USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 20 SER OG : rot -15:sc= 0.594! USER MOD Set 1.2: A 22 THR OG1 : rot -40:sc= 0.248 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.241 F(o=-1.1,f=1.1) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -1.47 (180deg=-2.27) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0431 USER MOD Single : A 28 HIS : no HE2:sc= -8.21! C(o=-8.2!,f=-8.3!) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00411) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 71:sc= 1.18 USER MOD Single : A 41 GLN : amide:sc= 0.312 X(o=0.31,f=-0.0081) USER MOD Single : A 46 HIS : no HE2:sc= -2.17 X(o=-2.2,f=-1.9) USER MOD Single : A 49 ASN : amide:sc= -0.451 K(o=-0.45,f=-2.1!) USER MOD Single : A 51 GLN : amide:sc= -0.0309 K(o=-0.031,f=-1.8!) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.0158 (180deg=-0.205) USER MOD Single : A 59 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -2.18! C(o=-5.6!,f=-2.2!) USER MOD Single : A 62 GLN : amide:sc= -5.44! C(o=-5.4!,f=-10!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.0617 K(o=0.062,f=-1.7!) USER MOD Single : A 74 THR OG1 : rot -160:sc= 0.947 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 1.947 -13.242 10.822 1.00 0.00 N ATOM 160 CA LEU A 14 1.871 -12.796 9.436 1.00 0.00 C ATOM 161 C LEU A 14 0.950 -11.587 9.302 1.00 0.00 C ATOM 162 O LEU A 14 1.323 -10.572 8.714 1.00 0.00 O ATOM 163 CB LEU A 14 1.375 -13.932 8.539 1.00 0.00 C ATOM 164 CG LEU A 14 2.333 -15.111 8.359 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.558 -16.386 8.062 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.331 -14.821 7.247 1.00 0.00 C ATOM 0 HA LEU A 14 2.872 -12.503 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.438 -14.310 8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.149 -13.520 7.556 1.00 0.00 H new ATOM 0 HG LEU A 14 2.885 -15.253 9.288 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.255 -17.215 7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.882 -16.602 8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.981 -16.256 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.005 -15.670 7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.796 -14.654 6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.908 -13.931 7.499 1.00 0.00 H new ATOM 178 N ARG A 15 -0.254 -11.705 9.851 1.00 0.00 N ATOM 179 CA ARG A 15 -1.229 -10.622 9.794 1.00 0.00 C ATOM 180 C ARG A 15 -0.715 -9.388 10.530 1.00 0.00 C ATOM 181 O ARG A 15 -1.194 -8.277 10.308 1.00 0.00 O ATOM 182 CB ARG A 15 -2.560 -11.073 10.401 1.00 0.00 C ATOM 183 CG ARG A 15 -2.479 -11.380 11.887 1.00 0.00 C ATOM 184 CD ARG A 15 -3.785 -11.957 12.408 1.00 0.00 C ATOM 185 NE ARG A 15 -4.787 -10.920 12.641 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.668 -9.979 13.571 1.00 0.00 C ATOM 187 NH1 ARG A 15 -3.596 -9.943 14.349 1.00 0.00 N ATOM 188 NH2 ARG A 15 -5.622 -9.069 13.722 1.00 0.00 N ATOM 0 H ARG A 15 -0.578 -12.539 10.340 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.384 -10.361 8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.305 -10.294 10.240 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.908 -11.961 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.669 -12.086 12.070 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.238 -10.469 12.435 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.173 -12.681 11.692 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.598 -12.496 13.337 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.624 -10.918 12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.859 -10.639 14.235 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.508 -9.219 15.062 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.448 -9.092 13.124 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.530 -8.347 14.436 1.00 0.00 H new ATOM 202 N SER A 16 0.263 -9.593 11.406 1.00 0.00 N ATOM 203 CA SER A 16 0.840 -8.498 12.178 1.00 0.00 C ATOM 204 C SER A 16 2.104 -7.969 11.509 1.00 0.00 C ATOM 205 O SER A 16 3.081 -7.632 12.178 1.00 0.00 O ATOM 206 CB SER A 16 1.157 -8.962 13.601 1.00 0.00 C ATOM 207 OG SER A 16 -0.021 -9.062 14.381 1.00 0.00 O ATOM 0 H SER A 16 0.673 -10.507 11.599 1.00 0.00 H new ATOM 0 HA SER A 16 0.109 -7.691 12.221 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.658 -9.930 13.568 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.848 -8.261 14.069 1.00 0.00 H new ATOM 0 HG SER A 16 0.210 -9.362 15.285 1.00 0.00 H new ATOM 213 N PHE A 17 2.078 -7.898 10.182 1.00 0.00 N ATOM 214 CA PHE A 17 3.222 -7.410 9.420 1.00 0.00 C ATOM 215 C PHE A 17 2.956 -6.009 8.876 1.00 0.00 C ATOM 216 O PHE A 17 2.021 -5.798 8.104 1.00 0.00 O ATOM 217 CB PHE A 17 3.538 -8.365 8.267 1.00 0.00 C ATOM 218 CG PHE A 17 4.242 -7.704 7.117 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.527 -6.994 6.166 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.618 -7.793 6.986 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.172 -6.386 5.106 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.268 -7.186 5.928 1.00 0.00 C ATOM 223 CZ PHE A 17 5.545 -6.481 4.987 1.00 0.00 C ATOM 0 H PHE A 17 1.278 -8.172 9.612 1.00 0.00 H new ATOM 0 HA PHE A 17 4.080 -7.363 10.090 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.157 -9.181 8.641 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.609 -8.808 7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.454 -6.915 6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.190 -8.343 7.719 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.603 -5.837 4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.341 -7.263 5.838 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.051 -6.005 4.160 1.00 0.00 H new ATOM 233 N LYS A 18 3.785 -5.056 9.285 1.00 0.00 N ATOM 234 CA LYS A 18 3.642 -3.675 8.840 1.00 0.00 C ATOM 235 C LYS A 18 4.706 -3.324 7.805 1.00 0.00 C ATOM 236 O LYS A 18 5.904 -3.458 8.060 1.00 0.00 O ATOM 237 CB LYS A 18 3.742 -2.719 10.032 1.00 0.00 C ATOM 238 CG LYS A 18 3.305 -1.301 9.714 1.00 0.00 C ATOM 239 CD LYS A 18 3.139 -0.472 10.976 1.00 0.00 C ATOM 240 CE LYS A 18 1.740 -0.610 11.556 1.00 0.00 C ATOM 241 NZ LYS A 18 1.699 -0.250 13.000 1.00 0.00 N ATOM 0 H LYS A 18 4.564 -5.214 9.924 1.00 0.00 H new ATOM 0 HA LYS A 18 2.660 -3.569 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.130 -3.104 10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.772 -2.701 10.387 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.041 -0.830 9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.363 -1.324 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.874 -0.786 11.718 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.339 0.576 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.053 0.030 11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.393 -1.635 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.728 -0.357 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.335 -0.877 13.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.005 0.737 13.121 1.00 0.00 H new ATOM 255 N LEU A 19 4.262 -2.873 6.637 1.00 0.00 N ATOM 256 CA LEU A 19 5.176 -2.500 5.563 1.00 0.00 C ATOM 257 C LEU A 19 5.176 -0.991 5.346 1.00 0.00 C ATOM 258 O LEU A 19 4.185 -0.315 5.621 1.00 0.00 O ATOM 259 CB LEU A 19 4.788 -3.214 4.266 1.00 0.00 C ATOM 260 CG LEU A 19 5.384 -2.641 2.980 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.787 -3.181 2.754 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.489 -2.957 1.791 1.00 0.00 C ATOM 0 H LEU A 19 3.275 -2.757 6.409 1.00 0.00 H new ATOM 0 HA LEU A 19 6.181 -2.806 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.087 -4.259 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.702 -3.199 4.177 1.00 0.00 H new ATOM 0 HG LEU A 19 5.448 -1.558 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.194 -2.762 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.424 -2.902 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.750 -4.267 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.929 -2.542 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.392 -4.038 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.504 -2.519 1.950 1.00 0.00 H new ATOM 274 N SER A 20 6.293 -0.470 4.849 1.00 0.00 N ATOM 275 CA SER A 20 6.423 0.961 4.596 1.00 0.00 C ATOM 276 C SER A 20 6.854 1.221 3.155 1.00 0.00 C ATOM 277 O SER A 20 7.940 0.821 2.738 1.00 0.00 O ATOM 278 CB SER A 20 7.433 1.581 5.562 1.00 0.00 C ATOM 279 OG SER A 20 8.742 1.553 5.019 1.00 0.00 O ATOM 0 H SER A 20 7.121 -1.017 4.613 1.00 0.00 H new ATOM 0 HA SER A 20 5.449 1.423 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.148 2.610 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.417 1.039 6.508 1.00 0.00 H new ATOM 0 HG SER A 20 8.766 0.942 4.253 1.00 0.00 H new ATOM 285 N VAL A 21 5.992 1.895 2.400 1.00 0.00 N ATOM 286 CA VAL A 21 6.283 2.210 1.006 1.00 0.00 C ATOM 287 C VAL A 21 6.776 3.645 0.859 1.00 0.00 C ATOM 288 O VAL A 21 6.173 4.580 1.387 1.00 0.00 O ATOM 289 CB VAL A 21 5.041 2.013 0.116 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.453 1.735 -1.322 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.171 0.888 0.657 1.00 0.00 C ATOM 0 H VAL A 21 5.088 2.233 2.730 1.00 0.00 H new ATOM 0 HA VAL A 21 7.066 1.524 0.683 1.00 0.00 H new ATOM 0 HB VAL A 21 4.456 2.933 