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= 0.506! USER MOD Set 1.2: A 22 THR OG1 : rot -31:sc= 0.356 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.342 F(o=-1.1,f=1.2) USER MOD Single : A 16 SER OG : rot -48:sc= 0.412 USER MOD Single : A 18 LYS NZ :NH3+ 145:sc= -1 (180deg=-2.52!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -8.99! C(o=-9!,f=-9.2!) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc=-0.000954 (180deg=-0.0818) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 65:sc= 1.1 USER MOD Single : A 41 GLN : amide:sc= -3.68! C(o=-3.7!,f=-3.6!) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.257 F(o=-0.87,f=-0.26) USER MOD Single : A 49 ASN : amide:sc= 0.11 K(o=0.11,f=-1.5) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0245 (180deg=-0.228) USER MOD Single : A 59 ASN : amide:sc=-0.00312 X(o=-0.0031,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.814 F(o=-3,f=-0.81) USER MOD Single : A 62 GLN : amide:sc= -5.43! C(o=-5.4!,f=-9.8!) 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+ -169:sc= 0 (180deg=-0.0466) USER MOD Single : A 73 ASN : amide:sc= -1.22! K(o=-1.2!,f=-2) USER MOD Single : A 74 THR OG1 : rot 165:sc= 0.227! USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.304 -13.019 11.440 1.00 0.00 N ATOM 160 CA LEU A 14 2.216 -12.699 10.020 1.00 0.00 C ATOM 161 C LEU A 14 1.229 -11.562 9.778 1.00 0.00 C ATOM 162 O LEU A 14 1.558 -10.570 9.126 1.00 0.00 O ATOM 163 CB LEU A 14 1.792 -13.936 9.226 1.00 0.00 C ATOM 164 CG LEU A 14 2.860 -15.014 9.042 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.246 -16.280 8.464 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.983 -14.508 8.148 1.00 0.00 C ATOM 0 HA LEU A 14 3.201 -12.377 9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.933 -14.385 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.457 -13.613 8.240 1.00 0.00 H new ATOM 0 HG LEU A 14 3.281 -15.251 10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.021 -17.036 8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.479 -16.654 9.142 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.798 -16.058 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.733 -15.289 8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.579 -14.241 7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.442 -13.630 8.602 1.00 0.00 H new ATOM 178 N ARG A 15 0.020 -11.711 10.308 1.00 0.00 N ATOM 179 CA ARG A 15 -1.014 -10.696 10.151 1.00 0.00 C ATOM 180 C ARG A 15 -0.572 -9.369 10.760 1.00 0.00 C ATOM 181 O ARG A 15 -1.097 -8.311 10.415 1.00 0.00 O ATOM 182 CB ARG A 15 -2.318 -11.159 10.805 1.00 0.00 C ATOM 183 CG ARG A 15 -2.183 -11.452 12.291 1.00 0.00 C ATOM 184 CD ARG A 15 -3.531 -11.759 12.923 1.00 0.00 C ATOM 185 NE ARG A 15 -4.470 -10.648 12.776 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.232 -10.468 11.704 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.168 -11.319 10.689 1.00 0.00 N ATOM 188 NH2 ARG A 15 -6.061 -9.435 11.645 1.00 0.00 N ATOM 0 H ARG A 15 -0.268 -12.526 10.850 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.182 -10.549 9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.079 -10.392 10.662 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.671 -12.056 10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.511 -12.298 12.437 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.732 -10.596 12.792 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.952 -12.653 12.463 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.393 -11.980 13.981 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.544 -9.975 13.539 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.532 -12.115 10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.755 -11.177 9.867 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.113 -8.778 12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.646 -9.297 10.821 1.00 0.00 H new ATOM 202 N SER A 16 0.399 -9.434 11.666 1.00 0.00 N ATOM 203 CA SER A 16 0.910 -8.238 12.325 1.00 0.00 C ATOM 204 C SER A 16 2.091 -7.655 11.554 1.00 0.00 C ATOM 205 O SER A 16 2.955 -6.991 12.127 1.00 0.00 O ATOM 206 CB SER A 16 1.334 -8.563 13.758 1.00 0.00 C ATOM 207 OG SER A 16 1.568 -7.379 14.502 1.00 0.00 O ATOM 0 H SER A 16 0.847 -10.302 11.960 1.00 0.00 H new ATOM 0 HA SER A 16 0.112 -7.496 12.348 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.559 -9.155 14.245 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.238 -9.172 13.744 1.00 0.00 H new ATOM 0 HG SER A 16 2.139 -6.774 13.984 1.00 0.00 H new ATOM 213 N PHE A 17 2.119 -7.908 10.249 1.00 0.00 N ATOM 214 CA PHE A 17 3.193 -7.409 9.398 1.00 0.00 C ATOM 215 C PHE A 17 2.876 -6.006 8.887 1.00 0.00 C ATOM 216 O PHE A 17 1.814 -5.769 8.308 1.00 0.00 O ATOM 217 CB PHE A 17 3.417 -8.356 8.217 1.00 0.00 C ATOM 218 CG PHE A 17 4.067 -7.695 7.034 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.329 -6.884 6.185 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.413 -7.884 6.771 1.00 0.00 C ATOM 221 CE1 PHE A 17 3.923 -6.277 5.096 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.014 -7.279 5.683 1.00 0.00 C ATOM 223 CZ PHE A 17 5.268 -6.472 4.845 1.00 0.00 C ATOM 0 H PHE A 17 1.411 -8.455 9.759 1.00 0.00 H new ATOM 0 HA PHE A 17 4.104 -7.361 9.995 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.038 -9.191 8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.458 -8.773 7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.278 -6.725 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.001 -8.512 7.424 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.337 -5.650 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.065 -7.437 5.488 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.735 -5.995 3.996 1.00 0.00 H new ATOM 233 N LYS A 18 3.802 -5.080 9.105 1.00 0.00 N ATOM 234 CA LYS A 18 3.624 -3.701 8.667 1.00 0.00 C ATOM 235 C LYS A 18 4.651 -3.331 7.602 1.00 0.00 C ATOM 236 O LYS A 18 5.857 -3.449 7.820 1.00 0.00 O ATOM 237 CB LYS A 18 3.744 -2.747 9.858 1.00 0.00 C ATOM 238 CG LYS A 18 3.231 -1.347 9.569 1.00 0.00 C ATOM 239 CD LYS A 18 2.871 -0.609 10.848 1.00 0.00 C ATOM 240 CE LYS A 18 1.475 -0.973 11.328 1.00 0.00 C ATOM 241 NZ LYS A 18 1.462 -2.261 12.075 1.00 0.00 N ATOM 0 H LYS A 18 4.685 -5.259 9.583 1.00 0.00 H new ATOM 0 HA LYS A 18 2.628 -3.610 8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.191 -3.161 10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.789 -2.687 10.161 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.991 -0.785 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.355 -1.406 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.598 -0.849 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.929 0.466 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.093 -0.178 11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.804 -1.043 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.760 -2.211 12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.214 -3.036 11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.404 -2.437 12.480 1.00 0.00 H new ATOM 255 N LEU A 19 4.165 -2.883 6.450 1.00 0.00 N ATOM 256 CA LEU A 19 5.041 -2.494 5.349 1.00 0.00 C ATOM 257 C LEU A 19 5.048 -0.980 5.168 1.00 0.00 C ATOM 258 O LEU A 19 4.066 -0.302 5.475 1.00 0.00 O ATOM 259 CB LEU A 19 4.594 -3.171 4.052 1.00 0.00 C ATOM 260 CG LEU A 19 5.299 -2.709 2.776 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.698 -3.298 2.695 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.485 -3.092 1.549 1.00 0.00 C ATOM 0 H LEU A 19 3.169 -2.780 6.253 1.00 0.00 H new ATOM 0 HA LEU A 19 6.053 -2.818 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.743 -4.246 4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.523 -3.008 3.931 1.00 0.00 H new ATOM 0 HG LEU A 19 5.386 -1.623 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.184 -2.958 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.280 -2.973 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.635 -4.386 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.002 -2.755 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.366 -4.175 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.504 -2.620 1.602 1.00 0.00 H new ATOM 274 N SER A 20 6.161 -0.454 4.667 1.00 0.00 N ATOM 275 CA SER A 20 6.297 0.981 4.447 1.00 0.00 C ATOM 276 C SER A 20 6.720 1.272 3.009 1.00 0.00 C ATOM 277 O SER A 20 7.800 0.874 2.576 1.00 0.00 O ATOM 278 CB SER A 20 7.317 1.574 5.420 1.00 0.00 C ATOM 279 OG SER A 20 8.622 1.550 4.868 1.00 0.00 O ATOM 0 H SER A 20 6.982 -1.000 4.406 1.00 0.00 H new ATOM 0 HA SER A 20 5.326 1.444 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.040 2.600 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.303 1.012 6.354 1.00 0.00 H new ATOM 0 HG SER A 20 8.637 0.956 4.089 1.00 0.00 H new ATOM 285 N VAL A 21 5.858 1.969 2.275 1.00 0.00 N ATOM 286 CA VAL A 21 6.141 2.316 0.888 1.00 0.00 C ATOM 287 C VAL A 21 6.640 3.752 0.770 1.00 0.00 C ATOM 288 O VAL A 21 5.941 4.696 1.139 1.00 0.00 O ATOM 289 CB VAL A 21 4.894 2.142 0.001 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.281 2.142 -1.471 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.154 0.865 0.366 1.00 0.00 C ATOM 0 H VAL A 21 4.958 2.304 2.618 1.00 0.00 H new ATOM 0 HA VAL A 21 6.920 1.636 0.544 1.00 0.00 H new ATOM 0 HB VAL A 21 4.225 2.985 