USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1128 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 63 LYS NZ :NH3+ -173:sc= 0.439 (180deg=0.558) USER MOD Set 1.2: A 125 TYR OH : rot 15:sc= 0.0293 USER MOD Set 2.1: A 37 THR OG1 : rot -74:sc= 1.62 USER MOD Set 2.2: A 38 HIS :FLIP no HE2:sc= -0.436 F(o=-2!,f=1.2) USER MOD Single : A 10 SER OG : rot 34:sc= -1.53! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 53:sc= 0.418 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -69:sc= 1.9 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.036) USER MOD Single : A 45 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.022) USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.756) USER MOD Single : A 49 LYS NZ :NH3+ -135:sc= 0.146 (180deg=-0.102) USER MOD Single : A 50 SER OG : rot 33:sc= 0.289 USER MOD Single : A 55 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.4!) USER MOD Single : A 58 HIS : no HD1:sc= -0.423 K(o=-0.42,f=-1.7) USER MOD Single : A 67 SER OG : rot 180:sc=-0.00519 USER MOD Single : A 69 SER OG : rot 122:sc= -1.37 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.0142 F(o=-1.3,f=-0.014) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.51) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 MET CE :methyl 155:sc= -0.0787 (180deg=-0.94) USER MOD Single : A 129 GLN : amide:sc= -2.64! C(o=-2.6!,f=-2.9!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.37) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.087) USER MOD Single : A 141 SER OG : rot -79:sc= 0.649 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 136 N VAL A 9 -5.441 17.192 -2.685 1.00 71.21 N ATOM 137 CA VAL A 9 -6.189 16.088 -2.063 1.00 53.22 C ATOM 138 C VAL A 9 -5.740 15.813 -0.613 1.00 63.43 C ATOM 139 O VAL A 9 -6.567 15.671 0.290 1.00 34.43 O ATOM 140 CB VAL A 9 -6.070 14.785 -2.903 1.00 14.34 C ATOM 141 CG1 VAL A 9 -4.610 14.377 -3.096 1.00 34.24 C ATOM 142 CG2 VAL A 9 -6.866 13.649 -2.264 1.00 62.14 C ATOM 0 HA VAL A 9 -7.232 16.405 -2.036 1.00 53.22 H new ATOM 0 HB VAL A 9 -6.493 14.989 -3.887 1.00 14.34 H new ATOM 0 HG11 VAL A 9 -4.563 13.463 -3.687 1.00 34.24 H new ATOM 0 HG12 VAL A 9 -4.075 15.173 -3.615 1.00 34.24 H new ATOM 0 HG13 VAL A 9 -4.149 14.204 -2.124 1.00 34.24 H new ATOM 0 HG21 VAL A 9 -6.767 12.749 -2.871 1.00 62.14 H new ATOM 0 HG22 VAL A 9 -6.483 13.455 -1.262 1.00 62.14 H new ATOM 0 HG23 VAL A 9 -7.917 13.931 -2.203 1.00 62.14 H new ATOM 152 N SER A 10 -4.431 15.747 -0.396 1.00 52.32 N ATOM 153 CA SER A 10 -3.872 15.447 0.929 1.00 51.33 C ATOM 154 C SER A 10 -3.096 16.644 1.494 1.00 21.33 C ATOM 155 O SER A 10 -2.007 16.979 1.016 1.00 62.42 O ATOM 156 CB SER A 10 -2.956 14.223 0.838 1.00 31.33 C ATOM 157 OG SER A 10 -1.982 14.389 -0.182 1.00 64.22 O ATOM 0 H SER A 10 -3.729 15.897 -1.121 1.00 52.32 H new ATOM 0 HA SER A 10 -4.699 15.235 1.607 1.00 51.33 H new ATOM 0 HB2 SER A 10 -2.461 14.063 1.796 1.00 31.33 H new ATOM 0 HB3 SER A 10 -3.552 13.333 0.635 1.00 31.33 H new ATOM 0 HG SER A 10 -1.730 15.334 -0.243 1.00 64.22 H new ATOM 163 N GLU A 11 -3.662 17.284 2.512 1.00 2.04 N ATOM 164 CA GLU A 11 -3.055 18.469 3.131 1.00 1.44 C ATOM 165 C GLU A 11 -2.445 18.135 4.504 1.00 14.10 C ATOM 166 O GLU A 11 -3.059 17.446 5.318 1.00 41.10 O ATOM 167 CB GLU A 11 -4.109 19.585 3.262 1.00 1.24 C ATOM 168 CG GLU A 11 -5.311 19.212 4.127 1.00 12.43 C ATOM 169 CD GLU A 11 -6.427 20.248 4.066 1.00 53.24 C ATOM 170 OE1 GLU A 11 -6.310 21.301 4.726 1.00 24.02 O ATOM 171 OE2 GLU A 11 -7.424 20.017 3.347 1.00 72.54 O ATOM 0 H GLU A 11 -4.548 17.003 2.933 1.00 2.04 H new ATOM 0 HA GLU A 11 -2.245 18.815 2.489 1.00 1.44 H new ATOM 0 HB2 GLU A 11 -3.633 20.471 3.683 1.00 1.24 H new ATOM 0 HB3 GLU A 11 -4.462 19.855 2.267 1.00 1.24 H new ATOM 0 HG2 GLU A 11 -5.700 18.246 3.804 1.00 12.43 H new ATOM 0 HG3 GLU A 11 -4.986 19.095 5.161 1.00 12.43 H new ATOM 178 N LEU A 12 -1.228 18.625 4.747 1.00 71.21 N ATOM 179 CA LEU A 12 -0.520 18.380 6.012 1.00 14.22 C ATOM 180 C LEU A 12 0.324 19.603 6.432 1.00 34.42 C ATOM 181 O LEU A 12 0.772 20.373 5.583 1.00 62.34 O ATOM 182 CB LEU A 12 0.347 17.104 5.901 1.00 51.53 C ATOM 183 CG LEU A 12 0.998 16.835 4.527 1.00 40.42 C ATOM 184 CD1 LEU A 12 2.031 17.901 4.172 1.00 2.30 C ATOM 185 CD2 LEU A 12 1.626 15.443 4.497 1.00 25.41 C ATOM 0 H LEU A 12 -0.707 19.197 4.083 1.00 71.21 H new ATOM 0 HA LEU A 12 -1.262 18.222 6.795 1.00 14.22 H new ATOM 0 HB2 LEU A 12 1.138 17.162 6.649 1.00 51.53 H new ATOM 0 HB3 LEU A 12 -0.273 16.246 6.159 1.00 51.53 H new ATOM 0 HG LEU A 12 0.211 16.881 3.774 1.00 40.42 H new ATOM 0 HD11 LEU A 12 2.466 17.676 3.198 1.00 2.30 H new ATOM 0 HD12 LEU A 12 1.549 18.878 4.137 1.00 2.30 H new ATOM 0 HD13 LEU A 12 2.817 17.912 4.927 1.00 2.30 H new ATOM 0 HD21 LEU A 12 2.080 15.270 3.521 1.00 25.41 H new ATOM 0 HD22 LEU A 12 2.390 15.372 5.271 1.00 25.41 H new ATOM 0 HD23 LEU A 12 0.856 14.693 4.677 1.00 25.41 H new ATOM 197 N PRO A 13 0.548 19.801 7.752 1.00 22.13 N ATOM 198 CA PRO A 13 1.242 20.994 8.271 1.00 64.33 C ATOM 199 C PRO A 13 2.780 20.930 8.157 1.00 32.31 C ATOM 200 O PRO A 13 3.450 21.964 8.202 1.00 2.41 O ATOM 201 CB PRO A 13 0.810 21.012 9.740 1.00 63.54 C ATOM 202 CG PRO A 13 0.640 19.572 10.094 1.00 11.01 C ATOM 203 CD PRO A 13 0.132 18.890 8.843 1.00 40.51 C ATOM 0 HA PRO A 13 0.983 21.887 7.703 1.00 64.33 H new ATOM 0 HB2 PRO A 13 1.561 21.490 10.369 1.00 63.54 H new ATOM 0 HB3 PRO A 13 -0.119 21.567 9.874 1.00 63.54 H new ATOM 0 HG2 PRO A 13 1.585 19.136 10.419 1.00 11.01 H new ATOM 0 HG3 PRO A 13 -0.065 19.453 10.916 1.00 11.01 H new ATOM 0 HD2 PRO A 13 0.567 17.898 8.723 1.00 40.51 H new ATOM 0 HD3 PRO A 13 -0.950 18.763 8.868 1.00 40.51 H new ATOM 211 N PHE A 14 3.332 19.723 8.022 1.00 75.42 N ATOM 212 CA PHE A 14 4.793 19.534 7.950 1.00 50.12 C ATOM 213 C PHE A 14 5.285 19.342 6.503 1.00 72.31 C ATOM 214 O PHE A 14 4.621 18.706 5.688 1.00 64.31 O ATOM 215 CB PHE A 14 5.221 18.346 8.833 1.00 31.21 C ATOM 216 CG PHE A 14 4.328 17.127 8.734 1.00 63.42 C ATOM 217 CD1 PHE A 14 4.343 16.321 7.605 1.00 33.12 C ATOM 218 CD2 PHE A 14 3.477 16.785 9.779 1.00 44.41 C ATOM 219 CE1 PHE A 14 3.532 15.205 7.519 1.00 54.13 C ATOM 220 CE2 PHE A 14 2.664 15.668 9.697 1.00 34.23 C ATOM 221 CZ PHE A 14 2.693 14.877 8.566 1.00 2.01 C ATOM 0 H PHE A 14 2.795 18.858 7.960 1.00 75.42 H new ATOM 0 HA PHE A 14 5.260 20.444 8.327 1.00 50.12 H new ATOM 0 HB2 PHE A 14 6.237 18.058 8.562 1.00 31.21 H new ATOM 0 HB3 PHE A 14 5.249 18.675 9.872 1.00 31.21 H new ATOM 0 HD1 PHE A 14 4.997 16.569 6.782 1.00 33.12 H new ATOM 0 HD2 PHE A 14 3.450 17.399 10.667 1.00 44.41 H new ATOM 0 HE1 PHE A 14 3.554 14.589 6.632 1.00 54.13 H new ATOM 0 HE2 PHE A 14 2.008 15.416 10.517 1.00 34.23 H new ATOM 0 HZ PHE A 14 2.061 14.004 8.500 1.00 2.01 H new ATOM 231 N GLU A 15 6.461 19.897 6.192 1.00 13.52 N ATOM 232 CA GLU A 15 7.024 19.815 4.834 1.00 43.23 C ATOM 233 C GLU A 15 8.166 18.789 4.730 1.00 62.12 C ATOM 234 O GLU A 15 8.576 18.420 3.627 1.00 11.15 O ATOM 235 CB GLU A 15 7.538 21.189 4.375 1.00 60.23 C ATOM 236 CG GLU A 15 6.446 22.244 4.216 1.00 51.50 C ATOM 237 CD GLU A 15 6.955 23.525 3.566 1.00 53.33 C ATOM 238 OE1 GLU A 15 7.205 23.518 2.343 1.00 35.25 O ATOM 239 OE2 GLU A 15 7.112 24.545 4.274 1.00 2.02 O ATOM 0 H GLU A 15 7.042 20.407 6.857 1.00 13.52 H new ATOM 0 HA GLU A 15 6.213 19.485 4.185 1.00 43.23 H new ATOM 0 HB2 GLU A 15 8.273 21.549 5.095 1.00 60.23 H new ATOM 0 HB3 GLU A 15 8.056 21.071 3.423 1.00 60.23 H new ATOM 0 HG2 GLU A 15 5.635 21.834 3.614 1.00 51.50 H new ATOM 0 HG3 GLU A 15 6.029 22.479 5.195 1.00 51.50 H new ATOM 246 N ARG A 16 8.700 18.338 5.864 1.00 51.32 N ATOM 247 CA ARG A 16 9.832 17.397 5.851 1.00 3.41 C ATOM 248 C ARG A 16 9.497 16.096 6.598 1.00 62.22 C ATOM 249 O ARG A 16 9.233 16.105 7.803 1.00 23.00 O ATOM 250 CB ARG A 16 11.073 18.062 6.465 1.00 23.42 C ATOM 251 CG ARG A 16 11.415 19.413 5.840 1.00 45.21 C ATOM 252 CD ARG A 16 11.654 19.307 4.334 1.00 13.43 C ATOM 253 NE ARG A 16 11.699 20.621 3.694 1.00 43.52 N ATOM 254 CZ ARG A 16 10.937 20.980 2.695 1.00 41.52 C ATOM 255 NH1 ARG A 16 10.056 20.163 2.205 1.00 71.01 N ATOM 256 NH2 ARG A 16 11.050 22.166 2.195 1.00 23.03 N ATOM 0 H ARG A 16 8.376 18.601 6.795 1.00 51.32 H new ATOM 0 HA ARG A 16 10.040 17.135 4.813 1.00 3.41 H new ATOM 0 HB2 ARG A 16 10.911 18.196 7.535 1.00 23.42 H new ATOM 0 HB3 ARG A 16 11.926 17.393 6.353 1.00 23.42 H new ATOM 0 HG2 ARG A 16 10.603 20.115 6.029 1.00 45.21 H new ATOM 0 HG3 ARG A 16 12.305 19.819 6.320 1.00 45.21 H new ATOM 0 HD2 ARG A 16 12.592 18.782 4.152 1.00 13.43 H new ATOM 0 HD3 ARG A 16 10.862 18.710 3.882 1.00 13.43 H new ATOM 0 HE ARG A 16 12.369 21.302 4.051 1.00 43.52 H new ATOM 0 HH11 ARG A 16 9.952 19.228 2.600 1.00 71.01 H new ATOM 0 HH12 ARG A 16 9.467 20.456 1.425 1.00 71.01 H new ATOM 0 HH21 ARG A 16 11.733 22.819 2.580 1.00 23.03 H new ATOM 0 HH22 ARG A 16 10.457 22.449 1.415 1.00 23.03 H new ATOM 270 N VAL A 17 9.515 14.973 5.874 1.00 61.31 N ATOM 271 CA VAL A 17 9.191 13.660 6.455 1.00 15.43 C ATOM 272 C VAL A 17 10.270 12.615 6.133 1.00 55.32 C ATOM 273 O VAL A 17 10.970 12.721 5.127 1.00 24.13 O ATOM 274 CB VAL A 17 7.821 13.136 5.947 1.00 43.41 C ATOM 275 CG1 VAL A 17 6.683 14.049 6.404 1.00 42.13 C ATOM 276 CG2 VAL A 17 7.823 12.990 4.424 1.00 23.42 C ATOM 0 H VAL A 17 9.751 14.944 4.882 1.00 61.31 H new ATOM 0 HA VAL A 17 9.145 13.806 7.534 1.00 15.43 H new ATOM 0 HB VAL A 17 7.657 12.150 6.381 1.00 43.41 H new ATOM 0 HG11 VAL A 17 5.734 13.660 6.035 1.00 42.13 H new ATOM 0 HG12 VAL A 17 6.661 14.086 7.493 1.00 42.13 H new ATOM 0 HG13 VAL A 17 6.841 15.053 6.010 1.00 42.13 H new ATOM 0 HG21 VAL A 17 6.852 12.621 4.093 1.00 23.42 H new ATOM 0 HG22 VAL A 17 8.019 13.959 3.966 1.00 23.42 H new ATOM 0 HG23 VAL A 17 8.599 12.285 4.127 1.00 23.42 H new ATOM 286 N TYR A 18 10.393 11.607 6.991 1.00 25.14 N ATOM 287 CA TYR A 18 11.357 10.516 6.785 1.00 63.22 C ATOM 288 C TYR A 18 10.646 9.154 6.753 1.00 21.15 C ATOM 289 O TYR A 18 9.731 8.903 7.535 1.00 2.22 O ATOM 290 CB TYR A 18 12.418 10.532 7.897 1.00 21.52 C ATOM 291 CG TYR A 18 13.431 9.398 7.819 1.00 2.13 C ATOM 292 CD1 TYR A 18 14.407 9.377 6.827 1.00 70.33 C ATOM 293 CD2 TYR A 18 13.417 8.356 8.744 1.00 4.21 C ATOM 294 CE1 TYR A 18 15.335 8.355 6.758 1.00 24.12 C ATOM 295 CE2 TYR A 18 14.342 7.330 8.678 1.00 70.31 C ATOM 296 CZ TYR A 18 15.299 7.334 7.685 1.00 1.25 C ATOM 297 OH TYR A 18 16.227 6.315 7.623 1.00 72.12 O ATOM 0 H TYR A 18 9.837 11.517 7.841 1.00 25.14 H new ATOM 0 HA TYR A 18 11.846 10.669 5.823 1.00 63.22 H new ATOM 0 HB2 TYR A 18 12.951 11.482 7.859 1.00 21.52 H new ATOM 0 HB3 TYR A 18 11.915 10.487 8.863 1.00 21.52 H new ATOM 0 HD1 TYR A 18 14.440 10.173 6.098 1.00 70.33 H new ATOM 0 HD2 TYR A 18 12.671 8.349 9.525 1.00 4.21 H new ATOM 0 HE1 TYR A 18 16.085 8.356 5.981 1.00 24.12 H new ATOM 0 HE2 TYR A 18 14.315 6.529 9.401 1.00 70.31 H new ATOM 0 HH TYR A 18 16.062 5.678 8.349 1.00 72.12 H new ATOM 307 N ILE A 19 11.076 8.283 5.843 1.00 11.43 N ATOM 308 CA ILE A 19 10.517 6.931 5.727 1.00 43.51 C ATOM 309 C ILE A 19 11.557 5.873 6.128 1.00 63.23 C ATOM 310 O ILE A 19 12.745 6.007 5.825 1.00 73.13 O ATOM 311 CB ILE A 19 10.020 6.650 4.283 1.00 33.32 C ATOM 312 CG1 ILE A 19 9.379 5.251 4.188 1.00 12.52 C ATOM 313 CG2 ILE A 19 11.163 6.795 3.277 1.00 22.14 C ATOM 314 CD1 ILE A 19 8.837 4.914 2.812 1.00 54.32 C ATOM 0 H ILE A 19 11.814 8.488 5.170 1.00 11.43 H new ATOM 0 HA ILE A 19 9.667 6.871 6.407 1.00 43.51 H new ATOM 0 HB ILE A 19 9.258 7.389 4.037 1.00 33.32 H new ATOM 0 HG12 ILE A 19 10.120 4.503 4.469 1.00 12.52 H new ATOM 0 HG13 ILE A 19 8.568 5.184 4.913 1.00 12.52 H new ATOM 0 HG21 ILE A 19 10.791 6.594 2.272 1.00 22.14 H new ATOM 0 HG22 ILE A 19 11.560 7.809 3.321 1.00 22.14 H new ATOM 0 HG23 ILE A 19 11.954 6.086 3.520 1.00 22.14 H new ATOM 0 HD11 ILE A 19 8.403 3.914 2.827 1.00 54.32 H new ATOM 0 HD12 ILE A 19 8.071 5.638 2.535 1.00 54.32 H new ATOM 0 HD13 ILE A 19 9.647 4.947 2.084 1.00 54.32 H new ATOM 326 N THR A 20 11.115 4.832 6.829 1.00 42.42 N ATOM 327 CA THR A 20 12.010 3.735 7.225 1.00 72.12 C ATOM 328 C THR A 20 11.334 2.365 7.093 1.00 44.32 C ATOM 329 O THR A 20 10.130 2.218 7.328 1.00 3.12 O ATOM 330 CB THR A 20 12.532 3.912 8.673 1.00 71.24 C ATOM 331 OG1 THR A 20 13.349 2.792 9.043 1.00 13.35 O ATOM 332 CG2 THR A 20 11.389 4.066 9.670 1.00 22.22 C ATOM 0 H THR A 20 10.149 4.720 7.136 1.00 42.42 H new ATOM 0 HA THR A 20 12.855 3.774 6.538 1.00 72.12 H new ATOM 0 HB THR A 20 13.127 4.825 8.699 1.00 71.24 H new ATOM 0 HG1 THR A 20 13.676 2.914 9.959 1.00 13.35 H new ATOM 0 HG21 THR A 20 11.796 4.188 10.674 1.00 22.22 H new ATOM 0 HG22 THR A 20 10.795 4.942 9.410 1.00 22.22 H new ATOM 0 HG23 THR A 20 10.758 3.178 9.640 1.00 22.22 H new ATOM 340 N ALA A 21 12.121 1.358 6.715 1.00 31.31 N ATOM 341 CA ALA A 21 11.606 0.002 6.495 1.00 1.12 C ATOM 342 C ALA A 21 12.587 -1.066 7.016 1.00 42.20 C ATOM 343 O ALA A 21 13.801 -0.862 7.004 1.00 0.23 O ATOM 344 CB ALA A 21 11.335 -0.213 5.007 1.00 62.20 C ATOM 0 H ALA A 21 13.123 1.454 6.553 1.00 31.31 H new ATOM 0 HA ALA A 21 10.675 -0.102 7.053 1.00 1.12 H new ATOM 0 HB1 ALA A 21 10.953 -1.221 4.849 1.00 62.20 H new ATOM 0 HB2 ALA A 21 10.598 0.513 4.663 1.00 62.20 H new ATOM 0 HB3 ALA A 21 12.261 -0.084 4.446 1.00 62.20 H new ATOM 350 N PRO A 22 12.074 -2.224 7.486 1.00 13.34 N ATOM 351 CA PRO A 22 12.927 -3.338 7.949 1.00 71.31 C ATOM 352 C PRO A 22 13.661 -4.037 6.790 1.00 31.31 C ATOM 353 O PRO A 22 14.544 -4.866 7.008 1.00 44.13 O ATOM 354 CB PRO A 22 11.923 -4.292 8.613 1.00 5.04 C ATOM 355 CG PRO A 22 10.632 -4.018 7.914 1.00 22.54 C ATOM 356 CD PRO A 22 10.635 -2.542 7.613 1.00 23.33 C ATOM 0 HA PRO A 22 13.720 -3.000 8.616 1.00 71.31 H new ATOM 0 HB2 PRO A 22 12.226 -5.332 8.495 1.00 5.04 H new ATOM 0 HB3 PRO A 22 11.843 -4.103 9.683 1.00 5.04 H new ATOM 0 HG2 PRO A 22 10.551 -4.604 6.998 1.00 22.54 H new ATOM 0 HG3 PRO A 22 9.782 -4.288 8.541 1.00 22.54 H new ATOM 0 HD2 PRO A 22 10.091 -2.317 6.696 1.00 23.33 H new ATOM 0 HD3 PRO A 22 10.165 -1.968 8.411 1.00 23.33 H new ATOM 364 N ALA A 23 13.280 -3.690 5.562 1.00 22.12 N ATOM 365 CA ALA A 23 13.890 -4.259 4.357 1.00 64.11 C ATOM 366 C ALA A 23 13.437 -3.504 3.097 1.00 4.11 C ATOM 367 O ALA A 23 12.620 -2.580 3.171 1.00 1.52 O ATOM 368 CB ALA A 23 13.539 -5.739 4.237 1.00 33.10 C ATOM 0 H ALA A 23 12.544 -3.010 5.372 1.00 22.12 H new ATOM 0 HA ALA A 23 14.971 -4.155 4.445 1.00 64.11 H new ATOM 0 HB1 ALA A 23 13.998 -6.150 3.338 1.00 33.10 H new ATOM 0 HB2 ALA A 23 13.911 -6.273 5.111 1.00 33.10 H new ATOM 0 HB3 ALA A 23 12.457 -5.852 4.176 1.00 33.10 H new ATOM 374 N GLY A 24 13.955 -3.905 1.943 1.00 4.45 N ATOM 375 CA GLY A 24 13.559 -3.282 0.686 1.00 2.34 C ATOM 376 C GLY A 24 12.288 -3.889 0.095 1.00 15.45 C ATOM 377 O GLY A 24 12.324 -4.496 -0.974 1.00 45.11 O ATOM 0 H GLY A 24 14.644 -4.652 1.851 1.00 4.45 H new ATOM 0 HA2 GLY A 24 13.405 -2.215 0.848 1.00 2.34 H new ATOM 0 HA3 GLY A 24 14.371 -3.381 -0.034 1.00 2.34 H new ATOM 381 N LEU A 25 11.159 -3.726 0.790 1.00 32.32 N ATOM 382 CA LEU A 25 9.872 -4.256 0.311 1.00 74.15 C ATOM 383 C LEU A 25 9.279 -3.362 -0.791 1.00 52.51 C ATOM 384 O LEU A 25 9.513 -2.151 -0.813 1.00 40.40 O ATOM 385 CB LEU A 25 8.845 -4.369 1.457 1.00 51.31 C ATOM 386 CG LEU A 25 9.255 -5.228 2.673 1.00 4.42 C ATOM 387 CD1 LEU A 25 10.072 -4.410 3.671 1.00 4.12 C ATOM 388 CD2 LEU A 25 8.022 -5.825 3.353 1.00 15.03 C ATOM 0 H LEU A 25 11.106 -3.234 1.682 1.00 32.32 H new ATOM 0 HA LEU A 25 10.074 -5.249 -0.091 1.00 74.15 H new ATOM 0 HB2 LEU A 25 8.619 -3.363 1.811 1.00 51.31 H new ATOM 0 HB3 LEU A 25 7.921 -4.778 1.047 1.00 51.31 H new ATOM 0 HG LEU A 25 9.880 -6.045 2.311 1.00 4.42 H new ATOM 0 HD11 LEU A 25 10.348 -5.039 4.518 1.00 4.12 H new ATOM 0 HD12 LEU A 25 10.975 -4.039 3.185 1.00 4.12 H new ATOM 0 HD13 LEU A 25 9.478 -3.567 