 -9.790 -10.706 1.00 50.13 H new ATOM 0 HH12 ARG A 31 -17.647 -8.986 -9.439 1.00 50.13 H new ATOM 0 HH21 ARG A 31 -19.617 -10.271 -6.801 1.00 64.14 H new ATOM 0 HH22 ARG A 31 -18.234 -9.258 -7.230 1.00 64.14 H new ATOM 491 N SER A 32 -23.415 -14.588 -10.473 1.00 54.34 N ATOM 492 CA SER A 32 -24.723 -14.381 -9.866 1.00 62.22 C ATOM 493 C SER A 32 -25.308 -15.692 -9.347 1.00 73.52 C ATOM 494 O SER A 32 -26.100 -15.701 -8.402 1.00 31.25 O ATOM 495 CB SER A 32 -25.666 -13.721 -10.871 1.00 21.12 C ATOM 496 OG SER A 32 -25.153 -12.465 -11.282 1.00 42.30 O ATOM 0 H SER A 32 -23.367 -14.349 -11.463 1.00 54.34 H new ATOM 0 HA SER A 32 -24.603 -13.717 -9.010 1.00 62.22 H new ATOM 0 HB2 SER A 32 -25.795 -14.369 -11.738 1.00 21.12 H new ATOM 0 HB3 SER A 32 -26.651 -13.589 -10.422 1.00 21.12 H new ATOM 0 HG SER A 32 -24.562 -12.590 -12.053 1.00 42.30 H new ATOM 502 N HIS A 33 -24.909 -16.798 -9.959 1.00 31.53 N ATOM 503 CA HIS A 33 -25.295 -18.107 -9.468 1.00 15.25 C ATOM 504 C HIS A 33 -24.427 -18.515 -8.284 1.00 34.10 C ATOM 505 O HIS A 33 -24.939 -18.914 -7.249 1.00 63.13 O ATOM 506 CB HIS A 33 -25.214 -19.165 -10.572 1.00 51.12 C ATOM 507 CG HIS A 33 -26.369 -19.127 -11.526 1.00 1.41 C ATOM 508 ND1 HIS A 33 -26.492 -18.479 -12.708 1.00 61.41 N flip ATOM 509 CD2 HIS A 33 -27.527 -19.824 -11.276 1.00 73.53 C flip ATOM 510 CE1 HIS A 33 -27.738 -18.777 -13.195 1.00 31.23 C flip ATOM 511 NE2 HIS A 33 -28.323 -19.585 -12.304 1.00 10.50 N flip ATOM 0 H HIS A 33 -24.321 -16.812 -10.792 1.00 31.53 H new ATOM 0 HA HIS A 33 -26.332 -18.041 -9.138 1.00 15.25 H new ATOM 0 HB2 HIS A 33 -24.288 -19.025 -11.130 1.00 51.12 H new ATOM 0 HB3 HIS A 33 -25.164 -20.153 -10.114 1.00 51.12 H new ATOM 0 HD1 HIS A 33 -25.792 -17.884 -13.151 1.00 61.41 H new ATOM 0 HD2 HIS A 33 -27.742 -20.441 -10.416 1.00 73.53 H new ATOM 0 HE1 HIS A 33 -28.166 -18.426 -14.122 1.00 31.23 H new ATOM 519 N PHE A 34 -23.117 -18.380 -8.412 1.00 53.32 N ATOM 520 CA PHE A 34 -22.217 -18.860 -7.370 1.00 31.33 C ATOM 521 C PHE A 34 -22.193 -17.939 -6.154 1.00 4.42 C ATOM 522 O PHE A 34 -21.809 -18.360 -5.065 1.00 4.55 O ATOM 523 CB PHE A 34 -20.808 -19.072 -7.918 1.00 63.14 C ATOM 524 CG PHE A 34 -20.635 -20.406 -8.582 1.00 43.22 C ATOM 525 CD1 PHE A 34 -20.130 -21.481 -7.872 1.00 72.42 C ATOM 526 CD2 PHE A 34 -20.990 -20.587 -9.906 1.00 11.11 C ATOM 527 CE1 PHE A 34 -19.982 -22.715 -8.472 1.00 70.04 C ATOM 528 CE2 PHE A 34 -20.842 -21.818 -10.512 1.00 44.35 C ATOM 529 CZ PHE A 34 -20.338 -22.884 -9.795 1.00 22.42 C ATOM 0 H PHE A 34 -22.656 -17.949 -9.213 1.00 53.32 H new ATOM 0 HA PHE A 34 -22.606 -19.821 -7.035 1.00 31.33 H new ATOM 0 HB2 PHE A 34 -20.580 -18.283 -8.634 1.00 63.14 H new ATOM 0 HB3 PHE A 34 -20.089 -18.981 -7.104 1.00 63.14 H new ATOM 0 HD1 PHE A 34 -19.849 -21.353 -6.837 1.00 72.42 H new ATOM 0 HD2 PHE A 34 -21.387 -19.757 -10.471 1.00 11.11 H new ATOM 0 HE1 PHE A 34 -19.588 -23.547 -7.907 1.00 70.04 H new ATOM 0 HE2 PHE A 34 -21.121 -21.947 -11.547 1.00 44.35 H new ATOM 0 HZ PHE A 34 -20.222 -23.848 -10.268 1.00 22.42 H new ATOM 539 N GLU A 35 -22.635 -16.700 -6.318 1.00 23.21 N ATOM 540 CA GLU A 35 -22.693 -15.761 -5.201 1.00 34.43 C ATOM 541 C GLU A 35 -23.872 -16.075 -4.279 1.00 41.35 C ATOM 542 O GLU A 35 -24.216 -15.287 -3.403 1.00 70.51 O ATOM 543 CB GLU A 35 -22.781 -14.315 -5.688 1.00 52.41 C ATOM 544 CG GLU A 35 -21.493 -13.815 -6.314 1.00 41.14 C ATOM 545 CD GLU A 35 -21.524 -12.333 -6.608 1.00 43.51 C ATOM 546 OE1 GLU A 35 -20.901 -11.557 -5.852 1.00 54.32 O ATOM 547 OE2 GLU A 35 -22.167 -11.934 -7.597 1.00 64.21 O ATOM 0 H GLU A 35 -22.958 -16.321 -7.208 1.00 23.21 H new ATOM 0 HA GLU A 35 -21.767 -15.876 -4.637 1.00 34.43 H new ATOM 0 HB2 GLU A 35 -23.587 -14.232 -6.417 1.00 52.41 H new ATOM 0 HB3 GLU A 35 -23.043 -13.671 -4.848 1.00 52.41 H new ATOM 0 HG2 GLU A 35 -20.661 -14.031 -5.644 1.00 41.14 H new ATOM 0 HG3 GLU A 35 -21.308 -14.361 -7.239 1.00 41.14 H new ATOM 554 N GLN A 36 -24.477 -17.239 -4.478 1.00 50.42 N ATOM 555 CA GLN A 36 -25.587 -17.683 -3.647 1.00 15.32 C ATOM 556 C GLN A 36 -25.085 -18.382 -2.388 1.00 51.03 C ATOM 557 O GLN A 36 -25.735 -18.346 -1.343 1.00 10.24 O ATOM 558 CB GLN A 36 -26.489 -18.633 -4.429 1.00 63.41 C ATOM 559 CG GLN A 36 -27.353 -17.949 -5.473 1.00 74.11 C ATOM 560 CD GLN A 36 -28.151 -18.938 -6.299 1.00 60.01 C ATOM 561 OE1 GLN A 36 -29.289 -19.273 -5.971 1.00 63.12 O ATOM 562 NE2 GLN A 36 -27.541 -19.431 -7.361 1.00 4.25 N ATOM 0 H GLN A 36 -24.215 -17.896 -5.213 1.00 50.42 H new ATOM 0 HA GLN A 36 -26.156 -16.801 -3.354 1.00 15.32 H new ATOM 0 HB2 GLN A 36 -25.869 -19.383 -4.921 1.00 63.41 H new ATOM 0 HB3 GLN A 36 -27.135 -19.162 -3.729 1.00 63.41 H new ATOM 0 HG2 GLN A 36 -28.036 -17.257 -4.979 1.00 74.11 H new ATOM 0 HG3 GLN A 36 -26.720 -17.356 -6.133 1.00 74.11 H new ATOM 0 HE21 GLN A 36 -26.597 -19.124 -7.595 1.00 4.25 H new ATOM 0 HE22 GLN A 36 -28.014 -20.119 -7.947 1.00 4.25 H new ATOM 571 N TRP A 37 -23.926 -19.021 -2.495 1.00 51.32 N ATOM 572 CA TRP A 37 -23.359 -19.766 -1.378 1.00 23.34 C ATOM 573 C TRP A 37 -22.149 -19.034 -0.816 1.00 75.01 C ATOM 574 O TRP A 37 -21.374 -19.591 -0.040 1.00 40.31 O ATOM 575 CB TRP A 37 -22.970 -21.185 -1.816 1.00 54.31 C ATOM 576 CG TRP A 37 -24.131 -21.984 -2.335 1.00 33.33 C ATOM 577 CD1 TRP A 37 -24.903 -22.860 -1.629 1.00 25.52 C ATOM 578 CD2 TRP A 37 -24.654 -21.982 -3.671 1.00 2.23 C ATOM 579 NE1 TRP A 37 -25.881 -23.385 -2.434 1.00 63.54 N ATOM 580 CE2 TRP A 37 -25.748 -22.867 -3.692 1.00 63.23 C ATOM 581 CE3 TRP A 37 -24.309 -21.316 -4.848 1.00 64.34 C ATOM 582 CZ2 TRP A 37 -26.497 -23.103 -4.841 1.00 14.21 C ATOM 583 CZ3 TRP A 37 -25.053 -21.552 -5.988 1.00 53.54 C ATOM 584 CH2 TRP A 37 -26.135 -22.438 -5.977 1.00 72.43 C ATOM 0 H TRP A 37 -23.361 -19.038 -3.344 1.00 51.32 H new ATOM 0 HA TRP A 37 -24.115 -19.844 -0.596 