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.387 2.018 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.763 3.087 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.971 1.321 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.276 0.759 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.813 0.009 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.842 0.911 1.409 1.00 0.00 H new ATOM 301 N THR A 22 7.854 3.911 0.253 1.00 0.00 N ATOM 302 CA THR A 22 8.447 5.232 0.087 1.00 0.00 C ATOM 303 C THR A 22 7.990 5.881 -1.214 1.00 0.00 C ATOM 304 O THR A 22 8.430 5.499 -2.298 1.00 0.00 O ATOM 305 CB THR A 22 9.986 5.162 0.099 1.00 0.00 C ATOM 306 OG1 THR A 22 10.433 4.384 1.216 1.00 0.00 O ATOM 307 CG2 THR A 22 10.590 6.557 0.172 1.00 0.00 C ATOM 0 H THR A 22 8.446 3.141 -0.058 1.00 0.00 H new ATOM 0 HA THR A 22 8.111 5.837 0.929 1.00 0.00 H new ATOM 0 HB THR A 22 10.314 4.689 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.799 4.481 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.677 6.483 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.272 7.137 -0.694 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.254 7.052 1.083 1.00 0.00 H new ATOM 315 N VAL A 23 7.103 6.865 -1.100 1.00 0.00 N ATOM 316 CA VAL A 23 6.587 7.568 -2.267 1.00 0.00 C ATOM 317 C VAL A 23 6.150 8.984 -1.908 1.00 0.00 C ATOM 318 O VAL A 23 5.423 9.192 -0.935 1.00 0.00 O ATOM 319 CB VAL A 23 5.395 6.819 -2.893 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.843 7.590 -4.081 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.808 5.413 -3.303 1.00 0.00 C ATOM 0 H VAL A 23 6.727 7.193 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 23 7.399 7.614 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 23 4.605 6.739 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.002 7.045 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.508 8.574 -3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.622 7.705 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.955 4.897 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.615 5.469 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.151 4.864 -2.426 1.00 0.00 H new ATOM 331 N ASP A 24 6.597 9.954 -2.696 1.00 0.00 N ATOM 332 CA ASP A 24 6.251 11.351 -2.462 1.00 0.00 C ATOM 333 C ASP A 24 4.777 11.492 -2.093 1.00 0.00 C ATOM 334 O ASP A 24 3.914 10.775 -2.600 1.00 0.00 O ATOM 335 CB ASP A 24 6.561 12.190 -3.703 1.00 0.00 C ATOM 336 CG ASP A 24 8.043 12.472 -3.857 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.551 13.370 -3.154 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.693 11.796 -4.680 1.00 0.00 O ATOM 0 H ASP A 24 7.201 9.799 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 24 6.852 11.713 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.199 11.669 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.019 13.134 -3.644 1.00 0.00 H new ATOM 343 N PRO A 25 4.482 12.436 -1.188 1.00 0.00 N ATOM 344 CA PRO A 25 3.113 12.692 -0.730 1.00 0.00 C ATOM 345 C PRO A 25 2.247 13.322 -1.815 1.00 0.00 C ATOM 346 O PRO A 25 1.067 13.600 -1.599 1.00 0.00 O ATOM 347 CB PRO A 25 3.306 13.666 0.435 1.00 0.00 C ATOM 348 CG PRO A 25 4.599 14.347 0.150 1.00 0.00 C ATOM 349 CD PRO A 25 5.460 13.326 -0.542 1.00 0.00 C ATOM 0 HA PRO A 25 2.596 11.773 -0.454 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.486 14.382 0.492 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.338 13.140 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.448 15.223 -0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.068 14.694 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.125 13.789 -1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.089 12.786 0.165 1.00 0.00 H new ATOM 357 N LYS A 26 2.839 13.546 -2.983 1.00 0.00 N ATOM 358 CA LYS A 26 2.123 14.143 -4.103 1.00 0.00 C ATOM 359 C LYS A 26 1.222 13.116 -4.782 1.00 0.00 C ATOM 360 O LYS A 26 0.087 13.418 -5.150 1.00 0.00 O ATOM 361 CB LYS A 26 3.111 14.720 -5.118 1.00 0.00 C ATOM 362 CG LYS A 26 3.742 13.671 -6.018 1.00 0.00 C ATOM 363 CD LYS A 26 4.758 14.287 -6.966 1.00 0.00 C ATOM 364 CE LYS A 26 6.148 14.318 -6.350 1.00 0.00 C ATOM 365 NZ LYS A 26 6.954 15.462 -6.858 1.00 0.00 N ATOM 0 H LYS A 26 3.815 13.322 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 26 1.499 14.948 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.596 15.455 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.900 15.250 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.228 12.911 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.964 13.169 -6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.783 13.717 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.450 15.301 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.063 14.387 -5.265 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.664 13.384 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.895 15.448 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.057 15.383 -7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.475 16.355 -6.625 1.00 0.00 H new ATOM 379 N TYR A 27 1.736 11.901 -4.944 1.00 0.00 N ATOM 380 CA TYR A 27 0.978 10.830 -5.578 1.00 0.00 C ATOM 381 C TYR A 27 0.022 10.175 -4.586 1.00 0.00 C ATOM 382 O TYR A 27 -0.946 9.522 -4.975 1.00 0.00 O ATOM 383 CB TYR A 27 1.927 9.779 -6.158 1.00 0.00 C ATOM 384 CG TYR A 27 3.017 10.362 -7.029 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.713 11.244 -8.059 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.350 10.032 -6.822 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.704 11.779 -8.858 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.350 10.563 -7.615 1.00 0.00 C ATOM 389 CZ TYR A 27 5.022 11.435 -8.631 1.00 0.00 C ATOM 390 OH TYR A 27 6.013 11.967 -9.423 1.00 0.00 O ATOM 0 H TYR A 27 2.674 11.634 -4.645 1.00 0.00 H new ATOM 0 HA TYR A 27 0.390 11.266 -6.386 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.385 9.224 -5.339 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.349 9.064 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.683 11.516 -8.238 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.610 9.348 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.450 12.462 -9.655 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.382 10.296 -7.440 1.00 0.00 H new ATOM 0 HH TYR A 27 6.884 11.625 -9.131 1.00 0.00 H new ATOM 400 N HIS A 28 0.302 10.356 -3.299 1.00 0.00 N ATOM 401 CA HIS A 28 -0.533 9.785 -2.248 1.00 0.00 C ATOM 402 C HIS A 28 -2.011 10.025 -2.537 1.00 0.00 C ATOM 403 O HIS A 28 -2.802 9.091 -2.675 1.00 0.00 O ATOM 404 CB HIS A 28 -0.163 10.385 -0.891 1.00 0.00 C ATOM 405 CG HIS A 28 0.841 9.575 -0.131 1.00 0.00 C ATOM 406 ND1 HIS A 28 0.973 9.633 1.241 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.765 8.681 -0.558 1.00 0.00 C ATOM 408 CE1 HIS A 28 1.934 8.812 1.624 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.431 8.222 0.551 1.00 0.00 N ATOM 0 H HIS A 28 1.100 10.893 -2.959 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.356 8.710 -2.222 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.233 11.389 -1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.066 10.486 -0.289 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.415 10.219 1.863 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.944 8.385 -1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.259 8.650 2.641 1.00 0.00 H new ATOM 417 N PRO A 29 -2.396 11.306 -2.632 1.00 0.00 N ATOM 418 CA PRO A 29 -3.782 11.698 -2.905 1.00 0.00 C ATOM 419 C PRO A 29 -4.208 11.363 -4.330 1.00 0.00 C ATOM 420 O PRO A 29 -5.374 11.523 -4.695 1.00 0.00 O ATOM 421 CB PRO A 29 -3.770 13.215 -2.693 1.00 0.00 C ATOM 422 CG PRO A 29 -2.358 13.621 -2.943 1.00 0.00 C ATOM 423 CD PRO A 29 -1.508 12.471 -2.478 1.00 0.00 C ATOM 0 HA PRO A 29 -4.489 11.170 -2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.453 13.716 -3.379 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.084 13.476 -1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.192 13.826 -4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.112 14.533 -2.399 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.605 12.370 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.189 12.599 -1.444 1.00 0.00 H new ATOM 431 N LYS A 30 -3.258 10.897 -5.134 1.00 0.00 N ATOM 432 CA LYS A 30 -3.535 10.537 -6.519 1.00 0.00 C ATOM 433 C LYS A 30 -3.868 9.053 -6.639 1.00 0.00 C ATOM 434 O LYS A 30 -4.707 8.660 -7.450 1.00 0.00 O ATOM 435 CB LYS A 30 -2.333 10.875 -7.405 1.00 0.00 C ATOM 436 CG LYS A 30 -2.035 12.361 -7.486 1.00 0.00 C ATOM 437 CD LYS A 30 -2.971 13.066 -8.453 1.00 0.00 C ATOM 438 CE LYS A 30 -3.061 14.555 -8.158 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.879 14.831 -6.944 1.00 0.00 N ATOM 0 H LYS A 30 -2.288 10.760 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.398 11.113 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.453 10.357 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.515 10.494 -8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.131 12.807 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.003 12.509 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.620 12.917 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.964 12.621 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.058 14.959 