4.024 1.00 4.12 H new ATOM 0 HD21 LEU A 25 8.333 -6.427 4.207 1.00 15.03 H new ATOM 0 HD22 LEU A 25 7.369 -5.021 3.694 1.00 15.03 H new ATOM 0 HD23 LEU A 25 7.484 -6.453 2.643 1.00 15.03 H new ATOM 400 N THR A 26 8.504 -3.955 -1.698 1.00 42.50 N ATOM 401 CA THR A 26 7.806 -3.189 -2.741 1.00 65.31 C ATOM 402 C THR A 26 6.653 -2.369 -2.143 1.00 5.22 C ATOM 403 O THR A 26 5.505 -2.817 -2.111 1.00 2.22 O ATOM 404 CB THR A 26 7.253 -4.107 -3.861 1.00 24.30 C ATOM 405 OG1 THR A 26 6.371 -5.097 -3.302 1.00 61.44 O ATOM 406 CG2 THR A 26 8.389 -4.800 -4.611 1.00 4.41 C ATOM 0 H THR A 26 8.341 -4.961 -1.736 1.00 42.50 H new ATOM 0 HA THR A 26 8.542 -2.515 -3.179 1.00 65.31 H new ATOM 0 HB THR A 26 6.700 -3.484 -4.564 1.00 24.30 H new ATOM 0 HG1 THR A 26 5.687 -4.655 -2.756 1.00 61.44 H new ATOM 0 HG21 THR A 26 7.974 -5.438 -5.391 1.00 4.41 H new ATOM 0 HG22 THR A 26 9.038 -4.050 -5.063 1.00 4.41 H new ATOM 0 HG23 THR A 26 8.967 -5.408 -3.915 1.00 4.41 H new ATOM 414 N ILE A 27 6.980 -1.176 -1.645 1.00 65.54 N ATOM 415 CA ILE A 27 6.002 -0.304 -0.977 1.00 22.21 C ATOM 416 C ILE A 27 6.608 1.081 -0.679 1.00 15.11 C ATOM 417 O ILE A 27 5.947 2.110 -0.838 1.00 44.11 O ATOM 418 CB ILE A 27 5.474 -0.947 0.343 1.00 11.33 C ATOM 419 CG1 ILE A 27 4.402 -0.058 1.006 1.00 70.24 C ATOM 420 CG2 ILE A 27 6.621 -1.230 1.317 1.00 3.23 C ATOM 421 CD1 ILE A 27 3.154 0.128 0.167 1.00 25.35 C ATOM 0 H ILE A 27 7.921 -0.786 -1.690 1.00 65.54 H new ATOM 0 HA ILE A 27 5.162 -0.180 -1.660 1.00 22.21 H new ATOM 0 HB ILE A 27 5.009 -1.898 0.083 1.00 11.33 H new ATOM 0 HG12 ILE A 27 4.122 -0.497 1.964 1.00 70.24 H new ATOM 0 HG13 ILE A 27 4.835 0.920 1.217 1.00 70.24 H new ATOM 0 HG21 ILE A 27 6.223 -1.678 2.228 1.00 3.23 H new ATOM 0 HG22 ILE A 27 7.330 -1.917 0.855 1.00 3.23 H new ATOM 0 HG23 ILE A 27 7.128 -0.297 1.563 1.00 3.23 H new ATOM 0 HD11 ILE A 27 2.448 0.765 0.701 1.00 25.35 H new ATOM 0 HD12 ILE A 27 3.419 0.596 -0.781 1.00 25.35 H new ATOM 0 HD13 ILE A 27 2.695 -0.842 -0.023 1.00 25.35 H new ATOM 433 N GLY A 28 7.877 1.098 -0.255 1.00 5.31 N ATOM 434 CA GLY A 28 8.564 2.355 0.038 1.00 14.45 C ATOM 435 C GLY A 28 8.675 3.262 -1.182 1.00 44.42 C ATOM 436 O GLY A 28 8.321 4.439 -1.123 1.00 74.22 O ATOM 0 H GLY A 28 8.443 0.262 -0.109 1.00 5.31 H new ATOM 0 HA2 GLY A 28 8.030 2.881 0.829 1.00 14.45 H new ATOM 0 HA3 GLY A 28 9.563 2.139 0.417 1.00 14.45 H new ATOM 440 N SER A 29 9.157 2.700 -2.290 1.00 60.43 N ATOM 441 CA SER A 29 9.260 3.423 -3.567 1.00 35.20 C ATOM 442 C SER A 29 7.949 4.138 -3.918 1.00 41.11 C ATOM 443 O SER A 29 7.939 5.316 -4.278 1.00 71.33 O ATOM 444 CB SER A 29 9.621 2.442 -4.694 1.00 42.25 C ATOM 445 OG SER A 29 9.571 3.062 -5.972 1.00 44.23 O ATOM 0 H SER A 29 9.487 1.736 -2.333 1.00 60.43 H new ATOM 0 HA SER A 29 10.042 4.175 -3.461 1.00 35.20 H new ATOM 0 HB2 SER A 29 10.621 2.044 -4.522 1.00 42.25 H new ATOM 0 HB3 SER A 29 8.933 1.596 -4.673 1.00 42.25 H new ATOM 0 HG SER A 29 9.808 2.408 -6.662 1.00 44.23 H new ATOM 451 N ASP A 30 6.849 3.405 -3.807 1.00 12.12 N ATOM 452 CA ASP A 30 5.518 3.928 -4.110 1.00 41.13 C ATOM 453 C ASP A 30 5.116 5.061 -3.151 1.00 54.32 C ATOM 454 O ASP A 30 4.699 6.140 -3.583 1.00 11.44 O ATOM 455 CB ASP A 30 4.507 2.783 -4.036 1.00 74.11 C ATOM 456 CG ASP A 30 4.899 1.631 -4.944 1.00 21.03 C ATOM 457 OD1 ASP A 30 5.854 0.901 -4.609 1.00 43.42 O ATOM 458 OD2 ASP A 30 4.278 1.475 -6.013 1.00 43.23 O ATOM 0 H ASP A 30 6.851 2.431 -3.505 1.00 12.12 H new ATOM 0 HA ASP A 30 5.532 4.351 -5.115 1.00 41.13 H new ATOM 0 HB2 ASP A 30 4.433 2.428 -3.008 1.00 74.11 H new ATOM 0 HB3 ASP A 30 3.520 3.150 -4.318 1.00 74.11 H new ATOM 463 N LEU A 31 5.257 4.811 -1.851 1.00 10.30 N ATOM 464 CA LEU A 31 4.886 5.791 -0.823 1.00 60.25 C ATOM 465 C LEU A 31 5.641 7.121 -1.001 1.00 61.01 C ATOM 466 O LEU A 31 5.026 8.190 -1.029 1.00 32.31 O ATOM 467 CB LEU A 31 5.147 5.216 0.579 1.00 62.32 C ATOM 468 CG LEU A 31 4.715 6.113 1.755 1.00 52.41 C ATOM 469 CD1 LEU A 31 3.213 6.389 1.711 1.00 14.32 C ATOM 470 CD2 LEU A 31 5.105 5.479 3.090 1.00 13.23 C ATOM 0 H LEU A 31 5.627 3.936 -1.480 1.00 10.30 H new ATOM 0 HA LEU A 31 3.822 5.998 -0.935 1.00 60.25 H new ATOM 0 HB2 LEU A 31 4.628 4.261 0.663 1.00 62.32 H new ATOM 0 HB3 LEU A 31 6.213 5.009 0.675 1.00 62.32 H new ATOM 0 HG LEU A 31 5.237 7.065 1.660 1.00 52.41 H new ATOM 0 HD11 LEU A 31 2.935 7.024 2.552 1.00 14.32 H new ATOM 0 HD12 LEU A 31 2.963 6.893 0.777 1.00 14.32 H new ATOM 0 HD13 LEU A 31 2.668 5.447 1.772 1.00 14.32 H new ATOM 0 HD21 LEU A 31 4.791 6.129 3.907 1.00 13.23 H new ATOM 0 HD22 LEU A 31 4.617 4.510 3.189 1.00 13.23 H new ATOM 0 HD23 LEU A 31 6.186 5.346 3.128 1.00 13.23 H new ATOM 482 N GLU A 32 6.966 7.045 -1.142 1.00 73.35 N ATOM 483 CA GLU A 32 7.807 8.238 -1.310 1.00 52.00 C ATOM 484 C GLU A 32 7.302 9.138 -2.453 1.00 53.22 C ATOM 485 O GLU A 32 7.217 10.360 -2.310 1.00 22.20 O ATOM 486 CB GLU A 32 9.262 7.825 -1.583 1.00 20.11 C ATOM 487 CG GLU A 32 9.923 7.074 -0.428 1.00 71.30 C ATOM 488 CD GLU A 32 11.363 6.687 -0.732 1.00 74.50 C ATOM 489 OE1 GLU A 32 12.267 7.525 -0.522 1.00 43.13 O ATOM 490 OE2 GLU A 32 11.598 5.555 -1.210 1.00 0.01 O ATOM 0 H GLU A 32 7.484 6.166 -1.143 1.00 73.35 H new ATOM 0 HA GLU A 32 7.754 8.809 -0.383 1.00 52.00 H new ATOM 0 HB2 GLU A 32 9.290 7.197 -2.474 1.00 20.11 H new ATOM 0 HB3 GLU A 32 9.847 8.718 -1.804 1.00 20.11 H new ATOM 0 HG2 GLU A 32 9.899 7.696 0.467 1.00 71.30 H new ATOM 0 HG3 GLU A 32 9.348 6.175 -0.207 1.00 71.30 H new ATOM 497 N ARG A 33 6.955 8.521 -3.584 1.00 54.01 N ATOM 498 CA ARG A 33 6.454 9.261 -4.750 1.00 33.34 C ATOM 499 C ARG A 33 5.098 9.920 -4.452 1.00 14.12 C ATOM 500 O ARG A 33 4.887 11.097 -4.753 1.00 43.13 O ATOM 501 CB ARG A 33 6.317 8.322 -5.958 1.00 52.32 C ATOM 502 CG ARG A 33 7.614 7.611 -6.325 1.00 62.31 C ATOM 503 CD ARG A 33 7.413 6.615 -7.461 1.00 54.14 C ATOM 504 NE ARG A 33 8.621 5.834 -7.711 1.00 65.52 N ATOM 505 CZ ARG A 33 8.779 5.013 -8.711 1.00 35.24 C ATOM 506 NH1 ARG A 33 7.837 4.827 -9.578 1.00 21.42 N ATOM 507 NH2 ARG A 33 9.894 4.373 -8.838 1.00 64.45 N ATOM 0 H ARG A 33 7.011 7.512 -3.720 1.00 54.01 H new ATOM 0 HA ARG A 33 7.175 10.046 -4.980 1.00 33.34 H new ATOM 0 HB2 ARG A 33 5.551 7.576 -5.744 1.00 52.32 H new ATOM 0 HB3 ARG A 33 5.971 8.896 -6.817 1.00 52.32 H new ATOM 0 HG2 ARG A 33 8.362 8.348 -6.616 1.00 62.31 H new ATOM 0 HG3 ARG A 33 8.003 7.090 -5.450 1.00 62.31 H new ATOM 0 HD2 ARG A 33 6.590 5.944 -7.216 1.00 54.14 H new ATOM 0 HD3 ARG A 33 7.130 7.149 -8.368 1.00 54.14 H new ATOM 0 HE ARG A 33 9.396 5.938 -7.057 1.00 65.52 H new ATOM 0 HH11 ARG A 33 6.953 5.327 -9.485 1.00 21.42 H new ATOM 0 HH12 ARG A 33 7.979 4.181 -10.354 1.00 21.42 H new ATOM 0 HH21 ARG A 33 10.642 4.512 -8.159 1.00 64.45 H new ATOM 0 HH22 ARG A 33 10.026 3.729 -9.618 1.00 64.45 H new ATOM 521 N VAL A 34 4.184 9.154 -3.856 1.00 10.32 N ATOM 522 CA VAL A 34 2.844 9.652 -3.527 1.00 3.42 C ATOM 523 C VAL A 34 2.896 10.860 -2.568 1.00 11.02 C ATOM 524 O VAL A 34 2.119 11.809 -2.713 1.00 64.44 O ATOM 525 CB VAL A 34 1.968 8.526 -2.919 1.00 10.34 C ATOM 526 CG1 VAL A 34 0.602 9.053 -2.483 1.00 3.23 C ATOM 527 CG2 VAL A 34 1.808 7.382 -3.920 1.00 24.53 C ATOM 0 H VAL A 34 4.346 8.183 -3.590 1.00 10.32 H new ATOM 0 HA VAL A 34 2.392 9.987 -4.461 1.00 3.42 H new ATOM 0 HB VAL A 34 2.474 8.150 -2.030 1.00 10.34 H new ATOM 0 HG11 VAL A 34 0.015 8.237 -2.062 1.00 3.23 H new ATOM 0 HG12 VAL A 34 0.735 9.830 -1.731 1.00 3.23 H new ATOM 0 HG13 VAL A 34 0.080 9.468 -3.345 1.00 3.23 H new ATOM 0 HG21 VAL A 34 1.191 6.598 -3.481 1.00 24.53 H new ATOM 0 HG22 VAL A 34 1.330 7.755 -4.826 1.00 24.53 H new ATOM 0 HG23 VAL A 34 2.789 6.976 -4.168 1.00 24.53 H new ATOM 537 N ILE A 35 3.822 10.830 -1.607 1.00 63.22 N ATOM 538 CA ILE A 35 4.002 11.943 -0.663 1.00 54.32 C ATOM 539 C ILE A 35 4.250 13.276 -1.396 1.00 4.24 C ATOM 540 O ILE A 35 3.412 14.179 -1.362 1.00 23.14 O ATOM 541 CB ILE A 35 5.187 11.677 0.314 1.00 42.15 C ATOM 542 CG1 ILE A 35 4.946 10.399 1.138 1.00 11.30 C ATOM 543 CG2 ILE A 35 5.412 12.878 1.236 1.00 22.32 C ATOM 544 CD1 ILE A 35 3.722 10.456 2.031 1.00 75.34 C ATOM 0 H ILE A 35 4.460 10.048 -1.459 1.00 63.22 H new ATOM 0 HA ILE A 35 3.075 12.016 -0.094 1.00 54.32 H new ATOM 0 HB ILE A 35 6.087 11.531 -0.283 1.00 42.15 H new ATOM 0 HG12 ILE A 35 4.845 9.554 0.456 1.00 11.30 H new ATOM 0 HG13 ILE A 35 5.824 10.208 1.755 1.00 11.30 H new ATOM 0 HG21 ILE A 35 6.244 12.669 1.909 1.00 22.32 H new ATOM 0 HG22 ILE A 35 5.642 13.759 0.637 1.00 22.32 H new ATOM 0 HG23 ILE A 35 4.510 13.062 1.820 1.00 22.32 H new ATOM 0 HD11 ILE A 35 3.625 9.517 2.576 1.00 75.34 H new ATOM 0 HD12 ILE A 35 3.826 11.278 2.740 1.00 75.34 H new ATOM 0 HD13 ILE A 35 2.833 10.614 1.420 1.00 75.34 H new ATOM 556 N SER A 36 5.387 13.380 -2.084 1.00 35.11 N ATOM 557 CA SER A 36 5.804 14.643 -2.724 1.00 70.02 C ATOM 558 C SER A 36 4.835 15.101 -3.831 1.00 32.54 C ATOM 559 O SER A 36 4.745 16.293 -4.132 1.00 22.24 O ATOM 560 CB SER A 36 7.219 14.506 -3.310 1.00 71.24 C ATOM 561 OG SER A 36 7.666 15.731 -3.883 1.00 53.02 O ATOM 0 H SER A 36 6.041 12.609 -2.217 1.00 35.11 H new ATOM 0 HA SER A 36 5.794 15.403 -1.943 1.00 70.02 H new ATOM 0 HB2 SER A 36 7.910 14.196 -2.526 1.00 71.24 H new ATOM 0 HB3 SER A 36 7.226 13.724 -4.069 1.00 71.24 H new ATOM 0 HG SER A 36 8.569 15.612 -4.246 1.00 53.02 H new ATOM 567 N THR A 37 4.112 14.158 -4.439 1.00 4.21 N ATOM 568 CA THR A 37 3.195 14.483 -5.547 1.00 14.31 C ATOM 569 C THR A 37 1.800 14.915 -5.064 1.00 70.33 C ATOM 570 O THR A 37 1.179 15.800 -5.653 1.00 63.53 O ATOM 571 CB THR A 37 3.032 13.293 -6.526 1.00 3.23 C ATOM 572 OG1 THR A 37 2.582 12.129 -5.818 1.00 50.02 O ATOM 573 CG2 THR A 37 4.345 12.981 -7.237 1.00 34.34 C ATOM 0 H THR A 37 4.139 13.169 -4.190 1.00 4.21 H new ATOM 0 HA THR A 37 3.659 15.324 -6.062 1.00 14.31 H new ATOM 0 HB THR A 37 2.291 13.574 -7.274 1.00 3.23 H new ATOM 0 HG1 THR A 37 3.323 11.758 -5.295 1.00 50.02 H new ATOM 0 HG21 THR A 37 4.200 12.142 -7.917 1.00 34.34 H new ATOM 0 HG22 THR A 37 4.669 13.855 -7.802 1.00 34.34 H new ATOM 0 HG23 THR A 37 5.106 12.723 -6.500 1.00 34.34 H new ATOM 581 N HIS A 38 1.300 14.289 -3.998 1.00 3.23 N ATOM 582 CA HIS A 38 -0.051 14.587 -3.495 1.00 55.11 C ATOM 583 C HIS A 38 -0.053 15.650 -2.377 1.00 20.43 C ATOM 584 O HIS A 38 -1.052 16.354 -2.192 1.00 1.32 O ATOM 585 CB HIS A 38 -0.732 13.303 -2.985 1.00 42.11 C ATOM 586 CG HIS A 38 -1.038 12.293 -4.056 1.00 74.11 C ATOM 587 ND1 HIS A 38 -0.222 11.604 -4.891 1.00 72.12 N flip ATOM 588 CD2 HIS A 38 -2.318 11.868 -4.350 1.00 51.34 C flip ATOM 589 CE1 HIS A 38 -1.017 10.789 -5.655 1.00 52.30 C flip ATOM 590 NE2 HIS A 38 -2.275 10.968 -5.310 1.00 13.12 N flip ATOM 0 H HIS A 38 1.802 13.577 -3.467 1.00 3.23 H new ATOM 0 HA HIS A 38 -0.610 14.996 -4.337 1.00 55.11 H new ATOM 0 HB2 HIS A 38 -0.089 12.838 -2.238 1.00 42.11 H new ATOM 0 HB3 HIS A 38 -1.661 13.574 -2.483 1.00 42.11 H new ATOM 0 HD1 HIS A 38 0.794 11.678 -4.941 1.00 72.12 H new ATOM 0 HD2 HIS A 38 -3.217 12.220 -3.866 1.00 51.34 H new ATOM 0 HE1 HIS A 38 -0.667 10.109 -6.418 1.00 52.30 H new ATOM 599 N THR A 39 1.051 15.777 -1.636 1.00 65.21 N ATOM 600 CA THR A 39 1.086 16.659 -0.451 1.00 23.21 C ATOM 601 C THR A 39 2.027 17.863 -0.623 1.00 65.24 C ATOM 602 O THR A 39 2.456 18.196 -1.729 1.00 1.31 O ATOM 603 CB THR A 39 1.542 15.898 0.822 1.00 42.52 C ATOM 604 OG1 THR A 39 2.969 15.747 0.832 1.00 52.44 O ATOM 605 CG2 THR A 39 0.894 14.528 0.915 1.00 61.34 C ATOM 0 H THR A 39 1.926 15.289 -1.827 1.00 65.21 H new ATOM 0 HA THR A 39 0.061 17.013 -0.342 1.00 23.21 H new ATOM 0 HB THR A 39 1.229 16.489 1.682 1.00 42.52 H new ATOM 0 HG1 THR A 39 3.237 15.126 0.123 1.00 52.44 H new ATOM 0 HG21 THR A 39 1.237 14.024 1.819 1.00 61.34 H new ATOM 0 HG22 THR A 39 -0.190 14.640 0.950 1.00 61.34 H new ATOM 0 HG23 THR A 39 1.169 13.935 0.043 1.00 61.34 H new ATOM 613 N ARG A 40 2.309 18.523 0.502 1.00 12.22 N ATOM 614 CA ARG A 40 3.265 19.635 0.575 1.00 34.54 C ATOM 615 C ARG A 40 4.649 19.144 1.057 1.00 73.30 C ATOM 616 O ARG A 40 5.650 19.861 0.964 1.00 74.33 O ATOM 617 CB ARG A 40 2.703 20.698 1.543 1.00 21.04 C ATOM 618 CG ARG A 40 3.642 21.864 1.840 1.00 24.43 C ATOM 619 CD ARG A 40 3.858 22.761 0.627 1.00 64.04 C ATOM 620 NE ARG A 40 4.824 23.823 0.908 1.00 62.43 N ATOM 621 CZ ARG A 40 4.512 25.062 1.170 1.00 71.44 C ATOM 622 NH1 ARG A 40 3.277 25.437 1.253 1.00 23.01 N ATOM 623 NH2 ARG A 40 5.447 25.926 1.393 1.00 63.05 N ATOM 0 H ARG A 40 1.877 18.300 1.399 1.00 12.22 H new ATOM 0 HA ARG A 40 3.399 20.066 -0.417 1.00 34.54 H new ATOM 0 HB2 ARG A 40 1.778 21.094 1.125 1.00 21.04 H new ATOM 0 HB3 ARG A 40 2.445 20.211 2.483 1.00 21.04 H new ATOM 0 HG2 ARG A 40 3.233 22.457 2.658 1.00 24.43 H new ATOM 0 HG3 ARG A 40 4.603 21.476 2.177 1.00 24.43 H new ATOM 0 HD2 ARG A 40 4.210 22.161 -0.212 1.00 64.04 H new ATOM 0 HD3 ARG A 40 2.908 23.203 0.327 1.00 64.04 H new ATOM 0 HE ARG A 40 5.814 23.577 0.898 1.00 62.43 H new ATOM 0 HH11 ARG A 40 2.528 24.759 1.113 1.00 23.01 H new ATOM 0 HH12 ARG A 40 3.052 26.410 1.459 1.00 23.01 H new ATOM 0 HH21 ARG A 40 6.425 25.638 1.364 1.00 63.05 H new ATOM 0 HH22 ARG A 40 5.207 26.896 1.598 1.00 63.05 H new ATOM 637 N ALA A 41 4.699 17.906 1.547 1.00 52.44 N ATOM 638 CA ALA A 41 5.905 17.365 2.186 1.00 20.11 C ATOM 639 C ALA A 41 6.908 16.771 1.179 1.00 14.25 C ATOM 640 O ALA A 41 6.566 16.470 0.033 1.00 45.00 O ATOM 641 CB ALA A 41 5.516 16.313 3.220 1.00 12.42 C ATOM 0 H ALA A 41 3.916 17.253 1.515 1.00 52.44 H new ATOM 0 HA ALA A 41 6.408 18.201 2.672 1.00 20.11 H new ATOM 0 HB1 ALA A 41 6.415 15.915 3.691 1.00 12.42 H new ATOM 0 HB2 ALA A 41 4.880 16.767 3.979 1.00 12.42 H new ATOM 0 HB3 ALA A 41 4.975 15.504 2.730 1.00 12.42 H new ATOM 647 N LYS A 42 8.154 16.607 1.631 1.00 4.41 N ATOM 648 CA LYS A 42 9.221 16.003 0.823 1.00 13.33 C ATOM 649 C LYS A 42 9.944 14.925 1.651 1.00 60.14 C ATOM 650 O LYS A 42 10.231 15.131 2.835 1.00 71.01 O ATOM 651 CB LYS A 42 10.206 17.101 0.357 1.00 3.51 C ATOM 652 CG LYS A 42 11.082 16.724 -0.846 1.00 15.52 C ATOM 653 CD LYS A 42 12.215 15.763 -0.490 1.00 73.21 C ATOM 654 CE LYS A 42 13.255 16.405 0.425 1.00 42.22 C ATOM 655 NZ LYS A 42 14.052 17.448 -0.277 1.00 15.11 N ATOM 0 H LYS A 42 8.453 16.888 2.565 1.00 4.41 H new ATOM 0 HA LYS A 42 8.794 15.530 -0.061 1.00 13.33 H new ATOM 0 HB2 LYS A 42 9.636 17.995 0.105 1.00 3.51 H new ATOM 0 HB3 LYS A 42 10.856 17.362 1.192 1.00 3.51 H new ATOM 0 HG2 LYS A 42 10.456 16.269 -1.614 1.00 15.52 H new ATOM 0 HG3 LYS A 42 11.506 17.631 -1.277 1.00 15.52 H new ATOM 0 HD2 LYS A 42 11.800 14.881 -0.002 1.00 73.21 H new ATOM 0 HD3 LYS A 42 12.700 15.422 -1.405 1.00 73.21 H new ATOM 0 HE2 LYS A 42 12.755 16.850 1.285 1.00 42.22 H new ATOM 0 HE3 LYS A 42 13.924 15.635 0.808 1.00 42.22 H new ATOM 0 HZ1 LYS A 42 14.821 17.773 0.343 1.00 15.11 H new ATOM 0 HZ2 LYS A 42 14.455 17.049 -1.149 1.00 15.11 H new ATOM 0 HZ3 LYS A 42 13.437 18.252 -0.516 1.00 15.11 H new ATOM 669 N VAL A 43 10.228 13.780 1.032 1.00 11.03 N ATOM 670 CA VAL A 43 10.874 12.660 1.729 1.00 23.02 C ATOM 671 C VAL A 43 12.400 12.849 1.816 1.00 70.02 C ATOM 672 O VAL A 43 13.087 12.950 0.797 1.00 73.41 O ATOM 673 CB VAL A 43 10.568 11.314 1.026 1.00 1.04 C ATOM 674 CG1 VAL A 43 11.235 10.150 1.758 1.00 11.22 C ATOM 675 CG2 VAL A 43 9.059 11.092 0.912 1.00 44.15 C ATOM 0 H VAL A 43 10.022 13.600 0.049 1.00 11.03 H new ATOM 0 HA VAL A 43 10.465 12.641 2.739 1.00 23.02 H new ATOM 0 HB VAL A 43 10.982 11.358 0.019 1.00 1.04 H new ATOM 0 HG11 VAL A 43 11.004 9.217 1.244 1.00 11.22 H new ATOM 0 HG12 VAL A 43 12.315 10.299 1.772 1.00 11.22 H new ATOM 0 HG13 VAL A 43 10.862 10.102 2.781 1.00 11.22 H new ATOM 0 HG21 VAL A 43 8.868 10.141 0.415 1.00 44.15 H new ATOM 0 HG22 VAL A 43 8.617 11.076 1.908 1.00 44.15 H new ATOM 0 HG23 VAL A 43 8.615 11.900 0.331 1.00 44.15 H new ATOM 685 N VAL A 44 