USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 51 CYS SG : rot -110:sc= -1.1 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.716! K(o=-0.72!,f=-1.2) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00859 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 27 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.43) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 35 CYS SG : rot -35:sc= 0.257 USER MOD Single : A 36 LYS NZ :NH3+ -165:sc=-0.00619 (180deg=-0.125) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= 0.134! (180deg=0.0169) USER MOD Single : A 40 MET CE :methyl -136:sc= -1.73 (180deg=-3.22!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.73 K(o=0.73,f=-2.3!) USER MOD Single : A 68 MET CE :methyl -146:sc= -6.44! (180deg=-8.76!) USER MOD Single : A 69 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.039) USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= -1.12 (180deg=-2.46!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 163 N PRO A 8 -9.884 -0.398 -4.694 1.00 0.00 N ATOM 164 CA PRO A 8 -8.439 -0.167 -4.615 1.00 0.00 C ATOM 165 C PRO A 8 -7.659 -1.453 -4.365 1.00 0.00 C ATOM 166 O PRO A 8 -8.044 -2.271 -3.529 1.00 0.00 O ATOM 167 CB PRO A 8 -8.296 0.785 -3.424 1.00 0.00 C ATOM 168 CG PRO A 8 -9.496 0.518 -2.581 1.00 0.00 C ATOM 169 CD PRO A 8 -10.601 0.160 -3.535 1.00 0.00 C ATOM 0 HA PRO A 8 -8.039 0.231 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.375 0.595 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.264 1.825 -3.750 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.307 -0.295 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.760 1.394 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.288 -0.566 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.192 1.033 -3.811 1.00 0.00 H new ATOM 177 N ARG A 9 -6.561 -1.625 -5.094 1.00 0.00 N ATOM 178 CA ARG A 9 -5.728 -2.812 -4.951 1.00 0.00 C ATOM 179 C ARG A 9 -4.256 -2.431 -4.822 1.00 0.00 C ATOM 180 O ARG A 9 -3.375 -3.291 -4.852 1.00 0.00 O ATOM 181 CB ARG A 9 -5.921 -3.743 -6.150 1.00 0.00 C ATOM 182 CG ARG A 9 -7.244 -4.489 -6.135 1.00 0.00 C ATOM 183 CD ARG A 9 -7.524 -5.155 -7.473 1.00 0.00 C ATOM 184 NE ARG A 9 -8.169 -4.244 -8.414 1.00 0.00 N ATOM 185 CZ ARG A 9 -8.161 -4.420 -9.731 1.00 0.00 C ATOM 186 NH1 ARG A 9 -7.545 -5.468 -10.259 1.00 0.00 N ATOM 187 NH2 ARG A 9 -8.771 -3.546 -10.522 1.00 0.00 N ATOM 0 H ARG A 9 -6.228 -0.957 -5.789 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.032 -3.332 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.854 -3.158 -7.068 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.106 -4.466 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.229 -5.243 -5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.051 -3.796 -5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.589 -5.516 -7.901 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.160 -6.026 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.652 -3.427 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.076 -6.142 -9.654 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.540 -5.601 -11.270 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.246 -2.739 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.764 -3.682 -11.533 1.00 0.00 H new ATOM 201 N THR A 10 -3.996 -1.135 -4.678 1.00 0.00 N ATOM 202 CA THR A 10 -2.632 -0.640 -4.545 1.00 0.00 C ATOM 203 C THR A 10 -2.409 -0.004 -3.178 1.00 0.00 C ATOM 204 O THR A 10 -3.266 0.720 -2.671 1.00 0.00 O ATOM 205 CB THR A 10 -2.300 0.393 -5.640 1.00 0.00 C ATOM 206 OG1 THR A 10 -2.693 -0.109 -6.921 1.00 0.00 O ATOM 207 CG2 THR A 10 -0.813 0.713 -5.648 1.00 0.00 C ATOM 0 H THR A 10 -4.713 -0.410 -4.651 1.00 0.00 H new ATOM 0 HA THR A 10 -1.971 -1.500 -4.655 1.00 0.00 H new ATOM 0 HB THR A 10 -2.851 1.309 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.480 0.553 -7.611 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.602 1.444 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.524 1.122 -4.680 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.246 -0.198 -5.841 1.00 0.00 H new ATOM 215 N LEU A 11 -1.251 -0.277 -2.586 1.00 0.00 N ATOM 216 CA LEU A 11 -0.914 0.270 -1.275 1.00 0.00 C ATOM 217 C LEU A 11 0.469 0.910 -1.293 1.00 0.00 C ATOM 218 O LEU A 11 1.421 0.344 -1.832 1.00 0.00 O ATOM 219 CB LEU A 11 -0.967 -0.830 -0.214 1.00 0.00 C ATOM 220 CG LEU A 11 -1.961 -1.963 -0.470 1.00 0.00 C ATOM 221 CD1 LEU A 11 -1.641 -3.162 0.410 1.00 0.00 C ATOM 222 CD2 LEU A 11 -3.386 -1.487 -0.229 1.00 0.00 C ATOM 0 H LEU A 11 -0.530 -0.873 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.646 1.039 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.029 -1.262 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.209 -0.371 0.745 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.873 -2.269 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.359 -3.959 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.635 -3.518 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.700 -2.870 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.080 -2.307 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.488 -1.153 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.612 -0.660 -0.902 1.00 0.00 H new ATOM 234 N TYR A 12 0.575 2.093 -0.698 1.00 0.00 N ATOM 235 CA TYR A 12 1.843 2.811 -0.645 1.00 0.00 C ATOM 236 C TYR A 12 2.601 2.485 0.638 1.00 0.00 C ATOM 237 O TYR A 12 2.073 2.632 1.740 1.00 0.00 O ATOM 238 CB TYR A 12 1.603 4.320 -0.738 1.00 0.00 C ATOM 239 CG TYR A 12 2.667 5.145 -0.050 1.00 0.00 C ATOM 240 CD1 TYR A 12 2.551 5.486 1.291 1.00 0.00 C ATOM 241 CD2 TYR A 12 3.789 5.585 -0.743 1.00 0.00 C ATOM 242 CE1 TYR A 12 3.520 6.242 1.923 1.00 0.00 C ATOM 243 CE2 TYR A 12 4.763 6.339 -0.119 1.00 0.00 C ATOM 244 CZ TYR A 12 4.625 6.665 1.214 1.00 0.00 C ATOM 245 OH TYR A 12 5.593 7.416 1.840 1.00 0.00 O ATOM 0 H TYR A 12 -0.202 2.575 -0.246 1.00 0.00 H new ATOM 0 HA TYR A 12 2.447 2.492 -1.494 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.554 4.608 -1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.633 4.553 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.688 5.155 1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.901 5.333 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.413 6.500 2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.629 6.672 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 12 6.304 7.631 1.201 1.00 0.00 H new ATOM 255 N VAL A 13 3.845 2.040 0.486 1.00 0.00 N ATOM 256 CA VAL A 13 4.678 1.693 1.630 1.00 0.00 C ATOM 257 C VAL A 13 5.780 2.725 1.841 1.00 0.00 C ATOM 258 O VAL A 13 6.617 2.942 0.965 1.00 0.00 O ATOM 259 CB VAL A 13 5.318 0.303 1.458 1.00 0.00 C ATOM 260 CG1 VAL A 13 5.952 -0.159 2.761 1.00 0.00 C ATOM 261 CG2 VAL A 13 4.284 -0.703 0.973 1.00 0.00 C ATOM 0 H VAL A 13 4.297 1.912 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 13 4.026 1.679 2.503 1.00 0.00 H new ATOM 0 HB VAL A 13 6.103 0.375 0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.399 -1.143 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.723 0.550 3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.189 -0.216 3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.753 -1.680 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.475 -0.773 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.882 -0.377 0.014 1.00 0.00 H new ATOM 271 N GLY A 14 5.775 3.358 3.010 1.00 0.00 N ATOM 272 CA GLY A 14 6.779 4.361 3.315 1.00 0.00 C ATOM 273 C GLY A 14 7.534 4.054 4.593 1.00 0.00 C ATOM 274 O GLY A 14 7.178 3.134 5.327 1.00 0.00 O