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.497 15.069 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.087 15.849 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.770 14.298 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.351 14.540 -6.096 1.00 0.00 H new ATOM 453 N ILE A 31 -3.207 8.235 -5.828 1.00 0.00 N ATOM 454 CA ILE A 31 -3.436 6.796 -5.843 1.00 0.00 C ATOM 455 C ILE A 31 -4.822 6.454 -5.308 1.00 0.00 C ATOM 456 O ILE A 31 -5.552 5.663 -5.906 1.00 0.00 O ATOM 457 CB ILE A 31 -2.377 6.049 -5.009 1.00 0.00 C ATOM 458 CG1 ILE A 31 -0.971 6.405 -5.493 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.606 4.547 -5.087 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.097 6.222 -4.436 1.00 0.00 C ATOM 0 H ILE A 31 -2.508 8.544 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.361 6.475 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.471 6.358 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.726 5.787 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.963 7.442 -5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.851 4.032 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.596 4.309 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.535 4.222 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.068 6.493 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.124 6.861 -3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.117 5.180 -4.116 1.00 0.00 H new ATOM 472 N ILE A 32 -5.180 7.057 -4.179 1.00 0.00 N ATOM 473 CA ILE A 32 -6.481 6.820 -3.566 1.00 0.00 C ATOM 474 C ILE A 32 -7.588 6.803 -4.613 1.00 0.00 C ATOM 475 O ILE A 32 -8.452 5.928 -4.606 1.00 0.00 O ATOM 476 CB ILE A 32 -6.807 7.888 -2.506 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.783 7.841 -1.370 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.215 7.686 -1.966 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.742 9.106 -0.541 1.00 0.00 C ATOM 0 H ILE A 32 -4.587 7.713 -3.671 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.428 5.845 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.756 8.871 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.013 6.997 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.794 7.660 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.431 8.449 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.933 7.766 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.292 6.699 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.994 9.002 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.482 9.951 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.720 9.278 -0.091 1.00 0.00 H new ATOM 491 N GLY A 33 -7.555 7.779 -5.516 1.00 0.00 N ATOM 492 CA GLY A 33 -8.561 7.857 -6.560 1.00 0.00 C ATOM 493 C GLY A 33 -9.463 9.066 -6.406 1.00 0.00 C ATOM 494 O GLY A 33 -9.231 9.915 -5.546 1.00 0.00 O ATOM 0 H GLY A 33 -6.851 8.516 -5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.069 7.896 -7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.167 6.951 -6.545 1.00 0.00 H new ATOM 498 N ARG A 34 -10.494 9.143 -7.241 1.00 0.00 N ATOM 499 CA ARG A 34 -11.432 10.257 -7.196 1.00 0.00 C ATOM 500 C ARG A 34 -12.126 10.328 -5.838 1.00 0.00 C ATOM 501 O ARG A 34 -12.025 11.330 -5.129 1.00 0.00 O ATOM 502 CB ARG A 34 -12.475 10.120 -8.306 1.00 0.00 C ATOM 503 CG ARG A 34 -12.047 10.746 -9.624 1.00 0.00 C ATOM 504 CD ARG A 34 -11.300 9.751 -10.497 1.00 0.00 C ATOM 505 NE ARG A 34 -11.071 10.269 -11.844 1.00 0.00 N ATOM 506 CZ ARG A 34 -10.233 11.263 -12.115 1.00 0.00 C ATOM 507 NH1 ARG A 34 -9.548 11.843 -11.139 1.00 0.00 N ATOM 508 NH2 ARG A 34 -10.078 11.678 -13.366 1.00 0.00 N ATOM 0 H ARG A 34 -10.701 8.447 -7.957 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.870 11.178 -7.347 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.685 9.063 -8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.405 10.584 -7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.925 11.111 -10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.411 11.609 -9.428 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.343 9.509 -10.034 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.869 8.823 -10.557 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.582 9.844 -12.618 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.664 11.526 -10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.905 12.606 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.603 11.234 -14.119 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.434 12.441 -13.574 1.00 0.00 H new ATOM 522 N LYS A 35 -12.831 9.259 -5.482 1.00 0.00 N ATOM 523 CA LYS A 35 -13.540 9.198 -4.211 1.00 0.00 C ATOM 524 C LYS A 35 -12.813 8.290 -3.225 1.00 0.00 C ATOM 525 O LYS A 35 -12.792 8.554 -2.023 1.00 0.00 O ATOM 526 CB LYS A 35 -14.970 8.695 -4.425 1.00 0.00 C ATOM 527 CG LYS A 35 -15.042 7.271 -4.948 1.00 0.00 C ATOM 528 CD LYS A 35 -15.098 6.262 -3.813 1.00 0.00 C ATOM 529 CE LYS A 35 -16.432 6.317 -3.085 1.00 0.00 C ATOM 530 NZ LYS A 35 -16.785 5.006 -2.474 1.00 0.00 N ATOM 0 H LYS A 35 -12.926 8.422 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.574 10.204 -3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.512 8.754 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.478 9.357 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.923 7.159 -5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.173 7.068 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.939 5.259 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.290 6.459 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.390 7.080 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.215 6.615 -3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.701 5.085 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.850 4.282 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.051 4.733 -1.789 1.00 0.00 H new ATOM 544 N GLY A 36 -12.218 7.220 -3.742 1.00 0.00 N ATOM 545 CA GLY A 36 -11.496 6.289 -2.891 1.00 0.00 C ATOM 546 C GLY A 36 -11.821 4.844 -3.208 1.00 0.00 C ATOM 547 O GLY A 36 -11.809 3.989 -2.323 1.00 0.00 O ATOM 0 H GLY A 36 -12.222 6.980 -4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.424 6.451 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.738 6.492 -1.848 1.00 0.00 H new ATOM 551 N ALA A 37 -12.114 4.568 -4.475 1.00 0.00 N ATOM 552 CA ALA A 37 -12.443 3.215 -4.906 1.00 0.00 C ATOM 553 C ALA A 37 -11.196 2.467 -5.365 1.00 0.00 C ATOM 554 O ALA A 37 -10.910 1.368 -4.890 1.00 0.00 O ATOM 555 CB ALA A 37 -13.477 3.254 -6.021 1.00 0.00 C ATOM 0 H ALA A 37 -12.130 5.264 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.863 2.680 -4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.714 2.237 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.382 3.743 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.077 3.810 -6.869 1.00 0.00 H new ATOM 561 N VAL A 38 -10.458 3.068 -6.292 1.00 0.00 N ATOM 562 CA VAL A 38 -9.240 2.458 -6.815 1.00 0.00 C ATOM 563 C VAL A 38 -8.445 1.781 -5.704 1.00 0.00 C ATOM 564 O VAL A 38 -8.152 0.587 -5.777 1.00 0.00 O ATOM 565 CB VAL A 38 -8.345 3.500 -7.511 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.067 2.851 -8.019 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.098 4.175 -8.647 1.00 0.00 C ATOM 0 H VAL A 38 -10.682 3.977 -6.697 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.548 1.710 -7.545 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.072 4.264 -6.783 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.447 3.602 -8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.520 2.419 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.316 2.066 -8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.450 4.908 -9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.402 3.426 -9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.982 4.676 -8.251 1.00 0.00 H new ATOM 577 N ILE A 39 -8.098 2.551 -4.678 1.00 0.00 N ATOM 578 CA ILE A 39 -7.337 2.024 -3.552 1.00 0.00 C ATOM 579 C ILE A 39 -8.094 0.898 -2.857 1.00 0.00 C ATOM 580 O ILE A 39 -7.502 -0.098 -2.439 1.00 0.00 O ATOM 581 CB ILE A 39 -7.020 3.126 -2.523 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.296 2.531 -1.314 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.296 3.830 -2.090 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.919 1.994 -1.637 1.00 0.00 C ATOM 0 H ILE A 39 -8.332 3.541 -4.603 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.402 1.635 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.364 3.861 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.207 3.295 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.902 1.726 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.055 4.606 -1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.774 4.283 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.975 3.107 -1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.465 1.588 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.002 1.207 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.296 2.800 -2.025 1.00 0.00 H new ATOM 596 N THR A 40 -9.408 1.060 -2.736 1.00 0.00 N ATOM 597 CA THR A 40 -10.246 0.058 -2.092 1.00 0.00 C ATOM 598 C THR A 40 -10.165 -1.279 -2.822 1.00 0.00 C ATOM 599 O THR A 40 -9.976 -2.324 -2.201 1.00 0.00 O ATOM 600 CB THR A 40 -11.718 0.510 -2.033 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.828 