12.923 12.897 3.038 1.00 22.41 N ATOM 686 CA VAL A 44 14.368 13.044 3.261 1.00 22.54 C ATOM 687 C VAL A 44 15.055 11.682 3.457 1.00 2.22 C ATOM 688 O VAL A 44 14.460 10.738 3.979 1.00 34.52 O ATOM 689 CB VAL A 44 14.669 13.953 4.482 1.00 35.24 C ATOM 690 CG1 VAL A 44 14.157 15.373 4.241 1.00 44.11 C ATOM 691 CG2 VAL A 44 14.071 13.369 5.761 1.00 25.14 C ATOM 0 H VAL A 44 12.371 12.837 3.894 1.00 22.41 H new ATOM 0 HA VAL A 44 14.771 13.514 2.364 1.00 22.54 H new ATOM 0 HB VAL A 44 15.751 13.999 4.608 1.00 35.24 H new ATOM 0 HG11 VAL A 44 14.379 15.992 5.110 1.00 44.11 H new ATOM 0 HG12 VAL A 44 14.647 15.792 3.362 1.00 44.11 H new ATOM 0 HG13 VAL A 44 13.079 15.349 4.079 1.00 44.11 H new ATOM 0 HG21 VAL A 44 14.297 14.026 6.601 1.00 25.14 H new ATOM 0 HG22 VAL A 44 12.990 13.280 5.650 1.00 25.14 H new ATOM 0 HG23 VAL A 44 14.499 12.384 5.946 1.00 25.14 H new ATOM 701 N ASN A 45 16.314 11.594 3.035 1.00 43.12 N ATOM 702 CA ASN A 45 17.101 10.359 3.160 1.00 51.21 C ATOM 703 C ASN A 45 17.632 10.170 4.594 1.00 4.20 C ATOM 704 O ASN A 45 18.001 9.066 4.993 1.00 74.42 O ATOM 705 CB ASN A 45 18.267 10.387 2.160 1.00 11.54 C ATOM 706 CG ASN A 45 19.127 9.132 2.214 1.00 12.22 C ATOM 707 OD1 ASN A 45 20.106 9.066 2.944 1.00 4.02 O ATOM 708 ND2 ASN A 45 18.771 8.128 1.435 1.00 72.14 N ATOM 0 H ASN A 45 16.818 12.366 2.600 1.00 43.12 H new ATOM 0 HA ASN A 45 16.449 9.515 2.937 1.00 51.21 H new ATOM 0 HB2 ASN A 45 17.871 10.506 1.152 1.00 11.54 H new ATOM 0 HB3 ASN A 45 18.891 11.257 2.362 1.00 11.54 H new ATOM 0 HD21 ASN A 45 19.318 7.267 1.431 1.00 72.14 H new ATOM 0 HD22 ASN A 45 17.949 8.213 0.837 1.00 72.14 H new ATOM 715 N LYS A 46 17.650 11.252 5.370 1.00 60.33 N ATOM 716 CA LYS A 46 18.193 11.224 6.734 1.00 11.33 C ATOM 717 C LYS A 46 17.267 11.947 7.726 1.00 65.44 C ATOM 718 O LYS A 46 16.781 13.048 7.456 1.00 21.25 O ATOM 719 CB LYS A 46 19.602 11.849 6.781 1.00 64.40 C ATOM 720 CG LYS A 46 19.679 13.319 6.351 1.00 51.21 C ATOM 721 CD LYS A 46 19.541 13.505 4.839 1.00 53.34 C ATOM 722 CE LYS A 46 19.756 14.959 4.428 1.00 13.11 C ATOM 723 NZ LYS A 46 21.098 15.459 4.834 1.00 44.11 N ATOM 0 H LYS A 46 17.295 12.163 5.080 1.00 60.33 H new ATOM 0 HA LYS A 46 18.261 10.177 7.030 1.00 11.33 H new ATOM 0 HB2 LYS A 46 19.986 11.764 7.798 1.00 64.40 H new ATOM 0 HB3 LYS A 46 20.263 11.265 6.141 1.00 64.40 H new ATOM 0 HG2 LYS A 46 18.892 13.881 6.854 1.00 51.21 H new ATOM 0 HG3 LYS A 46 20.630 13.739 6.678 1.00 51.21 H new ATOM 0 HD2 LYS A 46 20.265 12.871 4.327 1.00 53.34 H new ATOM 0 HD3 LYS A 46 18.551 13.179 4.521 1.00 53.34 H new ATOM 0 HE2 LYS A 46 19.646 15.051 3.347 1.00 13.11 H new ATOM 0 HE3 LYS A 46 18.985 15.582 4.881 1.00 13.11 H new ATOM 0 HZ1 LYS A 46 21.336 16.305 4.279 1.00 44.11 H new ATOM 0 HZ2 LYS A 46 21.087 15.700 5.846 1.00 44.11 H new ATOM 0 HZ3 LYS A 46 21.810 14.721 4.662 1.00 44.11 H new ATOM 737 N ALA A 47 17.038 11.328 8.883 1.00 73.23 N ATOM 738 CA ALA A 47 16.148 11.891 9.904 1.00 50.31 C ATOM 739 C ALA A 47 16.843 12.988 10.733 1.00 14.11 C ATOM 740 O ALA A 47 17.053 12.840 11.939 1.00 34.43 O ATOM 741 CB ALA A 47 15.620 10.783 10.814 1.00 54.34 C ATOM 0 H ALA A 47 17.456 10.434 9.140 1.00 73.23 H new ATOM 0 HA ALA A 47 15.309 12.359 9.389 1.00 50.31 H new ATOM 0 HB1 ALA A 47 14.961 11.214 11.567 1.00 54.34 H new ATOM 0 HB2 ALA A 47 15.066 10.057 10.219 1.00 54.34 H new ATOM 0 HB3 ALA A 47 16.457 10.286 11.305 1.00 54.34 H new ATOM 747 N GLU A 48 17.218 14.081 10.071 1.00 51.30 N ATOM 748 CA GLU A 48 17.815 15.237 10.757 1.00 42.12 C ATOM 749 C GLU A 48 16.885 16.459 10.687 1.00 62.54 C ATOM 750 O GLU A 48 16.824 17.263 11.617 1.00 45.31 O ATOM 751 CB GLU A 48 19.178 15.594 10.141 1.00 34.15 C ATOM 752 CG GLU A 48 19.100 16.050 8.686 1.00 71.13 C ATOM 753 CD GLU A 48 20.391 16.683 8.201 1.00 3.21 C ATOM 754 OE1 GLU A 48 20.618 17.871 8.503 1.00 22.43 O ATOM 755 OE2 GLU A 48 21.179 16.008 7.515 1.00 45.32 O ATOM 0 H GLU A 48 17.121 14.195 9.062 1.00 51.30 H new ATOM 0 HA GLU A 48 17.958 14.961 11.802 1.00 42.12 H new ATOM 0 HB2 GLU A 48 19.638 16.384 10.735 1.00 34.15 H new ATOM 0 HB3 GLU A 48 19.833 14.725 10.204 1.00 34.15 H new ATOM 0 HG2 GLU A 48 18.859 15.195 8.054 1.00 71.13 H new ATOM 0 HG3 GLU A 48 18.286 16.766 8.577 1.00 71.13 H new ATOM 762 N LYS A 49 16.183 16.595 9.563 1.00 50.11 N ATOM 763 CA LYS A 49 15.230 17.698 9.355 1.00 41.24 C ATOM 764 C LYS A 49 13.785 17.180 9.256 1.00 71.24 C ATOM 765 O LYS A 49 12.862 17.933 8.946 1.00 5.31 O ATOM 766 CB LYS A 49 15.598 18.475 8.080 1.00 13.32 C ATOM 767 CG LYS A 49 16.939 19.203 8.156 1.00 40.21 C ATOM 768 CD LYS A 49 17.262 19.928 6.850 1.00 13.52 C ATOM 769 CE LYS A 49 18.504 20.809 6.968 1.00 71.05 C ATOM 770 NZ LYS A 49 19.732 20.030 7.282 1.00 42.54 N ATOM 0 H LYS A 49 16.253 15.953 8.774 1.00 50.11 H new ATOM 0 HA LYS A 49 15.291 18.363 10.217 1.00 41.24 H new ATOM 0 HB2 LYS A 49 15.621 17.782 7.239 1.00 13.32 H new ATOM 0 HB3 LYS A 49 14.813 19.203 7.872 1.00 13.32 H new ATOM 0 HG2 LYS A 49 16.917 19.921 8.976 1.00 40.21 H new ATOM 0 HG3 LYS A 49 17.730 18.487 8.380 1.00 40.21 H new ATOM 0 HD2 LYS A 49 17.413 19.195 6.058 1.00 13.52 H new ATOM 0 HD3 LYS A 49 16.410 20.542 6.558 1.00 13.52 H new ATOM 0 HE2 LYS A 49 18.651 21.350 6.033 1.00 71.05 H new ATOM 0 HE3 LYS A 49 18.343 21.555 7.746 1.00 71.05 H new ATOM 0 HZ1 LYS A 49 20.269 20.514 8.030 1.00 42.54 H new ATOM 0 HZ2 LYS A 49 19.466 19.079 7.607 1.00 42.54 H new ATOM 0 HZ3 LYS A 49 20.321 19.952 6.429 1.00 42.54 H new ATOM 784 N SER A 50 13.596 15.895 9.534 1.00 31.15 N ATOM 785 CA SER A 50 12.283 15.249 9.410 1.00 31.13 C ATOM 786 C SER A 50 11.388 15.532 10.620 1.00 4.25 C ATOM 787 O SER A 50 11.672 15.085 11.730 1.00 5.21 O ATOM 788 CB SER A 50 12.459 13.737 9.252 1.00 35.43 C ATOM 789 OG SER A 50 13.182 13.185 10.344 1.00 23.11 O ATOM 0 H SER A 50 14.339 15.271 9.850 1.00 31.15 H new ATOM 0 HA SER A 50 11.797 15.665 8.527 1.00 31.13 H new ATOM 0 HB2 SER A 50 11.481 13.260 9.182 1.00 35.43 H new ATOM 0 HB3 SER A 50 12.984 13.525 8.321 1.00 35.43 H new ATOM 0 HG SER A 50 12.979 13.690 11.159 1.00 23.11 H new ATOM 795 N GLU A 51 10.298 16.259 10.387 1.00 54.12 N ATOM 796 CA GLU A 51 9.334 16.589 11.444 1.00 63.43 C ATOM 797 C GLU A 51 8.524 15.338 11.839 1.00 33.52 C ATOM 798 O GLU A 51 8.293 15.076 13.023 1.00 45.31 O ATOM 799 CB GLU A 51 8.408 17.722 10.948 1.00 3.35 C ATOM 800 CG GLU A 51 7.794 18.600 12.047 1.00 23.32 C ATOM 801 CD GLU A 51 6.581 17.984 12.731 1.00 75.23 C ATOM 802 OE1 GLU A 51 5.489 17.985 12.125 1.00 14.03 O ATOM 803 OE2 GLU A 51 6.704 17.534 13.890 1.00 4.45 O ATOM 0 H GLU A 51 10.056 16.635 9.470 1.00 54.12 H new ATOM 0 HA GLU A 51 9.864 16.932 12.333 1.00 63.43 H new ATOM 0 HB2 GLU A 51 8.975 18.361 10.271 1.00 3.35 H new ATOM 0 HB3 GLU A 51 7.599 17.279 10.367 1.00 3.35 H new ATOM 0 HG2 GLU A 51 8.555 18.807 12.799 1.00 23.32 H new ATOM 0 HG3 GLU A 51 7.506 19.557 11.613 1.00 23.32 H new ATOM 810 N ALA A 52 8.117 14.558 10.836 1.00 64.12 N ATOM 811 CA ALA A 52 7.392 13.298 11.061 1.00 34.33 C ATOM 812 C ALA A 52 8.130 12.105 10.427 1.00 32.34 C ATOM 813 O ALA A 52 8.816 12.252 9.411 1.00 1.42 O ATOM 814 CB ALA A 52 5.975 13.403 10.508 1.00 21.32 C ATOM 0 H ALA A 52 8.277 14.775 9.852 1.00 64.12 H new ATOM 0 HA ALA A 52 7.342 13.124 12.136 1.00 34.33 H new ATOM 0 HB1 ALA A 52 5.447 12.465 10.680 1.00 21.32 H new ATOM 0 HB2 ALA A 52 5.447 14.214 11.011 1.00 21.32 H new ATOM 0 HB3 ALA A 52 6.016 13.606 9.438 1.00 21.32 H new ATOM 820 N ILE A 53 7.985 10.921 11.025 1.00 73.02 N ATOM 821 CA ILE A 53 8.675 9.713 10.547 1.00 34.41 C ATOM 822 C ILE A 53 7.707 8.525 10.387 1.00 74.40 C ATOM 823 O ILE A 53 7.031 8.126 11.335 1.00 74.25 O ATOM 824 CB ILE A 53 9.829 9.313 11.508 1.00 14.42 C ATOM 825 CG1 ILE A 53 10.911 10.410 11.528 1.00 42.41 C ATOM 826 CG2 ILE A 53 10.428 7.962 11.114 1.00 71.22 C ATOM 827 CD1 ILE A 53 12.084 10.104 12.435 1.00 30.22 C ATOM 0 H ILE A 53 7.395 10.769 11.843 1.00 73.02 H new ATOM 0 HA ILE A 53 9.089 9.955 9.568 1.00 34.41 H new ATOM 0 HB ILE A 53 9.420 9.213 12.513 1.00 14.42 H new ATOM 0 HG12 ILE A 53 11.280 10.560 10.513 1.00 42.41 H new ATOM 0 HG13 ILE A 53 10.456 11.349 11.844 1.00 42.41 H new ATOM 0 HG21 ILE A 53 11.233 7.706 11.803 1.00 71.22 H new ATOM 0 HG22 ILE A 53 9.655 7.195 11.158 1.00 71.22 H new ATOM 0 HG23 ILE A 53 10.823 8.021 10.100 1.00 71.22 H new ATOM 0 HD11 ILE A 53 12.800 10.924 12.393 1.00 30.22 H new ATOM 0 HD12 ILE A 53 11.730 9.984 13.459 1.00 30.22 H new ATOM 0 HD13 ILE A 53 12.567 9.183 12.107 1.00 30.22 H new ATOM 839 N ILE A 54 7.655 7.956 9.181 1.00 24.21 N ATOM 840 CA ILE A 54 6.766 6.823 8.889 1.00 11.13 C ATOM 841 C ILE A 54 7.553 5.502 8.824 1.00 2.01 C ATOM 842 O ILE A 54 8.510 5.369 8.053 1.00 72.11 O ATOM 843 CB ILE A 54 5.990 7.019 7.552 1.00 13.32 C ATOM 844 CG1 ILE A 54 5.074 8.263 7.607 1.00 3.10 C ATOM 845 CG2 ILE A 54 5.171 5.769 7.214 1.00 0.05 C ATOM 846 CD1 ILE A 54 5.812 9.588 7.548 1.00 44.34 C ATOM 0 H ILE A 54 8.219 8.260 8.387 1.00 24.21 H new ATOM 0 HA ILE A 54 6.046 6.778 9.706 1.00 11.13 H new ATOM 0 HB ILE A 54 6.726 7.179 6.764 1.00 13.32 H new ATOM 0 HG12 ILE A 54 4.369 8.217 6.777 1.00 3.10 H new ATOM 0 HG13 ILE A 54 4.488 8.228 8.526 1.00 3.10 H new ATOM 0 HG21 ILE A 54 4.637 5.926 6.277 1.00 0.05 H new ATOM 0 HG22 ILE A 54 5.838 4.913 7.112 1.00 0.05 H new ATOM 0 HG23 ILE A 54 4.454 5.577 8.012 1.00 0.05 H new ATOM 0 HD11 ILE A 54 5.094 10.407 7.592 1.00 44.34 H new ATOM 0 HD12 ILE A 54 6.497 9.661 8.392 1.00 44.34 H new ATOM 0 HD13 ILE A 54 6.376 9.649 6.617 1.00 44.34 H new ATOM 858 N GLN A 55 7.142 4.528 9.634 1.00 44.05 N ATOM 859 CA GLN A 55 7.787 3.208 9.666 1.00 45.23 C ATOM 860 C GLN A 55 6.823 2.121 9.165 1.00 4.13 C ATOM 861 O GLN A 55 5.736 1.952 9.709 1.00 53.45 O ATOM 862 CB GLN A 55 8.260 2.901 11.104 1.00 4.12 C ATOM 863 CG GLN A 55 9.037 1.588 11.271 1.00 14.12 C ATOM 864 CD GLN A 55 8.144 0.359 11.392 1.00 65.44 C ATOM 865 OE1 GLN A 55 7.034 0.426 11.907 1.00 71.02 O ATOM 866 NE2 GLN A 55 8.619 -0.771 10.910 1.00 5.04 N ATOM 0 H GLN A 55 6.361 4.625 10.282 1.00 44.05 H new ATOM 0 HA GLN A 55 8.652 3.217 9.002 1.00 45.23 H new ATOM 0 HB2 GLN A 55 8.889 3.723 11.445 1.00 4.12 H new ATOM 0 HB3 GLN A 55 7.388 2.874 11.758 1.00 4.12 H new ATOM 0 HG2 GLN A 55 9.703 1.459 10.418 1.00 14.12 H new ATOM 0 HG3 GLN A 55 9.665 1.658 12.159 1.00 14.12 H new ATOM 0 HE21 GLN A 55 9.547 -0.795 10.487 1.00 5.04 H new ATOM 0 HE22 GLN A 55 8.059 -1.622 10.960 1.00 5.04 H new ATOM 875 N ILE A 56 7.217 1.391 8.125 1.00 24.24 N ATOM 876 CA ILE A 56 6.377 0.313 7.583 1.00 14.13 C ATOM 877 C ILE A 56 6.740 -1.044 8.221 1.00 33.33 C ATOM 878 O ILE A 56 7.888 -1.485 8.174 1.00 23.21 O ATOM 879 CB ILE A 56 6.476 0.262 6.026 1.00 42.04 C ATOM 880 CG1 ILE A 56 5.500 -0.770 5.407 1.00 73.31 C ATOM 881 CG2 ILE A 56 7.909 -0.011 5.574 1.00 51.04 C ATOM 882 CD1 ILE A 56 6.015 -2.201 5.361 1.00 41.55 C ATOM 0 H ILE A 56 8.105 1.520 7.640 1.00 24.24 H new ATOM 0 HA ILE A 56 5.339 0.526 7.840 1.00 14.13 H new ATOM 0 HB ILE A 56 6.179 1.245 5.660 1.00 42.04 H new ATOM 0 HG12 ILE A 56 4.570 -0.753 5.976 1.00 73.31 H new ATOM 0 HG13 ILE A 56 5.259 -0.455 4.392 1.00 73.31 H new ATOM 0 HG21 ILE A 56 7.948 -0.041 4.485 1.00 51.04 H new ATOM 0 HG22 ILE A 56 8.563 0.781 5.939 1.00 51.04 H new ATOM 0 HG23 ILE A 56 8.241 -0.969 5.975 1.00 51.04 H new ATOM 0 HD11 ILE A 56 5.260 -2.845 4.911 1.00 41.55 H new ATOM 0 HD12 ILE A 56 6.927 -2.240 4.765 1.00 41.55 H new ATOM 0 HD13 ILE A 56 6.228 -2.544 6.374 1.00 41.55 H new ATOM 894 N VAL A 57 5.747 -1.698 8.829 1.00 61.32 N ATOM 895 CA VAL A 57 5.963 -2.966 9.540 1.00 41.31 C ATOM 896 C VAL A 57 6.033 -4.162 8.575 1.00 50.54 C ATOM 897 O VAL A 57 7.044 -4.860 8.515 1.00 34.23 O ATOM 898 CB VAL A 57 4.849 -3.221 10.590 1.00 33.34 C ATOM 899 CG1 VAL A 57 5.064 -4.554 11.307 1.00 51.23 C ATOM 900 CG2 VAL A 57 4.785 -2.068 11.593 1.00 3.14 C ATOM 0 H VAL A 57 4.781 -1.371 8.844 1.00 61.32 H new ATOM 0 HA VAL A 57 6.922 -2.873 10.049 1.00 41.31 H new ATOM 0 HB VAL A 57 3.895 -3.275 10.066 1.00 33.34 H new ATOM 0 HG11 VAL A 57 4.269 -4.707 12.037 1.00 51.23 H new ATOM 0 HG12 VAL A 57 5.049 -5.365 10.579 1.00 51.23 H new ATOM 0 HG13 VAL A 57 6.027 -4.542 11.817 1.00 51.23 H new ATOM 0 HG21 VAL A 57 3.999 -2.263 12.322 1.00 3.14 H new ATOM 0 HG22 VAL A 57 5.742 -1.979 12.107 1.00 3.14 H new ATOM 0 HG23 VAL A 57 4.569 -1.139 11.066 1.00 3.14 H new ATOM 910 N HIS A 58 4.958 -4.399 7.821 1.00 44.41 N ATOM 911 CA HIS A 58 4.926 -5.521 6.870 1.00 64.50 C ATOM 912 C HIS A 58 3.926 -5.286 5.734 1.00 32.23 C ATOM 913 O HIS A 58 2.836 -4.756 5.949 1.00 72.14 O ATOM 914 CB HIS A 58 4.594 -6.844 7.583 1.00 21.11 C ATOM 915 CG HIS A 58 3.237 -6.890 8.225 1.00 61.22 C ATOM 916 ND1 HIS A 58 2.061 -6.971 7.503 1.00 1.25 N ATOM 917 CD2 HIS A 58 2.868 -6.886 9.530 1.00 1.20 C ATOM 918 CE1 HIS A 58 1.037 -7.015 8.332 1.00 14.31 C ATOM 919 NE2 HIS A 58 1.498 -6.966 9.563 1.00 44.32 N ATOM 0 H HIS A 58 4.106 -3.839 7.846 1.00 44.41 H new ATOM 0 HA HIS A 58 5.924 -5.588 6.436 1.00 64.50 H new ATOM 0 HB2 HIS A 58 4.667 -7.658 6.861 1.00 21.11 H new ATOM 0 HB3 HIS A 58 5.349 -7.028 8.348 1.00 21.11 H new ATOM 0 HD2 HIS A 58 3.528 -6.830 10.383 1.00 1.20 H new ATOM 0 HE1 HIS A 58 -0.003 -7.080 8.049 1.00 14.31 H new ATOM 0 HE2 HIS A 58 0.928 -6.985 10.408 1.00 44.32 H new ATOM 928 N ALA A 59 4.303 -5.703 4.529 1.00 55.41 N ATOM 929 CA ALA A 59 3.414 -5.653 3.365 1.00 63.31 C ATOM 930 C ALA A 59 3.223 -7.059 2.770 1.00 12.21 C ATOM 931 O ALA A 59 4.137 -7.620 2.166 1.00 35.00 O ATOM 932 CB ALA A 59 3.968 -4.693 2.316 1.00 4.33 C ATOM 0 H ALA A 59 5.228 -6.084 4.329 1.00 55.41 H new ATOM 0 HA ALA A 59 2.440 -5.286 3.687 1.00 63.31 H new ATOM 0 HB1 ALA A 59 3.297 -4.666 1.457 1.00 4.33 H new ATOM 0 HB2 ALA A 59 4.050 -3.694 2.744 1.00 4.33 H new ATOM 0 HB3 ALA A 59 4.953 -5.032 1.996 1.00 4.33 H new ATOM 938 N ILE A 60 2.039 -7.632 2.969 1.00 11.41 N ATOM 939 CA ILE A 60 1.740 -8.988 2.495 1.00 70.03 C ATOM 940 C ILE A 60 1.173 -8.962 1.068 1.00 2.22 C ATOM 941 O ILE A 60 0.278 -8.174 0.763 1.00 72.31 O ATOM 942 CB ILE A 60 0.739 -9.697 3.442 1.00 74.51 C ATOM 943 CG1 ILE A 60 1.318 -9.783 4.865 1.00 74.32 C ATOM 944 CG2 ILE A 60 0.376 -11.088 2.920 1.00 71.04 C ATOM 945 CD1 ILE A 60 2.638 -10.526 4.949 1.00 55.43 C ATOM 0 H ILE A 60 1.266 -7.180 3.457 1.00 11.41 H new ATOM 0 HA ILE A 60 2.676 -9.546 2.489 1.00 70.03 H new ATOM 0 HB ILE A 60 -0.176 -9.105 3.474 1.00 74.51 H new ATOM 0 HG12 ILE A 60 1.456 -8.773 5.252 1.00 74.32 H new ATOM 0 HG13 ILE A 60 0.593 -10.276 5.512 1.00 74.32 H new ATOM 0 HG21 ILE A 60 -0.328 -11.561 3.605 1.00 71.04 H new ATOM 0 HG22 ILE A 60 -0.081 -10.999 1.934 1.00 71.04 H new ATOM 0 HG23 ILE A 60 1.278 -11.696 2.848 1.00 71.04 H new ATOM 0 HD11 ILE A 60 2.980 -10.543 5.984 1.00 55.43 H new ATOM 0 HD12 ILE A 60 2.504 -11.548 4.594 1.00 55.43 H new ATOM 0 HD13 ILE A 60 3.380 -10.021 4.330 1.00 55.43 H new ATOM 957 N ARG A 61 1.701 -9.830 0.207 1.00 42.12 N ATOM 958 CA ARG A 61 1.309 -9.877 -1.207 1.00 52.04 C ATOM 959 C ARG A 61 1.197 -11.335 -1.705 1.00 3.01 C ATOM 960 O ARG A 61 2.174 -11.926 -2.172 1.00 33.11 O ATOM 961 CB ARG A 61 2.336 -9.090 -2.046 1.00 61.44 C ATOM 962 CG ARG A 61 3.780 -9.542 -1.815 1.00 2.32 C ATOM 963 CD ARG A 61 4.795 -8.720 -2.605 1.00 4.12 C ATOM 964 NE ARG A 61 6.136 -9.293 -2.491 1.00 23.11 N ATOM 965 CZ ARG A 61 7.212 -8.785 -3.025 1.00 71.31 C ATOM 966 NH1 ARG A 61 7.190 -7.634 -3.614 1.00 14.34 N ATOM 967 NH2 ARG A 61 8.332 -9.423 -2.938 1.00 61.12 N ATOM 0 H ARG A 61 2.409 -10.518 0.464 1.00 42.12 H new ATOM 0 HA ARG A 61 0.326 -9.419 -1.317 1.00 52.04 H new ATOM 0 HB2 ARG A 61 2.093 -9.201 -3.103 1.00 61.44 H new ATOM 0 HB3 ARG A 61 2.252 -8.029 -1.809 1.00 61.44 H new ATOM 0 HG2 ARG A 61 4.012 -9.471 -0.752 1.00 2.32 H new ATOM 0 HG3 ARG A 61 3.875 -10.592 -2.093 1.00 