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.563 1.599 -1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.031 2.576 -1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.061 0.831 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.298 0.763 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.744 -0.039 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.846 1.133 1.668 1.00 0.00 H new ATOM 301 N THR A 22 7.880 3.814 0.136 1.00 0.00 N ATOM 302 CA THR A 22 8.457 5.135 -0.081 1.00 0.00 C ATOM 303 C THR A 22 7.941 5.755 -1.375 1.00 0.00 C ATOM 304 O THR A 22 8.369 5.382 -2.467 1.00 0.00 O ATOM 305 CB THR A 22 9.995 5.074 -0.132 1.00 0.00 C ATOM 306 OG1 THR A 22 10.490 4.279 0.951 1.00 0.00 O ATOM 307 CG2 THR A 22 10.594 6.470 -0.058 1.00 0.00 C ATOM 0 H THR A 22 8.392 3.052 -0.309 1.00 0.00 H new ATOM 0 HA THR A 22 8.153 5.755 0.762 1.00 0.00 H new ATOM 0 HB THR A 22 10.288 4.620 -1.079 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.973 4.472 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.681 6.402 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.238 7.064 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.292 6.946 0.875 1.00 0.00 H new ATOM 315 N VAL A 23 7.020 6.703 -1.244 1.00 0.00 N ATOM 316 CA VAL A 23 6.446 7.376 -2.403 1.00 0.00 C ATOM 317 C VAL A 23 6.027 8.802 -2.059 1.00 0.00 C ATOM 318 O VAL A 23 5.332 9.034 -1.069 1.00 0.00 O ATOM 319 CB VAL A 23 5.225 6.612 -2.949 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.520 7.428 -4.022 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.647 5.255 -3.493 1.00 0.00 C ATOM 0 H VAL A 23 6.655 7.023 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 23 7.221 7.402 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 23 4.524 6.449 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.660 6.872 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.184 8.374 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.210 7.623 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.773 4.728 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.367 5.394 -4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.104 4.669 -2.695 1.00 0.00 H new ATOM 331 N ASP A 24 6.452 9.752 -2.883 1.00 0.00 N ATOM 332 CA ASP A 24 6.120 11.156 -2.668 1.00 0.00 C ATOM 333 C ASP A 24 4.636 11.320 -2.350 1.00 0.00 C ATOM 334 O ASP A 24 3.778 10.624 -2.893 1.00 0.00 O ATOM 335 CB ASP A 24 6.484 11.983 -3.902 1.00 0.00 C ATOM 336 CG ASP A 24 7.950 11.863 -4.267 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.756 12.671 -3.762 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.292 10.959 -5.060 1.00 0.00 O ATOM 0 H ASP A 24 7.027 9.576 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 24 6.698 11.515 -1.817 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.875 11.659 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.243 13.030 -3.718 1.00 0.00 H new ATOM 343 N PRO A 25 4.325 12.263 -1.448 1.00 0.00 N ATOM 344 CA PRO A 25 2.946 12.541 -1.036 1.00 0.00 C ATOM 345 C PRO A 25 2.131 13.195 -2.146 1.00 0.00 C ATOM 346 O PRO A 25 0.929 13.421 -1.998 1.00 0.00 O ATOM 347 CB PRO A 25 3.114 13.503 0.141 1.00 0.00 C ATOM 348 CG PRO A 25 4.430 14.162 -0.092 1.00 0.00 C ATOM 349 CD PRO A 25 5.297 13.131 -0.761 1.00 0.00 C ATOM 0 HA PRO A 25 2.404 11.629 -0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.306 14.234 0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.101 12.971 1.092 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.318 15.045 -0.721 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.872 14.494 0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.995 13.587 -1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.891 12.574 -0.037 1.00 0.00 H new ATOM 357 N LYS A 26 2.790 13.497 -3.259 1.00 0.00 N ATOM 358 CA LYS A 26 2.127 14.124 -4.397 1.00 0.00 C ATOM 359 C LYS A 26 1.217 13.130 -5.112 1.00 0.00 C ATOM 360 O LYS A 26 0.197 13.511 -5.686 1.00 0.00 O ATOM 361 CB LYS A 26 3.164 14.678 -5.377 1.00 0.00 C ATOM 362 CG LYS A 26 4.068 13.613 -5.972 1.00 0.00 C ATOM 363 CD LYS A 26 4.940 14.177 -7.082 1.00 0.00 C ATOM 364 CE LYS A 26 6.200 13.349 -7.278 1.00 0.00 C ATOM 365 NZ LYS A 26 7.310 13.813 -6.400 1.00 0.00 N ATOM 0 H LYS A 26 3.784 13.318 -3.398 1.00 0.00 H new ATOM 0 HA LYS A 26 1.516 14.945 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.648 15.197 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.778 15.418 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.700 13.193 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.461 12.797 -6.364 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.373 14.204 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.213 15.205 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.983 12.302 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.513 13.406 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.047 13.080 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.716 14.689 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.944 13.994 -5.444 1.00 0.00 H new ATOM 379 N TYR A 27 1.591 11.857 -5.070 1.00 0.00 N ATOM 380 CA TYR A 27 0.810 10.809 -5.715 1.00 0.00 C ATOM 381 C TYR A 27 -0.126 10.134 -4.716 1.00 0.00 C ATOM 382 O TYR A 27 -1.115 9.508 -5.099 1.00 0.00 O ATOM 383 CB TYR A 27 1.736 9.767 -6.346 1.00 0.00 C ATOM 384 CG TYR A 27 2.719 10.351 -7.335 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.311 11.276 -8.288 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.058 9.980 -7.314 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.206 11.811 -9.193 1.00 0.00 C ATOM 388 CE2 TYR A 27 4.961 10.511 -8.214 1.00 0.00 C ATOM 389 CZ TYR A 27 4.530 11.426 -9.152 1.00 0.00 C ATOM 390 OH TYR A 27 5.426 11.959 -10.051 1.00 0.00 O ATOM 0 H TYR A 27 2.431 11.525 -4.596 1.00 0.00 H new ATOM 0 HA TYR A 27 0.207 11.271 -6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.288 9.257 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.131 9.013 -6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.276 11.582 -8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.399 9.264 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.871 12.527 -9.929 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.998 10.212 -8.184 1.00 0.00 H new ATOM 0 HH TYR A 27 6.317 11.584 -9.886 1.00 0.00 H new ATOM 400 N HIS A 28 0.193 10.268 -3.433 1.00 0.00 N ATOM 401 CA HIS A 28 -0.619 9.674 -2.377 1.00 0.00 C ATOM 402 C HIS A 28 -2.104 9.901 -2.641 1.00 0.00 C ATOM 403 O HIS A 28 -2.886 8.959 -2.779 1.00 0.00 O ATOM 404 CB HIS A 28 -0.235 10.260 -1.018 1.00 0.00 C ATOM 405 CG HIS A 28 0.791 9.452 -0.285 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.016 9.571 1.070 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.655 8.507 -0.726 1.00 0.00 C ATOM 408 CE1 HIS A 28 1.973 8.737 1.431 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.378 8.079 0.360 1.00 0.00 N ATOM 0 H HIS A 28 1.008 10.783 -3.099 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.430 8.601 -2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.146 11.271 -1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.130 10.342 -0.401 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.520 10.205 1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.756 8.156 -1.742 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.359 8.614 2.432 1.00 0.00 H new ATOM 417 N PRO A 29 -2.504 11.179 -2.714 1.00 0.00 N ATOM 418 CA PRO A 29 -3.899 11.559 -2.962 1.00 0.00 C ATOM 419 C PRO A 29 -4.343 11.236 -4.384 1.00 0.00 C ATOM 420 O PRO A 29 -5.515 11.388 -4.729 1.00 0.00 O ATOM 421 CB PRO A 29 -3.899 13.071 -2.731 1.00 0.00 C ATOM 422 CG PRO A 29 -2.497 13.497 -2.997 1.00 0.00 C ATOM 423 CD PRO A 29 -1.627 12.351 -2.560 1.00 0.00 C ATOM 0 HA PRO A 29 -4.591 11.016 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.598 13.573 -3.399 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.200 13.315 -1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.350 13.718 -4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.253 14.405 -2.445 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.733 12.267 -3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.293 12.470 -1.529 1.00 0.00 H new ATOM 431 N LYS A 30 -3.400 10.790 -5.207 1.00 0.00 N ATOM 432 CA LYS A 30 -3.694 10.444 -6.592 1.00 0.00 C ATOM 433 C LYS A 30 -3.964 8.949 -6.734 1.00 0.00 C ATOM 434 O LYS A 30 -4.547 8.506 -7.724 1.00 0.00 O ATOM 435 CB LYS A 30 -2.531 10.851 -7.499 1.00 0.00 C ATOM 436 CG LYS A 30 -2.364 12.355 -7.637 1.00 0.00 C ATOM 437 CD LYS A 30 -3.222 12.910 -8.761 1.00 0.00 C ATOM 438 CE LYS A 30 -3.555 14.377 -8.535 1.00 0.00 C ATOM 439 NZ LYS A 30 -2.337 15.233 -8.561 1.00 0.00 N ATOM 0 H LYS A 30 -2.425 10.660 -4.938 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.589 10.987 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.608 10.426 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.684 10.419 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.634 12.840 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.317 12.590 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.698 12.797 -9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.144 12.334 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.252 14.714 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.059 14.491 -7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.610 