1.721 -1.280 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.588 -0.567 -1.403 1.00 0.00 C ATOM 0 H THR A 40 -9.915 1.877 -3.076 1.00 0.00 H new ATOM 0 HA THR A 40 -9.870 -0.063 -1.076 1.00 0.00 H new ATOM 0 HB THR A 40 -12.064 0.685 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.358 2.442 -1.749 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.623 -0.226 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.524 -1.479 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.241 -0.768 -0.389 1.00 0.00 H new ATOM 610 N GLN A 41 -10.308 -1.235 -4.143 1.00 0.00 N ATOM 611 CA GLN A 41 -10.250 -2.443 -4.957 1.00 0.00 C ATOM 612 C GLN A 41 -8.980 -3.235 -4.666 1.00 0.00 C ATOM 613 O GLN A 41 -9.039 -4.402 -4.279 1.00 0.00 O ATOM 614 CB GLN A 41 -10.315 -2.087 -6.443 1.00 0.00 C ATOM 615 CG GLN A 41 -10.102 -3.277 -7.365 1.00 0.00 C ATOM 616 CD GLN A 41 -8.636 -3.584 -7.591 1.00 0.00 C ATOM 617 OE1 GLN A 41 -7.841 -2.692 -7.889 1.00 0.00 O ATOM 618 NE2 GLN A 41 -8.268 -4.852 -7.451 1.00 0.00 N ATOM 0 H GLN A 41 -10.465 -0.377 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.109 -3.063 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.286 -1.640 -6.659 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.561 -1.331 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.592 -4.153 -6.940 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.580 -3.079 -8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.960 -5.559 -7.203 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.294 -5.119 -7.591 1.00 0.00 H new ATOM 627 N ILE A 42 -7.832 -2.594 -4.858 1.00 0.00 N ATOM 628 CA ILE A 42 -6.547 -3.237 -4.616 1.00 0.00 C ATOM 629 C ILE A 42 -6.520 -3.915 -3.250 1.00 0.00 C ATOM 630 O ILE A 42 -6.229 -5.106 -3.143 1.00 0.00 O ATOM 631 CB ILE A 42 -5.386 -2.228 -4.700 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.373 -1.544 -6.068 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.059 -2.924 -4.436 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.616 -0.235 -6.082 1.00 0.00 C ATOM 0 H ILE A 42 -7.766 -1.629 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.420 -3.989 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.532 -1.465 -3.936 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.928 -2.219 -6.799 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.400 -1.364 -6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.248 -2.198 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.072 -3.367 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.904 -3.706 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.649 0.193 -7.084 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.074 0.458 -5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.579 -0.411 -5.796 1.00 0.00 H new ATOM 646 N ARG A 43 -6.826 -3.148 -2.210 1.00 0.00 N ATOM 647 CA ARG A 43 -6.838 -3.674 -0.850 1.00 0.00 C ATOM 648 C ARG A 43 -7.570 -5.011 -0.791 1.00 0.00 C ATOM 649 O ARG A 43 -6.997 -6.027 -0.395 1.00 0.00 O ATOM 650 CB ARG A 43 -7.501 -2.675 0.100 1.00 0.00 C ATOM 651 CG ARG A 43 -6.610 -1.499 0.467 1.00 0.00 C ATOM 652 CD ARG A 43 -7.408 -0.372 1.105 1.00 0.00 C ATOM 653 NE ARG A 43 -7.822 -0.700 2.467 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.786 -0.056 3.116 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.430 0.944 2.531 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.106 -0.411 4.354 1.00 0.00 N ATOM 0 H ARG A 43 -7.069 -2.160 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.805 -3.831 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.414 -2.298 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.796 -3.195 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.833 -1.831 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.107 -1.129 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.806 0.537 1.118 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.289 -0.163 0.498 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.345 -1.464 2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.186 1.221 1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.170 1.437 3.032 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.612 -1.179 4.808 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.846 0.084 4.851 1.00 0.00 H new ATOM 670 N LEU A 44 -8.839 -5.003 -1.185 1.00 0.00 N ATOM 671 CA LEU A 44 -9.650 -6.215 -1.177 1.00 0.00 C ATOM 672 C LEU A 44 -9.032 -7.290 -2.065 1.00 0.00 C ATOM 673 O LEU A 44 -9.027 -8.470 -1.715 1.00 0.00 O ATOM 674 CB LEU A 44 -11.072 -5.904 -1.648 1.00 0.00 C ATOM 675 CG LEU A 44 -11.964 -5.167 -0.647 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.282 -4.774 -1.296 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.209 -6.027 0.584 1.00 0.00 C ATOM 0 H LEU A 44 -9.328 -4.171 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.686 -6.591 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.010 -5.306 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.558 -6.842 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.451 -4.258 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.904 -4.251 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.088 -4.119 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.800 -5.670 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.845 -5.486 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.700 -6.954 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.257 -6.258 1.062 1.00 0.00 H new ATOM 689 N GLU A 45 -8.510 -6.873 -3.215 1.00 0.00 N ATOM 690 CA GLU A 45 -7.888 -7.802 -4.152 1.00 0.00 C ATOM 691 C GLU A 45 -6.864 -8.683 -3.445 1.00 0.00 C ATOM 692 O GLU A 45 -6.809 -9.893 -3.669 1.00 0.00 O ATOM 693 CB GLU A 45 -7.216 -7.034 -5.292 1.00 0.00 C ATOM 694 CG GLU A 45 -6.813 -7.915 -6.463 1.00 0.00 C ATOM 695 CD GLU A 45 -7.984 -8.264 -7.361 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.999 -8.771 -6.841 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.885 -8.030 -8.584 1.00 0.00 O ATOM 0 H GLU A 45 -8.505 -5.900 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.669 -8.442 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.896 -6.259 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.331 -6.529 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.049 -7.405 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.364 -8.833 -6.084 1.00 0.00 H new ATOM 704 N HIS A 46 -6.053 -8.070 -2.589 1.00 0.00 N ATOM 705 CA HIS A 46 -5.030 -8.799 -1.848 1.00 0.00 C ATOM 706 C HIS A 46 -5.475 -9.051 -0.410 1.00 0.00 C ATOM 707 O HIS A 46 -4.815 -9.772 0.338 1.00 0.00 O ATOM 708 CB HIS A 46 -3.713 -8.022 -1.856 1.00 0.00 C ATOM 709 CG HIS A 46 -3.250 -7.643 -3.229 1.00 0.00 C ATOM 710 ND1 HIS A 46 -3.251 -6.448 -3.866 1.00 0.00 N flip ATOM 711 CD2 HIS A 46 -2.710 -8.548 -4.118 1.00 0.00 C flip ATOM 712 CE1 HIS A 46 -2.716 -6.651 -5.114 1.00 0.00 C flip ATOM 713 NE2 HIS A 46 -2.397 -7.926 -5.240 1.00 0.00 N flip ATOM 0 H HIS A 46 -6.084 -7.070 -2.391 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.880 -9.761 -2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.830 -7.118 -1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.942 -8.624 -1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.566 -9.601 -3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.579 -5.892 -5.869 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.979 -8.358 -6.065 1.00 0.00 H new ATOM 721 N ASP A 47 -6.600 -8.453 -0.031 1.00 0.00 N ATOM 722 CA ASP A 47 -7.133 -8.613 1.316 1.00 0.00 C ATOM 723 C ASP A 47 -6.212 -7.969 2.347 1.00 0.00 C ATOM 724 O ASP A 47 -5.939 -8.547 3.399 1.00 0.00 O ATOM 725 CB ASP A 47 -7.323 -10.096 1.640 1.00 0.00 C ATOM 726 CG ASP A 47 -7.980 -10.856 0.505 1.00 0.00 C ATOM 727 OD1 ASP A 47 -8.945 -10.328 -0.084 1.00 0.00 O ATOM 728 OD2 ASP A 47 -7.526 -11.981 0.205 1.00 0.00 O ATOM 0 H ASP A 47 -7.159 -7.854 -0.638 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.100 -8.113 1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.354 -10.544 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.931 -10.194 2.539 1.00 0.00 H new ATOM 733 N VAL A 48 -5.733 -6.768 2.036 1.00 0.00 N ATOM 734 CA VAL A 48 -4.841 -6.045 2.935 1.00 0.00 C ATOM 735 C VAL A 48 -5.414 -4.680 3.297 1.00 0.00 C ATOM 736 O VAL A 48 -6.479 -4.295 2.816 1.00 0.00 O ATOM 737 CB VAL A 48 -3.447 -5.854 2.309 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.815 -7.201 1.990 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.538 -4.990 1.060 1.00 0.00 C ATOM 0 H VAL A 48 -5.948 -6.276 1.169 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.746 -6.648 3.838 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.811 -5.343 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.831 -7.046 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.714 -7.782 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.447 -7.742 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.544 -4.865 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.190 -5.471 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.945 -4.013 1.322 1.00 0.00 H new ATOM 749 N ASN A 49 -4.700 -3.951 4.149 1.00 0.00 N ATOM 750 CA ASN A 49 -5.137 -2.628 4.577 1.00 0.00 C ATOM 751 C ASN A 49 -4.073 -1.579 4.274 1.00 0.00 C ATOM 752 O ASN A 49 -2.966 -1.629 4.811 1.00 0.00 O ATOM 753 CB ASN A 49 -5.455 -2.631 6.073 1.00 0.00 C ATOM 754 CG ASN A 49 -6.027 -1.309 6.547 1.00 0.00 C ATOM 755 OD1 ASN A 49 -7.236 -1.086 6.487 1.00 0.00 O ATOM 756 ND2 ASN A 49 -5.158 -0.424 7.020 1.00 0.00 N ATOM 0 H ASN A 49 -3.816 -4.255 4.557 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.040 -2.375 4.022 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.166 -3.429 6.289 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.547 -2.852 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.484 0.484 7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.164 -0.652 7.051 1.00 0.00 H new ATOM 763 N ILE A 50 -4.415 -0.627 3.411 1.00 0.00 N ATOM 764 CA ILE A 50 -3.489 0.434 3.038 1.00 0.00 C ATOM 765 C ILE A 50 -3.943 1.781 3.596 1.00 0.00 C ATOM 766 O ILE A 50 -4.984 2.305 3.204 1.00 0.00 O ATOM 767 CB ILE A 50 -3.347 0.547 1.509 1.00 0.00 C ATOM 768 CG1 ILE A 50 -2.972 -0.810 0.909 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.307 1.598 1.149 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.177 -0.886 -0.587 1.00 0.00 C ATOM 0 H ILE A 50 -5.327 -0.570 2.958 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.521 0.172 3.466 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.305 0.856 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.927 -1.022 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.567 -1.587 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.218 1.666 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.613 2.565 1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.344 1.317 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.891 -1.876 -0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.226 -0.706 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.562 -0.132 -1.077 1.00 0.00 H new ATOM 782 N GLN A 51 -3.153 2.332 4.510 1.00 0.00 N ATOM 783 CA GLN A 51 -3.473 3.617 5.120 1.00 0.00 C ATOM 784 C GLN A 51 -2.363 4.632 4.867 1.00 0.00 C ATOM 785 O GLN A 51 -1.195 4.377 5.163 1.00 0.00 O ATOM 786 CB GLN A 51 -3.694 3.451 6.625 1.00 0.00 C ATOM 787 CG GLN A 51 -4.599 4.513 7.228 1.00 0.00 C ATOM 788 CD GLN A 51 -4.347 4.721 8.708 1.00 0.00 C ATOM 789 OE1 GLN A 51 -5.021 4.132 9.554 1.00 0.00 O ATOM 790 NE2 GLN A 51 -3.373 5.564 9.031 1.00 0.00 N ATOM 0 H GLN A 51 -2.287 1.910 4.845 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.391 3.988 4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.125 2.468 6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.729 3.478 7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.448 5.455 6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.640 4.227 7.077 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.839 6.031 8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.159 5.744 10.012 1.00 0.00 H new ATOM 799 N PHE A 52 -2.734 5.783 4.319 1.00 0.00 N ATOM 800 CA PHE A 52 -1.769 6.836 4.024 1.00 0.00 C ATOM 801 C PHE A 52 -1.654 7.811 5.193 1.00 0.00 C ATOM 802 O PHE A 52 -2.594 8.010 5.963 1.00 0.00 O ATOM 803 CB PHE A 52 -2.175 7.590 2.756 1.00 0.00 C ATOM 804 CG PHE A 52 -2.380 6.696 1.567 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.589 6.048 1.371 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.363 6.503 0.645 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.779 5.223 0.278 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.548 5.680 -0.450 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.758 5.040 -0.635 1.00 0.00 C ATOM 0 H PHE A 52 -3.696 6.011 4.070 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.797 6.369 3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.096 8.141 2.949 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.407 8.326 2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.392 6.189 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.415 7.001 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.725 4.722 0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.747 5.537 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.906 4.398 -1.491 1.00 0.00 H new ATOM 819 N PRO A 53 -0.474 8.432 5.330 1.00 0.00 N ATOM 820 CA PRO A 53 -0.206 9.396 6.402 1.00 0.00 C ATOM 821 C PRO A 53 -0.981 10.696 6.219 1.00 0.00 C ATOM 822 O PRO A 53 -1.356 11.055 5.102 1.00 0.00 O ATOM 823 CB PRO A 53 1.299 9.649 6.284 1.00 0.00 C ATOM 824 CG PRO A 53 1.623 9.348 4.861 1.00 0.00 C ATOM 825 CD PRO A 53 0.691 8.243 4.448 1.00 0.00 C ATOM 0 HA PRO A 53 -0.513 9.017 7.377 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.548 10.679 6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.863 9.009 6.962 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.485 10.229 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.663 9.041 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.416 8.321 3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.145 7.262 4.586 1.00 0.00 H new ATOM 833 N ASP A 54 -1.217 11.399 7.321 1.00 0.00 N ATOM 834 CA ASP A 54 -1.946 12.661 7.282 1.00 0.00 C ATOM 835 C ASP A 54 -0.984 13.845 7.264 1.00 0.00 C ATOM 836 O ASP A 54 -0.152 13.995 8.160 1.00 0.00 O ATOM 837 CB ASP A 54 -2.886 12.770 8.484 1.00 0.00 C ATOM 838 CG ASP A 54 -4.112 13.611 8.187 1.00 0.00 C ATOM 839 OD1 ASP A 54 -5.005 13.124 7.463 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.177 14.757 8.680 1.00 0.00 O ATOM 0 H ASP A 54 -0.914 11.116 8.253 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.536 12.682 6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.199 11.771 8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.346 13.205 9.325 1.00 0.00 H new ATOM 845 N LYS A 55 -1.102 14.682 6.241 1.00 0.00 N ATOM 846 CA LYS A 55 -0.243 15.853 6.105 1.00 0.00 C ATOM 847 C LYS A 55 -0.333 16.738 7.343 1.00 0.00 C ATOM 848 O LYS A 55 0.685 17.188 7.872 1.00 0.00 O ATOM 849 CB LYS A 55 -0.632 16.655 4.862 1.00 0.00 C ATOM 850 CG LYS A 55 -1.054 15.790 3.687 1.00 0.00 C ATOM 851 CD LYS A 55 -0.761 16.470 2.360 1.00 0.00 C ATOM 852 CE LYS A 55 -1.689 17.651 2.121 1.00 0.00 C ATOM 853 NZ LYS A 55 -3.099 17.215 1.917 1.00 0.00 N ATOM 0 H LYS A 55 -1.785 14.572 5.492 1.00 0.00 H new ATOM 0 HA LYS A 55 0.786 15.509 5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.449 17.331 5.117 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.212 17.275 4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.531 14.835 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.120 15.573 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.274 16.811 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.871 15.750 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.638 18.331 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.351 18.208 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.649 17.999 1.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.121 16.404 1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.512 16.938 2.830 1.00 0.00 H new ATOM 867 N ASP A 56 -1.554 16.984 7.803 1.00 0.00 N ATOM 868 CA ASP A 56 -1.776 17.815 8.981 1.00 0.00 C ATOM 869 C ASP A 56 -0.876 17.376 10.132 1.00 0.00 C ATOM 870 O ASP A 56 -0.309 18.208 10.841 1.00 0.00 O ATOM 871 CB ASP A 56 -3.243 17.748 9.410 1.00 0.00 C ATOM 872 CG ASP A 56 -4.164 18.452 8.434 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.724 19.441 7.812 1.00 0.00 O ATOM 874 OD2 ASP A 56 -5.326 18.015 8.294 1.00 0.00 O ATOM 0 H ASP A 56 -2.407 16.620 7.378 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.528 18.844 8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.544 16.705 9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.351 18.199 10.397 1.00 0.00 H new ATOM 879 N ASP A 57 -0.751 16.066 10.312 1.00 0.00 N ATOM 880 CA ASP A 57 0.081 15.516 11.376 1.00 0.00 C ATOM 881 C ASP A 57 1.471 16.146 11.360 1.00 0.00 C ATOM 882 O ASP A 57 1.875 16.806 12.317 1.00 0.00 O ATOM 883 CB ASP A 57 0.194 13.998 11.232 1.00 0.00 C ATOM 884 CG ASP A 57 0.380 13.302 12.566 1.00 0.00 C ATOM 885 OD1 ASP A 57 -0.617 13.153 13.302 1.00 0.00 O ATOM 886 OD2 ASP A 57 1.526 12.909 12.875 1.00 0.00 O ATOM 0 H ASP A 57 -1.215 15.365 9.735 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.393 15.748 12.330 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.704 13.614 10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.035 13.759 10.581 1.00 0.00 H new ATOM 891 N GLY A 58 2.198 15.936 10.267 1.00 0.00 N ATOM 892 CA GLY A 58 3.535 16.488 10.148 1.00 0.00 C ATOM 893 C GLY A 58 4.596 15.564 10.712 1.00 0.00 C ATOM 894 O GLY A 58 5.294 14.880 9.964 1.00 0.00 O ATOM 0 H GLY A 58 1.885 15.394 9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.751 16.686 9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.577 17.445 10.668 1.00 0.00 H new ATOM 898 N ASN A 59 4.719 15.545 12.035 1.00 0.00 N ATOM 899 CA ASN A 59 5.706 14.699 12.698 1.00 0.00 C ATOM 900 C ASN A 59 5.882 13.381 11.951 1.00 0.00 C ATOM 901 O ASN A 59 6.998 12.883 11.808 1.00 0.00 O ATOM 902 CB ASN A 59 5.284 14.426 14.144 1.00 0.00 C ATOM 903 CG ASN A 59 5.623 15.576 15.071 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.736 16.278 15.559 1.00 0.00 O ATOM 905 ND2 ASN A 59 6.912 15.776 15.320 1.00 0.00 N ATOM 0 H ASN A 59 4.149 16.105 12.669 1.00 0.00 H new ATOM 0 HA ASN A 59 6.660 15.227 12.697 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.210 14.240 14.178 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.776 13.520 14.498 