1.00 23.34 H new ATOM 0 HB2 TRP A 37 -22.205 -21.122 -2.590 1.00 54.31 H new ATOM 0 HB3 TRP A 37 -22.525 -21.710 -0.971 1.00 54.31 H new ATOM 0 HD1 TRP A 37 -24.764 -23.105 -0.586 1.00 25.52 H new ATOM 0 HE1 TRP A 37 -26.593 -24.054 -2.141 1.00 63.54 H new ATOM 0 HE3 TRP A 37 -23.476 -20.629 -4.867 1.00 64.34 H new ATOM 0 HZ2 TRP A 37 -27.333 -23.787 -4.834 1.00 14.21 H new ATOM 0 HZ3 TRP A 37 -24.794 -21.043 -6.905 1.00 53.54 H new ATOM 0 HH2 TRP A 37 -26.696 -22.599 -6.886 1.00 72.43 H new ATOM 595 N GLY A 38 -22.004 -17.774 -1.203 1.00 25.41 N ATOM 596 CA GLY A 38 -20.888 -16.981 -0.730 1.00 14.22 C ATOM 597 C GLY A 38 -20.669 -15.734 -1.560 1.00 74.05 C ATOM 598 O GLY A 38 -21.573 -15.287 -2.261 1.00 33.24 O ATOM 0 H GLY A 38 -22.639 -17.287 -1.836 1.00 25.41 H new ATOM 0 HA2 GLY A 38 -21.063 -16.697 0.308 1.00 14.22 H new ATOM 0 HA3 GLY A 38 -19.983 -17.588 -0.746 1.00 14.22 H new ATOM 602 N THR A 39 -19.471 -15.177 -1.479 1.00 35.52 N ATOM 603 CA THR A 39 -19.127 -13.970 -2.212 1.00 14.34 C ATOM 604 C THR A 39 -17.915 -14.210 -3.105 1.00 63.52 C ATOM 605 O THR A 39 -16.870 -14.641 -2.636 1.00 61.02 O ATOM 606 CB THR A 39 -18.839 -12.815 -1.233 1.00 63.34 C ATOM 607 OG1 THR A 39 -20.064 -12.374 -0.635 1.00 25.45 O ATOM 608 CG2 THR A 39 -18.149 -11.645 -1.920 1.00 25.52 C ATOM 0 H THR A 39 -18.713 -15.547 -0.906 1.00 35.52 H new ATOM 0 HA THR A 39 -19.974 -13.699 -2.842 1.00 14.34 H new ATOM 0 HB THR A 39 -18.163 -13.191 -0.465 1.00 63.34 H new ATOM 0 HG1 THR A 39 -19.878 -11.641 -0.012 1.00 25.45 H new ATOM 0 HG21 THR A 39 -17.965 -10.854 -1.193 1.00 25.52 H new ATOM 0 HG22 THR A 39 -17.201 -11.978 -2.342 1.00 25.52 H new ATOM 0 HG23 THR A 39 -18.787 -11.264 -2.718 1.00 25.52 H new ATOM 616 N LEU A 40 -18.058 -13.938 -4.394 1.00 15.40 N ATOM 617 CA LEU A 40 -16.965 -14.148 -5.327 1.00 32.31 C ATOM 618 C LEU A 40 -16.134 -12.883 -5.464 1.00 2.03 C ATOM 619 O LEU A 40 -16.546 -11.923 -6.116 1.00 55.52 O ATOM 620 CB LEU A 40 -17.505 -14.580 -6.686 1.00 61.14 C ATOM 621 CG LEU A 40 -18.459 -15.763 -6.631 1.00 13.35 C ATOM 622 CD1 LEU A 40 -19.169 -15.946 -7.950 1.00 32.43 C ATOM 623 CD2 LEU A 40 -17.722 -17.025 -6.230 1.00 70.00 C ATOM 0 H LEU A 40 -18.914 -13.574 -4.814 1.00 15.40 H new ATOM 0 HA LEU A 40 -16.325 -14.941 -4.940 1.00 32.31 H new ATOM 0 HB2 LEU A 40 -18.018 -13.735 -7.146 1.00 61.14 H new ATOM 0 HB3 LEU A 40 -16.666 -14.834 -7.334 1.00 61.14 H new ATOM 0 HG LEU A 40 -19.214 -15.556 -5.873 1.00 13.35 H new ATOM 0 HD11 LEU A 40 -19.845 -16.798 -7.884 1.00 32.43 H new ATOM 0 HD12 LEU A 40 -19.740 -15.047 -8.184 1.00 32.43 H new ATOM 0 HD13 LEU A 40 -18.436 -16.125 -8.736 1.00 32.43 H new ATOM 0 HD21 LEU A 40 -18.422 -17.860 -6.196 1.00 70.00 H new ATOM 0 HD22 LEU A 40 -16.940 -17.237 -6.959 1.00 70.00 H new ATOM 0 HD23 LEU A 40 -17.274 -16.887 -5.246 1.00 70.00 H new ATOM 635 N THR A 41 -14.968 -12.891 -4.838 1.00 23.31 N ATOM 636 CA THR A 41 -14.048 -11.771 -4.907 1.00 1.25 C ATOM 637 C THR A 41 -13.429 -11.711 -6.294 1.00 2.33 C ATOM 638 O THR A 41 -12.966 -10.665 -6.755 1.00 35.15 O ATOM 639 CB THR A 41 -12.938 -11.910 -3.846 1.00 34.21 C ATOM 640 OG1 THR A 41 -12.255 -13.161 -4.017 1.00 1.21 O ATOM 641 CG2 THR A 41 -13.521 -11.836 -2.444 1.00 51.44 C ATOM 0 H THR A 41 -14.635 -13.671 -4.271 1.00 23.31 H new ATOM 0 HA THR A 41 -14.599 -10.852 -4.709 1.00 1.25 H new ATOM 0 HB THR A 41 -12.234 -11.088 -3.975 1.00 34.21 H new ATOM 0 HG1 THR A 41 -12.571 -13.801 -3.345 1.00 1.21 H new ATOM 0 HG21 THR A 41 -12.720 -11.936 -1.711 1.00 51.44 H new ATOM 0 HG22 THR A 41 -14.020 -10.876 -2.308 1.00 51.44 H new ATOM 0 HG23 THR A 41 -14.242 -12.642 -2.307 1.00 51.44 H new ATOM 649 N ASP A 42 -13.435 -12.858 -6.953 1.00 52.05 N ATOM 650 CA ASP A 42 -12.943 -12.982 -8.307 1.00 34.44 C ATOM 651 C ASP A 42 -13.824 -13.947 -9.078 1.00 35.51 C ATOM 652 O ASP A 42 -14.042 -15.071 -8.645 1.00 3.23 O ATOM 653 CB ASP A 42 -11.502 -13.477 -8.299 1.00 33.11 C ATOM 654 CG ASP A 42 -10.975 -13.758 -9.686 1.00 31.55 C ATOM 655 OD1 ASP A 42 -10.665 -14.935 -9.977 1.00 1.22 O ATOM 656 OD2 ASP A 42 -10.877 -12.805 -10.487 1.00 42.41 O ATOM 0 H ASP A 42 -13.784 -13.731 -6.558 1.00 52.05 H new ATOM 0 HA ASP A 42 -12.971 -12.006 -8.791 1.00 34.44 H new ATOM 0 HB2 ASP A 42 -10.869 -12.731 -7.818 1.00 33.11 H new ATOM 0 HB3 ASP A 42 -11.437 -14.385 -7.699 1.00 33.11 H new ATOM 661 N CYS A 43 -14.348 -13.505 -10.197 1.00 52.42 N ATOM 662 CA CYS A 43 -15.220 -14.343 -10.997 1.00 42.15 C ATOM 663 C CYS A 43 -14.999 -14.077 -12.473 1.00 32.32 C ATOM 664 O CYS A 43 -14.973 -12.925 -12.914 1.00 64.33 O ATOM 665 CB CYS A 43 -16.679 -14.097 -10.616 1.00 71.14 C ATOM 666 SG CYS A 43 -17.138 -12.352 -10.577 1.00 14.03 S ATOM 0 H CYS A 43 -14.188 -12.572 -10.577 1.00 52.42 H new ATOM 0 HA CYS A 43 -14.982 -15.388 -10.800 1.00 42.15 H new ATOM 0 HB2 CYS A 43 -17.323 -14.616 -11.326 1.00 71.14 H new ATOM 0 HB3 CYS A 43 -16.867 -14.535 -9.636 1.00 71.14 H new ATOM 0 HG CYS A 43 -16.488 -11.712 -11.503 1.00 14.03 H new ATOM 672 N VAL A 44 -14.832 -15.143 -13.235 1.00 14.53 N ATOM 673 CA VAL A 44 -14.543 -15.012 -14.650 1.00 72.14 C ATOM 674 C VAL A 44 -14.768 -16.331 -15.373 1.00 53.14 C ATOM 675 O VAL A 44 -14.442 -17.397 -14.859 1.00 31.40 O ATOM 676 CB VAL A 44 -13.086 -14.538 -14.874 1.00 12.21 C ATOM 677 CG1 VAL A 44 -12.095 -15.546 -14.309 1.00 45.31 C ATOM 678 CG2 VAL A 44 -12.816 -14.281 -16.350 1.00 44.42 C ATOM 0 H VAL A 44 -14.891 -16.104 -12.899 1.00 14.53 H new ATOM 0 HA VAL A 44 -15.224 -14.265 -15.058 1.00 72.14 H new ATOM 0 HB VAL A 44 -12.953 -13.597 -14.340 1.00 12.21 H new ATOM 0 HG11 VAL A 44 -11.078 -15.191 -14.478 1.00 45.31 H new ATOM 0 HG12 VAL A 44 -12.265 -15.663 -13.239 1.00 45.31 H new ATOM 0 HG13 VAL A 44 -12.231 -16.507 -14.805 1.00 45.31 H new ATOM 0 HG21 VAL A 44 -11.786 -13.949 -16.479 