16.229 -8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.698 14.951 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.851 15.118 -9.473 1.00 0.00 H new ATOM 453 N ILE A 31 -3.539 8.179 -5.739 1.00 0.00 N ATOM 454 CA ILE A 31 -3.738 6.735 -5.753 1.00 0.00 C ATOM 455 C ILE A 31 -5.071 6.357 -5.116 1.00 0.00 C ATOM 456 O ILE A 31 -5.726 5.406 -5.543 1.00 0.00 O ATOM 457 CB ILE A 31 -2.602 6.003 -5.013 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.242 6.446 -5.555 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.767 4.497 -5.147 1.00 0.00 C ATOM 460 CD1 ILE A 31 -0.135 6.392 -4.527 1.00 0.00 C ATOM 0 H ILE A 31 -3.055 8.530 -4.913 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.738 6.427 -6.798 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.652 6.261 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.973 5.812 -6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.325 7.465 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.957 3.994 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.722 4.196 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.740 4.220 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.800 6.720 -4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.382 7.048 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.024 5.370 -4.165 1.00 0.00 H new ATOM 472 N ILE A 32 -5.465 7.109 -4.093 1.00 0.00 N ATOM 473 CA ILE A 32 -6.722 6.854 -3.401 1.00 0.00 C ATOM 474 C ILE A 32 -7.903 6.907 -4.364 1.00 0.00 C ATOM 475 O ILE A 32 -8.745 6.011 -4.379 1.00 0.00 O ATOM 476 CB ILE A 32 -6.954 7.871 -2.266 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.891 7.705 -1.179 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.348 7.702 -1.681 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.760 8.910 -0.273 1.00 0.00 C ATOM 0 H ILE A 32 -4.933 7.898 -3.726 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.650 5.853 -2.975 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.873 8.877 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.134 6.831 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.928 7.509 -1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.497 8.427 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.092 7.864 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.455 6.693 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.988 8.722 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.486 9.783 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.711 9.095 0.227 1.00 0.00 H new ATOM 491 N GLY A 33 -7.956 7.964 -5.170 1.00 0.00 N ATOM 492 CA GLY A 33 -9.035 8.113 -6.128 1.00 0.00 C ATOM 493 C GLY A 33 -9.989 9.230 -5.756 1.00 0.00 C ATOM 494 O GLY A 33 -9.965 9.728 -4.630 1.00 0.00 O ATOM 0 H GLY A 33 -7.271 8.719 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.616 8.310 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.587 7.176 -6.198 1.00 0.00 H new ATOM 498 N ARG A 34 -10.831 9.628 -6.705 1.00 0.00 N ATOM 499 CA ARG A 34 -11.796 10.696 -6.473 1.00 0.00 C ATOM 500 C ARG A 34 -12.315 10.656 -5.038 1.00 0.00 C ATOM 501 O ARG A 34 -12.037 11.551 -4.240 1.00 0.00 O ATOM 502 CB ARG A 34 -12.964 10.579 -7.453 1.00 0.00 C ATOM 503 CG ARG A 34 -13.682 11.895 -7.703 1.00 0.00 C ATOM 504 CD ARG A 34 -13.013 12.693 -8.812 1.00 0.00 C ATOM 505 NE ARG A 34 -13.574 14.036 -8.936 1.00 0.00 N ATOM 506 CZ ARG A 34 -13.393 14.993 -8.033 1.00 0.00 C ATOM 507 NH1 ARG A 34 -12.671 14.757 -6.946 1.00 0.00 N ATOM 508 NH2 ARG A 34 -13.937 16.190 -8.216 1.00 0.00 N ATOM 0 H ARG A 34 -10.864 9.226 -7.642 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.292 11.649 -6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.594 10.191 -8.402 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.679 9.852 -7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -14.721 11.699 -7.970 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -13.694 12.484 -6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.944 12.764 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.127 12.164 -9.758 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.135 14.250 -9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.253 13.838 -6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.534 15.494 -6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.494 16.375 -9.050 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.798 16.925 -7.522 1.00 0.00 H new ATOM 522 N LYS A 35 -13.073 9.614 -4.718 1.00 0.00 N ATOM 523 CA LYS A 35 -13.632 9.455 -3.380 1.00 0.00 C ATOM 524 C LYS A 35 -12.841 8.427 -2.578 1.00 0.00 C ATOM 525 O LYS A 35 -12.711 8.542 -1.360 1.00 0.00 O ATOM 526 CB LYS A 35 -15.100 9.032 -3.466 1.00 0.00 C ATOM 527 CG LYS A 35 -15.892 9.326 -2.203 1.00 0.00 C ATOM 528 CD LYS A 35 -17.373 9.045 -2.395 1.00 0.00 C ATOM 529 CE LYS A 35 -18.069 10.192 -3.112 1.00 0.00 C ATOM 530 NZ LYS A 35 -18.533 11.240 -2.160 1.00 0.00 N ATOM 0 H LYS A 35 -13.315 8.866 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.566 10.416 -2.869 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.569 9.544 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.150 7.964 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.509 8.719 -1.383 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.752 10.369 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.499 8.126 -2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.842 8.882 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.386 10.636 -3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.921 9.807 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.002 12.004 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -19.204 10.823 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.717 11.626 -1.644 1.00 0.00 H new ATOM 544 N GLY A 36 -12.313 7.422 -3.270 1.00 0.00 N ATOM 545 CA GLY A 36 -11.541 6.389 -2.605 1.00 0.00 C ATOM 546 C GLY A 36 -11.954 4.993 -3.028 1.00 0.00 C ATOM 547 O GLY A 36 -11.925 4.060 -2.225 1.00 0.00 O ATOM 0 H GLY A 36 -12.406 7.305 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.483 6.533 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.660 6.489 -1.526 1.00 0.00 H new ATOM 551 N ALA A 37 -12.343 4.849 -4.290 1.00 0.00 N ATOM 552 CA ALA A 37 -12.765 3.557 -4.817 1.00 0.00 C ATOM 553 C ALA A 37 -11.580 2.781 -5.382 1.00 0.00 C ATOM 554 O ALA A 37 -11.455 1.576 -5.167 1.00 0.00 O ATOM 555 CB ALA A 37 -13.833 3.746 -5.885 1.00 0.00 C ATOM 0 H ALA A 37 -12.375 5.611 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.187 2.977 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.139 2.773 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.695 4.252 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.430 4.348 -6.700 1.00 0.00 H new ATOM 561 N VAL A 38 -10.712 3.481 -6.107 1.00 0.00 N ATOM 562 CA VAL A 38 -9.537 2.858 -6.703 1.00 0.00 C ATOM 563 C VAL A 38 -8.759 2.051 -5.670 1.00 0.00 C ATOM 564 O VAL A 38 -8.466 0.873 -5.878 1.00 0.00 O ATOM 565 CB VAL A 38 -8.601 3.908 -7.329 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.368 3.242 -7.919 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.338 4.716 -8.386 1.00 0.00 C ATOM 0 H VAL A 38 -10.801 4.480 -6.295 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.896 2.190 -7.486 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.274 4.591 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.719 4.001 -8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.829 2.713 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.671 2.534 -8.691 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.661 5.453 -8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.696 4.049 -9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.186 5.226 -7.929 1.00 0.00 H new ATOM 577 N ILE A 39 -8.427 2.693 -4.554 1.00 0.00 N ATOM 578 CA ILE A 39 -7.684 2.035 -3.487 1.00 0.00 C ATOM 579 C ILE A 39 -8.487 0.888 -2.884 1.00 0.00 C ATOM 580 O ILE A 39 -7.958 -0.200 -2.647 1.00 0.00 O ATOM 581 CB ILE A 39 -7.307 3.025 -2.370 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.344 2.367 -1.378 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.556 3.519 -1.655 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.923 2.271 -1.888 1.00 0.00 C ATOM 0 H ILE A 39 -8.661 3.668 -4.366 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.772 1.641 -3.935 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.806 3.883 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.350 2.935 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.705 1.366 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.272 4.218 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.209 4.021 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.083 2.672 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.297 1.795 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.904 1.678 -2.802 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.543 3.271 -2.096 1.00 0.00 H new ATOM 596 N THR A 40 -9.770 1.136 -2.640 1.00 0.00 N ATOM 597 CA THR A 40 -10.648 0.124 -2.065 1.00 0.00 C ATOM 598 C THR A 40 -10.544 -1.192 -2.829 1.00 0.00 C ATOM 599 O THR A 40 -10.535 -2.267 -2.231 1.00 0.00 O ATOM 600 CB THR A 40 -12.117 0.590 -2.064 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.245 1.803 -1.314 1.00 0.00 O ATOM 602 CG2 THR A 40 -13.023 -0.479 -1.470 1.00 0.00 C ATOM 0 H THR A 40 -10.224 2.029 -2.832 1.00 0.00 H new ATOM 0 HA THR A 40 -10.323 -0.030 -1.036 1.00 0.00 H new ATOM 0 HB THR A 40 -12.420 0.768 -3.096 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.829 2.539 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.055 -0.128 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.945 -1.392 -2.061 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.719 -0.684 -0.443 1.00 0.00 H new ATOM 610 N GLN A 41 -10.468 -1.097 -4.153 1.00 0.00 N ATOM 611 CA GLN A 41 -10.365 -2.282 -4.998 1.00 0.00 C ATOM 612 C GLN A 41 -9.038 -2.999 -4.769 1.00 0.00 C ATOM 613 O GLN A 41 -8.985 -4.230 -4.741 1.00 0.00 O ATOM 614 CB GLN A 41 -10.503 -1.896 -6.472 1.00 0.00 C ATOM 615 CG GLN A 41 -10.242 -3.048 -7.429 1.00 0.00 C ATOM 616 CD GLN A 41 -11.246 -4.173 -7.274 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.385 -4.072 -7.730 1.00 0.00 O ATOM 618 NE2 GLN A 41 -10.827 -5.255 -6.629 1.00 0.00 N ATOM 0 H GLN A 41 -10.476 -0.214 -4.663 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.175 -2.961 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.508 -1.511 -6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.808 -1.086 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.272 -2.678 -8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.238 -3.436 -7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.874 -5.296 -6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.458 -6.045 -6.495 1.00 0.00 H new ATOM 627 N ILE A 42 -7.972 -2.224 -4.608 1.00 0.00 N ATOM 628 CA ILE A 42 -6.646 -2.786 -4.383 1.00 0.00 C ATOM 629 C ILE A 42 -6.577 -3.510 -3.042 1.00 0.00 C ATOM 630 O ILE A 42 -6.035 -4.611 -2.946 1.00 0.00 O ATOM 631 CB ILE A 42 -5.558 -1.697 -4.421 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.528 -1.025 -5.795 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.199 -2.293 -4.087 1.00 0.00 C ATOM 634 CD1 ILE A 42 -5.009 0.396 -5.762 1.00 0.00 C ATOM 0 H ILE A 42 -8.000 -1.205 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.464 -3.497 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.795 -0.941 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.904 -1.616 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.535 -1.026 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.441 -1.510 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.229 -2.730 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.952 -3.066 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.016 0.809 -6.771 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.646 1.001 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.990 0.402 -5.374 1.00 0.00 H new ATOM 646 N ARG A 43 -7.131 -2.884 -2.008 1.00 0.00 N ATOM 647 CA ARG A 43 -7.134 -3.468 -0.673 1.00 0.00 C ATOM 648 C ARG A 43 -7.757 -4.861 -0.690 1.00 0.00 C ATOM 649 O ARG A 43 -7.161 -5.826 -0.208 1.00 0.00 O ATOM 650 CB ARG A 43 -7.898 -2.568 0.300 1.00 0.00 C ATOM 651 CG ARG A 43 -7.185 -1.261 0.608 1.00 0.00 C ATOM 652 CD ARG A 43 -8.141 -0.227 1.180 1.00 0.00 C ATOM 653 NE ARG A 43 -7.448 0.990 1.594 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.054 2.161 1.757 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.357 2.273 1.546 1.00 0.00 N ATOM 656 NH2 ARG A 43 -7.354 3.224 2.134 1.00 0.00 N ATOM 0 H ARG A 43 -7.584 -1.972 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.100 -3.555 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.880 -2.347 -0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.062 -3.111 1.231 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.378 -1.444 1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.728 -0.872 -0.302 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.895 0.022 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.667 -0.653 2.034 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.444 0.938 1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.899 1.458 1.257 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.819 3.174 1.672 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.351 3.142 2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.819 4.123 2.259 1.00 0.00 H new ATOM 670 N LEU A 44 -8.959 -4.959 -1.247 1.00 0.00 N ATOM 671 CA LEU A 44 -9.664 -6.233 -1.326 1.00 0.00 C ATOM 672 C LEU A 44 -8.911 -7.218 -2.215 1.00 0.00 C ATOM 673 O LEU A 44 -8.821 -8.404 -1.905 1.00 0.00 O ATOM 674 CB LEU A 44 -11.080 -6.023 -1.864 1.00 0.00 C ATOM 675 CG LEU A 44 -12.083 -5.404 -0.890 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.369 -5.031 -1.613 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.372 -6.361 0.257 1.00 0.00 C ATOM 0 H LEU A 44 -9.466 -4.171 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.722 -6.650 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.021 -5.386 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.469 -6.987 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.646 -4.495 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.071 -4.592 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.148 -4.309 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.810 -5.924 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.088 -5.904 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.788 -7.288 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.447 -6.578 0.792 1.00 0.00 H new ATOM 689 N GLU A 45 -8.371 -6.715 -3.321 1.00 0.00 N ATOM 690 CA GLU A 45 -7.624 -7.550 -4.254 1.00 0.00 C ATOM 691 C GLU A 45 -6.573 -8.379 -3.521 1.00 0.00 C ATOM 692 O GLU A 45 -6.498 -9.596 -3.688 1.00 0.00 O ATOM 693 CB GLU A 45 -6.953 -6.685 -5.323 1.00 0.00 C ATOM 694 CG GLU A 45 -6.322 -7.488 -6.448 1.00 0.00 C ATOM 695 CD GLU A 45 -7.351 -8.190 -7.313 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.345 -7.539 -7.698 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.161 -9.389 -7.608 1.00 0.00 O ATOM 0 H GLU A 45 -8.437 -5.734 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.327 -8.230 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.693 -6.004 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.186 -6.070 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.722 -6.824 -7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.643 -8.228 -6.024 1.00 0.00 H new ATOM 704 N HIS A 46 -5.762 -7.709 -2.708 1.00 0.00 N ATOM 705 CA HIS A 46 -4.714 -8.383 -1.949 1.00 0.00 C ATOM 706 C HIS A 46 -5.173 -8.665 -0.521 1.00 0.00 C ATOM 707 O HIS A 46 -4.397 -9.138 0.309 1.00 0.00 O ATOM 708 CB HIS A 46 -3.443 -7.534 -1.929 1.00 0.00 C ATOM 709 CG HIS A 46 -3.129 -6.895 -3.247 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.560 -7.582 -4.299 1.00 0.00 N ATOM 711 CD2 HIS A 46 -3.308 -5.626 -3.682 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.402 -6.763 -5.324 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.849 -5.569 -4.975 1.00 0.00 N ATOM 0 H HIS A 46 -5.810 -6.701 -2.558 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.500 -9.333 -2.438 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.548 -6.756 -1.173 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.603 -8.160 -1.628 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -2.301 -8.569 -4.288 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.733 -4.810 -3.117 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.980 -7.025 -6.283 1.00 0.00 H new ATOM 721 N ASP A 47 -6.438 -8.370 -0.243 1.00 0.00 N ATOM 722 CA ASP A 47 -7.001 -8.592 1.083 1.00 0.00 C ATOM 723 C ASP A 47 -6.099 -8.000 2.162 1.00 0.00 C ATOM 724 O ASP A 47 -5.833 -8.638 3.182 1.00 0.00 O ATOM 725 CB ASP A 47 -7.201 -10.088 1.333 1.00 0.00 C ATOM 726 CG ASP A 47 -8.436 -10.630 0.639 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.311 -9.820 0.266 1.00 0.00 O ATOM 728 OD2 ASP A 47 -8.527 -11.863 0.469 1.00 0.00 O ATOM 0 H ASP A 47 -7.093 -7.976 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.969 -8.092 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.323 -10.632 0.985 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.282 -10.267 2.405 1.00 0.00 H new ATOM 733 N VAL A 48 -5.631 -6.778 1.931 1.00 0.00 N ATOM 734 CA VAL A 48 -4.759 -6.101 2.882 1.00 0.00 C ATOM 735 C VAL A 48 -5.308 -4.727 3.248 1.00 0.00 C ATOM 736 O VAL A 48 -6.218 -4.217 2.597 1.00 0.00 O ATOM 737 CB VAL A 48 -3.334 -5.939 2.321 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.713 -7.298 2.039 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.351 -5.080 1.065 1.00 0.00 C ATOM 0 H VAL A 48 -5.842 -6.236 1.093 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.721 -6.724 3.775 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.722 -5.436 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.706 -7.163 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.665 -7.875 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.321 -7.832 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.336 -4.976 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.978 -5.553 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.752 -4.095 1.303 1.00 0.00 H new ATOM 749 N ASN A 49 -4.748 -4.131 4.297 1.00 0.00 N ATOM 750 CA ASN A 49 -5.182 -2.816 4.752 1.00 0.00 C ATOM 751 C ASN A 49 -4.154 -1.749 4.386 1.00 0.00 C ATOM 752 O ASN A 49 -3.016 -1.782 4.855 1.00 0.00 O ATOM 753 CB ASN A 49 -5.408 -2.825 6.264 1.00 0.00 C ATOM 754 CG ASN