2.32 H new ATOM 0 HD2 ARG A 61 4.500 -8.682 -3.654 1.00 4.12 H new ATOM 0 HD3 ARG A 61 4.802 -7.694 -2.238 1.00 4.12 H new ATOM 0 HE ARG A 61 6.237 -10.154 -1.954 1.00 23.11 H new ATOM 0 HH11 ARG A 61 6.320 -7.105 -3.667 1.00 14.34 H new ATOM 0 HH12 ARG A 61 8.043 -7.255 -4.025 1.00 14.34 H new ATOM 0 HH21 ARG A 61 8.372 -10.320 -2.453 1.00 61.12 H new ATOM 0 HH22 ARG A 61 9.176 -9.030 -3.354 1.00 61.12 H new ATOM 981 N GLU A 62 0.004 -11.922 -1.592 1.00 44.30 N ATOM 982 CA GLU A 62 -0.201 -13.335 -1.960 1.00 45.12 C ATOM 983 C GLU A 62 -1.457 -13.536 -2.826 1.00 20.53 C ATOM 984 O GLU A 62 -2.355 -12.694 -2.855 1.00 42.51 O ATOM 985 CB GLU A 62 -0.314 -14.208 -0.697 1.00 5.11 C ATOM 986 CG GLU A 62 0.915 -14.176 0.211 1.00 62.11 C ATOM 987 CD GLU A 62 0.788 -15.126 1.392 1.00 33.22 C ATOM 988 OE1 GLU A 62 0.727 -16.353 1.163 1.00 13.52 O ATOM 989 OE2 GLU A 62 0.756 -14.658 2.550 1.00 14.41 O ATOM 0 H GLU A 62 -0.833 -11.449 -1.252 1.00 44.30 H new ATOM 0 HA GLU A 62 0.667 -13.636 -2.546 1.00 45.12 H new ATOM 0 HB2 GLU A 62 -1.182 -13.883 -0.123 1.00 5.11 H new ATOM 0 HB3 GLU A 62 -0.499 -15.239 -0.999 1.00 5.11 H new ATOM 0 HG2 GLU A 62 1.799 -14.439 -0.370 1.00 62.11 H new ATOM 0 HG3 GLU A 62 1.065 -13.161 0.579 1.00 62.11 H new ATOM 996 N LYS A 63 -1.513 -14.671 -3.523 1.00 1.41 N ATOM 997 CA LYS A 63 -2.687 -15.038 -4.326 1.00 54.42 C ATOM 998 C LYS A 63 -3.105 -16.496 -4.068 1.00 41.30 C ATOM 999 O LYS A 63 -2.257 -17.369 -3.884 1.00 13.50 O ATOM 1000 CB LYS A 63 -2.411 -14.830 -5.827 1.00 61.35 C ATOM 1001 CG LYS A 63 -1.129 -15.495 -6.332 1.00 10.24 C ATOM 1002 CD LYS A 63 -1.124 -15.656 -7.854 1.00 54.41 C ATOM 1003 CE LYS A 63 -1.357 -14.339 -8.592 1.00 4.35 C ATOM 1004 NZ LYS A 63 -0.249 -13.369 -8.388 1.00 23.22 N ATOM 0 H LYS A 63 -0.758 -15.356 -3.550 1.00 1.41 H new ATOM 0 HA LYS A 63 -3.506 -14.386 -4.024 1.00 54.42 H new ATOM 0 HB2 LYS A 63 -3.256 -15.218 -6.396 1.00 61.35 H new ATOM 0 HB3 LYS A 63 -2.355 -13.760 -6.029 1.00 61.35 H new ATOM 0 HG2 LYS A 63 -0.268 -14.899 -6.028 1.00 10.24 H new ATOM 0 HG3 LYS A 63 -1.020 -16.473 -5.864 1.00 10.24 H new ATOM 0 HD2 LYS A 63 -0.169 -16.078 -8.167 1.00 54.41 H new ATOM 0 HD3 LYS A 63 -1.897 -16.369 -8.141 1.00 54.41 H new ATOM 0 HE2 LYS A 63 -1.470 -14.538 -9.658 1.00 4.35 H new ATOM 0 HE3 LYS A 63 -2.292 -13.895 -8.250 1.00 4.35 H new ATOM 0 HZ1 LYS A 63 -0.507 -12.453 -8.808 1.00 23.22 H new ATOM 0 HZ2 LYS A 63 -0.078 -13.246 -7.369 1.00 23.22 H new ATOM 0 HZ3 LYS A 63 0.615 -13.728 -8.843 1.00 23.22 H new ATOM 1018 N ARG A 64 -4.417 -16.751 -4.044 1.00 70.30 N ATOM 1019 CA ARG A 64 -4.943 -18.114 -3.850 1.00 0.31 C ATOM 1020 C ARG A 64 -6.378 -18.249 -4.391 1.00 23.04 C ATOM 1021 O ARG A 64 -6.958 -17.282 -4.883 1.00 70.21 O ATOM 1022 CB ARG A 64 -4.903 -18.518 -2.362 1.00 24.31 C ATOM 1023 CG ARG A 64 -5.827 -17.711 -1.444 1.00 73.43 C ATOM 1024 CD ARG A 64 -5.311 -16.296 -1.183 1.00 72.51 C ATOM 1025 NE ARG A 64 -6.166 -15.573 -0.243 1.00 1.10 N ATOM 1026 CZ ARG A 64 -5.802 -15.197 0.950 1.00 13.41 C ATOM 1027 NH1 ARG A 64 -4.603 -15.422 1.386 1.00 13.51 N ATOM 1028 NH2 ARG A 64 -6.651 -14.586 1.706 1.00 63.45 N ATOM 0 H ARG A 64 -5.136 -16.036 -4.156 1.00 70.30 H new ATOM 0 HA ARG A 64 -4.299 -18.788 -4.415 1.00 0.31 H new ATOM 0 HB2 ARG A 64 -5.167 -19.573 -2.281 1.00 24.31 H new ATOM 0 HB3 ARG A 64 -3.879 -18.417 -2.001 1.00 24.31 H new ATOM 0 HG2 ARG A 64 -6.819 -17.655 -1.893 1.00 73.43 H new ATOM 0 HG3 ARG A 64 -5.936 -18.234 -0.494 1.00 73.43 H new ATOM 0 HD2 ARG A 64 -4.296 -16.346 -0.788 1.00 72.51 H new ATOM 0 HD3 ARG A 64 -5.260 -15.748 -2.124 1.00 72.51 H new ATOM 0 HE ARG A 64 -7.115 -15.347 -0.542 1.00 1.10 H new ATOM 0 HH11 ARG A 64 -3.926 -15.901 0.792 1.00 13.51 H new ATOM 0 HH12 ARG A 64 -4.336 -15.120 2.323 1.00 13.51 H new ATOM 0 HH21 ARG A 64 -7.595 -14.402 1.367 1.00 63.45 H new ATOM 0 HH22 ARG A 64 -6.377 -14.287 2.642 1.00 63.45 H new ATOM 1042 N ILE A 65 -6.946 -19.454 -4.303 1.00 62.21 N ATOM 1043 CA ILE A 65 -8.319 -19.699 -4.768 1.00 22.13 C ATOM 1044 C ILE A 65 -9.365 -19.028 -3.865 1.00 22.24 C ATOM 1045 O ILE A 65 -9.268 -19.069 -2.639 1.00 34.35 O ATOM 1046 CB ILE A 65 -8.618 -21.225 -4.879 1.00 3.15 C ATOM 1047 CG1 ILE A 65 -8.101 -21.770 -6.220 1.00 14.34 C ATOM 1048 CG2 ILE A 65 -10.114 -21.527 -4.716 1.00 21.05 C ATOM 1049 CD1 ILE A 65 -8.805 -21.173 -7.423 1.00 43.00 C ATOM 0 H ILE A 65 -6.481 -20.275 -3.916 1.00 62.21 H new ATOM 0 HA ILE A 65 -8.392 -19.252 -5.760 1.00 22.13 H new ATOM 0 HB ILE A 65 -8.095 -21.726 -4.065 1.00 3.15 H new ATOM 0 HG12 ILE A 65 -7.032 -21.570 -6.297 1.00 14.34 H new ATOM 0 HG13 ILE A 65 -8.225 -22.853 -6.236 1.00 14.34 H new ATOM 0 HG21 ILE A 65 -10.280 -22.601 -4.800 1.00 21.05 H new ATOM 0 HG22 ILE A 65 -10.450 -21.183 -3.738 1.00 21.05 H new ATOM 0 HG23 ILE A 65 -10.676 -21.011 -5.495 1.00 21.05 H new ATOM 0 HD11 ILE A 65 -8.391 -21.601 -8.336 1.00 43.00 H new ATOM 0 HD12 ILE A 65 -9.871 -21.395 -7.368 1.00 43.00 H new ATOM 0 HD13 ILE A 65 -8.660 -20.093 -7.431 1.00 43.00 H new ATOM 1061 N LEU A 66 -10.359 -18.403 -4.493 1.00 70.22 N ATOM 1062 CA LEU A 66 -11.490 -17.812 -3.774 1.00 12.31 C ATOM 1063 C LEU A 66 -12.721 -18.734 -3.824 1.00 4.15 C ATOM 1064 O LEU A 66 -13.382 -18.968 -2.811 1.00 3.13 O ATOM 1065 CB LEU A 66 -11.843 -16.449 -4.383 1.00 61.21 C ATOM 1066 CG LEU A 66 -12.989 -15.697 -3.685 1.00 0.42 C ATOM 1067 CD1 LEU A 66 -12.613 -15.335 -2.250 1.00 54.23 C ATOM 1068 CD2 LEU A 66 -13.375 -14.451 -4.475 1.00 31.30 C ATOM 0 H LEU A 66 -10.405 -18.291 -5.506 1.00 70.22 H new ATOM 0 HA LEU A 66 -11.198 -17.683 -2.732 1.00 12.31 H new ATOM 0 HB2 LEU A 66 -10.953 -15.820 -4.366 1.00 61.21 H new ATOM 0 HB3 LEU A 66 -12.110 -16.595 -5.430 1.00 61.21 H new ATOM 0 HG LEU A 66 -13.854 -16.359 -3.647 1.00 0.42 H new ATOM 0 HD11 LEU A 66 -13.441 -14.804 -1.780 1.00 54.23 H new ATOM 0 HD12 LEU A 66 -12.400 -16.245 -1.689 1.00 54.23 H new ATOM 0 HD13 LEU A 66 -11.729 -14.697 -2.255 1.00 54.23 H new ATOM 0 HD21 LEU A 66 -14.187 -13.934 -3.964 1.00 31.30 H new ATOM 0 HD22 LEU A 66 -12.514 -13.788 -4.552 1.00 31.30 H new ATOM 0 HD23 LEU A 66 -13.701 -14.740 -5.474 1.00 31.30 H new ATOM 1080 N SER A 67 -13.025 -19.260 -5.015 1.00 72.24 N ATOM 1081 CA SER A 67 -14.205 -20.121 -5.211 1.00 42.04 C ATOM 1082 C SER A 67 -13.980 -21.134 -6.346 1.00 0.31 C ATOM 1083 O SER A 67 -13.288 -20.843 -7.327 1.00 64.15 O ATOM 1084 CB SER A 67 -15.443 -19.266 -5.528 1.00 4.13 C ATOM 1085 OG SER A 67 -15.688 -18.298 -4.514 1.00 53.24 O ATOM 0 H SER A 67 -12.474 -19.107 -5.859 1.00 72.24 H new ATOM 0 HA SER A 67 -14.367 -20.671 -4.284 1.00 42.04 H new ATOM 0 HB2 SER A 67 -15.303 -18.763 -6.485 1.00 4.13 H new ATOM 0 HB3 SER A 67 -16.315 -19.912 -5.632 1.00 4.13 H new ATOM 0 HG SER A 67 -16.481 -17.772 -4.749 1.00 53.24 H new ATOM 1091 N LEU A 68 -14.571 -22.323 -6.209 1.00 31.31 N ATOM 1092 CA LEU A 68 -14.469 -23.378 -7.228 1.00 1.44 C ATOM 1093 C LEU A 68 -15.846 -23.725 -7.826 1.00 12.22 C ATOM 1094 O LEU A 68 -16.829 -23.899 -7.101 1.00 62.43 O ATOM 1095 CB LEU A 68 -13.838 -24.642 -6.622 1.00 24.33 C ATOM 1096 CG LEU A 68 -12.401 -24.484 -6.090 1.00 10.34 C ATOM 1097 CD1 LEU A 68 -11.908 -25.790 -5.467 1.00 4.23 C ATOM 1098 CD2 LEU A 68 -11.460 -24.029 -7.205 1.00 44.31 C ATOM 0 H LEU A 68 -15.130 -22.584 -5.397 1.00 31.31 H new ATOM 0 HA LEU A 68 -13.835 -23.000 -8.030 1.00 1.44 H new ATOM 0 HB2 LEU A 68 -14.472 -24.986 -5.805 1.00 24.33 H new ATOM 0 HB3 LEU A 68 -13.841 -25.426 -7.379 1.00 24.33 H new ATOM 0 HG LEU A 68 -12.407 -23.718 -5.315 1.00 10.34 H new ATOM 0 HD11 LEU A 68 -10.891 -25.656 -5.098 1.00 4.23 H new ATOM 0 HD12 LEU A 68 -12.561 -26.068 -4.639 1.00 4.23 H new ATOM 0 HD13 LEU A 68 -11.920 -26.579 -6.219 1.00 4.23 H new ATOM 0 HD21 LEU A 68 -10.450 -23.923 -6.808 1.00 44.31 H new ATOM 0 HD22 LEU A 68 -11.460 -24.769 -8.006 1.00 44.31 H new ATOM 0 HD23 LEU A 68 -11.798 -23.070 -7.597 1.00 44.31 H new ATOM 1110 N SER A 69 -15.906 -23.830 -9.150 1.00 33.20 N ATOM 1111 CA SER A 69 -17.145 -24.191 -9.852 1.00 41.42 C ATOM 1112 C SER A 69 -17.282 -25.710 -9.998 1.00 51.14 C ATOM 1113 O SER A 69 -16.315 -26.404 -10.324 1.00 70.31 O ATOM 1114 CB SER A 69 -17.194 -23.528 -11.237 1.00 71.41 C ATOM 1115 OG SER A 69 -16.018 -23.790 -11.981 1.00 13.21 O ATOM 0 H SER A 69 -15.109 -23.670 -9.766 1.00 33.20 H new ATOM 0 HA SER A 69 -17.980 -23.828 -9.252 1.00 41.42 H new ATOM 0 HB2 SER A 69 -18.062 -23.894 -11.786 1.00 71.41 H new ATOM 0 HB3 SER A 69 -17.320 -22.451 -11.122 1.00 71.41 H new ATOM 0 HG SER A 69 -16.255 -24.234 -12.822 1.00 13.21 H new ATOM 1121 N GLU A 70 -18.488 -26.219 -9.725 1.00 70.52 N ATOM 1122 CA GLU A 70 -18.798 -27.653 -9.860 1.00 53.22 C ATOM 1123 C GLU A 70 -17.836 -28.533 -9.035 1.00 51.13 C ATOM 1124 O GLU A 70 -17.710 -29.734 -9.286 1.00 42.30 O ATOM 1125 CB GLU A 70 -18.760 -28.066 -11.344 1.00 5.54 C ATOM 1126 CG GLU A 70 -19.598 -27.175 -12.264 1.00 10.13 C ATOM 1127 CD GLU A 70 -21.080 -27.151 -11.901 1.00 61.11 C ATOM 1128 OE1 GLU A 70 -21.486 -26.297 -11.084 1.00 50.01 O ATOM 1129 OE2 GLU A 70 -21.847 -27.974 -12.449 1.00 23.33 O ATOM 0 H GLU A 70 -19.276 -25.655 -9.406 1.00 70.52 H new ATOM 0 HA GLU A 70 -19.802 -27.811 -9.466 1.00 53.22 H new ATOM 0 HB2 GLU A 70 -17.725 -28.052 -11.687 1.00 5.54 H new ATOM 0 HB3 GLU A 70 -19.112 -29.094 -11.433 1.00 5.54 H new ATOM 0 HG2 GLU A 70 -19.206 -26.158 -12.228 1.00 10.13 H new ATOM 0 HG3 GLU A 70 -19.489 -27.522 -13.291 1.00 10.13 H new ATOM 1136 N SER A 71 -17.188 -27.928 -8.035 1.00 50.13 N ATOM 1137 CA SER A 71 -16.185 -28.612 -7.200 1.00 61.35 C ATOM 1138 C SER A 71 -15.009 -29.141 -8.037 1.00 41.51 C ATOM 1139 O SER A 71 -15.085 -30.219 -8.630 1.00 41.42 O ATOM 1140 CB SER A 71 -16.814 -29.764 -6.398 1.00 72.53 C ATOM 1141 OG SER A 71 -15.848 -30.407 -5.572 1.00 12.31 O ATOM 0 H SER A 71 -17.340 -26.953 -7.779 1.00 50.13 H new ATOM 0 HA SER A 71 -15.801 -27.868 -6.502 1.00 61.35 H new ATOM 0 HB2 SER A 71 -17.626 -29.379 -5.780 1.00 72.53 H new ATOM 0 HB3 SER A 71 -17.251 -30.490 -7.083 1.00 72.53 H new ATOM 0 HG SER A 71 -16.276 -31.134 -5.073 1.00 12.31 H new ATOM 1147 N GLY A 72 -13.926 -28.368 -8.101 1.00 24.44 N ATOM 1148 CA GLY A 72 -12.740 -28.793 -8.841 1.00 44.23 C ATOM 1149 C GLY A 72 -12.236 -27.751 -9.838 1.00 11.42 C ATOM 1150 O GLY A 72 -11.027 -27.606 -10.038 1.00 64.04 O ATOM 0 H GLY A 72 -13.845 -27.454 -7.655 1.00 24.44 H new ATOM 0 HA2 GLY A 72 -11.943 -29.022 -8.133 1.00 44.23 H new ATOM 0 HA3 GLY A 72 -12.967 -29.716 -9.376 1.00 44.23 H new ATOM 1154 N ARG A 73 -13.155 -27.023 -10.469 1.00 75.21 N ATOM 1155 CA ARG A 73 -12.778 -26.021 -11.470 1.00 21.21 C ATOM 1156 C ARG A 73 -12.608 -24.626 -10.839 1.00 23.24 C ATOM 1157 O ARG A 73 -13.300 -24.273 -9.886 1.00 24.21 O ATOM 1158 CB ARG A 73 -13.819 -25.973 -12.599 1.00 52.20 C ATOM 1159 CG ARG A 73 -13.350 -25.187 -13.820 1.00 13.11 C ATOM 1160 CD ARG A 73 -12.131 -25.840 -14.467 1.00 62.42 C ATOM 1161 NE ARG A 73 -11.527 -25.003 -15.500 1.00 44.14 N ATOM 1162 CZ ARG A 73 -10.531 -25.375 -16.256 1.00 73.30 C ATOM 1163 NH1 ARG A 73 -10.030 -26.565 -16.163 1.00 32.43 N ATOM 1164 NH2 ARG A 73 -10.036 -24.546 -17.111 1.00 24.13 N ATOM 0 H ARG A 73 -14.159 -27.105 -10.308 1.00 75.21 H new ATOM 0 HA ARG A 73 -11.816 -26.317 -11.888 1.00 21.21 H new ATOM 0 HB2 ARG A 73 -14.063 -26.991 -12.903 1.00 52.20 H new ATOM 0 HB3 ARG A 73 -14.737 -25.526 -12.218 1.00 52.20 H new ATOM 0 HG2 ARG A 73 -14.160 -25.124 -14.547 1.00 13.11 H new ATOM 0 HG3 ARG A 73 -13.105 -24.166 -13.526 1.00 13.11 H new ATOM 0 HD2 ARG A 73 -11.388 -26.055 -13.699 1.00 62.42 H new ATOM 0 HD3 ARG A 73 -12.424 -26.795 -14.904 1.00 62.42 H new ATOM 0 HE ARG A 73 -11.908 -24.067 -15.639 1.00 44.14 H new ATOM 0 HH11 ARG A 73 -10.414 -27.229 -15.491 1.00 32.43 H new ATOM 0 HH12 ARG A 73 -9.251 -26.839 -16.762 1.00 32.43 H new ATOM 0 HH21 ARG A 73 -10.423 -23.606 -17.193 1.00 24.13 H new ATOM 0 HH22 ARG A 73 -9.257 -24.830 -17.705 1.00 24.13 H new ATOM 1178 N VAL A 74 -11.680 -23.840 -11.382 1.00 43.31 N ATOM 1179 CA VAL A 74 -11.371 -22.506 -10.848 1.00 50.12 C ATOM 1180 C VAL A 74 -12.408 -21.446 -11.274 1.00 44.13 C ATOM 1181 O VAL A 74 -12.767 -21.350 -12.448 1.00 53.01 O ATOM 1182 CB VAL A 74 -9.963 -22.047 -11.313 1.00 61.12 C ATOM 1183 CG1 VAL A 74 -9.643 -20.643 -10.806 1.00 73.12 C ATOM 1184 CG2 VAL A 74 -8.896 -23.042 -10.860 1.00 31.25 C ATOM 0 H VAL A 74 -11.124 -24.102 -12.196 1.00 43.31 H new ATOM 0 HA VAL A 74 -11.400 -22.593 -9.762 1.00 50.12 H new ATOM 0 HB VAL A 74 -9.964 -22.015 -12.403 1.00 61.12 H new ATOM 0 HG11 VAL A 74 -8.650 -20.350 -11.148 1.00 73.12 H new ATOM 0 HG12 VAL A 74 -10.382 -19.940 -11.191 1.00 73.12 H new ATOM 0 HG13 VAL A 74 -9.668 -20.635 -9.716 1.00 73.12 H new ATOM 0 HG21 VAL A 74 -7.916 -22.703 -11.196 1.00 31.25 H new ATOM 0 HG22 VAL A 74 -8.903 -23.113 -9.772 1.00 31.25 H new ATOM 0 HG23 VAL A 74 -9.107 -24.022 -11.288 1.00 31.25 H new ATOM 1194 N ARG A 75 -12.890 -20.661 -10.301 1.00 25.33 N ATOM 1195 CA ARG A 75 -13.752 -19.498 -10.582 1.00 71.03 C ATOM 1196 C ARG A 75 -12.971 -18.186 -10.442 1.00 14.32 C ATOM 1197 O ARG A 75 -12.645 -17.528 -11.429 1.00 13.41 O ATOM 1198 CB ARG A 75 -14.955 -19.464 -9.628 1.00 50.43 C ATOM 1199 CG ARG A 75 -16.050 -20.469 -9.955 1.00 54.21 C ATOM 1200 CD ARG A 75 -17.211 -20.362 -8.972 1.00 73.31 C ATOM 1201 NE ARG A 75 -17.780 -19.012 -8.925 1.00 42.21 N ATOM 1202 CZ ARG A 75 -18.527 -18.566 -7.946 1.00 61.24 C ATOM 1203 NH1 ARG A 75 -18.788 -19.316 -6.923 1.00 72.14 N ATOM 1204 NH2 ARG A 75 -19.007 -17.363 -7.989 1.00 71.31 N ATOM 0 H ARG A 75 -12.699 -20.808 -9.310 1.00 25.33 H new ATOM 0 HA ARG A 75 -14.105 -19.599 -11.608 1.00 71.03 H new ATOM 0 HB2 ARG A 75 -14.603 -19.647 -8.613 1.00 50.43 H new ATOM 0 HB3 ARG A 75 -15.384 -18.462 -9.640 1.00 50.43 H new ATOM 0 HG2 ARG A 75 -16.412 -20.299 -10.969 1.00 54.21 H new ATOM 0 HG3 ARG A 75 -15.640 -21.479 -9.928 1.00 54.21 H new ATOM 0 HD2 ARG A 75 -17.989 -21.072 -9.254 1.00 73.31 H new ATOM 0 HD3 ARG A 75 -16.868 -20.644 -7.976 1.00 73.31 H new ATOM 0 HE ARG A 75 -17.582 -18.382 -9.702 1.00 42.21 H new ATOM 0 HH11 ARG A 75 -18.411 -20.262 -6.875 1.00 72.14 H new ATOM 0 HH12 ARG A 75 -19.371 -18.960 -6.165 1.00 72.14 H new ATOM 0 HH21 ARG A 75 -18.803 -16.761 -8.787 1.00 71.31 H new ATOM 0 HH22 ARG A 75 -19.588 -17.018 -7.225 1.00 71.31 H new ATOM 1218 N GLU A 76 -12.675 -17.815 -9.196 1.00 22.53 N ATOM 1219 CA GLU A 76 -11.994 -16.552 -8.893 1.00 32.21 C ATOM 1220 C GLU A 76 -10.728 -16.787 -8.060 1.00 64.13 C ATOM 1221 O GLU A 76 -10.672 -17.695 -7.224 1.00 23.05 O ATOM 1222 CB GLU A 76 -12.945 -15.607 -8.138 1.00 71.33 C ATOM 1223 CG GLU A 76 -14.261 -15.347 -8.864 1.00 61.31 C ATOM 1224 CD GLU A 76 -15.181 -14.407 -8.098 1.00 5.43 C ATOM 1225 OE1 GLU A 76 -15.672 -14.799 -7.021 1.00 53.34 O ATOM 1226 OE2 GLU A 76 -15.425 -13.279 -8.579 1.00 21.31 O ATOM 0 H GLU A 76 -12.898 -18.375 -8.373 1.00 22.53 H new ATOM 0 HA GLU A 76 -11.701 -16.095 -9.838 1.00 32.21 H new ATOM 0 HB2 GLU A 76 -13.160 -16.031 -7.157 1.00 71.33 H new ATOM 0 HB3 GLU A 76 -12.439 -14.656 -7.970 1.00 71.33 H new ATOM 0 HG2 GLU A 76 -14.051 -14.923 -9.846 1.00 61.31 H new ATOM 0 HG3 GLU A 76 -14.773 -16.295 -9.029 1.00 61.31 H new ATOM 1233 N PHE A 77 -9.717 -15.960 -8.294 1.00 42.51 N ATOM 1234 CA PHE A 77 -8.447 -16.040 -7.574 1.00 43.22 C ATOM 1235 C PHE A 77 -8.261 -14.789 -6.697 1.00 13.54 C ATOM 1236 O PHE A 77 -8.142 -13.673 -7.208 1.00 51.01 O ATOM 1237 CB PHE A 77 -7.290 -16.178 -8.582 1.00 3.51 C ATOM 1238 CG PHE A 77 -6.238 -17.181 -8.176 1.00 31.12 C ATOM 1239 CD1 PHE A 77 -6.491 -18.541 -8.279 1.00 24.24 C ATOM 1240 CD2 PHE A 77 -5.002 -16.771 -7.698 1.00 21.04 C ATOM 1241 CE1 PHE A 77 -5.534 -19.469 -7.915 1.00 74.25 C ATOM 1242 CE2 PHE A 77 -4.042 -17.697 -7.333 1.00 52.23 C ATOM 1243 CZ PHE A 77 -4.310 -19.046 -7.441 