1.00 44.42 H new ATOM 0 HG22 VAL A 44 -12.975 -15.200 -16.914 1.00 44.42 H new ATOM 0 HG23 VAL A 44 -13.494 -13.509 -16.715 1.00 44.42 H new ATOM 688 N VAL A 45 -15.357 -16.259 -16.548 1.00 55.33 N ATOM 689 CA VAL A 45 -15.471 -17.421 -17.404 1.00 53.41 C ATOM 690 C VAL A 45 -14.535 -17.253 -18.579 1.00 73.10 C ATOM 691 O VAL A 45 -14.232 -16.129 -18.973 1.00 61.44 O ATOM 692 CB VAL A 45 -16.909 -17.637 -17.915 1.00 75.03 C ATOM 693 CG1 VAL A 45 -17.853 -17.854 -16.749 1.00 51.44 C ATOM 694 CG2 VAL A 45 -17.367 -16.470 -18.773 1.00 61.40 C ATOM 0 H VAL A 45 -15.765 -15.407 -16.933 1.00 55.33 H new ATOM 0 HA VAL A 45 -15.204 -18.299 -16.816 1.00 53.41 H new ATOM 0 HB VAL A 45 -16.919 -18.530 -18.540 1.00 75.03 H new ATOM 0 HG11 VAL A 45 -18.865 -18.005 -17.124 1.00 51.44 H new ATOM 0 HG12 VAL A 45 -17.539 -18.733 -16.186 1.00 51.44 H new ATOM 0 HG13 VAL A 45 -17.834 -16.980 -16.098 1.00 51.44 H new ATOM 0 HG21 VAL A 45 -18.385 -16.650 -19.119 1.00 61.40 H new ATOM 0 HG22 VAL A 45 -17.341 -15.553 -18.184 1.00 61.40 H new ATOM 0 HG23 VAL A 45 -16.704 -16.368 -19.632 1.00 61.40 H new ATOM 704 N MET A 46 -14.056 -18.350 -19.124 1.00 44.11 N ATOM 705 CA MET A 46 -13.187 -18.270 -20.279 1.00 21.51 C ATOM 706 C MET A 46 -14.034 -18.133 -21.529 1.00 30.50 C ATOM 707 O MET A 46 -15.109 -18.727 -21.624 1.00 32.24 O ATOM 708 CB MET A 46 -12.260 -19.487 -20.359 1.00 53.02 C ATOM 709 CG MET A 46 -11.385 -19.646 -19.129 1.00 64.32 C ATOM 710 SD MET A 46 -10.461 -18.155 -18.745 1.00 3.52 S ATOM 711 CE MET A 46 -9.750 -18.632 -17.177 1.00 3.42 C ATOM 0 H MET A 46 -14.249 -19.295 -18.793 1.00 44.11 H new ATOM 0 HA MET A 46 -12.547 -17.392 -20.188 1.00 21.51 H new ATOM 0 HB2 MET A 46 -12.861 -20.387 -20.490 1.00 53.02 H new ATOM 0 HB3 MET A 46 -11.625 -19.397 -21.241 1.00 53.02 H new ATOM 0 HG2 MET A 46 -12.008 -19.913 -18.276 1.00 64.32 H new ATOM 0 HG3 MET A 46 -10.689 -20.470 -19.286 1.00 64.32 H new ATOM 0 HE1 MET A 46 -8.846 -18.050 -16.995 1.00 3.42 H new ATOM 0 HE2 MET A 46 -10.469 -18.445 -16.379 1.00 3.42 H new ATOM 0 HE3 MET A 46 -9.500 -19.693 -17.198 1.00 3.42 H new ATOM 856 N ARG A 55 -16.242 -20.455 -23.355 1.00 51.52 N ATOM 857 CA ARG A 55 -15.393 -21.623 -23.552 1.00 34.12 C ATOM 858 C ARG A 55 -16.044 -22.875 -22.973 1.00 72.11 C ATOM 859 O ARG A 55 -15.547 -23.984 -23.159 1.00 13.33 O ATOM 860 CB ARG A 55 -14.036 -21.401 -22.885 1.00 15.24 C ATOM 861 CG ARG A 55 -12.931 -20.974 -23.834 1.00 40.43 C ATOM 862 CD ARG A 55 -12.663 -22.036 -24.884 1.00 10.20 C ATOM 863 NE ARG A 55 -11.409 -21.803 -25.595 1.00 54.15 N ATOM 864 CZ ARG A 55 -10.918 -22.623 -26.523 1.00 21.14 C ATOM 865 NH1 ARG A 55 -11.573 -23.726 -26.854 1.00 2.23 N ATOM 866 NH2 ARG A 55 -9.759 -22.342 -27.101 1.00 4.21 N ATOM 0 HA ARG A 55 -15.256 -21.765 -24.624 1.00 34.12 H new ATOM 0 HB2 ARG A 55 -14.146 -20.642 -22.110 1.00 15.24 H new ATOM 0 HB3 ARG A 55 -13.735 -22.323 -22.388 1.00 15.24 H new ATOM 0 HG2 ARG A 55 -13.209 -20.040 -24.322 1.00 40.43 H new ATOM 0 HG3 ARG A 55 -12.019 -20.780 -23.269 1.00 40.43 H new ATOM 0 HD2 ARG A 55 -12.632 -23.016 -24.408 1.00 10.20 H new ATOM 0 HD3 ARG A 55 -13.486 -22.054 -25.598 1.00 10.20 H new ATOM 0 HE ARG A 55 -10.878 -20.963 -25.368 1.00 54.15 H new ATOM 0 HH11 ARG A 55 -12.457 -23.950 -26.398 1.00 2.23 H new ATOM 0 HH12 ARG A 55 -11.193 -24.351 -27.565 1.00 2.23 H new ATOM 0 HH21 ARG A 55 -9.247 -21.501 -26.835 1.00 4.21 H new ATOM 0 HH22 ARG A 55 -9.379 -22.967 -27.812 1.00 4.21 H new ATOM 880 N GLY A 56 -17.148 -22.687 -22.258 1.00 61.24 N ATOM 881 CA GLY A 56 -17.845 -23.811 -21.663 1.00 74.54 C ATOM 882 C GLY A 56 -17.360 -24.118 -20.258 1.00 51.43 C ATOM 883 O GLY A 56 -17.607 -25.208 -19.732 1.00 34.02 O ATOM 0 H GLY A 56 -17.572 -21.777 -22.080 1.00 61.24 H new ATOM 0 HA2 GLY A 56 -18.914 -23.599 -21.637 1.00 74.54 H new ATOM 0 HA3 GLY A 56 -17.710 -24.692 -22.291 1.00 74.54 H new ATOM 887 N PHE A 57 -16.686 -23.147 -19.641 1.00 23.21 N ATOM 888 CA PHE A 57 -16.168 -23.302 -18.286 1.00 20.03 C ATOM 889 C PHE A 57 -15.644 -21.963 -17.758 1.00 63.50 C ATOM 890 O PHE A 57 -15.393 -21.037 -18.535 1.00 72.14 O ATOM 891 CB PHE A 57 -15.061 -24.370 -18.238 1.00 62.20 C ATOM 892 CG PHE A 57 -13.761 -23.948 -18.859 1.00 73.34 C ATOM 893 CD1 PHE A 57 -12.692 -23.593 -18.060 1.00 31.32 C ATOM 894 CD2 PHE A 57 -13.611 -23.904 -20.235 1.00 51.52 C ATOM 895 CE1 PHE A 57 -11.493 -23.198 -18.620 1.00 61.14 C ATOM 896 CE2 PHE A 57 -12.415 -23.513 -20.802 1.00 10.40 C ATOM 897 CZ PHE A 57 -11.355 -23.158 -19.994 1.00 24.52 C ATOM 0 H PHE A 57 -16.486 -22.240 -20.063 1.00 23.21 H new ATOM 0 HA PHE A 57 -16.986 -23.634 -17.646 1.00 20.03 H new ATOM 0 HB2 PHE A 57 -14.881 -24.642 -17.198 1.00 62.20 H new ATOM 0 HB3 PHE A 57 -15.417 -25.267 -18.745 1.00 62.20 H new ATOM 0 HD1 PHE A 57 -12.795 -23.625 -16.985 1.00 31.32 H new ATOM 0 HD2 PHE A 57 -14.439 -24.179 -20.871 1.00 51.52 H new ATOM 0 HE1 PHE A 57 -10.665 -22.921 -17.985 1.00 61.14 H new ATOM 0 HE2 PHE A 57 -12.309 -23.485 -21.876 1.00 10.40 H new ATOM 0 HZ PHE A 57 -10.419 -22.849 -20.435 1.00 24.52 H new ATOM 907 N GLY A 58 -15.491 -21.865 -16.442 1.00 22.03 N ATOM 908 CA GLY A 58 -15.008 -20.639 -15.833 1.00 2.25 C ATOM 909 C GLY A 58 -14.435 -20.861 -14.444 1.00 72.11 C ATOM 910 O GLY A 58 -14.272 -22.000 -14.008 1.00 64.10 O ATOM 0 H GLY A 58 -15.694 -22.617 -15.783 1.00 22.03 H new ATOM 0 HA2 GLY A 58 -14.242 -20.198 -16.471 1.00 2.25 H new ATOM 0 HA3 GLY A 58 -15.826 -19.921 -15.774 1.00 2.25 H new ATOM 914 N PHE A 59 -14.131 -19.769 -13.753 1.00 35.54 N ATOM 915 CA PHE A 59 -13.559 -19.825 -12.412 1.00 23.43 C ATOM 916 C PHE A 59 -14.276 -18.859 -11.477 1.00 70.23 C ATOM 917 O PHE A 59 -14.822 -17.842 -11.914 1.00 2.13 O ATOM 918 CB PHE A 59 -12.071 -19.475 -12.442 1.00 51.11 C ATOM 919 CG PHE A 59 -11.204 -20.502 -13.112 1.00 