A 49 -5.897 -1.486 6.784 1.00 0.00 C ATOM 755 OD1 ASN A 49 -5.187 -0.483 6.710 1.00 0.00 O ATOM 756 ND2 ASN A 49 -7.114 -1.465 7.313 1.00 0.00 N ATOM 0 H ASN A 49 -3.992 -4.539 4.847 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.122 -2.578 4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.135 -3.597 6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.477 -3.089 6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.496 -0.593 7.679 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.667 -2.321 7.353 1.00 0.00 H new ATOM 763 N ILE A 50 -4.564 -0.802 3.549 1.00 0.00 N ATOM 764 CA ILE A 50 -3.680 0.275 3.122 1.00 0.00 C ATOM 765 C ILE A 50 -4.121 1.612 3.709 1.00 0.00 C ATOM 766 O ILE A 50 -5.273 2.018 3.558 1.00 0.00 O ATOM 767 CB ILE A 50 -3.634 0.392 1.588 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.170 -0.927 0.968 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.716 1.531 1.170 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.680 -1.147 -0.439 1.00 0.00 C ATOM 0 H ILE A 50 -5.503 -0.759 3.153 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.683 0.029 3.489 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.639 0.609 1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.080 -0.951 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.501 -1.752 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.694 1.600 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.086 2.468 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.709 1.342 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.311 -2.101 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.770 -1.156 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.327 -0.342 -1.084 1.00 0.00 H new ATOM 782 N GLN A 51 -3.195 2.291 4.379 1.00 0.00 N ATOM 783 CA GLN A 51 -3.488 3.584 4.988 1.00 0.00 C ATOM 784 C GLN A 51 -2.385 4.592 4.682 1.00 0.00 C ATOM 785 O GLN A 51 -1.203 4.316 4.886 1.00 0.00 O ATOM 786 CB GLN A 51 -3.652 3.432 6.502 1.00 0.00 C ATOM 787 CG GLN A 51 -4.439 4.563 7.145 1.00 0.00 C ATOM 788 CD GLN A 51 -4.973 4.198 8.515 1.00 0.00 C ATOM 789 OE1 GLN A 51 -4.897 3.043 8.936 1.00 0.00 O ATOM 790 NE2 GLN A 51 -5.516 5.182 9.221 1.00 0.00 N ATOM 0 H GLN A 51 -2.237 1.968 4.514 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.421 3.955 4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.153 2.487 6.712 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.665 3.379 6.963 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.800 5.442 7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.271 4.836 6.496 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.558 6.125 8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.891 4.996 10.151 1.00 0.00 H new ATOM 799 N PHE A 52 -2.781 5.762 4.192 1.00 0.00 N ATOM 800 CA PHE A 52 -1.826 6.812 3.856 1.00 0.00 C ATOM 801 C PHE A 52 -1.696 7.815 5.000 1.00 0.00 C ATOM 802 O PHE A 52 -2.623 8.027 5.781 1.00 0.00 O ATOM 803 CB PHE A 52 -2.256 7.533 2.577 1.00 0.00 C ATOM 804 CG PHE A 52 -2.420 6.616 1.399 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.538 5.805 1.286 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.457 6.565 0.404 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.690 4.959 0.203 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.604 5.722 -0.681 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.723 4.919 -0.782 1.00 0.00 C ATOM 0 H PHE A 52 -3.756 6.007 4.019 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.854 6.346 3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.199 8.049 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.517 8.296 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.299 5.834 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.581 7.192 0.477 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.565 4.330 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.845 5.691 -1.449 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.842 4.261 -1.630 1.00 0.00 H new ATOM 819 N PRO A 53 -0.518 8.448 5.099 1.00 0.00 N ATOM 820 CA PRO A 53 -0.238 9.438 6.143 1.00 0.00 C ATOM 821 C PRO A 53 -1.025 10.729 5.943 1.00 0.00 C ATOM 822 O PRO A 53 -1.587 10.965 4.874 1.00 0.00 O ATOM 823 CB PRO A 53 1.263 9.699 5.992 1.00 0.00 C ATOM 824 CG PRO A 53 1.563 9.367 4.571 1.00 0.00 C ATOM 825 CD PRO A 53 0.632 8.246 4.202 1.00 0.00 C ATOM 0 HA PRO A 53 -0.525 9.080 7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.509 10.737 6.217 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.844 9.079 6.675 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.407 10.232 3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.604 9.065 4.452 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.338 8.297 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.095 7.272 4.356 1.00 0.00 H new ATOM 833 N ASP A 54 -1.061 11.561 6.979 1.00 0.00 N ATOM 834 CA ASP A 54 -1.779 12.829 6.915 1.00 0.00 C ATOM 835 C ASP A 54 -0.815 14.005 7.039 1.00 0.00 C ATOM 836 O ASP A 54 0.108 13.982 7.853 1.00 0.00 O ATOM 837 CB ASP A 54 -2.832 12.899 8.022 1.00 0.00 C ATOM 838 CG ASP A 54 -4.028 13.745 7.632 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.658 13.440 6.597 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.332 14.712 8.359 1.00 0.00 O ATOM 0 H ASP A 54 -0.602 11.380 7.872 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.276 12.889 5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.168 11.891 8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.379 13.310 8.924 1.00 0.00 H new ATOM 845 N LYS A 55 -1.036 15.031 6.225 1.00 0.00 N ATOM 846 CA LYS A 55 -0.188 16.218 6.242 1.00 0.00 C ATOM 847 C LYS A 55 -0.407 17.025 7.517 1.00 0.00 C ATOM 848 O LYS A 55 0.530 17.609 8.062 1.00 0.00 O ATOM 849 CB LYS A 55 -0.472 17.091 5.018 1.00 0.00 C ATOM 850 CG LYS A 55 -1.875 17.674 4.999 1.00 0.00 C ATOM 851 CD LYS A 55 -1.925 19.027 5.691 1.00 0.00 C ATOM 852 CE LYS A 55 -1.348 20.124 4.812 1.00 0.00 C ATOM 853 NZ LYS A 55 -2.228 20.425 3.648 1.00 0.00 N ATOM 0 H LYS A 55 -1.795 15.065 5.545 1.00 0.00 H new ATOM 0 HA LYS A 55 0.851 15.891 6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.251 17.906 4.988 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.322 16.498 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.213 17.779 3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.563 16.986 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.957 19.269 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.368 18.979 6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.208 21.028 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.364 19.822 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.953 21.338 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.128 19.675 2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.218 20.472 3.964 1.00 0.00 H new ATOM 867 N ASP A 56 -1.649 17.052 7.988 1.00 0.00 N ATOM 868 CA ASP A 56 -1.990 17.786 9.202 1.00 0.00 C ATOM 869 C ASP A 56 -1.129 17.328 10.374 1.00 0.00 C ATOM 870 O ASP A 56 -0.642 18.145 11.156 1.00 0.00 O ATOM 871 CB ASP A 56 -3.471 17.599 9.537 1.00 0.00 C ATOM 872 CG ASP A 56 -4.379 18.014 8.396 1.00 0.00 C ATOM 873 OD1 ASP A 56 -4.593 17.194 7.479 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.877 19.159 8.420 1.00 0.00 O ATOM 0 H ASP A 56 -2.436 16.575 7.548 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.796 18.844 9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.656 16.553 9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.717 18.183 10.424 1.00 0.00 H new ATOM 879 N ASP A 57 -0.946 16.017 10.491 1.00 0.00 N ATOM 880 CA ASP A 57 -0.144 15.449 11.568 1.00 0.00 C ATOM 881 C ASP A 57 1.270 16.022 11.553 1.00 0.00 C ATOM 882 O ASP A 57 1.702 16.662 12.510 1.00 0.00 O ATOM 883 CB ASP A 57 -0.092 13.926 11.446 1.00 0.00 C ATOM 884 CG ASP A 57 0.062 13.242 12.791 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.073 13.504 13.478 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.829 12.448 13.157 1.00 0.00 O ATOM 0 H ASP A 57 -1.343 15.328 9.853 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.614 15.713 12.515 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.003 13.572 10.964 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.740 13.644 10.801 1.00 0.00 H new ATOM 891 N GLY A 58 1.987 15.786 10.458 1.00 0.00 N ATOM 892 CA GLY A 58 3.345 16.284 10.338 1.00 0.00 C ATOM 893 C GLY A 58 4.365 15.329 10.923 1.00 0.00 C ATOM 894 O GLY A 58 5.141 14.715 10.192 1.00 0.00 O ATOM 0 H GLY A 58 1.651 15.259 9.652 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.574 16.456 9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.422 17.247 10.843 1.00 0.00 H new ATOM 898 N ASN A 59 4.367 15.205 12.246 1.00 0.00 N ATOM 899 CA ASN A 59 5.303 14.319 12.929 1.00 0.00 C ATOM 900 C ASN A 59 5.488 13.019 12.152 1.00 0.00 C ATOM 901 O ASN A 59 6.569 12.429 12.160 1.00 0.00 O ATOM 902 CB ASN A 59 4.808 14.013 14.345 1.00 0.00 C ATOM 903 CG ASN A 59 5.254 15.057 15.351 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.953 16.319 15.066 1.00 0.00 O flip ATOM 905 ND2 ASN A 59 5.860 14.731 16.372 1.00 0.00 N flip ATOM 0 H ASN A 59 3.731 15.706 12.866 1.00 0.00 H new ATOM 0 HA ASN A 59 6.266 14.826 12.989 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.719 13.957 14.342 