1.00 63.50 C ATOM 0 H PHE A 77 -9.752 -15.214 -8.988 1.00 42.51 H new ATOM 0 HA PHE A 77 -8.451 -16.916 -6.925 1.00 43.22 H new ATOM 0 HB2 PHE A 77 -7.698 -16.467 -9.551 1.00 3.51 H new ATOM 0 HB3 PHE A 77 -6.818 -15.204 -8.713 1.00 3.51 H new ATOM 0 HD1 PHE A 77 -7.448 -18.879 -8.648 1.00 24.24 H new ATOM 0 HD2 PHE A 77 -4.787 -15.716 -7.610 1.00 21.04 H new ATOM 0 HE1 PHE A 77 -5.744 -20.525 -8.002 1.00 74.25 H new ATOM 0 HE2 PHE A 77 -3.083 -17.364 -6.964 1.00 52.23 H new ATOM 0 HZ PHE A 77 -3.562 -19.770 -7.155 1.00 63.50 H new ATOM 1253 N GLU A 78 -8.252 -14.978 -5.382 1.00 30.54 N ATOM 1254 CA GLU A 78 -8.173 -13.861 -4.434 1.00 13.40 C ATOM 1255 C GLU A 78 -6.730 -13.374 -4.229 1.00 74.41 C ATOM 1256 O GLU A 78 -5.832 -14.152 -3.897 1.00 34.51 O ATOM 1257 CB GLU A 78 -8.785 -14.272 -3.087 1.00 22.43 C ATOM 1258 CG GLU A 78 -8.710 -13.184 -2.017 1.00 21.23 C ATOM 1259 CD GLU A 78 -9.380 -13.589 -0.713 1.00 73.42 C ATOM 1260 OE1 GLU A 78 -8.800 -14.408 0.033 1.00 5.41 O ATOM 1261 OE2 GLU A 78 -10.487 -13.093 -0.428 1.00 34.23 O ATOM 0 H GLU A 78 -8.299 -15.897 -4.942 1.00 30.54 H new ATOM 0 HA GLU A 78 -8.739 -13.032 -4.858 1.00 13.40 H new ATOM 0 HB2 GLU A 78 -9.829 -14.545 -3.241 1.00 22.43 H new ATOM 0 HB3 GLU A 78 -8.273 -15.163 -2.723 1.00 22.43 H new ATOM 0 HG2 GLU A 78 -7.665 -12.944 -1.823 1.00 21.23 H new ATOM 0 HG3 GLU A 78 -9.181 -12.277 -2.395 1.00 21.23 H new ATOM 1268 N LEU A 79 -6.523 -12.077 -4.439 1.00 43.30 N ATOM 1269 CA LEU A 79 -5.228 -11.435 -4.202 1.00 13.34 C ATOM 1270 C LEU A 79 -5.253 -10.684 -2.855 1.00 62.40 C ATOM 1271 O LEU A 79 -5.937 -9.668 -2.718 1.00 64.12 O ATOM 1272 CB LEU A 79 -4.911 -10.451 -5.346 1.00 73.45 C ATOM 1273 CG LEU A 79 -5.147 -10.982 -6.775 1.00 62.13 C ATOM 1274 CD1 LEU A 79 -4.843 -9.903 -7.809 1.00 10.03 C ATOM 1275 CD2 LEU A 79 -4.312 -12.232 -7.042 1.00 22.12 C ATOM 0 H LEU A 79 -7.245 -11.440 -4.777 1.00 43.30 H new ATOM 0 HA LEU A 79 -4.453 -12.201 -4.168 1.00 13.34 H new ATOM 0 HB2 LEU A 79 -5.516 -9.555 -5.207 1.00 73.45 H new ATOM 0 HB3 LEU A 79 -3.868 -10.147 -5.260 1.00 73.45 H new ATOM 0 HG LEU A 79 -6.199 -11.255 -6.861 1.00 62.13 H new ATOM 0 HD11 LEU A 79 -5.016 -10.299 -8.810 1.00 10.03 H new ATOM 0 HD12 LEU A 79 -5.493 -9.045 -7.641 1.00 10.03 H new ATOM 0 HD13 LEU A 79 -3.802 -9.593 -7.716 1.00 10.03 H new ATOM 0 HD21 LEU A 79 -4.498 -12.584 -8.057 1.00 22.12 H new ATOM 0 HD22 LEU A 79 -3.254 -11.994 -6.929 1.00 22.12 H new ATOM 0 HD23 LEU A 79 -4.586 -13.011 -6.331 1.00 22.12 H new ATOM 1287 N VAL A 80 -4.522 -11.187 -1.862 1.00 11.14 N ATOM 1288 CA VAL A 80 -4.521 -10.575 -0.525 1.00 60.34 C ATOM 1289 C VAL A 80 -3.362 -9.575 -0.360 1.00 30.25 C ATOM 1290 O VAL A 80 -2.209 -9.876 -0.687 1.00 31.14 O ATOM 1291 CB VAL A 80 -4.458 -11.651 0.593 1.00 10.14 C ATOM 1292 CG1 VAL A 80 -3.188 -12.486 0.484 1.00 45.25 C ATOM 1293 CG2 VAL A 80 -4.577 -11.009 1.974 1.00 72.40 C ATOM 0 H VAL A 80 -3.926 -12.010 -1.951 1.00 11.14 H new ATOM 0 HA VAL A 80 -5.460 -10.030 -0.428 1.00 60.34 H new ATOM 0 HB VAL A 80 -5.307 -12.322 0.459 1.00 10.14 H new ATOM 0 HG11 VAL A 80 -3.173 -13.230 1.280 1.00 45.25 H new ATOM 0 HG12 VAL A 80 -3.165 -12.988 -0.483 1.00 45.25 H new ATOM 0 HG13 VAL A 80 -2.317 -11.837 0.577 1.00 45.25 H new ATOM 0 HG21 VAL A 80 -4.530 -11.783 2.740 1.00 72.40 H new ATOM 0 HG22 VAL A 80 -3.758 -10.304 2.119 1.00 72.40 H new ATOM 0 HG23 VAL A 80 -5.528 -10.481 2.049 1.00 72.40 H new ATOM 1303 N TYR A 81 -3.679 -8.384 0.150 1.00 11.54 N ATOM 1304 CA TYR A 81 -2.691 -7.308 0.306 1.00 33.31 C ATOM 1305 C TYR A 81 -2.822 -6.633 1.688 1.00 13.15 C ATOM 1306 O TYR A 81 -3.744 -5.853 1.926 1.00 63.35 O ATOM 1307 CB TYR A 81 -2.884 -6.286 -0.826 1.00 53.13 C ATOM 1308 CG TYR A 81 -1.763 -5.273 -0.971 1.00 14.24 C ATOM 1309 CD1 TYR A 81 -0.471 -5.677 -1.301 1.00 53.11 C ATOM 1310 CD2 TYR A 81 -1.999 -3.914 -0.796 1.00 74.21 C ATOM 1311 CE1 TYR A 81 0.550 -4.755 -1.448 1.00 73.33 C ATOM 1312 CE2 TYR A 81 -0.985 -2.988 -0.945 1.00 34.23 C ATOM 1313 CZ TYR A 81 0.288 -3.412 -1.270 1.00 60.15 C ATOM 1314 OH TYR A 81 1.299 -2.487 -1.421 1.00 42.42 O ATOM 0 H TYR A 81 -4.617 -8.136 0.465 1.00 11.54 H new ATOM 0 HA TYR A 81 -1.687 -7.728 0.246 1.00 33.31 H new ATOM 0 HB2 TYR A 81 -2.991 -6.825 -1.768 1.00 53.13 H new ATOM 0 HB3 TYR A 81 -3.818 -5.751 -0.657 1.00 53.13 H new ATOM 0 HD1 TYR A 81 -0.263 -6.727 -1.444 1.00 53.11 H new ATOM 0 HD2 TYR A 81 -2.992 -3.577 -0.539 1.00 74.21 H new ATOM 0 HE1 TYR A 81 1.547 -5.085 -1.701 1.00 73.33 H new ATOM 0 HE2 TYR A 81 -1.187 -1.936 -0.808 1.00 34.23 H new ATOM 0 HH TYR A 81 0.945 -1.587 -1.262 1.00 42.42 H new ATOM 1324 N ARG A 82 -1.901 -6.952 2.604 1.00 35.50 N ATOM 1325 CA ARG A 82 -1.964 -6.435 3.986 1.00 24.42 C ATOM 1326 C ARG A 82 -0.773 -5.519 4.319 1.00 10.51 C ATOM 1327 O ARG A 82 0.340 -5.999 4.553 1.00 75.33 O ATOM 1328 CB ARG A 82 -1.994 -7.597 4.990 1.00 42.45 C ATOM 1329 CG ARG A 82 -3.168 -8.552 4.814 1.00 33.31 C ATOM 1330 CD ARG A 82 -3.108 -9.703 5.816 1.00 55.24 C ATOM 1331 NE ARG A 82 -3.093 -9.227 7.202 1.00 73.10 N ATOM 1332 CZ ARG A 82 -2.458 -9.818 8.180 1.00 71.31 C ATOM 1333 NH1 ARG A 82 -1.767 -10.888 7.966 1.00 74.15 N ATOM 1334 NH2 ARG A 82 -2.510 -9.330 9.374 1.00 30.03 N ATOM 0 H ARG A 82 -1.105 -7.562 2.420 1.00 35.50 H new ATOM 0 HA ARG A 82 -2.879 -5.848 4.061 1.00 24.42 H new ATOM 0 HB2 ARG A 82 -1.066 -8.162 4.901 1.00 42.45 H new ATOM 0 HB3 ARG A 82 -2.023 -7.188 6.000 1.00 42.45 H new ATOM 0 HG2 ARG A 82 -4.104 -8.007 4.940 1.00 33.31 H new ATOM 0 HG3 ARG A 82 -3.165 -8.951 3.800 1.00 33.31 H new ATOM 0 HD2 ARG A 82 -3.967 -10.358 5.667 1.00 55.24 H new ATOM 0 HD3 ARG A 82 -2.216 -10.300 5.629 1.00 55.24 H new ATOM 0 HE ARG A 82 -3.613 -8.377 7.418 1.00 73.10 H new ATOM 0 HH11 ARG A 82 -1.713 -11.280 7.026 1.00 74.15 H new ATOM 0 HH12 ARG A 82 -1.276 -11.340 8.737 1.00 74.15 H new ATOM 0 HH21 ARG A 82 -3.047 -8.482 9.555 1.00 30.03 H new ATOM 0 HH22 ARG A 82 -2.014 -9.792 10.136 1.00 30.03 H new ATOM 1348 N VAL A 83 -1.011 -4.207 4.359 1.00 64.31 N ATOM 1349 CA VAL A 83 0.048 -3.235 4.688 1.00 12.22 C ATOM 1350 C VAL A 83 -0.118 -2.673 6.112 1.00 21.13 C ATOM 1351 O VAL A 83 -1.091 -1.986 6.409 1.00 70.43 O ATOM 1352 CB VAL A 83 0.070 -2.059 3.678 1.00 54.25 C ATOM 1353 CG1 VAL A 83 1.195 -1.077 4.009 1.00 52.41 C ATOM 1354 CG2 VAL A 83 0.210 -2.580 2.250 1.00 24.32 C ATOM 0 H VAL A 83 -1.922 -3.788 4.169 1.00 64.31 H new ATOM 0 HA VAL A 83 0.993 -3.775 4.630 1.00 12.22 H new ATOM 0 HB VAL A 83 -0.877 -1.526 3.757 1.00 54.25 H new ATOM 0 HG11 VAL A 83 1.190 -0.261 3.286 1.00 52.41 H new ATOM 0 HG12 VAL A 83 1.044 -0.675 5.011 1.00 52.41 H new ATOM 0 HG13 VAL A 83 2.154 -1.594 3.966 1.00 52.41 H new ATOM 0 HG21 VAL A 83 0.223 -1.740 1.556 1.00 24.32 H new ATOM 0 HG22 VAL A 83 1.139 -3.142 2.157 1.00 24.32 H new ATOM 0 HG23 VAL A 83 -0.633 -3.231 2.016 1.00 24.32 H new ATOM 1364 N ALA A 84 0.846 -2.966 6.984 1.00 14.01 N ATOM 1365 CA ALA A 84 0.831 -2.473 8.369 1.00 64.34 C ATOM 1366 C ALA A 84 2.020 -1.539 8.634 1.00 54.42 C ATOM 1367 O ALA A 84 3.113 -1.753 8.103 1.00 54.42 O ATOM 1368 CB ALA A 84 0.850 -3.644 9.346 1.00 12.24 C ATOM 0 H ALA A 84 1.654 -3.546 6.758 1.00 14.01 H new ATOM 0 HA ALA A 84 -0.087 -1.904 8.517 1.00 64.34 H new ATOM 0 HB1 ALA A 84 0.839 -3.265 10.368 1.00 12.24 H new ATOM 0 HB2 ALA A 84 -0.027 -4.270 9.181 1.00 12.24 H new ATOM 0 HB3 ALA A 84 1.752 -4.235 9.188 1.00 12.24 H new ATOM 1374 N ALA A 85 1.814 -0.519 9.470 1.00 54.41 N ATOM 1375 CA ALA A 85 2.853 0.486 9.731 1.00 65.24 C ATOM 1376 C ALA A 85 2.657 1.208 11.077 1.00 4.11 C ATOM 1377 O ALA A 85 1.579 1.175 11.666 1.00 60.31 O ATOM 1378 CB ALA A 85 2.880 1.507 8.596 1.00 14.52 C ATOM 0 H ALA A 85 0.942 -0.365 9.977 1.00 54.41 H new ATOM 0 HA ALA A 85 3.805 -0.042 9.786 1.00 65.24 H new ATOM 0 HB1 ALA A 85 3.652 2.251 8.794 1.00 14.52 H new ATOM 0 HB2 ALA A 85 3.097 1.000 7.656 1.00 14.52 H new ATOM 0 HB3 ALA A 85 1.910 2.000 8.527 1.00 14.52 H new ATOM 1384 N ARG A 86 3.723 1.847 11.560 1.00 21.42 N ATOM 1385 CA ARG A 86 3.661 2.712 12.745 1.00 41.40 C ATOM 1386 C ARG A 86 3.947 4.174 12.350 1.00 34.44 C ATOM 1387 O ARG A 86 4.822 4.440 11.524 1.00 40.35 O ATOM 1388 CB ARG A 86 4.678 2.257 13.805 1.00 34.21 C ATOM 1389 CG ARG A 86 4.512 0.806 14.258 1.00 25.25 C ATOM 1390 CD ARG A 86 5.544 0.432 15.323 1.00 1.31 C ATOM 1391 NE ARG A 86 5.489 -0.987 15.690 1.00 23.13 N ATOM 1392 CZ ARG A 86 6.163 -1.514 16.678 1.00 21.14 C ATOM 1393 NH1 ARG A 86 6.834 -0.767 17.487 1.00 54.13 N ATOM 1394 NH2 ARG A 86 6.121 -2.789 16.884 1.00 44.33 N ATOM 0 H ARG A 86 4.652 1.782 11.144 1.00 21.42 H new ATOM 0 HA ARG A 86 2.658 2.640 13.167 1.00 41.40 H new ATOM 0 HB2 ARG A 86 5.684 2.387 13.405 1.00 34.21 H new ATOM 0 HB3 ARG A 86 4.594 2.908 14.675 1.00 34.21 H new ATOM 0 HG2 ARG A 86 3.508 0.660 14.655 1.00 25.25 H new ATOM 0 HG3 ARG A 86 4.615 0.141 13.400 1.00 25.25 H new ATOM 0 HD2 ARG A 86 6.542 0.670 14.955 1.00 1.31 H new ATOM 0 HD3 ARG A 86 5.379 1.040 16.213 1.00 1.31 H new ATOM 0 HE ARG A 86 4.888 -1.600 15.140 1.00 23.13 H new ATOM 0 HH11 ARG A 86 6.842 0.245 17.359 1.00 54.13 H new ATOM 0 HH12 ARG A 86 7.357 -1.188 18.255 1.00 54.13 H new ATOM 0 HH21 ARG A 86 5.561 -3.386 16.275 1.00 44.33 H new ATOM 0 HH22 ARG A 86 6.648 -3.199 17.656 1.00 44.33 H new ATOM 1408 N LEU A 87 3.212 5.116 12.938 1.00 25.24 N ATOM 1409 CA LEU A 87 3.381 6.540 12.620 1.00 24.45 C ATOM 1410 C LEU A 87 4.106 7.262 13.770 1.00 22.32 C ATOM 1411 O LEU A 87 3.535 7.478 14.845 1.00 13.34 O ATOM 1412 CB LEU A 87 2.001 7.171 12.344 1.00 71.42 C ATOM 1413 CG LEU A 87 1.990 8.466 11.502 1.00 14.32 C ATOM 1414 CD1 LEU A 87 0.578 8.751 10.993 1.00 3.34 C ATOM 1415 CD2 LEU A 87 2.516 9.665 12.297 1.00 23.24 C ATOM 0 H LEU A 87 2.494 4.924 13.636 1.00 25.24 H new ATOM 0 HA LEU A 87 3.995 6.644 11.726 1.00 24.45 H new ATOM 0 HB2 LEU A 87 1.382 6.430 11.838 1.00 71.42 H new ATOM 0 HB3 LEU A 87 1.525 7.383 13.302 1.00 71.42 H new ATOM 0 HG LEU A 87 2.656 8.314 10.653 1.00 14.32 H new ATOM 0 HD11 LEU A 87 0.582 9.666 10.401 1.00 3.34 H new ATOM 0 HD12 LEU A 87 0.240 7.920 10.374 1.00 3.34 H new ATOM 0 HD13 LEU A 87 -0.097 8.871 11.840 1.00 3.34 H new ATOM 0 HD21 LEU A 87 2.492 10.556 11.670 1.00 23.24 H new ATOM 0 HD22 LEU A 87 1.890 9.822 13.175 1.00 23.24 H new ATOM 0 HD23 LEU A 87 3.541 9.471 12.613 1.00 23.24 H new ATOM 1427 N LEU A 88 5.365 7.628 13.536 1.00 65.33 N ATOM 1428 CA LEU A 88 6.211 8.233 14.575 1.00 34.12 C ATOM 1429 C LEU A 88 6.494 9.718 14.290 1.00 24.34 C ATOM 1430 O LEU A 88 6.241 10.217 13.192 1.00 44.13 O ATOM 1431 CB LEU A 88 7.554 7.483 14.695 1.00 43.33 C ATOM 1432 CG LEU A 88 7.469 5.956 14.905 1.00 53.54 C ATOM 1433 CD1 LEU A 88 7.166 5.234 13.595 1.00 33.43 C ATOM 1434 CD2 LEU A 88 8.755 5.421 15.529 1.00 52.00 C ATOM 0 H LEU A 88 5.827 7.517 12.634 1.00 65.33 H new ATOM 0 HA LEU A 88 5.660 8.155 15.512 1.00 34.12 H new ATOM 0 HB2 LEU A 88 8.133 7.672 13.791 1.00 43.33 H new ATOM 0 HB3 LEU A 88 8.112 7.912 15.527 1.00 43.33 H new ATOM 0 HG LEU A 88 6.647 5.761 15.594 1.00 53.54 H new ATOM 0 HD11 LEU A 88 7.112 4.160 13.775 1.00 33.43 H new ATOM 0 HD12 LEU A 88 6.213 5.584 13.199 1.00 33.43 H new ATOM 0 HD13 LEU A 88 7.956 5.442 12.874 1.00 33.43 H new ATOM 0 HD21 LEU A 88 8.671 4.343 15.667 1.00 52.00 H new ATOM 0 HD22 LEU A 88 9.596 5.638 14.871 1.00 52.00 H new ATOM 0 HD23 LEU A 88 8.917 5.899 16.495 1.00 52.00 H new ATOM 1446 N ASP A 89 7.021 10.416 15.292 1.00 63.43 N ATOM 1447 CA ASP A 89 7.456 11.807 15.124 1.00 34.03 C ATOM 1448 C ASP A 89 8.984 11.878 14.915 1.00 22.44 C ATOM 1449 O ASP A 89 9.645 10.853 14.726 1.00 41.11 O ATOM 1450 CB ASP A 89 7.049 12.630 16.353 1.00 34.40 C ATOM 1451 CG ASP A 89 7.952 12.374 17.546 1.00 33.03 C ATOM 1452 OD1 ASP A 89 8.046 11.216 17.992 1.00 14.10 O ATOM 1453 OD2 ASP A 89 8.588 13.335 18.030 1.00 24.05 O ATOM 0 H ASP A 89 7.159 10.044 16.232 1.00 63.43 H new ATOM 0 HA ASP A 89 6.971 12.221 14.240 1.00 34.03 H new ATOM 0 HB2 ASP A 89 7.075 13.690 16.102 1.00 34.40 H new ATOM 0 HB3 ASP A 89 6.020 12.392 16.622 1.00 34.40 H new ATOM 1458 N ALA A 90 9.541 13.089 14.963 1.00 15.42 N ATOM 1459 CA ALA A 90 10.987 13.291 14.783 1.00 63.14 C ATOM 1460 C ALA A 90 11.818 12.583 15.869 1.00 64.52 C ATOM 1461 O ALA A 90 12.946 12.159 15.620 1.00 71.32 O ATOM 1462 CB ALA A 90 11.308 14.780 14.772 1.00 21.10 C ATOM 0 H ALA A 90 9.016 13.948 15.125 1.00 15.42 H new ATOM 0 HA ALA A 90 11.258 12.847 13.825 1.00 63.14 H new ATOM 0 HB1 ALA A 90 12.381 14.920 14.638 1.00 21.10 H new ATOM 0 HB2 ALA A 90 10.774 15.261 13.952 1.00 21.10 H new ATOM 0 HB3 ALA A 90 10.999 15.226 15.717 1.00 21.10 H new ATOM 1468 N HIS A 91 11.255 12.450 17.071 1.00 33.42 N ATOM 1469 CA HIS A 91 11.964 11.826 18.197 1.00 13.34 C ATOM 1470 C HIS A 91 11.757 10.302 18.236 1.00 74.21 C ATOM 1471 O HIS A 91 12.069 9.653 19.234 1.00 50.02 O ATOM 1472 CB HIS A 91 11.520 12.459 19.522 1.00 64.21 C ATOM 1473 CG HIS A 91 11.789 13.931 19.590 1.00 23.23 C ATOM 1474 ND1 HIS A 91 13.036 14.456 19.847 1.00 53.33 N ATOM 1475 CD2 HIS A 91 10.972 14.992 19.405 1.00 70.31 C ATOM 1476 CE1 HIS A 91 12.975 15.772 19.819 1.00 12.22 C ATOM 1477 NE2 HIS A 91 11.734 16.126 19.550 1.00 25.21 N ATOM 0 H HIS A 91 10.311 12.765 17.293 1.00 33.42 H new ATOM 0 HA HIS A 91 13.029 12.006 18.053 1.00 13.34 H new ATOM 0 HB2 HIS A 91 10.453 12.284 19.662 1.00 64.21 H new ATOM 0 HB3 HIS A 91 12.035 11.963 20.345 1.00 64.21 H new ATOM 0 HD2 HIS A 91 9.915 14.955 19.184 1.00 70.31 H new ATOM 0 HE1 HIS A 91 13.802 16.446 19.988 1.00 12.22 H new ATOM 0 HE2 HIS A 91 11.395 17.084 19.464 1.00 25.21 H new ATOM 1486 N ASN A 92 11.233 9.745 17.141 1.00 13.24 N ATOM 1487 CA ASN A 92 11.090 8.290 16.977 1.00 62.33 C ATOM 1488 C ASN A 92 10.064 7.682 17.950 1.00 61.11 C ATOM 1489 O ASN A 92 10.102 6.485 18.237 1.00 44.12 O ATOM 1490 CB ASN A 92 12.447 7.590 17.142 1.00 14.11 C ATOM 1491 CG ASN A 92 13.508 8.132 16.202 1.00 12.32 C ATOM 1492 OD1 ASN A 92 13.109 8.550 15.018 1.00 62.21 O flip ATOM 1493 ND2 ASN A 92 14.687 8.168 16.534 1.00 52.15 N flip ATOM 0 H ASN A 92 10.896 10.285 16.344 1.00 13.24 H new ATOM 0 HA ASN A 92 10.717 8.126 15.966 1.00 62.33 H new ATOM 0 HB2 ASN A 92 12.787 7.705 18.171 1.00 14.11 H new ATOM 0 HB3 ASN A 92 12.323 6.522 16.965 1.00 14.11 H new ATOM 0 HD21 ASN A 92 14.967 7.838 17.457 1.00 52.15 H new ATOM 0 HD22 ASN A 92 15.388 8.528 15.887 1.00 52.15 H new ATOM 1500 N ALA A 93 9.141 8.501 18.439 1.00 23.12 N ATOM 1501 CA ALA A 93 8.043 8.008 19.271 1.00 41.55 C ATOM 1502 C ALA A 93 6.811 7.721 18.403 1.00 60.24 C ATOM 1503 O ALA A 93 6.339 8.594 17.672 1.00 45.55 O ATOM 1504 CB ALA A 93 7.710 9.016 20.367 1.00 71.14 C ATOM 0 H ALA A 93 9.128 9.508 18.276 1.00 23.12 H new ATOM 0 HA ALA A 93 8.354 7.079 19.748 1.00 41.55 H new ATOM 0 HB1 ALA A 93 6.891 8.634 20.977 1.00 71.14 H new ATOM 0 HB2 ALA A 93 8.587 9.174 20.995 1.00 71.14 H new ATOM 0 HB3 ALA A 93 7.414 9.962 19.914 1.00 71.14 H new ATOM 1510 N GLU A 94 6.296 6.495 18.467 1.00 32.15 N ATOM 1511 CA GLU A 94 5.136 6.113 17.659 1.00 33.30 C ATOM 1512 C GLU A 94 3.837 6.707 18.227 1.00 31.23 C ATOM 1513 O GLU A 94 3.090 6.048 18.953 1.00 72.24 O ATOM 1514 CB GLU A 94 5.042 4.582 17.517 1.00 75.13 C ATOM 1515 CG GLU A 94 5.142 3.818 18.832 1.00 14.24 C ATOM 1516 CD GLU A 94 4.959 2.320 18.650 1.00 52.20 C ATOM 1517 OE1 GLU A 94 5.966 1.619 18.408 1.00 24.12 O ATOM 1518 OE2 GLU A 94 3.804 1.842 18.740 1.00 12.24 O ATOM 0 H GLU A 94 6.659 5.753 19.065 1.00 32.15 H new ATOM 0 HA GLU A 94 5.273 6.530 16.661 1.00 33.30 H new ATOM 0 HB2 GLU A 94 4.096 4.332 17.037 1.00 75.13 H new ATOM 0 HB3 GLU A 94 5.836 4.242 16.853 1.00 75.13 H new ATOM 0 HG2 GLU A 94 6.114 4.009 19.287 1.00 14.24 H new ATOM 0 HG3 GLU A 94 4.387 4.192 19.524 1.00 14.24 H new ATOM 1525 N LEU A 95 3.592 7.975 17.902 1.00 41.14 N ATOM 1526 CA LEU A 95 2.394 