31.11 C ATOM 920 CD1 PHE A 59 -10.650 -21.537 -12.379 1.00 33.34 C ATOM 921 CD2 PHE A 59 -10.931 -20.424 -14.466 1.00 63.44 C ATOM 922 CE1 PHE A 59 -9.838 -22.474 -12.985 1.00 75.13 C ATOM 923 CE2 PHE A 59 -10.122 -21.361 -15.079 1.00 41.10 C ATOM 924 CZ PHE A 59 -9.575 -22.386 -14.338 1.00 21.52 C ATOM 0 H PHE A 59 -14.273 -18.822 -14.105 1.00 35.54 H new ATOM 0 HA PHE A 59 -13.684 -20.844 -12.045 1.00 23.43 H new ATOM 0 HB2 PHE A 59 -11.945 -18.521 -12.954 1.00 51.11 H new ATOM 0 HB3 PHE A 59 -11.723 -19.335 -11.419 1.00 51.11 H new ATOM 0 HD1 PHE A 59 -10.855 -21.612 -11.321 1.00 33.34 H new ATOM 0 HD2 PHE A 59 -11.355 -19.621 -15.051 1.00 63.44 H new ATOM 0 HE1 PHE A 59 -9.409 -23.275 -12.402 1.00 75.13 H new ATOM 0 HE2 PHE A 59 -9.919 -21.290 -16.137 1.00 41.10 H new ATOM 0 HZ PHE A 59 -8.942 -23.119 -14.815 1.00 21.52 H new ATOM 934 N VAL A 60 -14.252 -19.175 -10.188 1.00 1.14 N ATOM 935 CA VAL A 60 -14.903 -18.356 -9.170 1.00 41.35 C ATOM 936 C VAL A 60 -14.175 -18.433 -7.838 1.00 1.24 C ATOM 937 O VAL A 60 -14.150 -19.472 -7.187 1.00 54.25 O ATOM 938 CB VAL A 60 -16.382 -18.723 -8.977 1.00 34.44 C ATOM 939 CG1 VAL A 60 -17.238 -17.845 -9.858 1.00 61.53 C ATOM 940 CG2 VAL A 60 -16.640 -20.186 -9.274 1.00 13.35 C ATOM 0 H VAL A 60 -13.783 -20.002 -9.819 1.00 1.14 H new ATOM 0 HA VAL A 60 -14.857 -17.331 -9.537 1.00 41.35 H new ATOM 0 HB VAL A 60 -16.643 -18.555 -7.932 1.00 34.44 H new ATOM 0 HG11 VAL A 60 -18.288 -18.105 -9.721 1.00 61.53 H new ATOM 0 HG12 VAL A 60 -17.085 -16.800 -9.589 1.00 61.53 H new ATOM 0 HG13 VAL A 60 -16.960 -17.995 -10.901 1.00 61.53 H new ATOM 0 HG21 VAL A 60 -17.697 -20.406 -9.126 1.00 13.35 H new ATOM 0 HG22 VAL A 60 -16.365 -20.402 -10.307 1.00 13.35 H new ATOM 0 HG23 VAL A 60 -16.043 -20.804 -8.603 1.00 13.35 H new ATOM 950 N THR A 61 -13.581 -17.321 -7.448 1.00 41.43 N ATOM 951 CA THR A 61 -12.838 -17.234 -6.207 1.00 3.30 C ATOM 952 C THR A 61 -13.714 -16.609 -5.135 1.00 25.13 C ATOM 953 O THR A 61 -14.120 -15.452 -5.255 1.00 45.20 O ATOM 954 CB THR A 61 -11.571 -16.372 -6.376 1.00 10.35 C ATOM 955 OG1 THR A 61 -10.957 -16.645 -7.647 1.00 30.40 O ATOM 956 CG2 THR A 61 -10.572 -16.645 -5.262 1.00 71.33 C ATOM 0 H THR A 61 -13.601 -16.453 -7.983 1.00 41.43 H new ATOM 0 HA THR A 61 -12.542 -18.243 -5.919 1.00 3.30 H new ATOM 0 HB THR A 61 -11.867 -15.324 -6.329 1.00 10.35 H new ATOM 0 HG1 THR A 61 -11.536 -16.319 -8.367 1.00 30.40 H new ATOM 0 HG21 THR A 61 -9.688 -16.024 -5.406 1.00 71.33 H new ATOM 0 HG22 THR A 61 -11.027 -16.411 -4.300 1.00 71.33 H new ATOM 0 HG23 THR A 61 -10.284 -17.696 -5.281 1.00 71.33 H new ATOM 964 N TYR A 62 -14.015 -17.372 -4.103 1.00 45.33 N ATOM 965 CA TYR A 62 -14.852 -16.885 -3.019 1.00 34.41 C ATOM 966 C TYR A 62 -14.049 -16.029 -2.050 1.00 62.44 C ATOM 967 O TYR A 62 -12.833 -15.865 -2.199 1.00 15.21 O ATOM 968 CB TYR A 62 -15.493 -18.055 -2.278 1.00 73.54 C ATOM 969 CG TYR A 62 -16.699 -18.643 -2.977 1.00 72.23 C ATOM 970 CD1 TYR A 62 -17.974 -18.162 -2.713 1.00 62.44 C ATOM 971 CD2 TYR A 62 -16.569 -19.687 -3.880 1.00 51.23 C ATOM 972 CE1 TYR A 62 -19.084 -18.706 -3.325 1.00 61.24 C ATOM 973 CE2 TYR A 62 -17.675 -20.233 -4.501 1.00 14.34 C ATOM 974 CZ TYR A 62 -18.928 -19.741 -4.217 1.00 50.13 C ATOM 975 OH TYR A 62 -20.032 -20.285 -4.829 1.00 11.21 O ATOM 0 H TYR A 62 -13.693 -18.333 -3.990 1.00 45.33 H new ATOM 0 HA TYR A 62 -15.637 -16.265 -3.452 1.00 34.41 H new ATOM 0 HB2 TYR A 62 -14.747 -18.838 -2.143 1.00 73.54 H new ATOM 0 HB3 TYR A 62 -15.789 -17.722 -1.283 1.00 73.54 H new ATOM 0 HD1 TYR A 62 -18.099 -17.347 -2.016 1.00 62.44 H new ATOM 0 HD2 TYR A 62 -15.587 -20.079 -4.101 1.00 51.23 H new ATOM 0 HE1 TYR A 62 -20.069 -18.322 -3.105 1.00 61.24 H new ATOM 0 HE2 TYR A 62 -17.557 -21.042 -5.206 1.00 14.34 H new ATOM 0 HH TYR A 62 -20.792 -19.674 -4.736 1.00 11.21 H new ATOM 985 N ALA A 63 -14.738 -15.476 -1.063 1.00 14.41 N ATOM 986 CA ALA A 63 -14.103 -14.644 -0.061 1.00 12.14 C ATOM 987 C ALA A 63 -13.292 -15.510 0.888 1.00 12.51 C ATOM 988 O ALA A 63 -12.242 -15.103 1.388 1.00 5.12 O ATOM 989 CB ALA A 63 -15.152 -13.843 0.697 1.00 42.31 C ATOM 0 H ALA A 63 -15.744 -15.592 -0.937 1.00 14.41 H new ATOM 0 HA ALA A 63 -13.428 -13.942 -0.551 1.00 12.14 H new ATOM 0 HB1 ALA A 63 -14.663 -13.222 1.447 1.00 42.31 H new ATOM 0 HB2 ALA A 63 -15.699 -13.208 -0.000 1.00 42.31 H new ATOM 0 HB3 ALA A 63 -15.846 -14.525 1.187 1.00 42.31 H new ATOM 995 N THR A 64 -13.773 -16.722 1.107 1.00 63.45 N ATOM 996 CA THR A 64 -13.096 -17.655 1.977 1.00 52.33 C ATOM 997 C THR A 64 -13.330 -19.091 1.516 1.00 14.11 C ATOM 998 O THR A 64 -14.227 -19.365 0.717 1.00 31.42 O ATOM 999 CB THR A 64 -13.549 -17.481 3.444 1.00 70.52 C ATOM 1000 OG1 THR A 64 -12.921 -18.461 4.281 1.00 21.25 O ATOM 1001 CG2 THR A 64 -15.061 -17.590 3.569 1.00 2.42 C ATOM 0 H THR A 64 -14.633 -17.079 0.691 1.00 63.45 H new ATOM 0 HA THR A 64 -12.028 -17.442 1.925 1.00 52.33 H new ATOM 0 HB THR A 64 -13.247 -16.485 3.769 1.00 70.52 H new ATOM 0 HG1 THR A 64 -13.216 -18.337 5.207 1.00 21.25 H new ATOM 0 HG21 THR A 64 -15.350 -17.463 4.612 1.00 2.42 H new ATOM 0 HG22 THR A 64 -15.533 -16.815 2.965 1.00 2.42 H new ATOM 0 HG23 THR A 64 -15.385 -18.570 3.219 1.00 2.42 H new ATOM 1009 N VAL A 65 -12.501 -19.990 2.027 1.00 40.03 N ATOM 1010 CA VAL A 65 -12.566 -21.411 1.708 1.00 21.54 C ATOM 1011 C VAL A 65 -13.921 -22.012 2.093 1.00 73.50 C ATOM 1012 O VAL A 65 -14.424 -22.916 1.420 1.00 3.42 O ATOM 1013 CB VAL A 65 -11.419 -22.159 2.433 1.00 30.51 C ATOM 1014 CG1 VAL A 65 -11.383 -21.799 3.911 1.00 51.21 C ATOM 1015 CG2 VAL A 65 -11.531 -23.662 2.261 1.00 24.41 C ATOM 0 H VAL A 65 -11.756 -19.752 2.682 1.00 40.03 H new ATOM 0 HA VAL A 65 -12.451 -21.525 0.630 1.00 21.54 H new ATOM 0 HB VAL A 65 -10.485 -21.838 1.972 1.00 30.51 H new ATOM 0 HG11 VAL A 65 -10.569 -22.337 