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.177 13.035 14.653 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.069 13.749 16.549 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.153 15.443 17.041 1.00 0.00 H new ATOM 912 N GLN A 60 4.428 12.580 11.483 1.00 0.00 N ATOM 913 CA GLN A 60 4.474 11.351 10.700 1.00 0.00 C ATOM 914 C GLN A 60 4.881 11.638 9.259 1.00 0.00 C ATOM 915 O GLN A 60 4.641 12.720 8.725 1.00 0.00 O ATOM 916 CB GLN A 60 3.113 10.651 10.729 1.00 0.00 C ATOM 917 CG GLN A 60 2.598 10.381 12.133 1.00 0.00 C ATOM 918 CD GLN A 60 1.121 10.043 12.158 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.311 10.878 11.518 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 0.711 9.042 12.746 1.00 0.00 N flip ATOM 0 H GLN A 60 3.526 13.057 11.467 1.00 0.00 H new ATOM 0 HA GLN A 60 5.222 10.695 11.145 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.387 11.265 10.196 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.188 9.706 10.191 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.163 9.558 12.571 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.777 11.257 12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.369 8.427 13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.286 8.828 12.754 1.00 0.00 H new ATOM 929 N PRO A 61 5.511 10.645 8.612 1.00 0.00 N ATOM 930 CA PRO A 61 5.964 10.767 7.224 1.00 0.00 C ATOM 931 C PRO A 61 4.803 10.805 6.236 1.00 0.00 C ATOM 932 O PRO A 61 3.887 9.988 6.311 1.00 0.00 O ATOM 933 CB PRO A 61 6.805 9.506 7.013 1.00 0.00 C ATOM 934 CG PRO A 61 6.268 8.523 7.995 1.00 0.00 C ATOM 935 CD PRO A 61 5.829 9.328 9.188 1.00 0.00 C ATOM 0 HA PRO A 61 6.511 11.694 7.054 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.714 9.136 5.992 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.863 9.702 7.187 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.433 7.965 7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.029 7.795 8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.962 8.883 9.676 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.617 9.397 9.938 1.00 0.00 H new ATOM 943 N GLN A 62 4.849 11.759 5.312 1.00 0.00 N ATOM 944 CA GLN A 62 3.800 11.903 4.309 1.00 0.00 C ATOM 945 C GLN A 62 4.150 11.131 3.041 1.00 0.00 C ATOM 946 O GLN A 62 3.292 10.897 2.189 1.00 0.00 O ATOM 947 CB GLN A 62 3.580 13.379 3.979 1.00 0.00 C ATOM 948 CG GLN A 62 3.267 14.235 5.196 1.00 0.00 C ATOM 949 CD GLN A 62 2.276 13.576 6.135 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.295 12.973 5.697 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.526 13.688 7.434 1.00 0.00 N ATOM 0 H GLN A 62 5.601 12.444 5.237 1.00 0.00 H new ATOM 0 HA GLN A 62 2.879 11.490 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.472 13.770 3.490 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.761 13.465 3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.191 14.443 5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.867 15.194 4.867 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.351 14.197 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.893 13.265 8.113 1.00 0.00 H new ATOM 960 N ASP A 63 5.415 10.742 2.922 1.00 0.00 N ATOM 961 CA ASP A 63 5.879 9.997 1.757 1.00 0.00 C ATOM 962 C ASP A 63 5.869 8.497 2.033 1.00 0.00 C ATOM 963 O ASP A 63 5.958 7.687 1.111 1.00 0.00 O ATOM 964 CB ASP A 63 7.287 10.448 1.364 1.00 0.00 C ATOM 965 CG ASP A 63 8.366 9.670 2.090 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.663 8.532 1.669 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.915 10.199 3.079 1.00 0.00 O ATOM 0 H ASP A 63 6.137 10.930 3.618 1.00 0.00 H new ATOM 0 HA ASP A 63 5.198 10.200 0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.417 10.328 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.400 11.510 1.582 1.00 0.00 H new ATOM 972 N GLN A 64 5.764 8.135 3.307 1.00 0.00 N ATOM 973 CA GLN A 64 5.745 6.732 3.703 1.00 0.00 C ATOM 974 C GLN A 64 4.313 6.222 3.834 1.00 0.00 C ATOM 975 O GLN A 64 3.466 6.873 4.444 1.00 0.00 O ATOM 976 CB GLN A 64 6.489 6.545 5.027 1.00 0.00 C ATOM 977 CG GLN A 64 7.990 6.760 4.918 1.00 0.00 C ATOM 978 CD GLN A 64 8.734 5.498 4.529 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.615 5.105 3.266 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.408 4.882 5.355 1.00 0.00 N flip ATOM 0 H GLN A 64 5.691 8.793 4.083 1.00 0.00 H new ATOM 0 HA GLN A 64 6.247 6.154 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.084 7.239 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.301 5.539 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.189 7.537 4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.371 7.122 5.873 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.472 5.220 6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.903 4.034 5.079 1.00 0.00 H new ATOM 989 N ILE A 65 4.052 5.054 3.256 1.00 0.00 N ATOM 990 CA ILE A 65 2.724 4.457 3.309 1.00 0.00 C ATOM 991 C ILE A 65 2.707 3.233 4.219 1.00 0.00 C ATOM 992 O ILE A 65 3.562 2.353 4.111 1.00 0.00 O ATOM 993 CB ILE A 65 2.235 4.048 1.907 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.385 5.214 0.930 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.787 3.582 1.966 1.00 0.00 C ATOM 996 CD1 ILE A 65 1.924 4.891 -0.474 1.00 0.00 C ATOM 0 H ILE A 65 4.743 4.503 2.746 1.00 0.00 H new ATOM 0 HA ILE A 65 2.053 5.215 3.712 1.00 0.00 H new ATOM 0 HB ILE A 65 2.849 3.220 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.816 6.065 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.431 5.519 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.456 3.296 0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.708 2.724 2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.159 4.391 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.060 5.765 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.510 4.060 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.870 4.615 -0.456 1.00 0.00 H new ATOM 1008 N THR A 66 1.726 3.182 5.115 1.00 0.00 N ATOM 1009 CA THR A 66 1.596 2.066 6.043 1.00 0.00 C ATOM 1010 C THR A 66 0.614 1.026 5.518 1.00 0.00 C ATOM 1011 O THR A 66 -0.527 1.348 5.184 1.00 0.00 O ATOM 1012 CB THR A 66 1.129 2.542 7.431 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.596 3.873 7.676 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.638 1.612 8.523 1.00 0.00 C ATOM 0 H THR A 66 1.010 3.901 5.217 1.00 0.00 H new ATOM 0 HA THR A 66 2.584 1.615 6.135 1.00 0.00 H new ATOM 0 HB THR A 66 0.039 2.531 7.445 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.293 4.168 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.295 1.969 9.494 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.256 0.606 8.351 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.728 1.594 8.507 1.00 0.00 H new ATOM 1022 N ILE A 67 1.063 -0.223 5.448 1.00 0.00 N ATOM 1023 CA ILE A 67 0.222 -1.311 4.965 1.00 0.00 C ATOM 1024 C ILE A 67 0.311 -2.524 5.884 1.00 0.00 C ATOM 1025 O ILE A 67 1.403 -2.988 6.216 1.00 0.00 O ATOM 1026 CB ILE A 67 0.614 -1.733 3.537 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.534 -0.537 2.587 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.286 -2.861 3.053 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.265 -0.753 1.280 1.00 0.00 C ATOM 0 H ILE A 67 2.004 -0.506 5.720 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.802 -0.939 4.957 1.00 0.00 H new ATOM 0 HB ILE A 67 1.643 -2.094 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.513 -0.320 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.948 0.340 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.003 -3.149 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.184 -3.719 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.323 -2.524 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.166 0.135 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.320 -0.940 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.837 -1.610 0.761 1.00 0.00 H new ATOM 1041 N THR A 68 -0.846 -3.038 6.293 1.00 0.00 N ATOM 1042 CA THR A 68 -0.899 -4.197 7.173 1.00 0.00 C ATOM 1043 C THR A 68 -1.444 -5.418 6.441 1.00 0.00 C ATOM 1044 O THR A 68 -2.218 -5.291 5.493 1.00 0.00 O ATOM 1045 CB THR A 68 -1.773 -3.922 8.411 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.443 -2.646 8.971 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.581 -5.006 9.460 1.00 0.00 C ATOM 0 H THR A 68 -1.759 -2.668 6.028 1.00 0.00 H new ATOM 0 HA THR A 68 0.123 -4.396 7.496 1.00 0.00 H new ATOM 0 HB THR A 68 -2.817 -3.922 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.004 -2.478 9.757 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.208 -4.790 10.325 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.861 -5.972 9.040 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.536 -5.034 9.768 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.036 -6.602 6.889 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.495 -7.829 6.264 1.00 0.00 C ATOM 1057 C GLY A 69 -0.392 -8.860 6.132 1.00 0.00 C ATOM 1058 O GLY A 69 0.700 -8.685 6.675 1.00 0.00 O ATOM 0 H GLY A 69 -0.397 -6.733 7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.312 -8.249 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.896 -7.602 5.276 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.675 -9.938 5.411 1.00 0.00 N ATOM 1063 CA TYR A 70 0.301 -11.003 5.213 1.00 0.00 C