8.693 18.359 1.00 14.53 C ATOM 1527 C LEU A 95 1.091 8.004 17.912 1.00 74.50 C ATOM 1528 O LEU A 95 0.155 7.853 18.701 1.00 61.32 O ATOM 1529 CB LEU A 95 2.420 10.153 17.858 1.00 63.24 C ATOM 1530 CG LEU A 95 3.179 11.157 18.747 1.00 53.24 C ATOM 1531 CD1 LEU A 95 2.559 11.218 20.141 1.00 61.04 C ATOM 1532 CD2 LEU A 95 4.663 10.814 18.830 1.00 10.41 C ATOM 0 H LEU A 95 4.212 8.535 17.317 1.00 41.14 H new ATOM 0 HA LEU A 95 2.410 8.681 19.449 1.00 14.53 H new ATOM 0 HB2 LEU A 95 2.867 10.168 16.864 1.00 63.24 H new ATOM 0 HB3 LEU A 95 1.392 10.498 17.750 1.00 63.24 H new ATOM 0 HG LEU A 95 3.092 12.142 18.287 1.00 53.24 H new ATOM 0 HD11 LEU A 95 3.109 11.932 20.753 1.00 61.04 H new ATOM 0 HD12 LEU A 95 1.518 11.533 20.063 1.00 61.04 H new ATOM 0 HD13 LEU A 95 2.606 10.232 20.604 1.00 61.04 H new ATOM 0 HD21 LEU A 95 5.170 11.541 19.464 1.00 10.41 H new ATOM 0 HD22 LEU A 95 4.783 9.817 19.254 1.00 10.41 H new ATOM 0 HD23 LEU A 95 5.098 10.838 17.831 1.00 10.41 H new ATOM 1544 N ALA A 96 1.034 7.580 16.652 1.00 34.15 N ATOM 1545 CA ALA A 96 -0.178 6.961 16.101 1.00 34.11 C ATOM 1546 C ALA A 96 0.070 5.514 15.641 1.00 51.44 C ATOM 1547 O ALA A 96 0.967 5.245 14.837 1.00 24.23 O ATOM 1548 CB ALA A 96 -0.716 7.803 14.949 1.00 43.43 C ATOM 0 H ALA A 96 1.808 7.651 15.992 1.00 34.15 H new ATOM 0 HA ALA A 96 -0.921 6.922 16.897 1.00 34.11 H new ATOM 0 HB1 ALA A 96 -1.615 7.336 14.546 1.00 43.43 H new ATOM 0 HB2 ALA A 96 -0.957 8.803 15.311 1.00 43.43 H new ATOM 0 HB3 ALA A 96 0.039 7.872 14.166 1.00 43.43 H new ATOM 1554 N SER A 97 -0.731 4.582 16.155 1.00 12.05 N ATOM 1555 CA SER A 97 -0.637 3.174 15.751 1.00 72.22 C ATOM 1556 C SER A 97 -1.484 2.916 14.500 1.00 23.21 C ATOM 1557 O SER A 97 -2.680 2.633 14.589 1.00 41.34 O ATOM 1558 CB SER A 97 -1.088 2.245 16.887 1.00 54.45 C ATOM 1559 OG SER A 97 -1.007 0.879 16.502 1.00 65.42 O ATOM 0 H SER A 97 -1.452 4.773 16.851 1.00 12.05 H new ATOM 0 HA SER A 97 0.407 2.961 15.523 1.00 72.22 H new ATOM 0 HB2 SER A 97 -0.466 2.414 17.766 1.00 54.45 H new ATOM 0 HB3 SER A 97 -2.113 2.485 17.170 1.00 54.45 H new ATOM 0 HG SER A 97 -1.299 0.312 17.246 1.00 65.42 H new ATOM 1565 N LEU A 98 -0.855 3.037 13.336 1.00 31.24 N ATOM 1566 CA LEU A 98 -1.554 2.903 12.058 1.00 73.54 C ATOM 1567 C LEU A 98 -1.971 1.443 11.804 1.00 21.30 C ATOM 1568 O LEU A 98 -1.152 0.603 11.427 1.00 54.15 O ATOM 1569 CB LEU A 98 -0.658 3.435 10.925 1.00 22.13 C ATOM 1570 CG LEU A 98 -1.309 3.513 9.532 1.00 15.43 C ATOM 1571 CD1 LEU A 98 -2.643 4.250 9.592 1.00 62.10 C ATOM 1572 CD2 LEU A 98 -0.361 4.200 8.547 1.00 74.50 C ATOM 0 H LEU A 98 0.143 3.229 13.249 1.00 31.24 H new ATOM 0 HA LEU A 98 -2.468 3.495 12.090 1.00 73.54 H new ATOM 0 HB2 LEU A 98 -0.312 4.432 11.199 1.00 22.13 H new ATOM 0 HB3 LEU A 98 0.225 2.799 10.857 1.00 22.13 H new ATOM 0 HG LEU A 98 -1.502 2.498 9.186 1.00 15.43 H new ATOM 0 HD11 LEU A 98 -3.081 4.291 8.595 1.00 62.10 H new ATOM 0 HD12 LEU A 98 -3.320 3.723 10.265 1.00 62.10 H new ATOM 0 HD13 LEU A 98 -2.483 5.264 9.960 1.00 62.10 H new ATOM 0 HD21 LEU A 98 -0.831 4.250 7.565 1.00 74.50 H new ATOM 0 HD22 LEU A 98 -0.142 5.209 8.896 1.00 74.50 H new ATOM 0 HD23 LEU A 98 0.566 3.631 8.477 1.00 74.50 H new ATOM 1584 N GLN A 99 -3.254 1.152 12.037 1.00 60.41 N ATOM 1585 CA GLN A 99 -3.791 -0.209 11.892 1.00 52.33 C ATOM 1586 C GLN A 99 -3.564 -0.757 10.476 1.00 12.14 C ATOM 1587 O GLN A 99 -3.635 -0.009 9.494 1.00 50.52 O ATOM 1588 CB GLN A 99 -5.292 -0.221 12.217 1.00 3.23 C ATOM 1589 CG GLN A 99 -5.632 0.348 13.590 1.00 41.04 C ATOM 1590 CD GLN A 99 -7.127 0.351 13.862 1.00 4.23 C ATOM 1591 OE1 GLN A 99 -7.828 1.303 13.538 1.00 32.53 O ATOM 1592 NE2 GLN A 99 -7.626 -0.711 14.456 1.00 53.53 N ATOM 0 H GLN A 99 -3.945 1.843 12.328 1.00 60.41 H new ATOM 0 HA GLN A 99 -3.259 -0.852 12.593 1.00 52.33 H new ATOM 0 HB2 GLN A 99 -5.823 0.351 11.456 1.00 3.23 H new ATOM 0 HB3 GLN A 99 -5.658 -1.246 12.159 1.00 3.23 H new ATOM 0 HG2 GLN A 99 -5.127 -0.238 14.358 1.00 41.04 H new ATOM 0 HG3 GLN A 99 -5.250 1.366 13.663 1.00 41.04 H new ATOM 0 HE21 GLN A 99 -7.015 -1.486 14.713 1.00 53.53 H new ATOM 0 HE22 GLN A 99 -8.624 -0.759 14.660 1.00 53.53 H new ATOM 1601 N GLU A 100 -3.310 -2.062 10.376 1.00 42.10 N ATOM 1602 CA GLU A 100 -3.023 -2.699 9.087 1.00 74.02 C ATOM 1603 C GLU A 100 -4.134 -2.448 8.058 1.00 13.41 C ATOM 1604 O GLU A 100 -5.316 -2.691 8.315 1.00 14.04 O ATOM 1605 CB GLU A 100 -2.809 -4.213 9.255 1.00 75.25 C ATOM 1606 CG GLU A 100 -4.033 -4.970 9.775 1.00 41.50 C ATOM 1607 CD GLU A 100 -3.848 -6.480 9.738 1.00 0.22 C ATOM 1608 OE1 GLU A 100 -3.321 -7.047 10.717 1.00 25.15 O ATOM 1609 OE2 GLU A 100 -4.224 -7.113 8.722 1.00 42.23 O ATOM 0 H GLU A 100 -3.297 -2.700 11.172 1.00 42.10 H new ATOM 0 HA GLU A 100 -2.105 -2.245 8.713 1.00 74.02 H new ATOM 0 HB2 GLU A 100 -2.517 -4.635 8.293 1.00 75.25 H new ATOM 0 HB3 GLU A 100 -1.977 -4.376 9.941 1.00 75.25 H new ATOM 0 HG2 GLU A 100 -4.240 -4.658 10.799 1.00 41.50 H new ATOM 0 HG3 GLU A 100 -4.903 -4.700 9.177 1.00 41.50 H new ATOM 1616 N ILE A 101 -3.751 -1.931 6.903 1.00 42.12 N ATOM 1617 CA ILE A 101 -4.668 -1.782 5.782 1.00 41.34 C ATOM 1618 C ILE A 101 -4.793 -3.118 5.035 1.00 1.10 C ATOM 1619 O ILE A 101 -3.990 -3.436 4.153 1.00 30.03 O ATOM 1620 CB ILE A 101 -4.196 -0.664 4.820 1.00 14.43 C ATOM 1621 CG1 ILE A 101 -4.001 0.646 5.602 1.00 10.11 C ATOM 1622 CG2 ILE A 101 -5.197 -0.471 3.680 1.00 43.11 C ATOM 1623 CD1 ILE A 101 -3.450 1.779 4.769 1.00 32.41 C ATOM 0 H ILE A 101 -2.803 -1.604 6.715 1.00 42.12 H new ATOM 0 HA ILE A 101 -5.646 -1.495 6.169 1.00 41.34 H new ATOM 0 HB ILE A 101 -3.243 -0.957 4.380 1.00 14.43 H new ATOM 0 HG12 ILE A 101 -4.958 0.951 6.025 1.00 10.11 H new ATOM 0 HG13 ILE A 101 -3.327 0.462 6.438 1.00 10.11 H new ATOM 0 HG21 ILE A 101 -4.845 0.319 3.017 1.00 43.11 H new ATOM 0 HG22 ILE A 101 -5.293 -1.400 3.119 1.00 43.11 H new ATOM 0 HG23 ILE A 101 -6.168 -0.194 4.091 1.00 43.11 H new ATOM 0 HD11 ILE A 101 -3.341 2.668 5.390 1.00 32.41 H new ATOM 0 HD12 ILE A 101 -2.477 1.495 4.367 1.00 32.41 H new ATOM 0 HD13 ILE A 101 -4.134 1.993 3.947 1.00 32.41 H new ATOM 1635 N ARG A 102 -5.773 -3.919 5.443 1.00 1.41 N ATOM 1636 CA ARG A 102 -5.974 -5.257 4.884 1.00 42.11 C ATOM 1637 C ARG A 102 -6.957 -5.229 3.705 1.00 4.00 C ATOM 1638 O ARG A 102 -8.176 -5.251 3.893 1.00 23.14 O ATOM 1639 CB ARG A 102 -6.465 -6.206 5.990 1.00 70.51 C ATOM 1640 CG ARG A 102 -6.685 -7.647 5.541 1.00 24.42 C ATOM 1641 CD ARG A 102 -6.871 -8.584 6.732 1.00 43.21 C ATOM 1642 NE ARG A 102 -8.026 -8.226 7.559 1.00 12.51 N ATOM 1643 CZ ARG A 102 -7.949 -7.847 8.811 1.00 54.40 C ATOM 1644 NH1 ARG A 102 -6.799 -7.660 9.378 1.00 33.34 N ATOM 1645 NH2 ARG A 102 -9.026 -7.622 9.487 1.00 14.11 N ATOM 0 H ARG A 102 -6.447 -3.664 6.165 1.00 1.41 H new ATOM 0 HA ARG A 102 -5.022 -5.622 4.498 1.00 42.11 H new ATOM 0 HB2 ARG A 102 -5.740 -6.200 6.804 1.00 70.51 H new ATOM 0 HB3 ARG A 102 -7.400 -5.819 6.394 1.00 70.51 H new ATOM 0 HG2 ARG A 102 -7.563 -7.698 4.897 1.00 24.42 H new ATOM 0 HG3 ARG A 102 -5.833 -7.978 4.947 1.00 24.42 H new ATOM 0 HD2 ARG A 102 -6.991 -9.605 6.370 1.00 43.21 H new ATOM 0 HD3 ARG A 102 -5.971 -8.567 7.346 1.00 43.21 H new ATOM 0 HE ARG A 102 -8.951 -8.275 7.132 1.00 12.51 H new ATOM 0 HH11 ARG A 102 -5.940 -7.808 8.849 1.00 33.34 H new ATOM 0 HH12 ARG A 102 -6.753 -7.365 10.353 1.00 33.34 H new ATOM 0 HH21 ARG A 102 -9.938 -7.739 9.046 1.00 14.11 H new ATOM 0 HH22 ARG A 102 -8.964 -7.327 10.461 1.00 14.11 H new ATOM 1659 N LEU A 103 -6.412 -5.162 2.492 1.00 25.45 N ATOM 1660 CA LEU A 103 -7.218 -5.104 1.270 1.00 54.31 C ATOM 1661 C LEU A 103 -7.195 -6.444 0.513 1.00 51.04 C ATOM 1662 O LEU A 103 -6.211 -7.182 0.559 1.00 2.14 O ATOM 1663 CB LEU A 103 -6.693 -3.994 0.346 1.00 14.41 C ATOM 1664 CG LEU A 103 -6.616 -2.584 0.962 1.00 30.43 C ATOM 1665 CD1 LEU A 103 -6.003 -1.601 -0.030 1.00 13.04 C ATOM 1666 CD2 LEU A 103 -7.996 -2.102 1.408 1.00 63.13 C ATOM 0 H LEU A 103 -5.406 -5.146 2.327 1.00 25.45 H new ATOM 0 HA LEU A 103 -8.246 -4.891 1.564 1.00 54.31 H new ATOM 0 HB2 LEU A 103 -5.697 -4.274 0.004 1.00 14.41 H new ATOM 0 HB3 LEU A 103 -7.332 -3.950 -0.536 1.00 14.41 H new ATOM 0 HG LEU A 103 -5.976 -2.636 1.843 1.00 30.43 H new ATOM 0 HD11 LEU A 103 -5.956 -0.610 0.422 1.00 13.04 H new ATOM 0 HD12 LEU A 103 -4.997 -1.928 -0.292 1.00 13.04 H new ATOM 0 HD13 LEU A 103 -6.617 -1.561 -0.930 1.00 13.04 H new ATOM 0 HD21 LEU A 103 -7.911 -1.104 1.839 1.00 63.13 H new ATOM 0 HD22 LEU A 103 -8.666 -2.070 0.549 1.00 63.13 H new ATOM 0 HD23 LEU A 103 -8.397 -2.787 2.155 1.00 63.13 H new ATOM 1678 N THR A 104 -8.293 -6.753 -0.171 1.00 31.02 N ATOM 1679 CA THR A 104 -8.365 -7.929 -1.050 1.00 23.21 C ATOM 1680 C THR A 104 -8.805 -7.522 -2.460 1.00 14.24 C ATOM 1681 O THR A 104 -9.677 -6.670 -2.628 1.00 73.15 O ATOM 1682 CB THR A 104 -9.355 -8.991 -0.510 1.00 71.13 C ATOM 1683 OG1 THR A 104 -10.659 -8.412 -0.359 1.00 61.14 O ATOM 1684 CG2 THR A 104 -8.885 -9.554 0.829 1.00 42.43 C ATOM 0 H THR A 104 -9.153 -6.205 -0.137 1.00 31.02 H new ATOM 0 HA THR A 104 -7.365 -8.362 -1.080 1.00 23.21 H new ATOM 0 HB THR A 104 -9.398 -9.809 -1.229 1.00 71.13 H new ATOM 0 HG1 THR A 104 -11.280 -9.089 -0.019 1.00 61.14 H new ATOM 0 HG21 THR A 104 -9.600 -10.297 1.183 1.00 42.43 H new ATOM 0 HG22 THR A 104 -7.908 -10.021 0.704 1.00 42.43 H new ATOM 0 HG23 THR A 104 -8.811 -8.746 1.557 1.00 42.43 H new ATOM 1692 N ARG A 105 -8.192 -8.119 -3.475 1.00 31.13 N ATOM 1693 CA ARG A 105 -8.553 -7.841 -4.869 1.00 53.14 C ATOM 1694 C ARG A 105 -8.898 -9.145 -5.600 1.00 34.21 C ATOM 1695 O ARG A 105 -8.124 -10.098 -5.579 1.00 31.54 O ATOM 1696 CB ARG A 105 -7.398 -7.117 -5.582 1.00 24.42 C ATOM 1697 CG ARG A 105 -7.800 -6.375 -6.859 1.00 31.11 C ATOM 1698 CD ARG A 105 -8.505 -5.042 -6.579 1.00 22.43 C ATOM 1699 NE ARG A 105 -9.846 -5.199 -6.004 1.00 3.43 N ATOM 1700 CZ ARG A 105 -10.839 -4.376 -6.227 1.00 72.34 C ATOM 1701 NH1 ARG A 105 -10.671 -3.315 -6.951 1.00 14.54 N ATOM 1702 NH2 ARG A 105 -11.996 -4.603 -5.695 1.00 3.35 N ATOM 0 H ARG A 105 -7.441 -8.800 -3.364 1.00 31.13 H new ATOM 0 HA ARG A 105 -9.430 -7.194 -4.881 1.00 53.14 H new ATOM 0 HB2 ARG A 105 -6.951 -6.404 -4.889 1.00 24.42 H new ATOM 0 HB3 ARG A 105 -6.627 -7.847 -5.829 1.00 24.42 H new ATOM 0 HG2 ARG A 105 -6.910 -6.190 -7.461 1.00 31.11 H new ATOM 0 HG3 ARG A 105 -8.458 -7.011 -7.451 1.00 31.11 H new ATOM 0 HD2 ARG A 105 -7.893 -4.452 -5.897 1.00 22.43 H new ATOM 0 HD3 ARG A 105 -8.581 -4.478 -7.508 1.00 22.43 H new ATOM 0 HE ARG A 105 -10.015 -5.998 -5.393 1.00 3.43 H new ATOM 0 HH11 ARG A 105 -9.757 -3.113 -7.355 1.00 14.54 H new ATOM 0 HH12 ARG A 105 -11.453 -2.682 -7.117 1.00 14.54 H new ATOM 0 HH21 ARG A 105 -12.133 -5.422 -5.103 1.00 3.35 H new ATOM 0 HH22 ARG A 105 -12.771 -3.963 -5.868 1.00 3.35 H new ATOM 1716 N ILE A 106 -10.055 -9.188 -6.252 1.00 54.11 N ATOM 1717 CA ILE A 106 -10.547 -10.430 -6.854 1.00 65.24 C ATOM 1718 C ILE A 106 -10.185 -10.532 -8.345 1.00 45.41 C ATOM 1719 O ILE A 106 -10.563 -9.677 -9.149 1.00 21.53 O ATOM 1720 CB ILE A 106 -12.082 -10.551 -6.690 1.00 64.42 C ATOM 1721 CG1 ILE A 106 -12.489 -10.333 -5.220 1.00 60.15 C ATOM 1722 CG2 ILE A 106 -12.575 -11.907 -7.192 1.00 23.13 C ATOM 1723 CD1 ILE A 106 -11.792 -11.259 -4.241 1.00 31.55 C ATOM 0 H ILE A 106 -10.669 -8.384 -6.379 1.00 54.11 H new ATOM 0 HA ILE A 106 -10.058 -11.249 -6.327 1.00 65.24 H new ATOM 0 HB ILE A 106 -12.552 -9.775 -7.294 1.00 64.42 H new ATOM 0 HG12 ILE A 106 -12.274 -9.301 -4.944 1.00 60.15 H new ATOM 0 HG13 ILE A 106 -13.567 -10.469 -5.128 1.00 60.15 H new ATOM 0 HG21 ILE A 106 -13.656 -11.970 -7.067 1.00 23.13 H new ATOM 0 HG22 ILE A 106 -12.324 -12.017 -8.247 1.00 23.13 H new ATOM 0 HG23 ILE A 106 -12.097 -12.702 -6.620 1.00 23.13 H new ATOM 0 HD11 ILE A 106 -12.133 -11.042 -3.229 1.00 31.55 H new ATOM 0 HD12 ILE A 106 -12.027 -12.294 -4.489 1.00 31.55 H new ATOM 0 HD13 ILE A 106 -10.714 -11.107 -4.301 1.00 31.55 H new ATOM 1735 N LEU A 107 -9.446 -11.581 -8.704 1.00 2.25 N ATOM 1736 CA LEU A 107 -9.081 -11.842 -10.102 1.00 52.13 C ATOM 1737 C LEU A 107 -9.901 -13.027 -10.652 1.00 11.21 C ATOM 1738 O LEU A 107 -9.578 -14.186 -10.391 1.00 33.45 O ATOM 1739 CB LEU A 107 -7.561 -12.129 -10.203 1.00 50.30 C ATOM 1740 CG LEU A 107 -6.941 -12.156 -11.623 1.00 51.03 C ATOM 1741 CD1 LEU A 107 -7.335 -13.410 -12.405 1.00 3.24 C ATOM 1742 CD2 LEU A 107 -7.319 -10.897 -12.399 1.00 30.22 C ATOM 0 H LEU A 107 -9.085 -12.270 -8.044 1.00 2.25 H new ATOM 0 HA LEU A 107 -9.308 -10.962 -10.704 1.00 52.13 H new ATOM 0 HB2 LEU A 107 -7.035 -11.375 -9.618 1.00 50.30 H new ATOM 0 HB3 LEU A 107 -7.366 -13.092 -9.730 1.00 50.30 H new ATOM 0 HG LEU A 107 -5.858 -12.183 -11.499 1.00 51.03 H new ATOM 0 HD11 LEU A 107 -6.876 -13.382 -13.393 1.00 3.24 H new ATOM 0 HD12 LEU A 107 -6.991 -14.295 -11.870 1.00 3.24 H new ATOM 0 HD13 LEU A 107 -8.419 -13.448 -12.510 1.00 3.24 H new ATOM 0 HD21 LEU A 107 -6.874 -10.935 -13.393 1.00 30.22 H new ATOM 0 HD22 LEU A 107 -8.404 -10.837 -12.489 1.00 30.22 H new ATOM 0 HD23 LEU A 107 -6.950 -10.019 -11.870 1.00 30.22 H new ATOM 1754 N PRO A 108 -10.988 -12.759 -11.401 1.00 75.43 N ATOM 1755 CA PRO A 108 -11.799 -13.823 -12.025 1.00 30.51 C ATOM 1756 C PRO A 108 -11.025 -14.583 -13.116 1.00 63.02 C ATOM 1757 O PRO A 108 -10.427 -13.979 -14.009 1.00 64.35 O ATOM 1758 CB PRO A 108 -12.991 -13.059 -12.624 1.00 52.44 C ATOM 1759 CG PRO A 108 -12.482 -11.671 -12.827 1.00 45.44 C ATOM 1760 CD PRO A 108 -11.524 -11.415 -11.695 1.00 61.03 C ATOM 0 HA PRO A 108 -12.093 -14.590 -11.308 1.00 30.51 H new ATOM 0 HB2 PRO A 108 -13.315 -13.504 -13.565 1.00 52.44 H new ATOM 0 HB3 PRO A 108 -13.849 -13.073 -11.952 1.00 52.44 H new ATOM 0 HG2 PRO A 108 -11.983 -11.575 -13.791 1.00 45.44 H new ATOM 0 HG3 PRO A 108 -13.299 -10.950 -12.818 1.00 45.44 H new ATOM 0 HD2 PRO A 108 -10.735 -10.720 -11.984 1.00 61.03 H new ATOM 0 HD3 PRO A 108 -12.028 -10.984 -10.830 1.00 61.03 H new ATOM 1768 N PHE A 109 -11.029 -15.910 -13.035 1.00 44.02 N ATOM 1769 CA PHE A 109 -10.294 -16.744 -13.989 1.00 50.12 C ATOM 1770 C PHE A 109 -11.168 -17.126 -15.193 1.00 34.22 C ATOM 1771 O PHE A 109 -12.087 -17.940 -15.078 1.00 63.04 O ATOM 1772 CB PHE A 109 -9.770 -18.008 -13.289 1.00 25.24 C ATOM 1773 CG PHE A 109 -8.901 -18.880 -14.167 1.00 24.30 C ATOM 1774 CD1 PHE A 109 -7.543 -18.622 -14.292 1.00 2.53 C ATOM 1775 CD2 PHE A 109 -9.440 -19.955 -14.864 1.00 70.43 C ATOM 1776 CE1 PHE A 109 -6.742 -19.415 -15.094 1.00 61.44 C ATOM 1777 CE2 PHE A 109 -8.642 -20.749 -15.666 1.00 53.32 C ATOM 1778 CZ PHE A 109 -7.292 -20.480 -15.780 1.00 1.31 C ATOM 0 H PHE A 109 -11.532 -16.434 -12.319 1.00 44.02 H new ATOM 0 HA PHE A 109 -9.450 -16.164 -14.362 1.00 50.12 H new ATOM 0 HB2 PHE A 109 -9.199 -17.713 -12.408 1.00 25.24 H new ATOM 0 HB3 PHE A 109 -10.619 -18.595 -12.937 1.00 25.24 H new ATOM 0 HD1 PHE A 109 -7.106 -17.792 -13.757 1.00 2.53 H new ATOM 0 HD2 PHE A 109 -10.494 -20.172 -14.778 1.00 70.43 H new ATOM 0 HE1 PHE A 109 -5.687 -19.201 -15.184 1.00 61.44 H new ATOM 0 HE2 PHE A 109 -9.074 -21.580 -16.204 1.00 53.32 H new ATOM 0 HZ PHE A 109 -6.668 -21.102 -16.405 1.00 1.31 H new ATOM 1788 N LEU A 110 -10.889 -16.515 -16.342 1.00 10.31 N ATOM 1789 CA LEU A 110 -11.564 -16.874 -17.593 1.00 62.22 C ATOM 1790 C LEU A 110 -10.765 -17.959 -18.328 1.00 71.40 C ATOM 1791 O LEU A 110 -9.684 -17.699 -18.860 1.00 54.43 O ATOM 1792 CB LEU A 110 -11.751 -15.640 -18.495 1.00 62.24 C ATOM 1793 CG LEU A 110 -12.733 -14.571 -17.974 1.00 14.31 C ATOM 1794 CD1 LEU A 110 -12.184 -13.865 -16.737 1.00 55.40 C ATOM 1795 CD2 LEU A 110 -13.060 -13.559 -19.072 1.00 1.13 C ATOM 0 H LEU A 110 -10.200 -15.768 -16.436 1.00 10.31 H new ATOM 0 HA LEU A 110 -12.552 -17.264 -17.350 1.00 62.22 H new ATOM 0 HB2 LEU A 110 -10.778 -15.171 -18.644 1.00 62.24 H new ATOM 0 HB3 LEU A 110 -12.095 -15.977 -19.473 