4.397 1.00 51.21 H new ATOM 0 HG12 VAL A 65 -11.225 -20.726 4.020 1.00 51.21 H new ATOM 0 HG13 VAL A 65 -12.329 -22.075 4.376 1.00 51.21 H new ATOM 0 HG21 VAL A 65 -10.709 -24.150 2.784 1.00 24.41 H new ATOM 0 HG22 VAL A 65 -12.479 -24.006 2.674 1.00 24.41 H new ATOM 0 HG23 VAL A 65 -11.486 -23.911 1.201 1.00 24.41 H new ATOM 1025 N GLU A 66 -14.517 -21.477 3.153 1.00 21.31 N ATOM 1026 CA GLU A 66 -15.796 -21.968 3.658 1.00 71.34 C ATOM 1027 C GLU A 66 -16.887 -21.880 2.598 1.00 41.14 C ATOM 1028 O GLU A 66 -17.720 -22.778 2.468 1.00 5.03 O ATOM 1029 CB GLU A 66 -16.207 -21.167 4.894 1.00 44.31 C ATOM 1030 CG GLU A 66 -15.207 -21.253 6.032 1.00 62.03 C ATOM 1031 CD GLU A 66 -15.036 -22.668 6.543 1.00 31.34 C ATOM 1032 OE1 GLU A 66 -15.837 -23.088 7.404 1.00 75.52 O ATOM 1033 OE2 GLU A 66 -14.108 -23.363 6.084 1.00 33.43 O ATOM 0 H GLU A 66 -14.131 -20.696 3.684 1.00 21.31 H new ATOM 0 HA GLU A 66 -15.672 -23.018 3.925 1.00 71.34 H new ATOM 0 HB2 GLU A 66 -16.337 -20.122 4.613 1.00 44.31 H new ATOM 0 HB3 GLU A 66 -17.175 -21.525 5.244 1.00 44.31 H new ATOM 0 HG2 GLU A 66 -14.243 -20.872 5.695 1.00 62.03 H new ATOM 0 HG3 GLU A 66 -15.535 -20.611 6.850 1.00 62.03 H new ATOM 1040 N GLU A 67 -16.861 -20.803 1.826 1.00 4.11 N ATOM 1041 CA GLU A 67 -17.889 -20.561 0.825 1.00 71.32 C ATOM 1042 C GLU A 67 -17.733 -21.519 -0.349 1.00 12.24 C ATOM 1043 O GLU A 67 -18.721 -21.980 -0.923 1.00 24.02 O ATOM 1044 CB GLU A 67 -17.825 -19.119 0.342 1.00 4.43 C ATOM 1045 CG GLU A 67 -17.728 -18.110 1.468 1.00 45.24 C ATOM 1046 CD GLU A 67 -17.954 -16.689 1.001 1.00 73.44 C ATOM 1047 OE1 GLU A 67 -17.260 -16.250 0.062 1.00 71.03 O ATOM 1048 OE2 GLU A 67 -18.834 -16.009 1.571 1.00 14.33 O ATOM 0 H GLU A 67 -16.140 -20.084 1.874 1.00 4.11 H new ATOM 0 HA GLU A 67 -18.863 -20.735 1.283 1.00 71.32 H new ATOM 0 HB2 GLU A 67 -16.964 -19.002 -0.316 1.00 4.43 H new ATOM 0 HB3 GLU A 67 -18.712 -18.904 -0.253 1.00 4.43 H new ATOM 0 HG2 GLU A 67 -18.462 -18.357 2.235 1.00 45.24 H new ATOM 0 HG3 GLU A 67 -16.744 -18.183 1.932 1.00 45.24 H new ATOM 1055 N VAL A 68 -16.484 -21.821 -0.694 1.00 10.42 N ATOM 1056 CA VAL A 68 -16.194 -22.784 -1.756 1.00 14.43 C ATOM 1057 C VAL A 68 -16.799 -24.142 -1.426 1.00 42.53 C ATOM 1058 O VAL A 68 -17.451 -24.766 -2.266 1.00 11.50 O ATOM 1059 CB VAL A 68 -14.672 -22.943 -1.980 1.00 34.43 C ATOM 1060 CG1 VAL A 68 -14.358 -24.213 -2.760 1.00 22.21 C ATOM 1061 CG2 VAL A 68 -14.121 -21.741 -2.719 1.00 4.34 C ATOM 0 H VAL A 68 -15.657 -21.415 -0.256 1.00 10.42 H new ATOM 0 HA VAL A 68 -16.640 -22.398 -2.672 1.00 14.43 H new ATOM 0 HB VAL A 68 -14.198 -23.015 -1.001 1.00 34.43 H new ATOM 0 HG11 VAL A 68 -13.280 -24.296 -2.901 1.00 22.21 H new ATOM 0 HG12 VAL A 68 -14.719 -25.079 -2.206 1.00 22.21 H new ATOM 0 HG13 VAL A 68 -14.849 -24.174 -3.732 1.00 22.21 H new ATOM 0 HG21 VAL A 68 -13.049 -21.867 -2.870 1.00 4.34 H new ATOM 0 HG22 VAL A 68 -14.615 -21.651 -3.686 1.00 4.34 H new ATOM 0 HG23 VAL A 68 -14.302 -20.840 -2.134 1.00 4.34 H new ATOM 1071 N ASP A 69 -16.598 -24.579 -0.191 1.00 4.11 N ATOM 1072 CA ASP A 69 -17.095 -25.874 0.249 1.00 53.12 C ATOM 1073 C ASP A 69 -18.616 -25.933 0.159 1.00 45.03 C ATOM 1074 O ASP A 69 -19.180 -26.931 -0.285 1.00 63.13 O ATOM 1075 CB ASP A 69 -16.635 -26.165 1.676 1.00 63.04 C ATOM 1076 CG ASP A 69 -17.111 -27.511 2.177 1.00 34.13 C ATOM 1077 OD1 ASP A 69 -16.627 -28.547 1.676 1.00 74.52 O ATOM 1078 OD2 ASP A 69 -17.963 -27.539 3.091 1.00 53.34 O ATOM 0 H ASP A 69 -16.094 -24.055 0.524 1.00 4.11 H new ATOM 0 HA ASP A 69 -16.685 -26.637 -0.413 1.00 53.12 H new ATOM 0 HB2 ASP A 69 -15.546 -26.130 1.717 1.00 63.04 H new ATOM 0 HB3 ASP A 69 -17.004 -25.383 2.340 1.00 63.04 H new ATOM 1083 N ALA A 70 -19.278 -24.849 0.548 1.00 11.24 N ATOM 1084 CA ALA A 70 -20.734 -24.793 0.501 1.00 32.13 C ATOM 1085 C ALA A 70 -21.233 -24.904 -0.933 1.00 11.35 C ATOM 1086 O ALA A 70 -22.253 -25.543 -1.197 1.00 12.34 O ATOM 1087 CB ALA A 70 -21.245 -23.511 1.132 1.00 24.44 C ATOM 0 H ALA A 70 -18.832 -24.001 0.898 1.00 11.24 H new ATOM 0 HA ALA A 70 -21.119 -25.639 1.070 1.00 32.13 H new ATOM 0 HB1 ALA A 70 -22.334 -23.491 1.085 1.00 24.44 H new ATOM 0 HB2 ALA A 70 -20.925 -23.465 2.173 1.00 24.44 H new ATOM 0 HB3 ALA A 70 -20.843 -22.654 0.591 1.00 24.44 H new ATOM 1093 N ALA A 71 -20.503 -24.289 -1.858 1.00 50.34 N ATOM 1094 CA ALA A 71 -20.844 -24.356 -3.272 1.00 10.31 C ATOM 1095 C ALA A 71 -20.670 -25.774 -3.794 1.00 64.51 C ATOM 1096 O ALA A 71 -21.413 -26.227 -4.665 1.00 62.12 O ATOM 1097 CB ALA A 71 -19.984 -23.391 -4.070 1.00 74.44 C ATOM 0 H ALA A 71 -19.670 -23.738 -1.652 1.00 50.34 H new ATOM 0 HA ALA A 71 -21.889 -24.069 -3.389 1.00 10.31 H new ATOM 0 HB1 ALA A 71 -20.251 -23.453 -5.125 1.00 74.44 H new ATOM 0 HB2 ALA A 71 -20.150 -22.375 -3.713 1.00 74.44 H new ATOM 0 HB3 ALA A 71 -18.933 -23.652 -3.946 1.00 74.44 H new ATOM 1103 N MET A 72 -19.688 -26.480 -3.248 1.00 0.31 N ATOM 1104 CA MET A 72 -19.444 -27.861 -3.631 1.00 24.40 C ATOM 1105 C MET A 72 -20.561 -28.762 -3.118 1.00 13.44 C ATOM 1106 O MET A 72 -20.988 -29.689 -3.806 1.00 1.12 O ATOM 1107 CB MET A 72 -18.102 -28.357 -3.093 1.00 20.54 C ATOM 1108 CG MET A 72 -16.894 -27.605 -3.624 1.00 40.20 C ATOM 1109 SD MET A 72 -15.350 -28.426 -3.196 1.00 41.22 S ATOM 1110 CE MET A 72 -14.240 -27.684 -4.381 1.00 65.12 C ATOM 0 H MET A 72 -19.049 -26.118 -2.540 1.00 0.31 H new ATOM 0 HA MET A 72 -19.418 -27.900 -4.720 1.00 24.40 H new ATOM 0 HB2 MET A 72 -18.111 -28.283 -2.006 1.00 20.54 H new ATOM 0 HB3 MET A 72 -17.994 -29.413 -3.340 1.00 20.54 H new ATOM 0 HG2 MET A 72 -16.969 -27.516 -4.708 1.00 40.20 H new ATOM 0 HG3 MET A 72 -16.891 -26.592 -3.221 1.00 40.20 H new ATOM 0 HE1 MET A 72 -13.350 -28.304 -4.483 1.00 65.12 H new ATOM 0 HE2 MET A 72 -14.739 -27.604 -5.347 1.00 65.12 H new ATOM 0 HE3 MET A 72 -13.952 -26.690 -4.038 1.00 65.12 H new ATOM 1120 N ASN A 73 -21.040 -28.480 -1.910 1.00 1.34 N ATOM 1121 CA ASN A 73 -22.138 -29.247 -1.318 1.00 41.21 C ATOM 1122 C ASN A 73 -23.442 -28.981 -2.053 1.00 45.44 C ATOM 1123 O ASN A 73 -24.406 -29.733 -1.920 1.00 31.11 O ATOM 1124 CB ASN A 73 -22.318 -28.914 0.167 1.00 3.02 C ATOM 1125 CG ASN A 73 -21.254 -29.538 1.047 1.00 33.04 C ATOM 1126 OD1 ASN A 73 -21.371 -30.693 1.452 1.00 15.10 O ATOM 1127 ND2 ASN A 73 -20.223 -28.774 1.365 1.00 65.14 N ATOM 0 H ASN A 73 -20.687 -27.727 -1.320 1.00 1.34 H new ATOM 0 HA ASN A 73 -21.879 -30.302 -1.412 1.00 41.21 H new ATOM 0 HB2 ASN A 73 -22.299 -27.832 0.296 1.00 3.02 H new ATOM 0 HB3 ASN A 73 -23.299 -29.257 0.494 1.00 3.02 H new ATOM 0 HD21 ASN A 73 -19.485 -29.138 1.968 1.00 65.14 H new ATOM 0 HD22 ASN A 73 -20.165 -27.821 1.007 1.00 65.14 H new ATOM 1134 N ALA A 74 -23.461 -27.911 -2.834 1.00 43.43 N ATOM 1135 CA ALA A 74 -24.640 -27.531 -3.591 1.00 75.00 C ATOM 1136 C ALA A 74 -24.747 -28.345 -4.881 1.00 31.14 C ATOM 1137 O ALA A 74 -25.703 -28.199 -5.646 1.00 4.14 O ATOM 1138 CB ALA A 74 -24.600 -26.042 -3.890 1.00 4.50 C ATOM 0 H ALA A 74 -22.664 -27.287 -2.959 1.00 43.43 H new ATOM 0 HA ALA A 74 -25.526 -27.745 -2.993 1.00 75.00 H new ATOM 0 HB1 ALA A 74 -25.487 -25.761 -4.458 1.00 4.50 H new ATOM 0 HB2 ALA A 74 -24.577 -25.483 -2.954 1.00 4.50 H new ATOM 0 HB3 ALA A 74 -23.708 -25.812 -4.472 1.00 4.50 H new ATOM 1144 N ARG A 75 -23.757 -29.203 -5.115 1.00 53.05 N ATOM 1145 CA ARG A 75 -23.754 -30.082 -6.279 1.00 21.33 C ATOM 1146 C ARG A 75 -24.874 -31.120 -6.152 1.00 21.41 C ATOM 1147 O ARG A 75 -25.137 -31.617 -5.052 1.00 22.24 O ATOM 1148 CB ARG A 75 -22.388 -30.766 -6.416 1.00 42.12 C ATOM 1149 CG ARG A 75 -22.195 -31.506 -7.728 1.00 45.21 C ATOM 1150 CD ARG A 75 -20.792 -32.070 -7.854 1.00 24.32 C ATOM 1151 NE ARG A 75 -20.585 -32.724 -9.143 1.00 11.50 N ATOM 1152 CZ ARG A 75 -19.411 -33.181 -9.567 1.00 12.12 C ATOM 1153 NH1 ARG A 75 -18.326 -33.041 -8.813 1.00 63.44 N ATOM 1154 NH2 ARG A 75 -19.321 -33.768 -10.754 1.00 42.41 N ATOM 0 H ARG A 75 -22.943 -29.308 -4.510 1.00 53.05 H new ATOM 0 HA ARG A 75 -23.933 -29.491 -7.177 1.00 21.33 H new ATOM 0 HB2 ARG A 75 -21.605 -30.014 -6.317 1.00 42.12 H new ATOM 0 HB3 ARG A 75 -22.261 -31.469 -5.593 1.00 42.12 H new ATOM 0 HG2 ARG A 75 -22.921 -32.316 -7.799 1.00 45.21 H new ATOM 0 HG3 ARG A 75 -22.391 -30.829 -8.560 1.00 45.21 H new ATOM 0 HD2 ARG A 75 -20.065 -31.267 -7.733 1.00 24.32 H new ATOM 0 HD3 ARG A 75 -20.614 -32.785 -7.051 1.00 24.32 H new ATOM 0 HE ARG A 75 -21.392 -32.837 -9.757 1.00 11.50 H new ATOM 0 HH11 ARG A 75 -18.392 -32.581 -7.905 1.00 63.44 H new ATOM 0 HH12 ARG A 75 -17.427 -33.393 -9.142 1.00 63.44 H new ATOM 0 HH21 ARG A 75 -20.151 -33.867 -11.338 1.00 42.41 H new ATOM 0 HH22 ARG A 75 -18.422 -34.120 -11.082 1.00 42.41 H new ATOM 1168 N PRO A 76 -25.557 -31.465 -7.263 1.00 4.31 N ATOM 1169 CA PRO A 76 -25.235 -30.975 -8.605 1.00 12.51 C ATOM 1170 C PRO A 76 -25.598 -29.507 -8.793 1.00 32.03 C ATOM 1171 O PRO A 76 -26.763 -29.118 -8.695 1.00 72.14 O ATOM 1172 CB PRO A 76 -26.060 -31.870 -9.545 1.00 11.42 C ATOM 1173 CG PRO A 76 -26.688 -32.912 -8.679 1.00 42.13 C ATOM 1174 CD PRO A 76 -26.721 -32.351 -7.290 1.00 1.13 C ATOM 0 HA PRO A 76 -24.164 -31.025 -8.801 1.00 12.51 H new ATOM 0 HB2 PRO A 76 -26.819 -31.289 -10.069 1.00 11.42 H new ATOM 0 HB3 PRO A 76 -25.426 -32.326 -10.305 1.00 11.42 H new ATOM 0 HG2 PRO A 76 -27.694 -33.149 -9.025 1.00 42.13 H new ATOM 0 HG3 PRO A 76 -26.114 -33.838 -8.709 1.00 42.13 H new ATOM 0 HD2 PRO A 76 -27.646 -31.808 -7.096 1.00 1.13 H new ATOM 0 HD3 PRO A 76 -26.648 -33.135 -6.537 1.00 1.13 H new ATOM 1182 N HIS A 77 -24.578 -28.702 -9.047 1.00 0.33 N ATOM 1183 CA HIS A 77 -24.736 -27.271 -9.201 1.00 0.41 C ATOM 1184 C HIS A 77 -25.358 -26.954 -10.558 1.00 43.42 C ATOM 1185 O HIS A 77 -24.920 -27.471 -11.574 1.00 30.23 O ATOM 1186 CB HIS A 77 -23.368 -26.607 -9.078 1.00 32.33 C ATOM 1187 CG HIS A 77 -23.432 -25.143 -8.820 1.00 32.43 C ATOM 1188 ND1 HIS A 77 -24.086 -24.297 -9.674 1.00 63.05 N ATOM 1189 CD2 HIS A 77 -22.920 -24.435 -7.793 1.00 20.41 C ATOM 1190 CE1 HIS A 77 -23.966 -23.094 -9.158 1.00 73.12 C ATOM 1191 NE2 HIS A 77 -23.265 -23.123 -8.012 1.00 20.12 N ATOM 0 H HIS A 77 -23.617 -29.027 -9.152 1.00 0.33 H new ATOM 0 HA HIS A 77 -25.398 -26.889 -8.424 1.00 0.41 H new ATOM 0 HB2 HIS A 77 -22.814 -27.085 -8.270 1.00 32.33 H new ATOM 0 HB3 HIS A 77 -22.806 -26.781 -9.996 1.00 32.33 H new ATOM 0 HD2 HIS A 77 -22.350 -24.823 -6.961 1.00 20.41 H new ATOM 0 HE1 HIS A 77 -24.378 -22.198 -9.598 1.00 73.12 H new ATOM 0 HE2 HIS A 77 -23.034 -22.326 -7.419 1.00 20.12 H new ATOM 1199 N LYS A 78 -26.361 -26.093 -10.570 1.00 12.05 N ATOM 1200 CA LYS A 78 -27.102 -25.797 -11.791 1.00 44.14 C ATOM 1201 C LYS A 78 -26.950 -24.321 -12.161 1.00 72.11 C ATOM 1202 O LYS A 78 -27.474 -23.443 -11.472 1.00 20.20 O ATOM 1203 CB LYS A 78 -28.583 -26.152 -11.589 1.00 72.40 C ATOM 1204 CG LYS A 78 -29.502 -25.748 -12.738 1.00 44.33 C ATOM 1205 CD LYS A 78 -29.141 -26.438 -14.045 1.00 24.45 C ATOM 1206 CE LYS A 78 -29.268 -27.953 -13.958 1.00 51.42 C ATOM 1207 NZ LYS A 78 -30.642 -28.395 -13.594 1.00 23.34 N ATOM 0 H LYS A 78 -26.684 -25.584 -9.747 1.00 12.05 H new ATOM 0 HA LYS A 78 -26.701 -26.395 -12.609 1.00 44.14 H new ATOM 0 HB2 LYS A 78 -28.666 -27.228 -11.437 1.00 72.40 H new ATOM 0 HB3 LYS A 78 -28.935 -25.673 -10.675 1.00 72.40 H new ATOM 0 HG2 LYS A 78 -30.532 -25.989 -12.476 1.00 44.33 H new ATOM 0 HG3 LYS A 78 -29.452 -24.668 -12.876 1.00 44.33 H new ATOM 0 HD2 LYS A 78 -29.789 -26.067 -14.839 1.00 24.45 H new ATOM 0 HD3 LYS A 78 -28.119 -26.177 -14.320 1.00 24.45 H new ATOM 0 HE2 LYS A 78 -28.992 -28.392 -14.917 1.00 51.42 H new ATOM 0 HE3 LYS A 78 -28.562 -28.331 -13.219 1.00 51.42 H new ATOM 