ATOM 1064 C TYR A 70 1.551 -10.474 4.514 1.00 0.00 C ATOM 1065 O TYR A 70 1.472 -9.903 3.428 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.313 -12.139 4.392 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.172 -13.079 5.207 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -2.392 -12.660 5.727 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.766 -14.383 5.457 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -3.180 -13.515 6.472 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -1.549 -15.245 6.201 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.755 -14.806 6.706 1.00 0.00 C ATOM 1073 OH TYR A 70 -3.537 -15.661 7.449 1.00 0.00 O ATOM 0 H TYR A 70 -1.572 -10.098 4.954 1.00 0.00 H new ATOM 0 HA TYR A 70 0.588 -11.385 6.193 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.916 -11.712 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.487 -12.709 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.728 -11.650 5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.178 -14.730 5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.125 -13.174 6.870 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -1.219 -16.256 6.386 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.094 -16.532 7.519 1.00 0.00 H new ATOM 1083 N GLU A 71 2.702 -10.670 5.149 1.00 0.00 N ATOM 1084 CA GLU A 71 3.969 -10.214 4.589 1.00 0.00 C ATOM 1085 C GLU A 71 3.994 -10.399 3.076 1.00 0.00 C ATOM 1086 O GLU A 71 4.656 -9.651 2.356 1.00 0.00 O ATOM 1087 CB GLU A 71 5.136 -10.970 5.227 1.00 0.00 C ATOM 1088 CG GLU A 71 6.434 -10.859 4.444 1.00 0.00 C ATOM 1089 CD GLU A 71 7.553 -11.683 5.050 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.289 -12.836 5.450 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.691 -11.175 5.123 1.00 0.00 O ATOM 0 H GLU A 71 2.783 -11.141 6.050 1.00 0.00 H new ATOM 0 HA GLU A 71 4.072 -9.151 4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.296 -10.589 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.868 -12.022 5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.264 -11.184 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.740 -9.814 4.401 1.00 0.00 H new ATOM 1098 N LYS A 72 3.267 -11.404 2.596 1.00 0.00 N ATOM 1099 CA LYS A 72 3.204 -11.690 1.168 1.00 0.00 C ATOM 1100 C LYS A 72 2.169 -10.806 0.481 1.00 0.00 C ATOM 1101 O LYS A 72 2.504 -10.003 -0.389 1.00 0.00 O ATOM 1102 CB LYS A 72 2.864 -13.164 0.938 1.00 0.00 C ATOM 1103 CG LYS A 72 3.986 -14.114 1.318 1.00 0.00 C ATOM 1104 CD LYS A 72 5.105 -14.096 0.289 1.00 0.00 C ATOM 1105 CE LYS A 72 6.439 -14.480 0.909 1.00 0.00 C ATOM 1106 NZ LYS A 72 7.573 -14.250 -0.027 1.00 0.00 N ATOM 0 H LYS A 72 2.713 -12.034 3.176 1.00 0.00 H new ATOM 0 HA LYS A 72 4.182 -11.476 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.974 -13.417 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.615 -13.311 -0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.384 -13.837 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.592 -15.126 1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.867 -14.786 -0.521 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.180 -13.102 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.596 -13.901 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.415 -15.530 1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.464 -14.524 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.436 -14.822 -0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.612 -13.243 -0.285 1.00 0.00 H new ATOM 1120 N ASN A 73 0.910 -10.956 0.880 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.174 -10.170 0.302 1.00 0.00 C ATOM 1122 C ASN A 73 0.196 -8.690 0.250 1.00 0.00 C ATOM 1123 O ASN A 73 -0.077 -8.004 -0.737 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.457 -10.358 1.115 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.074 -11.729 0.912 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.387 -12.683 0.546 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.376 -11.832 1.150 1.00 0.00 N ATOM 0 H ASN A 73 0.615 -11.614 1.601 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.342 -10.521 -0.716 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.238 -10.214 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.179 -9.592 0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.847 -12.729 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.906 -11.014 1.452 1.00 0.00 H new ATOM 1134 N THR A 74 0.818 -8.204 1.319 1.00 0.00 N ATOM 1135 CA THR A 74 1.224 -6.806 1.395 1.00 0.00 C ATOM 1136 C THR A 74 2.015 -6.395 0.158 1.00 0.00 C ATOM 1137 O THR A 74 1.596 -5.515 -0.593 1.00 0.00 O ATOM 1138 CB THR A 74 2.078 -6.537 2.649 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.221 -7.401 2.658 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.262 -6.753 3.915 1.00 0.00 C ATOM 0 H THR A 74 1.052 -8.757 2.144 1.00 0.00 H new ATOM 0 HA THR A 74 0.311 -6.214 1.452 1.00 0.00 H new ATOM 0 HB THR A 74 2.409 -5.499 2.621 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.579 -7.460 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.885 -6.557 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.409 -6.074 3.919 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.906 -7.783 3.947 1.00 0.00 H new ATOM 1148 N GLU A 75 3.161 -7.037 -0.046 1.00 0.00 N ATOM 1149 CA GLU A 75 4.010 -6.737 -1.193 1.00 0.00 C ATOM 1150 C GLU A 75 3.174 -6.553 -2.456 1.00 0.00 C ATOM 1151 O GLU A 75 3.207 -5.497 -3.086 1.00 0.00 O ATOM 1152 CB GLU A 75 5.034 -7.853 -1.404 1.00 0.00 C ATOM 1153 CG GLU A 75 5.871 -8.154 -0.172 1.00 0.00 C ATOM 1154 CD GLU A 75 7.258 -8.659 -0.517 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.907 -8.052 -1.395 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.694 -9.660 0.088 1.00 0.00 O ATOM 0 H GLU A 75 3.523 -7.767 0.567 1.00 0.00 H new ATOM 0 HA GLU A 75 4.537 -5.805 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.512 -8.760 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.697 -7.576 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.957 -7.251 0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.359 -8.899 0.437 1.00 0.00 H new ATOM 1163 N ALA A 76 2.425 -7.589 -2.818 1.00 0.00 N ATOM 1164 CA ALA A 76 1.578 -7.543 -4.004 1.00 0.00 C ATOM 1165 C ALA A 76 0.773 -6.248 -4.054 1.00 0.00 C ATOM 1166 O ALA A 76 0.488 -5.723 -5.130 1.00 0.00 O ATOM 1167 CB ALA A 76 0.648 -8.746 -4.037 1.00 0.00 C ATOM 0 H ALA A 76 2.387 -8.471 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 76 2.224 -7.573 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.022 -8.698 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.239 -9.662 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.016 -8.742 -3.149 1.00 0.00 H new ATOM 1173 N ALA A 77 0.409 -5.738 -2.882 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.361 -4.504 -2.792 1.00 0.00 C ATOM 1175 C ALA A 77 0.543 -3.282 -2.918 1.00 0.00 C ATOM 1176 O ALA A 77 0.215 -2.326 -3.622 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.134 -4.459 -1.482 1.00 0.00 C ATOM 0 H ALA A 77 0.635 -6.161 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.070 -4.485 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.705 -3.532 -1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.816 -5.308 -1.432 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.436 -4.505 -0.646 1.00 0.00 H new ATOM 1183 N ARG A 78 1.679 -3.319 -2.231 1.00 0.00 N ATOM 1184 CA ARG A 78 2.628 -2.213 -2.264 1.00 0.00 C ATOM 1185 C ARG A 78 3.284 -2.102 -3.637 1.00 0.00 C ATOM 1186 O ARG A 78 3.801 -1.047 -4.006 1.00 0.00 O ATOM 1187 CB ARG A 78 3.700 -2.399 -1.188 1.00 0.00 C ATOM 1188 CG ARG A 78 4.895 -3.214 -1.654 1.00 0.00 C ATOM 1189 CD ARG A 78 5.984 -2.323 -2.234 1.00 0.00 C ATOM 1190 NE ARG A 78 6.796 -3.025 -3.224 1.00 0.00 N ATOM 1191 CZ ARG A 78 8.041 -2.679 -3.532 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.614 -1.646 -2.930 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.715 -3.367 -4.444 1.00 0.00 N ATOM 0 H ARG A 78 1.965 -4.103 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 78 2.081 -1.291 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.045 -1.419 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.253 -2.888 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.297 -3.784 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.574 -3.935 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.528 -1.447 -2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.625 -1.963 -1.429 1.00 0.00 H new ATOM 0 HE ARG A 78 6.385 -3.825 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.099 -1.115 -2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.570 -1.383 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.277 -4.162 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.671 -3.101 -4.680 1.00 0.00 H new ATOM 1207 N ASP A 79 3.262 -3.197 -4.388 1.00 0.00 N ATOM 1208 CA ASP A 79 3.854 -3.223 -5.720 1.00 0.00 C ATOM 1209 C ASP A 79 3.009 -2.423 -6.706 1.00 0.00 C ATOM 1210 O ASP A 79 3.493 -2.006 -7.759 1.00 0.00 O ATOM 1211 CB ASP A 79 4.001 -4.665 -6.208 1.00 0.00 C ATOM 1212 CG ASP A 79 5.333 -5.275 -5.822 1.00 0.00 C ATOM 1213 OD1 ASP A 79 6.378 -4.672 -6.144 1.00 0.00 O ATOM 1214 OD2 ASP A 79 5.331 -6.354 -5.193 1.00 0.00 O ATOM 0 H ASP A 79 2.840 -4.079 -4.097 1.00 0.00 H