1.00 62.24 H new ATOM 0 HG LEU A 110 -13.653 -15.078 -17.685 1.00 14.31 H new ATOM 0 HD11 LEU A 110 -12.901 -13.118 -16.396 1.00 55.40 H new ATOM 0 HD12 LEU A 110 -12.017 -14.595 -15.945 1.00 55.40 H new ATOM 0 HD13 LEU A 110 -11.242 -13.377 -16.985 1.00 55.40 H new ATOM 0 HD21 LEU A 110 -13.754 -12.813 -18.685 1.00 1.13 H new ATOM 0 HD22 LEU A 110 -12.144 -13.067 -19.398 1.00 1.13 H new ATOM 0 HD23 LEU A 110 -13.516 -14.074 -19.918 1.00 1.13 H new ATOM 1807 N ASP A 111 -11.314 -19.167 -18.354 1.00 30.22 N ATOM 1808 CA ASP A 111 -10.596 -20.356 -18.827 1.00 22.32 C ATOM 1809 C ASP A 111 -9.982 -20.184 -20.233 1.00 72.04 C ATOM 1810 O ASP A 111 -8.852 -20.607 -20.477 1.00 62.13 O ATOM 1811 CB ASP A 111 -11.540 -21.560 -18.811 1.00 42.05 C ATOM 1812 CG ASP A 111 -12.193 -21.748 -17.452 1.00 74.52 C ATOM 1813 OD1 ASP A 111 -11.606 -22.433 -16.596 1.00 52.54 O ATOM 1814 OD2 ASP A 111 -13.300 -21.211 -17.235 1.00 11.01 O ATOM 0 H ASP A 111 -12.269 -19.356 -18.049 1.00 30.22 H new ATOM 0 HA ASP A 111 -9.760 -20.515 -18.145 1.00 22.32 H new ATOM 0 HB2 ASP A 111 -12.311 -21.427 -19.569 1.00 42.05 H new ATOM 0 HB3 ASP A 111 -10.985 -22.460 -19.075 1.00 42.05 H new ATOM 1819 N ALA A 112 -10.715 -19.551 -21.146 1.00 65.11 N ATOM 1820 CA ALA A 112 -10.276 -19.445 -22.548 1.00 43.51 C ATOM 1821 C ALA A 112 -9.526 -18.134 -22.850 1.00 31.53 C ATOM 1822 O ALA A 112 -9.154 -17.878 -23.999 1.00 21.52 O ATOM 1823 CB ALA A 112 -11.478 -19.581 -23.476 1.00 4.40 C ATOM 0 H ALA A 112 -11.611 -19.104 -20.949 1.00 65.11 H new ATOM 0 HA ALA A 112 -9.570 -20.257 -22.721 1.00 43.51 H new ATOM 0 HB1 ALA A 112 -11.149 -19.502 -24.512 1.00 4.40 H new ATOM 0 HB2 ALA A 112 -11.951 -20.550 -23.319 1.00 4.40 H new ATOM 0 HB3 ALA A 112 -12.195 -18.788 -23.262 1.00 4.40 H new ATOM 1829 N GLN A 113 -9.290 -17.314 -21.828 1.00 71.55 N ATOM 1830 CA GLN A 113 -8.629 -16.013 -22.014 1.00 32.14 C ATOM 1831 C GLN A 113 -7.178 -16.041 -21.505 1.00 71.23 C ATOM 1832 O GLN A 113 -6.932 -16.007 -20.300 1.00 41.10 O ATOM 1833 CB GLN A 113 -9.426 -14.914 -21.297 1.00 51.21 C ATOM 1834 CG GLN A 113 -10.868 -14.777 -21.780 1.00 54.24 C ATOM 1835 CD GLN A 113 -10.977 -14.357 -23.237 1.00 10.14 C ATOM 1836 OE1 GLN A 113 -10.126 -13.649 -23.761 1.00 34.31 O ATOM 1837 NE2 GLN A 113 -12.029 -14.794 -23.900 1.00 32.31 N ATOM 0 H GLN A 113 -9.544 -17.522 -20.862 1.00 71.55 H new ATOM 0 HA GLN A 113 -8.600 -15.797 -23.082 1.00 32.14 H new ATOM 0 HB2 GLN A 113 -9.430 -15.122 -20.227 1.00 51.21 H new ATOM 0 HB3 GLN A 113 -8.915 -13.961 -21.434 1.00 51.21 H new ATOM 0 HG2 GLN A 113 -11.381 -15.729 -21.644 1.00 54.24 H new ATOM 0 HG3 GLN A 113 -11.384 -14.045 -21.159 1.00 54.24 H new ATOM 0 HE21 GLN A 113 -12.719 -15.382 -23.432 1.00 32.31 H new ATOM 0 HE22 GLN A 113 -12.154 -14.544 -24.881 1.00 32.31 H new ATOM 1846 N GLU A 114 -6.223 -16.097 -22.431 1.00 14.30 N ATOM 1847 CA GLU A 114 -4.798 -16.197 -22.073 1.00 3.43 C ATOM 1848 C GLU A 114 -4.174 -14.819 -21.765 1.00 4.24 C ATOM 1849 O GLU A 114 -3.370 -14.690 -20.838 1.00 44.01 O ATOM 1850 CB GLU A 114 -4.003 -16.924 -23.180 1.00 61.12 C ATOM 1851 CG GLU A 114 -3.888 -16.179 -24.512 1.00 54.21 C ATOM 1852 CD GLU A 114 -5.225 -15.936 -25.200 1.00 45.14 C ATOM 1853 OE1 GLU A 114 -5.707 -16.830 -25.925 1.00 20.32 O ATOM 1854 OE2 GLU A 114 -5.806 -14.847 -25.011 1.00 2.51 O ATOM 0 H GLU A 114 -6.403 -16.075 -23.435 1.00 14.30 H new ATOM 0 HA GLU A 114 -4.739 -16.787 -21.158 1.00 3.43 H new ATOM 0 HB2 GLU A 114 -2.998 -17.124 -22.808 1.00 61.12 H new ATOM 0 HB3 GLU A 114 -4.473 -17.890 -23.364 1.00 61.12 H new ATOM 0 HG2 GLU A 114 -3.399 -15.220 -24.340 1.00 54.21 H new ATOM 0 HG3 GLU A 114 -3.244 -16.749 -25.182 1.00 54.21 H new ATOM 1861 N LEU A 115 -4.537 -13.794 -22.537 1.00 42.24 N ATOM 1862 CA LEU A 115 -4.049 -12.427 -22.286 1.00 64.41 C ATOM 1863 C LEU A 115 -4.639 -11.842 -20.990 1.00 33.43 C ATOM 1864 O LEU A 115 -3.976 -11.077 -20.286 1.00 33.43 O ATOM 1865 CB LEU A 115 -4.368 -11.500 -23.476 1.00 4.24 C ATOM 1866 CG LEU A 115 -3.309 -11.442 -24.595 1.00 52.31 C ATOM 1867 CD1 LEU A 115 -1.984 -10.903 -24.061 1.00 22.42 C ATOM 1868 CD2 LEU A 115 -3.114 -12.808 -25.244 1.00 32.51 C ATOM 0 H LEU A 115 -5.163 -13.878 -23.338 1.00 42.24 H new ATOM 0 HA LEU A 115 -2.967 -12.489 -22.168 1.00 64.41 H new ATOM 0 HB2 LEU A 115 -5.313 -11.819 -23.915 1.00 4.24 H new ATOM 0 HB3 LEU A 115 -4.518 -10.490 -23.094 1.00 4.24 H new ATOM 0 HG LEU A 115 -3.673 -10.758 -25.361 1.00 52.31 H new ATOM 0 HD11 LEU A 115 -1.252 -10.871 -24.868 1.00 22.42 H new ATOM 0 HD12 LEU A 115 -2.133 -9.898 -23.666 1.00 22.42 H new ATOM 0 HD13 LEU A 115 -1.620 -11.555 -23.267 1.00 22.42 H new ATOM 0 HD21 LEU A 115 -2.361 -12.734 -26.029 1.00 32.51 H new ATOM 0 HD22 LEU A 115 -2.784 -13.525 -24.492 1.00 32.51 H new ATOM 0 HD23 LEU A 115 -4.057 -13.143 -25.676 1.00 32.51 H new ATOM 1880 N ALA A 116 -5.884 -12.208 -20.679 1.00 21.32 N ATOM 1881 CA ALA A 116 -6.553 -11.736 -19.457 1.00 21.34 C ATOM 1882 C ALA A 116 -5.711 -12.003 -18.197 1.00 74.04 C ATOM 1883 O ALA A 116 -5.615 -11.149 -17.314 1.00 24.13 O ATOM 1884 CB ALA A 116 -7.927 -12.383 -19.323 1.00 13.00 C ATOM 0 H ALA A 116 -6.452 -12.830 -21.254 1.00 21.32 H new ATOM 0 HA ALA A 116 -6.671 -10.656 -19.546 1.00 21.34 H new ATOM 0 HB1 ALA A 116 -8.411 -12.025 -18.414 1.00 13.00 H new ATOM 0 HB2 ALA A 116 -8.538 -12.121 -20.187 1.00 13.00 H new ATOM 0 HB3 ALA A 116 -7.816 -13.466 -19.272 1.00 13.00 H new ATOM 1890 N LYS A 117 -5.093 -13.185 -18.128 1.00 44.21 N ATOM 1891 CA LYS A 117 -4.217 -13.548 -16.999 1.00 31.11 C ATOM 1892 C LYS A 117 -3.154 -12.469 -16.732 1.00 61.32 C ATOM 1893 O LYS A 117 -2.828 -12.177 -15.577 1.00 54.20 O ATOM 1894 CB LYS A 117 -3.535 -14.905 -17.268 1.00 74.04 C ATOM 1895 CG LYS A 117 -4.357 -16.132 -16.847 1.00 31.01 C ATOM 1896 CD LYS A 117 -4.009 -16.609 -15.429 1.00 73.23 C ATOM 1897 CE LYS A 117 -4.400 -15.600 -14.350 1.00 72.51 C ATOM 1898 NZ LYS A 117 -3.813 -15.949 -13.029 1.00 44.24 N ATOM 0 H LYS A 117 -5.180 -13.911 -18.839 1.00 44.21 H new ATOM 0 HA LYS A 117 -4.842 -13.627 -16.110 1.00 31.11 H new ATOM 0 HB2 LYS A 117 -3.315 -14.980 -18.333 1.00 74.04 H new ATOM 0 HB3 LYS A 117 -2.580 -14.927 -16.743 1.00 74.04 H new ATOM 0 HG2 LYS A 117 -5.419 -15.889 -16.896 1.00 31.01 H new ATOM 0 HG3 LYS A 117 -4.182 -16.943 -17.554 1.00 31.01 H new ATOM 0 HD2 LYS A 117 -4.514 -17.555 -15.235 1.00 73.23 H new ATOM 0 HD3 LYS A 117 -2.938 -16.802 -15.368 1.00 73.23 H new ATOM 0 HE2 LYS A 117 -4.066 -14.605 -14.645 1.00 72.51 H new ATOM 0 HE3 LYS A 117 -5.486 -15.560 -14.266 1.00 72.51 H new ATOM 0 HZ1 LYS A 117 -4.101 -15.241 -12.323 1.00 44.24 H new ATOM 0 HZ2 LYS A 117 -4.151 -16.888 -12.736 1.00 44.24 H new ATOM 0 HZ3 LYS A 117 -2.776 -15.962 -13.103 1.00 44.24 H new ATOM 1912 N ALA A 118 -2.625 -11.878 -17.799 1.00 4.42 N ATOM 1913 CA ALA A 118 -1.602 -10.834 -17.682 1.00 43.34 C ATOM 1914 C ALA A 118 -2.230 -9.450 -17.455 1.00 23.20 C ATOM 1915 O ALA A 118 -1.982 -8.804 -16.439 1.00 72.40 O ATOM 1916 CB ALA A 118 -0.725 -10.819 -18.931 1.00 53.21 C ATOM 0 H ALA A 118 -2.886 -12.102 -18.759 1.00 4.42 H new ATOM 0 HA ALA A 118 -0.986 -11.064 -16.813 1.00 43.34 H new ATOM 0 HB1 ALA A 118 0.032 -10.040 -18.835 1.00 53.21 H new ATOM 0 HB2 ALA A 118 -0.237 -11.787 -19.045 1.00 53.21 H new ATOM 0 HB3 ALA A 118 -1.342 -10.619 -19.807 1.00 53.21 H new ATOM 1922 N ALA A 119 -3.059 -9.016 -18.404 1.00 5.32 N ATOM 1923 CA ALA A 119 -3.647 -7.669 -18.385 1.00 60.52 C ATOM 1924 C ALA A 119 -4.463 -7.387 -17.110 1.00 72.13 C ATOM 1925 O ALA A 119 -4.223 -6.395 -16.416 1.00 35.44 O ATOM 1926 CB ALA A 119 -4.517 -7.472 -19.619 1.00 22.24 C ATOM 0 H ALA A 119 -3.343 -9.581 -19.204 1.00 5.32 H new ATOM 0 HA ALA A 119 -2.821 -6.958 -18.391 1.00 60.52 H new ATOM 0 HB1 ALA A 119 -4.952 -6.473 -19.602 1.00 22.24 H new ATOM 0 HB2 ALA A 119 -3.908 -7.588 -20.516 1.00 22.24 H new ATOM 0 HB3 ALA A 119 -5.315 -8.214 -19.624 1.00 22.24 H new ATOM 1932 N GLU A 120 -5.425 -8.257 -16.808 1.00 12.11 N ATOM 1933 CA GLU A 120 -6.322 -8.051 -15.662 1.00 41.12 C ATOM 1934 C GLU A 120 -5.543 -7.920 -14.342 1.00 1.31 C ATOM 1935 O GLU A 120 -5.699 -6.939 -13.611 1.00 52.22 O ATOM 1936 CB GLU A 120 -7.337 -9.203 -15.556 1.00 41.13 C ATOM 1937 CG GLU A 120 -8.204 -9.395 -16.800 1.00 12.41 C ATOM 1938 CD GLU A 120 -9.057 -8.179 -17.131 1.00 33.23 C ATOM 1939 OE1 GLU A 120 -10.056 -7.932 -16.417 1.00 53.21 O ATOM 1940 OE2 GLU A 120 -8.741 -7.468 -18.109 1.00 33.44 O ATOM 0 H GLU A 120 -5.607 -9.110 -17.336 1.00 12.11 H new ATOM 0 HA GLU A 120 -6.854 -7.115 -15.833 1.00 41.12 H new ATOM 0 HB2 GLU A 120 -6.798 -10.129 -15.357 1.00 41.13 H new ATOM 0 HB3 GLU A 120 -7.986 -9.022 -14.700 1.00 41.13 H new ATOM 0 HG2 GLU A 120 -7.562 -9.622 -17.651 1.00 12.41 H new ATOM 0 HG3 GLU A 120 -8.854 -10.257 -16.652 1.00 12.41 H new ATOM 1947 N GLU A 121 -4.691 -8.903 -14.049 1.00 33.31 N ATOM 1948 CA GLU A 121 -3.935 -8.916 -12.790 1.00 22.33 C ATOM 1949 C GLU A 121 -2.943 -7.738 -12.718 1.00 14.12 C ATOM 1950 O GLU A 121 -2.769 -7.125 -11.662 1.00 25.33 O ATOM 1951 CB GLU A 121 -3.199 -10.254 -12.626 1.00 14.41 C ATOM 1952 CG GLU A 121 -2.671 -10.497 -11.215 1.00 30.14 C ATOM 1953 CD GLU A 121 -2.034 -11.870 -11.052 1.00 50.44 C ATOM 1954 OE1 GLU A 121 -2.749 -12.881 -11.207 1.00 3.43 O ATOM 1955 OE2 GLU A 121 -0.817 -11.946 -10.780 1.00 34.03 O ATOM 0 H GLU A 121 -4.506 -9.698 -14.661 1.00 33.31 H new ATOM 0 HA GLU A 121 -4.644 -8.801 -11.970 1.00 22.33 H new ATOM 0 HB2 GLU A 121 -3.875 -11.065 -12.896 1.00 14.41 H new ATOM 0 HB3 GLU A 121 -2.365 -10.288 -13.327 1.00 14.41 H new ATOM 0 HG2 GLU A 121 -1.937 -9.729 -10.969 1.00 30.14 H new ATOM 0 HG3 GLU A 121 -3.490 -10.394 -10.503 1.00 30.14 H new ATOM 1962 N GLU A 122 -2.308 -7.428 -13.853 1.00 15.32 N ATOM 1963 CA GLU A 122 -1.434 -6.249 -13.976 1.00 23.54 C ATOM 1964 C GLU A 122 -2.143 -4.987 -13.460 1.00 75.11 C ATOM 1965 O GLU A 122 -1.613 -4.247 -12.625 1.00 1.51 O ATOM 1966 CB GLU A 122 -1.037 -6.061 -15.453 1.00 45.10 C ATOM 1967 CG GLU A 122 -0.273 -4.771 -15.764 1.00 34.12 C ATOM 1968 CD GLU A 122 1.132 -4.743 -15.186 1.00 23.11 C ATOM 1969 OE1 GLU A 122 1.996 -5.510 -15.673 1.00 14.45 O ATOM 1970 OE2 GLU A 122 1.385 -3.947 -14.260 1.00 31.30 O ATOM 0 H GLU A 122 -2.382 -7.980 -14.708 1.00 15.32 H new ATOM 0 HA GLU A 122 -0.541 -6.409 -13.372 1.00 23.54 H new ATOM 0 HB2 GLU A 122 -0.425 -6.909 -15.759 1.00 45.10 H new ATOM 0 HB3 GLU A 122 -1.941 -6.084 -16.061 1.00 45.10 H new ATOM 0 HG2 GLU A 122 -0.215 -4.644 -16.845 1.00 34.12 H new ATOM 0 HG3 GLU A 122 -0.835 -3.922 -15.373 1.00 34.12 H new ATOM 1977 N MET A 123 -3.357 -4.760 -13.958 1.00 52.33 N ATOM 1978 CA MET A 123 -4.152 -3.594 -13.567 1.00 11.40 C ATOM 1979 C MET A 123 -4.574 -3.669 -12.090 1.00 53.22 C ATOM 1980 O MET A 123 -4.686 -2.645 -11.419 1.00 61.35 O ATOM 1981 CB MET A 123 -5.385 -3.473 -14.474 1.00 45.12 C ATOM 1982 CG MET A 123 -5.036 -3.376 -15.955 1.00 50.13 C ATOM 1983 SD MET A 123 -6.490 -3.271 -17.019 1.00 62.41 S ATOM 1984 CE MET A 123 -5.721 -3.310 -18.639 1.00 61.51 C ATOM 0 H MET A 123 -3.814 -5.370 -14.636 1.00 52.33 H new ATOM 0 HA MET A 123 -3.532 -2.705 -13.686 1.00 11.40 H new ATOM 0 HB2 MET A 123 -6.030 -4.337 -14.316 1.00 45.12 H new ATOM 0 HB3 MET A 123 -5.956 -2.591 -14.184 1.00 45.12 H new ATOM 0 HG2 MET A 123 -4.410 -2.499 -16.118 1.00 50.13 H new ATOM 0 HG3 MET A 123 -4.446 -4.247 -16.241 1.00 50.13 H new ATOM 0 HE1 MET A 123 -6.491 -3.253 -19.409 1.00 61.51 H new ATOM 0 HE2 MET A 123 -5.043 -2.463 -18.740 1.00 61.51 H new ATOM 0 HE3 MET A 123 -5.161 -4.238 -18.754 1.00 61.51 H new ATOM 1994 N LEU A 124 -4.794 -4.884 -11.581 1.00 44.40 N ATOM 1995 CA LEU A 124 -5.197 -5.069 -10.180 1.00 13.02 C ATOM 1996 C LEU A 124 -4.053 -4.760 -9.201 1.00 42.02 C ATOM 1997 O LEU A 124 -4.293 -4.256 -8.103 1.00 15.40 O ATOM 1998 CB LEU A 124 -5.728 -6.490 -9.944 1.00 50.23 C ATOM 1999 CG LEU A 124 -7.020 -6.845 -10.703 1.00 63.33 C ATOM 2000 CD1 LEU A 124 -7.562 -8.191 -10.237 1.00 2.01 C ATOM 2001 CD2 LEU A 124 -8.075 -5.750 -10.535 1.00 3.05 C ATOM 0 H LEU A 124 -4.701 -5.750 -12.112 1.00 44.40 H new ATOM 0 HA LEU A 124 -5.998 -4.356 -9.986 1.00 13.02 H new ATOM 0 HB2 LEU A 124 -4.953 -7.202 -10.228 1.00 50.23 H new ATOM 0 HB3 LEU A 124 -5.906 -6.621 -8.877 1.00 50.23 H new ATOM 0 HG LEU A 124 -6.779 -6.919 -11.764 1.00 63.33 H new ATOM 0 HD11 LEU A 124 -8.475 -8.425 -10.784 1.00 2.01 H new ATOM 0 HD12 LEU A 124 -6.819 -8.966 -10.423 1.00 2.01 H new ATOM 0 HD13 LEU A 124 -7.780 -8.146 -9.170 1.00 2.01 H new ATOM 0 HD21 LEU A 124 -8.977 -6.027 -11.081 1.00 3.05 H new ATOM 0 HD22 LEU A 124 -8.313 -5.633 -9.478 1.00 3.05 H new ATOM 0 HD23 LEU A 124 -7.688 -4.809 -10.926 1.00 3.05 H new ATOM 2013 N TYR A 125 -2.811 -5.059 -9.586 1.00 43.23 N ATOM 2014 CA TYR A 125 -1.650 -4.722 -8.745 1.00 1.41 C ATOM 2015 C TYR A 125 -1.541 -3.206 -8.528 1.00 72.53 C ATOM 2016 O TYR A 125 -1.425 -2.734 -7.394 1.00 50.01 O ATOM 2017 CB TYR A 125 -0.348 -5.261 -9.355 1.00 2.32 C ATOM 2018 CG TYR A 125 -0.121 -6.741 -9.101 1.00 2.31 C ATOM 2019 CD1 TYR A 125 -0.086 -7.236 -7.801 1.00 2.53 C ATOM 2020 CD2 TYR A 125 0.056 -7.639 -10.148 1.00 1.35 C ATOM 2021 CE1 TYR A 125 0.123 -8.579 -7.553 1.00 55.01 C ATOM 2022 CE2 TYR A 125 0.266 -8.984 -9.907 1.00 53.30 C ATOM 2023 CZ TYR A 125 0.296 -9.449 -8.608 1.00 72.44 C ATOM 2024 OH TYR A 125 0.507 -10.790 -8.360 1.00 61.42 O ATOM 0 H TYR A 125 -2.580 -5.528 -10.462 1.00 43.23 H new ATOM 0 HA TYR A 125 -1.803 -5.199 -7.777 1.00 1.41 H new ATOM 0 HB2 TYR A 125 -0.361 -5.084 -10.430 1.00 2.32 H new ATOM 0 HB3 TYR A 125 0.493 -4.699 -8.949 1.00 2.32 H new ATOM 0 HD1 TYR A 125 -0.225 -6.559 -6.971 1.00 2.53 H new ATOM 0 HD2 TYR A 125 0.029 -7.280 -11.166 1.00 1.35 H new ATOM 0 HE1 TYR A 125 0.151 -8.945 -6.537 1.00 55.01 H new ATOM 0 HE2 TYR A 125 0.406 -9.668 -10.731 1.00 53.30 H new ATOM 0 HH TYR A 125 0.271 -10.992 -7.431 1.00 61.42 H new ATOM 2034 N LYS A 126 -1.606 -2.448 -9.619 1.00 61.23 N ATOM 2035 CA LYS A 126 -1.550 -0.981 -9.548 1.00 0.12 C ATOM 2036 C LYS A 126 -2.884 -0.387 -9.061 1.00 63.12 C ATOM 2037 O LYS A 126 -3.046 0.829 -8.993 1.00 62.11 O ATOM 2038 CB LYS A 126 -1.175 -0.406 -10.921 1.00 15.21 C ATOM 2039 CG LYS A 126 -2.165 -0.751 -12.030 1.00 62.12 C ATOM 2040 CD LYS A 126 -1.609 -0.417 -13.411 1.00 12.33 C ATOM 2041 CE LYS A 126 -0.359 -1.232 -13.720 1.00 34.41 C ATOM 2042 NZ LYS A 126 0.238 -0.867 -15.031 1.00 13.54 N ATOM 0 H LYS A 126 -1.697 -2.820 -10.564 1.00 61.23 H new ATOM 0 HA LYS A 126 -0.785 -0.706 -8.822 1.00 0.12 H new ATOM 0 HB2 LYS A 126 -1.099 0.678 -10.841 1.00 15.21 H new ATOM 0 HB3 LYS A 126 -0.188 -0.775 -11.201 1.00 15.21 H new ATOM 0 HG2 LYS A 126 -2.408 -1.813 -11.983 1.00 62.12 H new ATOM 0 HG3 LYS A 126 -3.094 -0.204 -11.870 1.00 62.12 H new ATOM 0 HD2 LYS A 126 -2.369 -0.613 -14.168 1.00 12.33 H new ATOM 0 HD3 LYS A 126 -1.374 0.646 -13.463 1.00 12.33 H new ATOM 0 HE2 LYS A 126 0.378 -1.078 -12.931 1.00 34.41 H new ATOM 0 HE3 LYS A 126 -0.609 -2.293 -13.719 1.00 34.41 H new ATOM 0 HZ1 LYS A 126 1.085 -1.446 -15.200 1.00 13.54 H new ATOM 0 HZ2 LYS A 126 -0.455 -1.038 -15.788 1.00 13.54 H new ATOM 0 HZ3 LYS A 126 0.502 0.139 -15.024 1.00 13.54 H new ATOM 2056 N ASP A 127 -3.837 -1.263 -8.732 1.00 53.42 N ATOM 2057 CA ASP A 127 -5.125 -0.855 -8.160 1.00 62.12 C ATOM 2058 C ASP A 127 -5.148 -1.083 -6.634 1.00 51.01 C ATOM 2059 O ASP A 127 -5.651 -0.251 -5.875 1.00 60.53 O ATOM 2060 CB ASP A 127 -6.259 -1.633 -8.846 1.00 1.30 C ATOM 2061 CG ASP A 127 -7.640 -1.200 -8.389 1.00 54.03 C ATOM 2062 OD1 ASP A 127 -7.988 -0.017 -8.574 1.00 21.01 O ATOM 2063 OD2 ASP A 127 -8.387 -2.041 -7.842 1.00 51.24 O ATOM 0 H ASP A 127 -3.739 -2.271 -8.854 1.00 53.42 H new ATOM 0 HA ASP A 127 -5.268 0.211 -8.335 1.00 62.12 H new ATOM 0 HB2 ASP A 127 -6.182 -1.500 -9.925 1.00 1.30 H new ATOM 0 HB3 