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.200 16.535 15.937 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.614 15.170 14.894 1.00 0.00 H new ATOM 912 N GLN A 60 4.773 12.823 11.476 1.00 0.00 N ATOM 913 CA GLN A 60 4.807 11.562 10.744 1.00 0.00 C ATOM 914 C GLN A 60 5.135 11.797 9.272 1.00 0.00 C ATOM 915 O GLN A 60 4.863 12.859 8.712 1.00 0.00 O ATOM 916 CB GLN A 60 3.465 10.839 10.870 1.00 0.00 C ATOM 917 CG GLN A 60 3.096 10.488 12.302 1.00 0.00 C ATOM 918 CD GLN A 60 1.699 9.910 12.420 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.730 10.576 11.803 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.494 8.878 13.058 1.00 0.00 N flip ATOM 0 H GLN A 60 3.841 13.223 11.585 1.00 0.00 H new ATOM 0 HA GLN A 60 5.589 10.939 11.178 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.682 11.467 10.445 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.497 9.925 10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.816 9.770 12.693 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.169 11.382 12.921 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.269 8.399 13.516 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.549 8.501 13.129 1.00 0.00 H new ATOM 929 N PRO A 61 5.735 10.783 8.631 1.00 0.00 N ATOM 930 CA PRO A 61 6.113 10.854 7.216 1.00 0.00 C ATOM 931 C PRO A 61 4.901 10.852 6.292 1.00 0.00 C ATOM 932 O PRO A 61 4.046 9.971 6.377 1.00 0.00 O ATOM 933 CB PRO A 61 6.948 9.587 7.007 1.00 0.00 C ATOM 934 CG PRO A 61 6.467 8.640 8.053 1.00 0.00 C ATOM 935 CD PRO A 61 6.089 9.488 9.236 1.00 0.00 C ATOM 0 HA PRO A 61 6.647 11.775 6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.804 9.179 6.007 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.013 9.792 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.613 8.065 7.696 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.245 7.924 8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.251 9.059 9.786 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.915 9.586 9.940 1.00 0.00 H new ATOM 943 N GLN A 62 4.835 11.843 5.408 1.00 0.00 N ATOM 944 CA GLN A 62 3.726 11.954 4.468 1.00 0.00 C ATOM 945 C GLN A 62 4.030 11.203 3.176 1.00 0.00 C ATOM 946 O GLN A 62 3.141 10.970 2.357 1.00 0.00 O ATOM 947 CB GLN A 62 3.436 13.424 4.160 1.00 0.00 C ATOM 948 CG GLN A 62 3.294 14.289 5.402 1.00 0.00 C ATOM 949 CD GLN A 62 2.313 13.714 6.404 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.258 13.199 6.033 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.656 13.800 7.684 1.00 0.00 N ATOM 0 H GLN A 62 5.536 12.579 5.323 1.00 0.00 H new ATOM 0 HA GLN A 62 2.846 11.506 4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.239 13.822 3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.519 13.490 3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.269 14.400 5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.966 15.287 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.540 14.235 7.947 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.035 13.431 8.404 1.00 0.00 H new ATOM 960 N ASP A 63 5.292 10.825 3.000 1.00 0.00 N ATOM 961 CA ASP A 63 5.714 10.099 1.808 1.00 0.00 C ATOM 962 C ASP A 63 5.709 8.594 2.058 1.00 0.00 C ATOM 963 O ASP A 63 5.776 7.800 1.120 1.00 0.00 O ATOM 964 CB ASP A 63 7.110 10.553 1.376 1.00 0.00 C ATOM 965 CG ASP A 63 8.210 9.757 2.050 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.432 8.596 1.650 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.850 10.296 2.978 1.00 0.00 O ATOM 0 H ASP A 63 6.040 11.010 3.668 1.00 0.00 H new ATOM 0 HA ASP A 63 5.006 10.318 1.009 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.203 10.453 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.234 11.610 1.610 1.00 0.00 H new ATOM 972 N GLN A 64 5.630 8.211 3.329 1.00 0.00 N ATOM 973 CA GLN A 64 5.618 6.802 3.701 1.00 0.00 C ATOM 974 C GLN A 64 4.189 6.283 3.825 1.00 0.00 C ATOM 975 O GLN A 64 3.341 6.918 4.452 1.00 0.00 O ATOM 976 CB GLN A 64 6.364 6.595 5.020 1.00 0.00 C ATOM 977 CG GLN A 64 7.877 6.672 4.883 1.00 0.00 C ATOM 978 CD GLN A 64 8.505 5.324 4.586 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.322 4.841 3.362 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.148 4.724 5.447 1.00 0.00 N flip ATOM 0 H GLN A 64 5.573 8.856 4.117 1.00 0.00 H new ATOM 0 HA GLN A 64 6.122 6.241 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.034 7.347 5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.094 5.623 5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.131 7.371 4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.302 7.072 5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.263 5.132 6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.565 3.818 5.233 1.00 0.00 H new ATOM 989 N ILE A 65 3.930 5.128 3.222 1.00 0.00 N ATOM 990 CA ILE A 65 2.604 4.524 3.266 1.00 0.00 C ATOM 991 C ILE A 65 2.608 3.247 4.100 1.00 0.00 C ATOM 992 O ILE A 65 3.379 2.323 3.837 1.00 0.00 O ATOM 993 CB ILE A 65 2.086 4.200 1.853 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.328 5.383 0.913 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.606 3.847 1.898 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.280 5.010 -0.552 1.00 0.00 C ATOM 0 H ILE A 65 4.621 4.592 2.697 1.00 0.00 H new ATOM 0 HA ILE A 65 1.940 5.254 3.729 1.00 0.00 H new ATOM 0 HB ILE A 65 2.634 3.338 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.580 6.151 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.301 5.821 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.255 3.621 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.459 2.977 2.538 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.043 4.690 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.460 5.897 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.046 4.264 -0.763 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.299 4.599 -0.791 1.00 0.00 H new ATOM 1008 N THR A 66 1.741 3.200 5.106 1.00 0.00 N ATOM 1009 CA THR A 66 1.643 2.037 5.978 1.00 0.00 C ATOM 1010 C THR A 66 0.659 1.014 5.423 1.00 0.00 C ATOM 1011 O THR A 66 -0.439 1.369 4.989 1.00 0.00 O ATOM 1012 CB THR A 66 1.205 2.435 7.400 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.680 3.751 7.708 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.736 1.446 8.427 1.00 0.00 C ATOM 0 H THR A 66 1.096 3.955 5.337 1.00 0.00 H new ATOM 0 HA THR A 66 2.637 1.593 6.023 1.00 0.00 H new ATOM 0 HB THR A 66 0.116 2.424 7.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.396 3.998 8.613 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.414 1.748 9.424 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.350 0.451 8.207 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.825 1.430 8.387 1.00 0.00 H new ATOM 1022 N ILE A 67 1.056 -0.253 5.440 1.00 0.00 N ATOM 1023 CA ILE A 67 0.206 -1.327 4.939 1.00 0.00 C ATOM 1024 C ILE A 67 0.316 -2.569 5.818 1.00 0.00 C ATOM 1025 O ILE A 67 1.403 -3.115 6.008 1.00 0.00 O ATOM 1026 CB ILE A 67 0.568 -1.703 3.490 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.472 -0.474 2.583 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.342 -2.812 2.988 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.045 -0.698 1.201 1.00 0.00 C ATOM 0 H ILE A 67 1.961 -0.562 5.795 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.819 -0.956 4.963 1.00 0.00 H new ATOM 0 HB ILE A 67 1.595 -2.067 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.574 -0.181 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.996 0.358 3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.074 -3.067 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.228 -3.691 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.378 -2.475 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.943 0.214 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.100 -0.961 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.506 -1.508 0.710 1.00 0.00 H new ATOM 1041 N THR A 68 -0.819 -3.013 6.349 1.00 0.00 N ATOM 1042 CA THR A 68 -0.852 -4.191 7.206 1.00 0.00 C ATOM 1043 C THR A 68 -1.405 -5.399 6.459 1.00 0.00 C ATOM 1044 O THR A 68 -2.173 -5.255 5.510 1.00 0.00 O ATOM 1045 CB THR A 68 -1.706 -3.946 8.466 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.368 -2.682 9.048 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.493 -5.053 9.486 1.00 0.00 C ATOM 0 H THR A 68 -1.728 -2.574 6.200 1.00 0.00 H new ATOM 0 HA THR A 68 0.176 -4.392 7.506 1.00 0.00 H new ATOM 0 HB THR A 68 -2.756 -3.941 8.172 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.916 -2.533 9.847 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.105 -4.859 10.367 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.778 -6.010 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.442 -5.085 9.775 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.008 -6.591 6.895 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.475 -7.807 6.256 1.00 0.00 C ATOM 1057 C GLY A 69 -0.366 -8.824 6.065 1.00 0.00 C ATOM 1058 O GLY A 69 0.764 -8.608 6.502 1.00 0.00 O ATOM 0 H GLY A 69 -0.372 -6.736 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.269 -8.249 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.909 -7.561 5.287 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.690 -9.934 5.413 1.00 0.00 N ATOM 1063 CA TYR A 70 0.285 -10.990 5.169 1.00 0.00 C ATOM 1064 