0 HZ1 LYS A 78 -30.713 -29.427 -13.697 1.00 23.34 H new ATOM 0 HZ2 LYS A 78 -30.842 -28.131 -12.608 1.00 23.34 H new ATOM 0 HZ3 LYS A 78 -31.332 -27.936 -14.222 1.00 23.34 H new ATOM 1221 N VAL A 79 -26.226 -24.048 -13.244 1.00 5.25 N ATOM 1222 CA VAL A 79 -26.005 -22.674 -13.682 1.00 3.22 C ATOM 1223 C VAL A 79 -26.643 -22.431 -15.042 1.00 32.23 C ATOM 1224 O VAL A 79 -26.355 -23.154 -15.998 1.00 54.52 O ATOM 1225 CB VAL A 79 -24.501 -22.327 -13.757 1.00 5.24 C ATOM 1226 CG1 VAL A 79 -24.291 -20.889 -14.211 1.00 4.40 C ATOM 1227 CG2 VAL A 79 -23.816 -22.569 -12.425 1.00 4.24 C ATOM 0 H VAL A 79 -25.785 -24.756 -13.831 1.00 5.25 H new ATOM 0 HA VAL A 79 -26.471 -22.028 -12.938 1.00 3.22 H new ATOM 0 HB VAL A 79 -24.049 -22.987 -14.497 1.00 5.24 H new ATOM 0 HG11 VAL A 79 -23.223 -20.673 -14.254 1.00 4.40 H new ATOM 0 HG12 VAL A 79 -24.729 -20.752 -15.199 1.00 4.40 H new ATOM 0 HG13 VAL A 79 -24.770 -20.211 -13.505 1.00 4.40 H new ATOM 0 HG21 VAL A 79 -22.759 -22.316 -12.508 1.00 4.24 H new ATOM 0 HG22 VAL A 79 -24.279 -21.946 -11.659 1.00 4.24 H new ATOM 0 HG23 VAL A 79 -23.917 -23.619 -12.149 1.00 4.24 H new ATOM 1237 N ASP A 80 -27.515 -21.412 -15.101 1.00 13.43 N ATOM 1238 CA ASP A 80 -28.263 -21.039 -16.318 1.00 63.51 C ATOM 1239 C ASP A 80 -29.279 -22.113 -16.691 1.00 71.20 C ATOM 1240 O ASP A 80 -30.483 -21.866 -16.756 1.00 0.04 O ATOM 1241 CB ASP A 80 -27.312 -20.785 -17.500 1.00 1.43 C ATOM 1242 CG ASP A 80 -28.049 -20.505 -18.800 1.00 50.30 C ATOM 1243 OD1 ASP A 80 -28.826 -19.527 -18.858 1.00 51.23 O ATOM 1244 OD2 ASP A 80 -27.845 -21.259 -19.774 1.00 43.01 O ATOM 0 H ASP A 80 -27.724 -20.817 -14.300 1.00 13.43 H new ATOM 0 HA ASP A 80 -28.798 -20.115 -16.098 1.00 63.51 H new ATOM 0 HB2 ASP A 80 -26.665 -19.940 -17.265 1.00 1.43 H new ATOM 0 HB3 ASP A 80 -26.666 -21.653 -17.634 1.00 1.43 H new ATOM 1249 N GLY A 81 -28.769 -23.300 -16.902 1.00 33.54 N ATOM 1250 CA GLY A 81 -29.570 -24.431 -17.310 1.00 42.42 C ATOM 1251 C GLY A 81 -28.676 -25.603 -17.614 1.00 53.30 C ATOM 1252 O GLY A 81 -28.939 -26.401 -18.513 1.00 51.43 O ATOM 0 H GLY A 81 -27.777 -23.513 -16.795 1.00 33.54 H new ATOM 0 HA2 GLY A 81 -30.274 -24.694 -16.521 1.00 42.42 H new ATOM 0 HA3 GLY A 81 -30.159 -24.173 -18.190 1.00 42.42 H new ATOM 1256 N ARG A 82 -27.591 -25.674 -16.862 1.00 24.14 N ATOM 1257 CA ARG A 82 -26.583 -26.687 -17.047 1.00 74.32 C ATOM 1258 C ARG A 82 -25.948 -27.016 -15.706 1.00 13.34 C ATOM 1259 O ARG A 82 -25.434 -26.127 -15.027 1.00 13.32 O ATOM 1260 CB ARG A 82 -25.523 -26.172 -18.023 1.00 15.23 C ATOM 1261 CG ARG A 82 -24.415 -27.164 -18.303 1.00 63.42 C ATOM 1262 CD ARG A 82 -24.962 -28.437 -18.913 1.00 41.22 C ATOM 1263 NE ARG A 82 -25.713 -28.176 -20.141 1.00 60.25 N ATOM 1264 CZ ARG A 82 -26.242 -29.125 -20.909 1.00 50.53 C ATOM 1265 NH1 ARG A 82 -26.094 -30.406 -20.595 1.00 3.30 N ATOM 1266 NH2 ARG A 82 -26.918 -28.787 -22.000 1.00 44.14 N ATOM 0 H ARG A 82 -27.390 -25.023 -16.103 1.00 24.14 H new ATOM 0 HA ARG A 82 -27.034 -27.591 -17.456 1.00 74.32 H new ATOM 0 HB2 ARG A 82 -26.007 -25.907 -18.963 1.00 15.23 H new ATOM 0 HB3 ARG A 82 -25.086 -25.258 -17.621 1.00 15.23 H new ATOM 0 HG2 ARG A 82 -23.686 -26.718 -18.979 1.00 63.42 H new ATOM 0 HG3 ARG A 82 -23.890 -27.398 -17.377 1.00 63.42 H new ATOM 0 HD2 ARG A 82 -24.139 -29.119 -19.129 1.00 41.22 H new ATOM 0 HD3 ARG A 82 -25.609 -28.936 -18.191 1.00 41.22 H new ATOM 0 HE ARG A 82 -25.839 -27.205 -20.427 1.00 60.25 H new ATOM 0 HH11 ARG A 82 -25.572 -30.669 -19.759 1.00 3.30 H new ATOM 0 HH12 ARG A 82 -26.503 -31.127 -21.189 1.00 3.30 H new ATOM 0 HH21 ARG A 82 -27.030 -27.804 -22.246 1.00 44.14 H new ATOM 0 HH22 ARG A 82 -27.325 -29.511 -22.592 1.00 44.14 H new ATOM 1280 N VAL A 83 -26.016 -28.273 -15.304 1.00 32.44 N ATOM 1281 CA VAL A 83 -25.383 -28.690 -14.065 1.00 53.25 C ATOM 1282 C VAL A 83 -23.881 -28.859 -14.261 1.00 15.22 C ATOM 1283 O VAL A 83 -23.424 -29.666 -15.072 1.00 62.34 O ATOM 1284 CB VAL A 83 -26.012 -29.970 -13.465 1.00 35.52 C ATOM 1285 CG1 VAL A 83 -26.320 -30.990 -14.536 1.00 21.20 C ATOM 1286 CG2 VAL A 83 -25.105 -30.576 -12.408 1.00 62.34 C ATOM 0 H VAL A 83 -26.498 -29.016 -15.811 1.00 32.44 H new ATOM 0 HA VAL A 83 -25.558 -27.895 -13.340 1.00 53.25 H new ATOM 0 HB VAL A 83 -26.951 -29.680 -12.994 1.00 35.52 H new ATOM 0 HG11 VAL A 83 -26.761 -31.876 -14.079 1.00 21.20 H new ATOM 0 HG12 VAL A 83 -27.022 -30.564 -15.253 1.00 21.20 H new ATOM 0 HG13 VAL A 83 -25.400 -31.267 -15.050 1.00 21.20 H new ATOM 0 HG21 VAL A 83 -25.570 -31.474 -12.002 1.00 62.34 H new ATOM 0 HG22 VAL A 83 -24.146 -30.835 -12.856 1.00 62.34 H new ATOM 0 HG23 VAL A 83 -24.948 -29.854 -11.606 1.00 62.34 H new ATOM 1296 N VAL A 84 -23.129 -28.078 -13.507 1.00 21.24 N ATOM 1297 CA VAL A 84 -21.693 -27.978 -13.678 1.00 34.25 C ATOM 1298 C VAL A 84 -20.947 -28.826 -12.655 1.00 61.35 C ATOM 1299 O VAL A 84 -21.555 -29.506 -11.827 1.00 73.52 O ATOM 1300 CB VAL A 84 -21.229 -26.511 -13.543 1.00 34.01 C ATOM 1301 CG1 VAL A 84 -21.938 -25.635 -14.559 1.00 14.11 C ATOM 1302 CG2 VAL A 84 -21.474 -25.993 -12.131 1.00 52.45 C ATOM 0 H VAL A 84 -23.499 -27.494 -12.757 1.00 21.24 H new ATOM 0 HA VAL A 84 -21.464 -28.348 -14.678 1.00 34.25 H new ATOM 0 HB VAL A 84 -20.157 -26.473 -13.739 1.00 34.01 H new ATOM 0 HG11 VAL A 84 -21.600 -24.605 -14.450 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -21.710 -25.987 -15.565 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -23.014 -25.683 -14.393 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -21.139 -24.958 -12.060 1.00 52.45 H new ATOM 0 HG22 VAL A 84 -22.539 -26.047 -11.903 1.00 52.45 H new ATOM 0 HG23 VAL A 84 -20.919 -26.603 -11.418 1.00 52.45 H new ATOM 1312 N GLU A 85 -19.629 -28.765 -12.722 1.00 43.03 N ATOM 1313 CA GLU A 85 -18.773 -29.459 -11.775 1.00 24.20 C ATOM 1314 C GLU A 85 -17.774 -28.476 -11.180 1.00 33.31 C ATOM 1315 O GLU A 85 -16.822 -28.068 -11.846 1.00 14.33 O ATOM 1316 CB GLU A 85 -18.040 -30.622 -12.453 1.00 32.12 C ATOM 1317 CG GLU A 85 -17.076 -31.357 -11.534 1.00 53.41 C ATOM 1318 CD GLU A 85 -16.428 -32.554 -12.198 1.00 41.31 C ATOM 1319 OE1 GLU A 85 -15.400 -32.383 -12.874 1.00 60.15 O ATOM 1320 OE2 GLU A 85 -16.945 -33.683 -12.039 1.00 12.13 O ATOM 0 H GLU A 85 -19.123 -28.235 -13.432 1.00 43.03 H new ATOM 0 HA GLU A 85 -19.391 -29.872 -10.978 1.00 24.20 H new ATOM 0 HB2 GLU A 85 -18.776 -31.330 -12.834 1.00 32.12 H new ATOM 0 HB3 GLU A 85 -17.489 -30.241 -13.313 1.00 32.12 H new ATOM 0 HG2 GLU A 85 -16.300 -30.667 -11.203 1.00 53.41 H new ATOM 0 HG3 GLU A 85 -17.611 -31.687 -10.643 1.00 53.41 H new ATOM 1327 N PRO A 86 -18.005 -28.054 -9.930 1.00 31.11 N ATOM 1328 CA PRO A 86 -17.142 -27.115 -9.241 1.00 75.14 C ATOM 1329 C PRO A 86 -16.037 -27.811 -8.449 1.00 15.15 C ATOM 1330 O PRO A 86 -16.287 -28.419 -7.405 1.00 42.12 O ATOM 1331 CB PRO A 86 -18.114 -26.378 -8.313 1.00 71.51 C ATOM 1332 CG PRO A 86 -19.306 -27.279 -8.147 1.00 75.31 C ATOM 1333 CD PRO A 86 -19.138 -28.449 -9.088 1.00 52.03 C ATOM 0 HA PRO A 86 -16.607 -26.457 -9.926 1.00 75.14 H new ATOM 0 HB2 PRO A 86 -17.648 -26.168 -7.350 1.00 71.51 H new ATOM 0 HB3 PRO A 86 -18.408 -25.419 -8.740 1.00 71.51 H new ATOM 0 HG2 PRO A 86 -19.381 -27.626 -7.116 1.00 75.31 H new ATOM 0 HG3 PRO A 86 -20.226 -26.739 -8.370 1.00 75.31 H new ATOM 0 HD2 PRO A 86 -18.933 -29.373 -8.547 1.00 52.03 H new ATOM 0 HD3 PRO A 86 -20.037 -28.620 -9.680 1.00 52.03 H new ATOM 1341 N LYS A 87 -14.818 -27.733 -8.967 1.00 11.04 N ATOM 1342 CA LYS A 87 -13.663 -28.344 -8.321 1.00 12.42 C ATOM 1343 C LYS A 87 -12.687 -27.274 -7.848 1.00 45.11 C ATOM 1344 O LYS A 87 -12.785 -26.123 -8.248 1.00 0.35 O ATOM 1345 CB LYS A 87 -12.949 -29.290 -9.288 1.00 24.15 C ATOM 1346 CG LYS A 87 -13.803 -30.458 -9.754 1.00 30.34 C ATOM 1347 CD LYS A 87 -13.051 -31.327 -10.748 1.00 12.33 C ATOM 1348 CE LYS A 87 -12.671 -30.543 -11.994 1.00 11.22 C ATOM 1349 NZ LYS A 87 -11.901 -31.373 -12.955 1.00 44.30 N ATOM 0 H LYS A 87 -14.603 -27.249 -9.839 1.00 11.04 H new ATOM 0 HA LYS A 87 -14.018 -28.910 -7.460 1.00 12.42 H new ATOM 0 HB2 LYS A 87 -12.621 -28.723 -10.159 1.00 24.15 H new ATOM 0 HB3 LYS A 87 -12.053 -29.679 -8.805 1.00 24.15 H new ATOM 0 HG2 LYS A 87 -14.102 -31.059 -8.895 1.00 30.34 H new ATOM 0 HG3 LYS A 87 -14.717 -30.083 -10.214 1.00 30.34 H new ATOM 0 HD2 LYS A 87 -12.151 -31.725 -10.278 1.00 12.33 H new ATOM 0 HD3 LYS A 87 -13.669 -32.180 -11.028 1.00 12.33 H new ATOM 0 HE2 LYS A 87 -13.574 -30.170 -12.478 1.00 11.22 H new ATOM 0 HE3 LYS A 87 -12.079 -29.673 -11.710 1.00 11.22 H new ATOM 0 HZ1 LYS A 87 -11.661 -30.803 -13.791 1.00 44.30 H new ATOM 0 HZ2 LYS A 87 -11.027 -31.708 -12.502 1.00 44.30 H new ATOM 0 HZ3 LYS A 87 -12.475 -32.190 -13.246 1.00 44.30 H new ATOM 1363 N ARG A 88 -11.756 -27.660 -6.996 1.00 11.42 N ATOM 1364 CA ARG A 88 -10.725 -26.748 -6.520 1.00 43.23 C ATOM 1365 C ARG A 88 -9.790 -26.369 -7.656 1.00 53.43 C ATOM 1366 O ARG A 88 -9.436 -27.212 -8.484 1.00 71.30 O ATOM 1367 CB ARG A 88 -9.920 -27.392 -5.391 1.00 11.52 C ATOM 1368 CG ARG A 88 -9.828 -26.534 -4.145 1.00 13.11 C ATOM 1369 CD ARG A 88 -11.210 -26.239 -3.604 1.00 23.35 C ATOM 1370 NE ARG A 88 -11.180 -25.671 -2.263 1.00 45.23 N ATOM 1371 CZ ARG A 88 -11.843 -26.193 -1.232 1.00 2.22 C ATOM 1372 NH1 ARG A 88 -12.496 -27.340 -1.367 1.00 3.15 N ATOM 1373 NH2 ARG A 88 -11.827 -25.585 -0.060 1.00 32.31 N ATOM 0 H ARG A 88 -11.690 -28.604 -6.616 1.00 11.42 H new ATOM 0 HA ARG A 88 -11.213 -25.850 -6.142 1.00 43.23 H new ATOM 0 HB2 ARG A 88 -10.375 -28.348 -5.131 1.00 11.52 H new ATOM 0 HB3 ARG A 88 -8.913 -27.606 -5.750 1.00 11.52 H new ATOM 0 HG2 ARG A 88 -9.235 -27.045 -3.387 1.00 13.11 H new ATOM 0 HG3 ARG A 88 -9.314 -25.601 -4.376 1.00 13.11 H new ATOM 0 HD2 ARG A 88 -11.718 -25.547 -4.276 1.00 23.35 H new ATOM 0 HD3 ARG A 88 -11.795 -27.159 -3.591 1.00 23.35 H new ATOM 0 HE ARG A 88 -10.623 -24.831 -2.105 1.00 45.23 H new ATOM 0 HH11 ARG A 88 -12.492 -27.827 -2.263 1.00 3.15 H new ATOM 0 HH12 ARG A 88 -13.002 -27.735 -0.574 1.00 3.15 H new ATOM 0 HH21 ARG A 88 -11.307 -24.715 0.056 1.00 32.31 H new ATOM 0 HH22 ARG A 88 -12.335 -25.985 0.729 1.00 32.31 H new ATOM 1387 N ALA A 89 -9.398 -25.109 -7.698 1.00 54.13 N ATOM 1388 CA ALA A 89 -8.498 -24.639 -8.731 1.00 3.20 C ATOM 1389 C ALA A 89 -7.068 -25.093 -8.459 1.00 73.44 C ATOM 1390 O ALA A 89 -6.663 -25.285 -7.309 1.00 32.34 O ATOM 1391 CB ALA A 89 -8.568 -23.126 -8.848 1.00 30.01 C ATOM 0 H ALA A 89 -9.689 -24.395 -7.030 1.00 54.13 H new ATOM 0 HA ALA A 89 -8.813 -25.074 -9.679 1.00 3.20 H new ATOM 0 HB1 ALA A 89 -7.886 -22.789 -9.629 1.00 30.01 H new ATOM 0 HB2 ALA A 89 -9.585 -22.827 -9.102 1.00 30.01 H new ATOM 0 HB3 ALA A 89 -8.283 -22.674 -7.898 1.00 30.01 H new ATOM 1397 N VAL A 90 -6.322 -25.278 -9.529 1.00 4.23 N ATOM 1398 CA VAL A 90 -4.929 -25.680 -9.451 1.00 11.13 C ATOM 1399 C VAL A 90 -4.056 -24.548 -9.984 1.00 34.35 C ATOM 1400 O VAL A 90 -4.559 -23.649 -10.651 1.00 73.24 O ATOM 1401 CB VAL A 90 -4.695 -26.981 -10.262 1.00 74.12 C ATOM 1402 CG1 VAL A 90 -4.993 -26.756 -11.736 1.00 40.14 C ATOM 1403 CG2 VAL A 90 -3.285 -27.523 -10.071 1.00 70.31 C ATOM 0 H VAL A 90 -6.665 -25.154 -10.482 1.00 4.23 H new ATOM 0 HA VAL A 90 -4.664 -25.882 -8.413 1.00 11.13 H new ATOM 0 HB VAL A 90 -5.385 -27.733 -9.879 1.00 74.12 H new ATOM 0 HG11 VAL A 90 -4.823 -27.681 -12.287 1.00 40.14 H new ATOM 0 HG12 VAL A 90 -6.032 -26.449 -11.854 1.00 40.14 H new ATOM 0 HG13 VAL A 90 -4.338 -25.976 -12.125 1.00 40.14 H new ATOM 0 HG21 VAL A 90 -3.163 -28.435 -10.656 1.00 70.31 H new ATOM 0 HG22 VAL A 90 -2.561 -26.779 -10.403 1.00 70.31 H new ATOM 0 HG23 VAL A 90 -3.120 -27.744 -9.016 1.00 70.31 H new