new ATOM 0 HA ASP A 79 4.841 -2.765 -5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.194 -5.270 -5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.894 -4.691 -7.292 1.00 0.00 H new ATOM 1219 N ALA A 80 1.743 -2.212 -6.359 1.00 0.00 N ATOM 1220 CA ALA A 80 0.832 -1.462 -7.213 1.00 0.00 C ATOM 1221 C ALA A 80 1.064 0.040 -7.078 1.00 0.00 C ATOM 1222 O ALA A 80 1.212 0.746 -8.076 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.612 -1.806 -6.877 1.00 0.00 C ATOM 0 H ALA A 80 1.326 -2.550 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 80 1.030 -1.743 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.281 -1.238 -7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.777 -2.872 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.813 -1.554 -5.836 1.00 0.00 H new ATOM 1229 N ILE A 81 1.093 0.520 -5.839 1.00 0.00 N ATOM 1230 CA ILE A 81 1.308 1.937 -5.575 1.00 0.00 C ATOM 1231 C ILE A 81 2.476 2.478 -6.394 1.00 0.00 C ATOM 1232 O ILE A 81 2.457 3.627 -6.836 1.00 0.00 O ATOM 1233 CB ILE A 81 1.579 2.196 -4.081 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.409 1.692 -3.233 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.818 3.679 -3.837 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.771 1.458 -1.784 1.00 0.00 C ATOM 0 H ILE A 81 0.970 -0.051 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 81 0.394 2.455 -5.865 1.00 0.00 H new ATOM 0 HB ILE A 81 2.476 1.650 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.404 2.416 -3.284 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.035 0.762 -3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.008 3.847 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.680 4.009 -4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.937 4.244 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.106 1.102 -1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.563 0.712 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.117 2.391 -1.340 1.00 0.00 H new ATOM 1248 N LEU A 82 3.488 1.642 -6.593 1.00 0.00 N ATOM 1249 CA LEU A 82 4.665 2.036 -7.362 1.00 0.00 C ATOM 1250 C LEU A 82 4.380 1.982 -8.859 1.00 0.00 C ATOM 1251 O LEU A 82 4.496 2.988 -9.559 1.00 0.00 O ATOM 1252 CB LEU A 82 5.848 1.127 -7.022 1.00 0.00 C ATOM 1253 CG LEU A 82 6.171 0.973 -5.536 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.259 -0.070 -5.330 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.593 2.310 -4.941 1.00 0.00 C ATOM 0 H LEU A 82 3.519 0.688 -6.234 1.00 0.00 H new ATOM 0 HA LEU A 82 4.916 3.063 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.650 0.138 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.733 1.512 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 82 5.271 0.635 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.475 -0.165 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.921 -1.030 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.162 0.237 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.819 2.182 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.479 2.676 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.783 3.031 -5.054 1.00 0.00 H new ATOM 1267 N ARG A 83 4.007 0.802 -9.342 1.00 0.00 N ATOM 1268 CA ARG A 83 3.705 0.617 -10.757 1.00 0.00 C ATOM 1269 C ARG A 83 2.996 1.843 -11.327 1.00 0.00 C ATOM 1270 O ARG A 83 3.113 2.144 -12.515 1.00 0.00 O ATOM 1271 CB ARG A 83 2.837 -0.626 -10.957 1.00 0.00 C ATOM 1272 CG ARG A 83 3.017 -1.282 -12.316 1.00 0.00 C ATOM 1273 CD ARG A 83 2.654 -2.758 -12.275 1.00 0.00 C ATOM 1274 NE ARG A 83 2.750 -3.383 -13.591 1.00 0.00 N ATOM 1275 CZ ARG A 83 1.817 -3.266 -14.530 1.00 0.00 C ATOM 1276 NH1 ARG A 83 0.725 -2.552 -14.299 1.00 0.00 N ATOM 1277 NH2 ARG A 83 1.977 -3.864 -15.704 1.00 0.00 N ATOM 0 H ARG A 83 3.907 -0.040 -8.775 1.00 0.00 H new ATOM 0 HA ARG A 83 4.647 0.483 -11.289 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.072 -1.352 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.790 -0.352 -10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.394 -0.773 -13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.051 -1.170 -12.641 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.315 -3.275 -11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.639 -2.871 -11.893 1.00 0.00 H new ATOM 0 HE ARG A 83 3.578 -3.940 -13.801 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.599 -2.090 -13.398 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.011 -2.464 -15.022 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.817 -4.414 -15.886 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.260 -3.774 -16.424 1.00 0.00 H new ATOM 1291 N ILE A 84 2.260 2.545 -10.471 1.00 0.00 N ATOM 1292 CA ILE A 84 1.534 3.737 -10.888 1.00 0.00 C ATOM 1293 C ILE A 84 2.444 4.960 -10.899 1.00 0.00 C ATOM 1294 O ILE A 84 2.688 5.556 -11.949 1.00 0.00 O ATOM 1295 CB ILE A 84 0.330 4.014 -9.967 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.476 2.733 -9.745 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.549 5.105 -10.560 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.173 2.683 -8.404 1.00 0.00 C ATOM 0 H ILE A 84 2.151 2.308 -9.485 1.00 0.00 H new ATOM 0 HA ILE A 84 1.172 3.548 -11.899 1.00 0.00 H new ATOM 0 HB ILE A 84 0.701 4.358 -9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.220 2.640 -10.536 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.190 1.875 -9.831 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.395 5.290 -9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.032 6.021 -10.670 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.914 4.787 -11.537 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.725 1.747 -8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.432 2.744 -7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.865 3.521 -8.322 1.00 0.00 H new ATOM 1310 N VAL A 85 2.945 5.328 -9.725 1.00 0.00 N ATOM 1311 CA VAL A 85 3.832 6.480 -9.599 1.00 0.00 C ATOM 1312 C VAL A 85 4.712 6.632 -10.834 1.00 0.00 C ATOM 1313 O VAL A 85 5.006 7.747 -11.265 1.00 0.00 O ATOM 1314 CB VAL A 85 4.730 6.363 -8.353 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.750 7.491 -8.323 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.885 6.364 -7.087 1.00 0.00 C ATOM 0 H VAL A 85 2.752 4.846 -8.847 1.00 0.00 H new ATOM 0 HA VAL A 85 3.197 7.360 -9.498 1.00 0.00 H new ATOM 0 HB VAL A 85 5.270 5.418 -8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.376 7.392 -7.436 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.374 7.441 -9.215 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.232 8.450 -8.297 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.535 6.281 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.318 7.293 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.197 5.519 -7.108 1.00 0.00 H new ATOM 1326 N GLY A 86 5.130 5.505 -11.400 1.00 0.00 N ATOM 1327 CA GLY A 86 5.973 5.534 -12.581 1.00 0.00 C ATOM 1328 C GLY A 86 5.293 6.199 -13.761 1.00 0.00 C ATOM 1329 O GLY A 86 5.836 7.130 -14.355 1.00 0.00 O ATOM 0 H GLY A 86 4.900 4.571 -11.062 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.897 6.065 -12.351 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.250 4.515 -12.852 1.00 0.00 H new ATOM 1333 N GLU A 87 4.102 5.719 -14.104 1.00 0.00 N ATOM 1334 CA GLU A 87 3.349 6.271 -15.224 1.00 0.00 C ATOM 1335 C GLU A 87 2.954 7.720 -14.952 1.00 0.00 C ATOM 1336 O GLU A 87 2.992 8.565 -15.847 1.00 0.00 O ATOM 1337 CB GLU A 87 2.098 5.432 -15.491 1.00 0.00 C ATOM 1338 CG GLU A 87 0.958 5.714 -14.526 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.355 5.109 -14.981 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.386 3.890 -15.246 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.351 5.857 -15.073 1.00 0.00 O ATOM 0 H GLU A 87 3.638 4.949 -13.622 1.00 0.00 H new ATOM 0 HA GLU A 87 3.989 6.245 -16.106 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.756 5.619 -16.509 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.360 4.376 -15.432 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.214 5.320 -13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.838 6.792 -14.416 1.00 0.00 H new ATOM 1348 N LEU A 88 2.575 8.000 -13.711 1.00 0.00 N ATOM 1349 CA LEU A 88 2.173 9.346 -13.318 1.00 0.00 C ATOM 1350 C LEU A 88 3.299 10.345 -13.563 1.00 0.00 C ATOM 1351 O LEU A 88 3.096 11.382 -14.194 1.00 0.00 O ATOM 1352 CB LEU A 88 1.767 9.370 -11.844 1.00 0.00 C ATOM 1353 CG LEU A 88 0.836 8.247 -11.385 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.425 8.452 -9.936 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.389 8.168 -12.284 1.00 0.00 C ATOM 0 H LEU A 88 2.537 7.313 -12.958 1.00 0.00 H new ATOM 0 HA LEU A 88 1.317 9.634 -13.929 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.672 9.335 -11.238 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.282 10.324 -11.637 1.00 0.00 H new ATOM 0 HG LEU A 88 1.375 7.303 -11.457 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.237 7.643 -9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.312 8.456 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.095 9.405 -9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.040 7.363 -11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.930 9.113 -12.246 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.076 7.971 -13.309 1.00 0.00 H new