ASP A 127 -6.134 -2.697 -8.646 1.00 1.30 H new ATOM 2068 N MET A 128 -4.587 -2.213 -6.186 1.00 55.22 N ATOM 2069 CA MET A 128 -4.509 -2.525 -4.749 1.00 61.34 C ATOM 2070 C MET A 128 -3.494 -1.613 -4.032 1.00 34.42 C ATOM 2071 O MET A 128 -3.789 -1.050 -2.975 1.00 52.02 O ATOM 2072 CB MET A 128 -4.149 -4.008 -4.532 1.00 40.00 C ATOM 2073 CG MET A 128 -2.789 -4.415 -5.095 1.00 64.32 C ATOM 2074 SD MET A 128 -2.382 -6.148 -4.784 1.00 4.45 S ATOM 2075 CE MET A 128 -3.674 -6.976 -5.705 1.00 2.12 C ATOM 0 H MET A 128 -4.181 -2.925 -6.793 1.00 55.22 H new ATOM 0 HA MET A 128 -5.492 -2.339 -4.316 1.00 61.34 H new ATOM 0 HB2 MET A 128 -4.165 -4.221 -3.463 1.00 40.00 H new ATOM 0 HB3 MET A 128 -4.919 -4.627 -4.992 1.00 40.00 H new ATOM 0 HG2 MET A 128 -2.778 -4.233 -6.170 1.00 64.32 H new ATOM 0 HG3 MET A 128 -2.017 -3.782 -4.657 1.00 64.32 H new ATOM 0 HE1 MET A 128 -3.337 -7.974 -5.987 1.00 2.12 H new ATOM 0 HE2 MET A 128 -4.568 -7.056 -5.086 1.00 2.12 H new ATOM 0 HE3 MET A 128 -3.905 -6.403 -6.603 1.00 2.12 H new ATOM 2085 N GLN A 129 -2.303 -1.464 -4.619 1.00 23.30 N ATOM 2086 CA GLN A 129 -1.279 -0.562 -4.077 1.00 3.13 C ATOM 2087 C GLN A 129 -1.774 0.889 -4.115 1.00 31.14 C ATOM 2088 O GLN A 129 -1.576 1.651 -3.169 1.00 71.21 O ATOM 2089 CB GLN A 129 0.039 -0.729 -4.865 1.00 60.11 C ATOM 2090 CG GLN A 129 1.109 0.333 -4.578 1.00 61.22 C ATOM 2091 CD GLN A 129 0.966 1.572 -5.451 1.00 4.14 C ATOM 2092 OE1 GLN A 129 0.493 1.498 -6.581 1.00 54.21 O ATOM 2093 NE2 GLN A 129 1.375 2.712 -4.940 1.00 0.51 N ATOM 0 H GLN A 129 -2.023 -1.955 -5.468 1.00 23.30 H new ATOM 0 HA GLN A 129 -1.087 -0.820 -3.036 1.00 3.13 H new ATOM 0 HB2 GLN A 129 0.455 -1.711 -4.642 1.00 60.11 H new ATOM 0 HB3 GLN A 129 -0.189 -0.714 -5.931 1.00 60.11 H new ATOM 0 HG2 GLN A 129 1.051 0.625 -3.530 1.00 61.22 H new ATOM 0 HG3 GLN A 129 2.096 -0.102 -4.733 1.00 61.22 H new ATOM 0 HE21 GLN A 129 1.763 2.738 -3.997 1.00 0.51 H new ATOM 0 HE22 GLN A 129 1.304 3.570 -5.486 1.00 0.51 H new ATOM 2102 N LYS A 130 -2.421 1.251 -5.222 1.00 71.41 N ATOM 2103 CA LYS A 130 -3.055 2.567 -5.385 1.00 71.34 C ATOM 2104 C LYS A 130 -3.931 2.930 -4.174 1.00 21.32 C ATOM 2105 O LYS A 130 -3.756 3.983 -3.563 1.00 72.33 O ATOM 2106 CB LYS A 130 -3.915 2.546 -6.652 1.00 74.23 C ATOM 2107 CG LYS A 130 -4.757 3.796 -6.883 1.00 71.10 C ATOM 2108 CD LYS A 130 -5.768 3.559 -8.001 1.00 71.14 C ATOM 2109 CE LYS A 130 -6.687 4.753 -8.231 1.00 61.32 C ATOM 2110 NZ LYS A 130 -7.791 4.414 -9.167 1.00 24.31 N ATOM 0 H LYS A 130 -2.523 0.643 -6.034 1.00 71.41 H new ATOM 0 HA LYS A 130 -2.271 3.321 -5.464 1.00 71.34 H new ATOM 0 HB2 LYS A 130 -3.262 2.402 -7.513 1.00 74.23 H new ATOM 0 HB3 LYS A 130 -4.579 1.683 -6.608 1.00 74.23 H new ATOM 0 HG2 LYS A 130 -5.278 4.066 -5.964 1.00 71.10 H new ATOM 0 HG3 LYS A 130 -4.110 4.635 -7.141 1.00 71.10 H new ATOM 0 HD2 LYS A 130 -5.235 3.334 -8.925 1.00 71.14 H new ATOM 0 HD3 LYS A 130 -6.371 2.684 -7.759 1.00 71.14 H new ATOM 0 HE2 LYS A 130 -7.103 5.083 -7.279 1.00 61.32 H new ATOM 0 HE3 LYS A 130 -6.110 5.586 -8.632 1.00 61.32 H new ATOM 0 HZ1 LYS A 130 -8.399 5.247 -9.303 1.00 24.31 H new ATOM 0 HZ2 LYS A 130 -7.393 4.123 -10.083 1.00 24.31 H new ATOM 0 HZ3 LYS A 130 -8.355 3.635 -8.771 1.00 24.31 H new ATOM 2124 N ASP A 131 -4.869 2.049 -3.839 1.00 55.41 N ATOM 2125 CA ASP A 131 -5.772 2.270 -2.704 1.00 13.25 C ATOM 2126 C ASP A 131 -4.986 2.362 -1.383 1.00 54.21 C ATOM 2127 O ASP A 131 -5.033 3.377 -0.685 1.00 3.25 O ATOM 2128 CB ASP A 131 -6.803 1.132 -2.634 1.00 70.43 C ATOM 2129 CG ASP A 131 -7.947 1.430 -1.675 1.00 73.42 C ATOM 2130 OD1 ASP A 131 -7.797 1.186 -0.463 1.00 40.31 O ATOM 2131 OD2 ASP A 131 -9.008 1.902 -2.140 1.00 20.21 O ATOM 0 H ASP A 131 -5.027 1.172 -4.336 1.00 55.41 H new ATOM 0 HA ASP A 131 -6.291 3.217 -2.852 1.00 13.25 H new ATOM 0 HB2 ASP A 131 -7.208 0.953 -3.630 1.00 70.43 H new ATOM 0 HB3 ASP A 131 -6.304 0.214 -2.323 1.00 70.43 H new ATOM 2136 N ALA A 132 -4.232 1.306 -1.073 1.00 10.24 N ATOM 2137 CA ALA A 132 -3.497 1.204 0.195 1.00 42.53 C ATOM 2138 C ALA A 132 -2.594 2.420 0.471 1.00 23.10 C ATOM 2139 O ALA A 132 -2.581 2.952 1.585 1.00 4.43 O ATOM 2140 CB ALA A 132 -2.670 -0.078 0.215 1.00 65.43 C ATOM 0 H ALA A 132 -4.112 0.501 -1.687 1.00 10.24 H new ATOM 0 HA ALA A 132 -4.242 1.181 0.990 1.00 42.53 H new ATOM 0 HB1 ALA A 132 -2.128 -0.147 1.158 1.00 65.43 H new ATOM 0 HB2 ALA A 132 -3.331 -0.939 0.113 1.00 65.43 H new ATOM 0 HB3 ALA A 132 -1.960 -0.066 -0.612 1.00 65.43 H new ATOM 2146 N VAL A 133 -1.844 2.864 -0.536 1.00 43.51 N ATOM 2147 CA VAL A 133 -0.899 3.969 -0.349 1.00 24.31 C ATOM 2148 C VAL A 133 -1.620 5.297 -0.048 1.00 1.11 C ATOM 2149 O VAL A 133 -1.155 6.090 0.775 1.00 3.23 O ATOM 2150 CB VAL A 133 0.041 4.140 -1.574 1.00 52.15 C ATOM 2151 CG1 VAL A 133 -0.719 4.627 -2.807 1.00 63.14 C ATOM 2152 CG2 VAL A 133 1.196 5.078 -1.242 1.00 61.13 C ATOM 0 H VAL A 133 -1.869 2.482 -1.481 1.00 43.51 H new ATOM 0 HA VAL A 133 -0.290 3.707 0.516 1.00 24.31 H new ATOM 0 HB VAL A 133 0.452 3.159 -1.812 1.00 52.15 H new ATOM 0 HG11 VAL A 133 -0.027 4.734 -3.642 1.00 63.14 H new ATOM 0 HG12 VAL A 133 -1.492 3.904 -3.067 1.00 63.14 H new ATOM 0 HG13 VAL A 133 -1.181 5.591 -2.593 1.00 63.14 H new ATOM 0 HG21 VAL A 133 1.841 5.183 -2.114 1.00 61.13 H new ATOM 0 HG22 VAL A 133 0.802 6.055 -0.962 1.00 61.13 H new ATOM 0 HG23 VAL A 133 1.771 4.667 -0.412 1.00 61.13 H new ATOM 2162 N GLN A 134 -2.765 5.527 -0.698 1.00 71.03 N ATOM 2163 CA GLN A 134 -3.557 6.738 -0.450 1.00 3.21 C ATOM 2164 C GLN A 134 -4.226 6.675 0.932 1.00 72.44 C ATOM 2165 O GLN A 134 -4.419 7.696 1.592 1.00 2.50 O ATOM 2166 CB GLN A 134 -4.623 6.928 -1.542 1.00 11.41 C ATOM 2167 CG GLN A 134 -4.067 6.934 -2.966 1.00 64.01 C ATOM 2168 CD GLN A 134 -3.006 8.000 -3.212 1.00 75.31 C ATOM 2169 OE1 GLN A 134 -3.015 9.065 -2.607 1.00 20.34 O ATOM 2170 NE2 GLN A 134 -2.084 7.716 -4.113 1.00 32.10 N ATOM 0 H GLN A 134 -3.163 4.897 -1.395 1.00 71.03 H new ATOM 0 HA GLN A 134 -2.880 7.592 -0.473 1.00 3.21 H new ATOM 0 HB2 GLN A 134 -5.362 6.131 -1.456 1.00 11.41 H new ATOM 0 HB3 GLN A 134 -5.146 7.868 -1.364 1.00 11.41 H new ATOM 0 HG2 GLN A 134 -3.641 5.955 -3.183 1.00 64.01 H new ATOM 0 HG3 GLN A 134 -4.889 7.086 -3.666 1.00 64.01 H new ATOM 0 HE21 GLN A 134 -2.105 6.820 -4.599 1.00 32.10 H new ATOM 0 HE22 GLN A 134 -1.351 8.393 -4.323 1.00 32.10 H new ATOM 2179 N GLN A 135 -4.575 5.465 1.361 1.00 41.01 N ATOM 2180 CA GLN A 135 -5.123 5.237 2.703 1.00 61.13 C ATOM 2181 C GLN A 135 -4.103 5.628 3.788 1.00 60.12 C ATOM 2182 O GLN A 135 -4.434 6.341 4.738 1.00 13.24 O ATOM 2183 CB GLN A 135 -5.529 3.765 2.857 1.00 31.03 C ATOM 2184 CG GLN A 135 -6.634 3.324 1.901 1.00 24.24 C ATOM 2185 CD GLN A 135 -8.016 3.773 2.338 1.00 31.30 C ATOM 2186 OE1 GLN A 135 -8.454 4.880 2.042 1.00 70.41 O ATOM 2187 NE2 GLN A 135 -8.725 2.902 3.029 1.00 30.44 N ATOM 0 H GLN A 135 -4.489 4.619 0.797 1.00 41.01 H new ATOM 0 HA GLN A 135 -6.005 5.865 2.828 1.00 61.13 H new ATOM 0 HB2 GLN A 135 -4.652 3.138 2.697 1.00 31.03 H new ATOM 0 HB3 GLN A 135 -5.860 3.595 3.882 1.00 31.03 H new ATOM 0 HG2 GLN A 135 -6.427 3.722 0.908 1.00 24.24 H new ATOM 0 HG3 GLN A 135 -6.621 2.237 1.818 1.00 24.24 H new ATOM 0 HE21 GLN A 135 -8.330 1.990 3.258 1.00 30.44 H new ATOM 0 HE22 GLN A 135 -9.669 3.140 3.334 1.00 30.44 H new ATOM 2196 N ILE A 136 -2.861 5.159 3.634 1.00 22.40 N ATOM 2197 CA ILE A 136 -1.757 5.568 4.520 1.00 70.14 C ATOM 2198 C ILE A 136 -1.597 7.093 4.505 1.00 11.43 C ATOM 2199 O ILE A 136 -1.582 7.746 5.550 1.00 63.24 O ATOM 2200 CB ILE A 136 -0.406 4.933 4.082 1.00 32.12 C ATOM 2201 CG1 ILE A 136 -0.488 3.401 4.112 1.00 64.44 C ATOM 2202 CG2 ILE A 136 0.742 5.428 4.967 1.00 64.44 C ATOM 2203 CD1 ILE A 136 0.772 2.707 3.624 1.00 53.44 C ATOM 0 H ILE A 136 -2.591 4.497 2.907 1.00 22.40 H new ATOM 0 HA ILE A 136 -2.008 5.221 5.522 1.00 70.14 H new ATOM 0 HB ILE A 136 -0.205 5.244 3.057 1.00 32.12 H new ATOM 0 HG12 ILE A 136 -0.697 3.078 5.132 1.00 64.44 H new ATOM 0 HG13 ILE A 136 -1.329 3.080 3.497 1.00 64.44 H new ATOM 0 HG21 ILE A 136 1.676 4.970 4.641 1.00 64.44 H new ATOM 0 HG22 ILE A 136 0.822 6.512 4.887 1.00 64.44 H new ATOM 0 HG23 ILE A 136 0.546 5.155 6.004 1.00 64.44 H new ATOM 0 HD11 ILE A 136 0.636 1.627 3.676 1.00 53.44 H new ATOM 0 HD12 ILE A 136 0.972 2.999 2.593 1.00 53.44 H new ATOM 0 HD13 ILE A 136 1.614 2.997 4.253 1.00 53.44 H new ATOM 2215 N LEU A 137 -1.493 7.637 3.295 1.00 42.24 N ATOM 2216 CA LEU A 137 -1.343 9.079 3.074 1.00 74.32 C ATOM 2217 C LEU A 137 -2.424 9.891 3.811 1.00 33.53 C ATOM 2218 O LEU A 137 -2.126 10.869 4.504 1.00 31.31 O ATOM 2219 CB LEU A 137 -1.422 9.361 1.569 1.00 54.45 C ATOM 2220 CG LEU A 137 -1.194 10.819 1.164 1.00 40.41 C ATOM 2221 CD1 LEU A 137 0.236 11.239 1.479 1.00 31.42 C ATOM 2222 CD2 LEU A 137 -1.515 11.019 -0.316 1.00 53.40 C ATOM 0 H LEU A 137 -1.510 7.090 2.434 1.00 42.24 H new ATOM 0 HA LEU A 137 -0.376 9.386 3.472 1.00 74.32 H new ATOM 0 HB2 LEU A 137 -0.684 8.740 1.061 1.00 54.45 H new ATOM 0 HB3 LEU A 137 -2.403 9.050 1.209 1.00 54.45 H new ATOM 0 HG LEU A 137 -1.867 11.453 1.741 1.00 40.41 H new ATOM 0 HD11 LEU A 137 0.383 12.278 1.185 1.00 31.42 H new ATOM 0 HD12 LEU A 137 0.419 11.135 2.549 1.00 31.42 H new ATOM 0 HD13 LEU A 137 0.931 10.605 0.929 1.00 31.42 H new ATOM 0 HD21 LEU A 137 -1.347 12.061 -0.587 1.00 53.40 H new ATOM 0 HD22 LEU A 137 -0.870 10.379 -0.918 1.00 53.40 H new ATOM 0 HD23 LEU A 137 -2.557 10.759 -0.501 1.00 53.40 H new ATOM 2234 N ARG A 138 -3.673 9.473 3.646 1.00 71.40 N ATOM 2235 CA ARG A 138 -4.820 10.141 4.267 1.00 54.45 C ATOM 2236 C ARG A 138 -4.707 10.158 5.802 1.00 71.42 C ATOM 2237 O ARG A 138 -4.981 11.174 6.441 1.00 43.14 O ATOM 2238 CB ARG A 138 -6.110 9.434 3.829 1.00 21.31 C ATOM 2239 CG ARG A 138 -7.398 10.089 4.323 1.00 42.33 C ATOM 2240 CD ARG A 138 -8.626 9.379 3.761 1.00 61.21 C ATOM 2241 NE ARG A 138 -9.878 9.983 4.215 1.00 13.54 N ATOM 2242 CZ ARG A 138 -10.962 10.045 3.487 1.00 10.41 C ATOM 2243 NH1 ARG A 138 -10.956 9.639 2.258 1.00 42.33 N ATOM 2244 NH2 ARG A 138 -12.049 10.531 3.986 1.00 12.32 N ATOM 0 H ARG A 138 -3.924 8.663 3.079 1.00 71.40 H new ATOM 0 HA ARG A 138 -4.838 11.180 3.937 1.00 54.45 H new ATOM 0 HB2 ARG A 138 -6.134 9.394 2.740 1.00 21.31 H new ATOM 0 HB3 ARG A 138 -6.083 8.404 4.186 1.00 21.31 H new ATOM 0 HG2 ARG A 138 -7.427 10.065 5.412 1.00 42.33 H new ATOM 0 HG3 ARG A 138 -7.413 11.138 4.027 1.00 42.33 H new ATOM 0 HD2 ARG A 138 -8.589 9.403 2.672 1.00 61.21 H new ATOM 0 HD3 ARG A 138 -8.603 8.331 4.058 1.00 61.21 H new ATOM 0 HE ARG A 138 -9.907 10.379 5.155 1.00 13.54 H new ATOM 0 HH11 ARG A 138 -10.100 9.266 1.848 1.00 42.33 H new ATOM 0 HH12 ARG A 138 -11.808 9.692 1.699 1.00 42.33 H new ATOM 0 HH21 ARG A 138 -12.062 10.867 4.949 1.00 12.32 H new ATOM 0 HH22 ARG A 138 -12.894 10.579 3.417 1.00 12.32 H new ATOM 2258 N GLN A 139 -4.298 9.033 6.383 1.00 45.52 N ATOM 2259 CA GLN A 139 -4.121 8.931 7.838 1.00 21.45 C ATOM 2260 C GLN A 139 -2.986 9.839 8.342 1.00 25.25 C ATOM 2261 O GLN A 139 -3.141 10.550 9.333 1.00 42.05 O ATOM 2262 CB GLN A 139 -3.843 7.476 8.234 1.00 44.32 C ATOM 2263 CG GLN A 139 -5.010 6.524 7.974 1.00 24.54 C ATOM 2264 CD GLN A 139 -6.231 6.835 8.823 1.00 32.35 C ATOM 2265 OE1 GLN A 139 -7.106 7.596 8.428 1.00 14.11 O ATOM 2266 NE2 GLN A 139 -6.299 6.245 10.000 1.00 2.15 N ATOM 0 H GLN A 139 -4.082 8.177 5.873 1.00 45.52 H new ATOM 0 HA GLN A 139 -5.046 9.266 8.307 1.00 21.45 H new ATOM 0 HB2 GLN A 139 -2.970 7.122 7.685 1.00 44.32 H new ATOM 0 HB3 GLN A 139 -3.589 7.441 9.293 1.00 44.32 H new ATOM 0 HG2 GLN A 139 -5.285 6.574 6.920 1.00 24.54 H new ATOM 0 HG3 GLN A 139 -4.688 5.501 8.171 1.00 24.54 H new ATOM 0 HE21 GLN A 139 -5.553 5.617 10.299 1.00 2.15 H new ATOM 0 HE22 GLN A 139 -7.097 6.417 10.611 1.00 2.15 H new ATOM 2275 N VAL A 140 -1.845 9.803 7.652 1.00 54.33 N ATOM 2276 CA VAL A 140 -0.674 10.606 8.038 1.00 52.11 C ATOM 2277 C VAL A 140 -0.955 12.120 7.959 1.00 60.13 C ATOM 2278 O VAL A 140 -0.566 12.885 8.843 1.00 60.03 O ATOM 2279 CB VAL A 140 0.556 10.269 7.149 1.00 74.13 C ATOM 2280 CG1 VAL A 140 1.763 11.131 7.521 1.00 44.33 C ATOM 2281 CG2 VAL A 140 0.904 8.783 7.246 1.00 20.03 C ATOM 0 H VAL A 140 -1.703 9.227 6.822 1.00 54.33 H new ATOM 0 HA VAL A 140 -0.455 10.349 9.074 1.00 52.11 H new ATOM 0 HB VAL A 140 0.291 10.494 6.116 1.00 74.13 H new ATOM 0 HG11 VAL A 140 2.607 10.871 6.881 1.00 44.33 H new ATOM 0 HG12 VAL A 140 1.514 12.183 7.384 1.00 44.33 H new ATOM 0 HG13 VAL A 140 2.030 10.954 8.563 1.00 44.33 H new ATOM 0 HG21 VAL A 140 1.768 8.570 6.616 1.00 20.03 H new ATOM 0 HG22 VAL A 140 1.138 8.531 8.280 1.00 20.03 H new ATOM 0 HG23 VAL A 140 0.055 8.188 6.911 1.00 20.03 H new ATOM 2291 N SER A 141 -1.637 12.542 6.895 1.00 14.13 N ATOM 2292 CA SER A 141 -1.939 13.968 6.674 1.00 60.32 C ATOM 2293 C SER A 141 -3.043 14.477 7.618 1.00 13.34 C ATOM 2294 O SER A 141 -2.868 15.488 8.301 1.00 63.21 O ATOM 2295 CB SER A 141 -2.350 14.206 5.212 1.00 32.05 C ATOM 2296 OG SER A 141 -3.476 13.417 4.856 1.00 11.35 O ATOM 0 H SER A 141 -1.994 11.921 6.168 1.00 14.13 H new ATOM 0 HA SER A 141 -1.031 14.529 6.893 1.00 60.32 H new ATOM 0 HB2 SER A 141 -2.582 15.261 5.065 1.00 32.05 H new ATOM 0 HB3 SER A 141 -1.514 13.968 4.554 1.00 32.05 H new ATOM 0 HG SER A 141 -3.188 12.497 4.679 1.00 11.35 H new ATOM 2302 N ALA A 142 -4.172 13.766 7.659 1.00 44.55 N ATOM 2303 CA ALA A 142 -5.323 14.160 8.493 1.00 22.33 C ATOM 2304 C ALA A 142 -4.986 14.176 9.996 1.00 11.43 C ATOM 2305 O ALA A 142 -5.683 14.815 10.786 1.00 74.54 O ATOM 2306 CB ALA A 142 -6.501 13.231 8.226 1.00 45.50 C ATOM 0 H ALA A 142 -4.319 12.910 7.124 1.00 44.55 H new ATOM 0 HA ALA A 142 -5.589 15.180 8.216 1.00 22.33 H new ATOM 0 HB1 ALA A 142 -7.347 13.529 8.846 1.00 45.50 H new ATOM 0 HB2 ALA A 142 -6.782 13.293 7.175 1.00 45.50 H new ATOM 0 HB3 ALA A 142 -6.218 12.206 8.466 1.00 45.50 H new ATOM 2312 N PHE A 143 -3.909 13.487 10.377 1.00 2.41 N ATOM 2313 CA PHE A 143 -3.474 13.393 11.784 1.00 2.23 C ATOM 2314 C PHE A 143 -3.347 14.776 12.460 1.00 24.25 C ATOM 2315 O PHE A 143 -3.384 14.882 13.689 1.00 34.44 O ATOM 2316 CB PHE A 143 -2.131 12.646 11.855 1.00 31.42 C ATOM 2317 CG PHE A 143 -1.584 12.483 13.255 1.00 53.34 C ATOM 2318 CD1 PHE A 143 -2.337 11.862 14.241 1.00 72.22 C ATOM 2319 CD2 PHE A 143 -0.313 12.939 13.581 1.00 4.30 C ATOM 2320 CE1 PHE A 143 -1.836 11.702 15.520 1.00 31.54 C ATOM 2321 CE2 PHE A 143 0.190 12.782 14.859 1.00 14.11 C ATOM 2322 CZ PHE A 143 -0.572 12.162 15.830 1.00 31.40 C ATOM 0 H PHE A 143 -3.311 12.978 9.726 1.00 2.41 H new ATOM 0 HA PHE A 143 -4.241 12.843 12.329 1.00 2.23 H new ATOM 0 HB2 PHE A 143 -2.253 11.659 11.408 1.00 31.42 H new ATOM 0 HB3 PHE A 143 -1.398 13.181 11.251 1.00 31.42 H new ATOM 0 HD1 PHE A 143 -3.327 11.499 14.007 1.00 72.22 H new ATOM 0 HD2 PHE A 143 0.290 13.422 12.826 1.00 4.30 H new ATOM 0 HE1 PHE A 143 -2.434 11.217 16.277 1.00 31.54 H new ATOM 0 HE2 PHE A 143 1.179 13.144 15.098 1.00 14.11 H new ATOM 0 HZ PHE A 143 -0.180 12.038 16.829 1.00 31.40 H new ATOM 2332 N THR A 144 -3.206 15.830 11.659 1.00 74.15 N ATOM 2333 CA THR A 144 -3.061 17.195 12.189 1.00 61.13 C ATOM 2334 C THR A 144 -4.327 17.689 12.918 1.00 70.43 C ATOM 2335 O THR A 144 -4.239 18.365 13.947 1.00 72.14 O ATOM 2336 CB THR A 144 -2.702 18.204 11.069 1.00 52.50 C ATOM 2337 OG1 THR A 144 -2.595 19.531 11.605 1.00 4.41 O ATOM 2338 CG2 THR A 144 -3.740 18.188 9.950 1.00 62.33 C ATOM 0 H THR A 144 -3.188 15.771 10.641 1.00 74.15 H new ATOM 0 HA THR A 144 -2.247 17.143 12.912 1.00 61.13 H new ATOM 0 HB THR A 144 -1.741 17.902 10.652 1.00 52.50 H new ATOM 0 HG1 THR A 144 -2.366 20.157 10.886 1.00 4.41 H new ATOM 0 HG21 THR A 144 -3.457 18.907 9.181 1.00 62.33 H new ATOM 0 HG22 THR A 144 -3.789 17.190 9.513 1.00 62.33 H new ATOM 0 HG23 THR A 144 -4.716 18.455 10.355 1.00 62.33 H new