C TYR A 70 1.476 -10.459 4.378 1.00 0.00 C ATOM 1065 O TYR A 70 1.323 -9.964 3.262 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.365 -12.151 4.415 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.483 -12.820 5.182 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -1.224 -13.532 6.347 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.799 -12.739 4.743 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.243 -14.145 7.051 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.825 -13.348 5.440 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.541 -14.050 6.593 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.559 -14.659 7.292 1.00 0.00 O ATOM 0 H TYR A 70 -1.621 -10.126 5.043 1.00 0.00 H new ATOM 0 HA TYR A 70 0.643 -11.348 6.134 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.756 -11.784 3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.398 -12.893 4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.209 -13.608 6.708 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.024 -12.190 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.025 -14.695 7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.842 -13.275 5.085 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.412 -14.496 6.837 1.00 0.00 H new ATOM 1083 N GLU A 71 2.665 -10.567 4.965 1.00 0.00 N ATOM 1084 CA GLU A 71 3.883 -10.098 4.315 1.00 0.00 C ATOM 1085 C GLU A 71 3.811 -10.311 2.805 1.00 0.00 C ATOM 1086 O GLU A 71 4.257 -9.469 2.025 1.00 0.00 O ATOM 1087 CB GLU A 71 5.104 -10.822 4.885 1.00 0.00 C ATOM 1088 CG GLU A 71 6.386 -10.553 4.115 1.00 0.00 C ATOM 1089 CD GLU A 71 7.573 -11.309 4.678 1.00 0.00 C ATOM 1090 OE1 GLU A 71 8.149 -10.849 5.686 1.00 0.00 O ATOM 1091 OE2 GLU A 71 7.927 -12.364 4.110 1.00 0.00 O ATOM 0 H GLU A 71 2.810 -10.975 5.889 1.00 0.00 H new ATOM 0 HA GLU A 71 3.979 -9.030 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.243 -10.520 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.911 -11.895 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.244 -10.832 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.599 -9.484 4.133 1.00 0.00 H new ATOM 1098 N LYS A 72 3.245 -11.442 2.400 1.00 0.00 N ATOM 1099 CA LYS A 72 3.112 -11.767 0.985 1.00 0.00 C ATOM 1100 C LYS A 72 2.114 -10.837 0.304 1.00 0.00 C ATOM 1101 O LYS A 72 2.467 -10.098 -0.615 1.00 0.00 O ATOM 1102 CB LYS A 72 2.668 -13.223 0.814 1.00 0.00 C ATOM 1103 CG LYS A 72 3.823 -14.204 0.725 1.00 0.00 C ATOM 1104 CD LYS A 72 4.415 -14.245 -0.674 1.00 0.00 C ATOM 1105 CE LYS A 72 5.825 -14.813 -0.667 1.00 0.00 C ATOM 1106 NZ LYS A 72 6.816 -13.831 -0.148 1.00 0.00 N ATOM 0 H LYS A 72 2.871 -12.150 3.032 1.00 0.00 H new ATOM 0 HA LYS A 72 4.086 -11.633 0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.030 -13.501 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.062 -13.306 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.596 -13.923 1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.478 -15.200 1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.781 -14.851 -1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.429 -13.239 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.851 -15.714 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.102 -15.109 -1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.779 -14.180 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.682 -12.917 -0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.680 -13.709 0.876 1.00 0.00 H new ATOM 1120 N ASN A 73 0.866 -10.877 0.761 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.182 -10.037 0.196 1.00 0.00 C ATOM 1122 C ASN A 73 0.246 -8.573 0.174 1.00 0.00 C ATOM 1123 O ASN A 73 0.267 -7.935 -0.879 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.475 -10.189 1.000 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.158 -11.520 0.751 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.592 -12.410 0.115 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.379 -11.662 1.252 1.00 0.00 N ATOM 0 H ASN A 73 0.557 -11.483 1.521 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.359 -10.361 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.252 -10.091 2.063 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.158 -9.380 0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.887 -12.536 1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.809 -10.897 1.773 1.00 0.00 H new ATOM 1134 N THR A 74 0.591 -8.044 1.344 1.00 0.00 N ATOM 1135 CA THR A 74 1.018 -6.656 1.461 1.00 0.00 C ATOM 1136 C THR A 74 1.942 -6.267 0.312 1.00 0.00 C ATOM 1137 O THR A 74 1.735 -5.247 -0.345 1.00 0.00 O ATOM 1138 CB THR A 74 1.744 -6.401 2.795 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.845 -7.307 2.935 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.791 -6.569 3.969 1.00 0.00 C ATOM 0 H THR A 74 0.583 -8.558 2.225 1.00 0.00 H new ATOM 0 HA THR A 74 0.116 -6.044 1.424 1.00 0.00 H new ATOM 0 HB THR A 74 2.116 -5.376 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.436 -6.995 3.652 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.325 -6.384 4.901 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.031 -5.859 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.395 -7.584 3.973 1.00 0.00 H new ATOM 1148 N GLU A 75 2.960 -7.089 0.073 1.00 0.00 N ATOM 1149 CA GLU A 75 3.916 -6.828 -0.997 1.00 0.00 C ATOM 1150 C GLU A 75 3.215 -6.786 -2.352 1.00 0.00 C ATOM 1151 O GLU A 75 3.549 -5.969 -3.210 1.00 0.00 O ATOM 1152 CB GLU A 75 5.007 -7.902 -1.008 1.00 0.00 C ATOM 1153 CG GLU A 75 5.962 -7.811 0.169 1.00 0.00 C ATOM 1154 CD GLU A 75 6.987 -6.706 0.006 1.00 0.00 C ATOM 1155 OE1 GLU A 75 8.056 -6.970 -0.583 1.00 0.00 O ATOM 1156 OE2 GLU A 75 6.719 -5.576 0.466 1.00 0.00 O ATOM 0 H GLU A 75 3.143 -7.940 0.605 1.00 0.00 H new ATOM 0 HA GLU A 75 4.374 -5.856 -0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.537 -8.885 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.576 -7.820 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.392 -7.640 1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.477 -8.764 0.288 1.00 0.00 H new ATOM 1163 N ALA A 76 2.243 -7.672 -2.538 1.00 0.00 N ATOM 1164 CA ALA A 76 1.493 -7.735 -3.787 1.00 0.00 C ATOM 1165 C ALA A 76 0.717 -6.444 -4.027 1.00 0.00 C ATOM 1166 O ALA A 76 0.495 -6.047 -5.170 1.00 0.00 O ATOM 1167 CB ALA A 76 0.549 -8.928 -3.776 1.00 0.00 C ATOM 0 H ALA A 76 1.956 -8.357 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 76 2.204 -7.857 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.004 -8.963 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.125 -9.846 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.150 -8.831 -2.946 1.00 0.00 H new ATOM 1173 N ALA A 77 0.307 -5.795 -2.942 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.442 -4.549 -3.036 1.00 0.00 C ATOM 1175 C ALA A 77 0.495 -3.350 -3.133 1.00 0.00 C ATOM 1176 O ALA A 77 0.239 -2.410 -3.887 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.370 -4.400 -1.839 1.00 0.00 C ATOM 0 H ALA A 77 0.481 -6.112 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.041 -4.582 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.924 -3.465 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.070 -5.235 -1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.782 -4.393 -0.921 1.00 0.00 H new ATOM 1183 N ARG A 78 1.580 -3.389 -2.367 1.00 0.00 N ATOM 1184 CA ARG A 78 2.554 -2.304 -2.366 1.00 0.00 C ATOM 1185 C ARG A 78 3.171 -2.127 -3.750 1.00 0.00 C ATOM 1186 O ARG A 78 3.666 -1.052 -4.087 1.00 0.00 O ATOM 1187 CB ARG A 78 3.653 -2.578 -1.338 1.00 0.00 C ATOM 1188 CG ARG A 78 4.818 -3.382 -1.890 1.00 0.00 C ATOM 1189 CD ARG A 78 5.894 -2.477 -2.468 1.00 0.00 C ATOM 1190 NE ARG A 78 6.657 -3.139 -3.523 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.889 -2.786 -3.872 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.494 -1.781 -3.253 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.518 -3.437 -4.841 1.00 0.00 N ATOM 0 H ARG A 78 1.807 -4.160 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 78 2.035 -1.384 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.027 -1.628 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.222 -3.113 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.245 -3.997 -1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.459 -4.062 -2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.432 -1.574 -2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.571 -2.165 -1.673 1.00 0.00 H new ATOM 0 HE ARG A 78 6.220 -3.915 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.013 -1.278 -2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.440 -1.512 -3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.056 -4.210 -5.320 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.464 -3.165 -5.108 1.00 0.00 H new ATOM 1207 N ASP A 79 3.138 -3.188 -4.548 1.00 0.00 N ATOM 1208 CA ASP A 79 3.693 -3.150 -5.895 1.00 0.00 C ATOM 1209 C ASP A 79 2.868 -2.237 -6.797 1.00 0.00 C ATOM 1210 O ASP A 79 3.402 -1.593 -7.700 1.00 0.00 O ATOM 1211 CB ASP A 79 3.747 -4.560 -6.488 1.00 0.00 C ATOM 1212 CG ASP A 79 4.517 -4.610 -7.792 1.00 0.00 C ATOM 1213 OD1 ASP A 79 4.488 -3.608 -8.539 1.00 0.00 O ATOM 1214 OD2 ASP A 79 5.151 -5.650 -8.067 1.00 0.00 O ATOM 0 H ASP A 79 2.732 -4.086 -4.285 1.00 0.00 H new ATOM 0 HA ASP A 79 4.706 -2.751 -5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.211 -5.236 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.732 -4.920 -6.655 1.00 0.00 H new ATOM 1219 N ALA A 80 1.564 -2.188 -6.547 1.00 0.00 N ATOM 1220 CA ALA A 80 0.666 -1.354 -7.335 1.00 0.00 C ATOM 1221 C ALA A 80 0.957 0.126 -7.116 1.00 0.00 C ATOM 1222 O ALA A 80 1.222 0.865 -8.066 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.783 -1.665 -6.990 1.00 0.00 C ATOM 0 H ALA A 80 1.106 -2.716 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 80 0.834 -1.579 -8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.442 -1.034 -7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.991 -2.713 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.955 -1.471 -5.931 1.00 0.00 H new ATOM 1229 N ILE A 81 0.906 0.554 -5.859 1.00 0.00 N ATOM 1230 CA ILE A 81 1.165 1.948 -5.516 1.00 0.00 C ATOM 1231 C ILE A 81 2.335 2.503 -6.321 1.00 0.00 C ATOM 1232 O ILE A 81 2.323 3.664 -6.733 1.00 0.00 O ATOM 1233 CB ILE A 81 1.467 2.111 -4.014 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.292 1.600 -3.179 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.762 3.567 -3.689 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.532 1.679 -1.686 1.00 0.00 C ATOM 0 H ILE A 81 0.688 -0.043 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 81 0.261 2.507 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 81 2.348 1.519 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.598 2.178 -3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.086 0.565 -3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.973 3.667 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.626 3.900 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.898 4.179 -3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.342 1.300 -1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.403 1.078 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.708 2.716 -1.400 1.00 0.00 H new ATOM 1248 N LEU A 82 3.344 1.668 -6.543 1.00 0.00 N ATOM 1249 CA LEU A 82 4.522 2.075 -7.301 1.00 0.00 C ATOM 1250 C LEU A 82 4.269 1.966 -8.800 1.00 0.00 C ATOM 1251 O LEU A 82 4.527 2.905 -9.553 1.00 0.00 O ATOM 1252 CB LEU A 82 5.725 1.213 -6.912 1.00 0.00 C ATOM 1253 CG LEU A 82 5.991 1.069 -5.413 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.056 0.013 -5.159 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.409 2.405 -4.815 1.00 0.00 C ATOM 0 H LEU A 82 3.370 0.705 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 82 4.736 3.117 -7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.585 0.217 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.615 1.634 -7.380 1.00 0.00 H new ATOM 0 HG LEU A 82 5.068 0.749 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.232 -0.076 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.718 -0.946 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.982 0.303 -5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.594 2.284 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.319 2.754 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.614 3.135 -4.965 1.00 0.00 H new ATOM 1267 N ARG A 83 3.758 0.816 -9.228 1.00 0.00 N ATOM 1268 CA ARG A 83 3.468 0.586 -10.638 1.00 0.00 C ATOM 1269 C ARG A 83 2.770 1.794 -11.254 1.00 0.00 C ATOM 1270 O ARG A 83 2.902 2.058 -12.450 1.00 0.00 O ATOM 1271 CB ARG A 83 2.595 -0.660 -10.804 1.00 0.00 C ATOM 1272 CG ARG A 83 3.392 -1.948 -10.934 1.00 0.00 C ATOM 1273 CD ARG A 83 2.484 -3.168 -10.923 1.00 0.00 C ATOM 1274 NE ARG A 83 1.987 -3.493 -12.258 1.00 0.00 N ATOM 1275 CZ ARG A 83 1.012 -4.364 -12.486 1.00 0.00 C ATOM 1276 NH1 ARG A 83 0.430 -4.994 -11.476 1.00 0.00 N ATOM 1277 NH2 ARG A 83 0.614 -4.607 -13.730 1.00 0.00 N ATOM 0 H ARG A 83 3.536 0.029 -8.618 1.00 0.00 H new ATOM 0 HA ARG A 83 4.414 0.431 -11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.926 -0.741 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.968 -0.539 -11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.967 -1.929 -11.860 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.108 -2.018 -10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.029 -4.022 -10.521 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.641 -2.986 -10.257 1.00 0.00 H new ATOM 0 HE ARG A 83 2.413 -3.025 -13.058 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.731 -4.810 -10.519 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.319 -5.663 -11.656 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.058 -4.124 -14.511 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.135 -5.277 -13.904 1.00 0.00 H new ATOM 1291 N ILE A 84 2.026 2.525 -10.430 1.00 0.00 N ATOM 1292 CA ILE A 84 1.309 3.706 -10.894 1.00 0.00 C ATOM 1293 C ILE A 84 2.219 4.930 -10.919 1.00 0.00 C ATOM 1294 O ILE A 84 2.514 5.475 -11.982 1.00 0.00 O ATOM 1295 CB ILE A 84 0.088 4.008 -10.005 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.773 2.754 -9.841 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.730 5.146 -10.597 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.526 2.706 -8.530 1.00 0.00 C ATOM 0 H ILE A 84 1.904 2.320 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 84 0.968 3.489 -11.906 1.00 0.00 H new ATOM 0 HB ILE A 84 0.441 4.315 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.487 2.703 -10.663 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.136 1.873 -9.917 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.589 5.347 -9.957 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.112 6.041 -10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.076 4.866 -11.592 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.115 1.790 -8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.817 2.725 -7.702 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.189 3.568 -8.460 1.00 0.00 H new ATOM 1310 N VAL A 85 2.664 5.353 -9.741 1.00 0.00 N ATOM 1311 CA VAL A 85 3.545 6.510 -9.628 1.00 0.00 C ATOM 1312 C VAL A 85 4.486 6.604 -10.823 1.00 0.00 C ATOM 1313 O VAL A 85 4.807 7.695 -11.289 1.00 0.00 O ATOM 1314 CB VAL A 85 4.380 6.455 -8.334 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.519 7.462 -8.391 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.498 6.704 -7.120 1.00 0.00 C ATOM 0 H VAL A 85 2.429 4.913 -8.851 1.00 0.00 H new ATOM 0 HA VAL A 85 2.906 7.393 -9.603 1.00 0.00 H new ATOM 0 HB VAL A 85 4.812 5.458 -8.243 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.098 7.409 -7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.165 7.233 -9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.111 8.466 -8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.104 6.662 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.036 7.688 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.721 5.941 -7.072 1.00 0.00 H new ATOM 1326 N GLY A 86 4.924 5.449 -11.316 1.00 0.00 N ATOM 1327 CA GLY A 86 5.825 5.423 -12.455 1.00 0.00 C ATOM 1328 C GLY A 86 5.214 6.053 -13.691 1.00 0.00 C ATOM 1329 O GLY A 86 5.846 6.878 -14.350 1.00 0.00 O ATOM 0 H GLY A 86 4.672 4.532 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.745 5.949 -12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.099 4.391 -12.674 1.00 0.00 H new ATOM 1333 N GLU A 87 3.983 5.663 -14.006 1.00 0.00 N ATOM 1334 CA GLU A 87 3.290 6.195 -15.173 1.00 0.00 C ATOM 1335 C GLU A 87 2.912 7.658 -14.963 1.00 0.00 C ATOM 1336 O GLU A 87 3.028 8.479 -15.874 1.00 0.00 O ATOM 1337 CB GLU A 87 2.034 5.370 -15.467 1.00 0.00 C ATOM 1338 CG GLU A 87 0.837 5.760 -14.618 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.456 5.140 -15.112 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.968 5.593 -16.158 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -0.955 4.204 -14.454 1.00 0.00 O ATOM 0 H GLU A 87 3.446 4.981 -13.470 1.00 0.00 H new ATOM 0 HA GLU A 87 3.967 6.132 -16.025 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.774 5.482 -16.520 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.256 4.315 -15.304 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.012 5.453 -13.587 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.737 6.845 -14.615 1.00 0.00 H new ATOM 1348 N LEU A 88 2.459 7.978 -13.755 1.00 0.00 N ATOM 1349 CA LEU A 88 2.064 9.342 -13.423 1.00 0.00 C ATOM 1350 C LEU A 88 3.191 10.325 -13.723 1.00 0.00 C ATOM 1351 O LEU A 88 3.022 11.257 -14.508 1.00 0.00 O ATOM 1352 CB LEU A 88 1.671 9.435 -11.948 1.00 0.00 C ATOM 1353 CG LEU A 88 0.738 8.339 -11.431 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.306 8.635 -10.004 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.474 8.199 -12.339 1.00 0.00 C ATOM 0 H LEU A 88 2.356 7.311 -12.990 1.00 0.00 H new ATOM 0 HA LEU A 88 1.204 9.605 -14.040 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.581 9.422 -11.349 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.193 10.400 -11.780 1.00 0.00 H new ATOM 0 HG LEU A 88 1.281 7.394 -11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.357 7.844 -9.653 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.184 8.684 -9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.219 9.590 -9.973 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.127 7.415 -11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.018 9.143 -12.367 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.146 7.939 -13.346 1.00 0.00 H new