ATOM 0 H GLY A 14 5.094 3.194 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.485 4.428 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.299 5.336 3.405 1.00 0.00 H new ATOM 278 N ASN A 15 8.583 4.826 4.858 1.00 0.00 N ATOM 279 CA ASN A 15 9.393 4.631 6.056 1.00 0.00 C ATOM 280 C ASN A 15 10.081 3.269 6.031 1.00 0.00 C ATOM 281 O ASN A 15 10.055 2.530 7.015 1.00 0.00 O ATOM 282 CB ASN A 15 8.524 4.752 7.309 1.00 0.00 C ATOM 283 CG ASN A 15 9.328 5.150 8.532 1.00 0.00 C ATOM 284 OD1 ASN A 15 9.521 6.336 8.803 1.00 0.00 O ATOM 285 ND2 ASN A 15 9.800 4.159 9.278 1.00 0.00 N ATOM 0 H ASN A 15 8.892 5.592 4.260 1.00 0.00 H new ATOM 0 HA ASN A 15 10.159 5.406 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.741 5.491 7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.028 3.800 7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.347 4.366 10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.616 3.191 9.016 1.00 0.00 H new ATOM 292 N LEU A 16 10.696 2.945 4.899 1.00 0.00 N ATOM 293 CA LEU A 16 11.394 1.672 4.744 1.00 0.00 C ATOM 294 C LEU A 16 12.884 1.830 5.026 1.00 0.00 C ATOM 295 O LEU A 16 13.529 2.745 4.515 1.00 0.00 O ATOM 296 CB LEU A 16 11.185 1.123 3.333 1.00 0.00 C ATOM 297 CG LEU A 16 9.732 0.949 2.887 1.00 0.00 C ATOM 298 CD1 LEU A 16 9.656 0.752 1.381 1.00 0.00 C ATOM 299 CD2 LEU A 16 9.089 -0.224 3.614 1.00 0.00 C ATOM 0 H LEU A 16 10.726 3.545 4.075 1.00 0.00 H new ATOM 0 HA LEU A 16 10.980 0.968 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.683 1.789 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.683 0.156 3.264 1.00 0.00 H new ATOM 0 HG LEU A 16 9.182 1.855 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.615 0.630 1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.078 1.622 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.220 -0.138 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.056 -0.334 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.640 -1.137 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.110 -0.042 4.688 1.00 0.00 H new ATOM 311 N SER A 17 13.425 0.931 5.841 1.00 0.00 N ATOM 312 CA SER A 17 14.841 0.971 6.193 1.00 0.00 C ATOM 313 C SER A 17 15.713 0.881 4.944 1.00 0.00 C ATOM 314 O SER A 17 15.233 0.543 3.861 1.00 0.00 O ATOM 315 CB SER A 17 15.182 -0.172 7.151 1.00 0.00 C ATOM 316 OG SER A 17 16.559 -0.497 7.086 1.00 0.00 O ATOM 0 H SER A 17 12.905 0.166 6.271 1.00 0.00 H new ATOM 0 HA SER A 17 15.041 1.922 6.687 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.920 0.113 8.170 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.586 -1.050 6.902 1.00 0.00 H new ATOM 0 HG SER A 17 16.752 -1.229 7.708 1.00 0.00 H new ATOM 322 N ARG A 18 16.996 1.185 5.104 1.00 0.00 N ATOM 323 CA ARG A 18 17.937 1.140 3.990 1.00 0.00 C ATOM 324 C ARG A 18 18.207 -0.300 3.566 1.00 0.00 C ATOM 325 O ARG A 18 18.665 -0.554 2.451 1.00 0.00 O ATOM 326 CB ARG A 18 19.249 1.826 4.375 1.00 0.00 C ATOM 327 CG ARG A 18 19.276 3.311 4.058 1.00 0.00 C ATOM 328 CD ARG A 18 20.691 3.799 3.790 1.00 0.00 C ATOM 329 NE ARG A 18 21.488 3.862 5.013 1.00 0.00 N ATOM 330 CZ ARG A 18 22.791 4.124 5.028 1.00 0.00 C ATOM 331 NH1 ARG A 18 23.439 4.345 3.893 1.00 0.00 N ATOM 332 NH2 ARG A 18 23.446 4.165 6.180 1.00 0.00 N ATOM 0 H ARG A 18 17.409 1.465 5.994 1.00 0.00 H new ATOM 0 HA ARG A 18 17.492 1.671 3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.422 1.688 5.442 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.072 1.337 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.651 3.510 3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.849 3.870 4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 18 21.175 3.133 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 18 20.653 4.787 3.330 1.00 0.00 H new ATOM 0 HE ARG A 18 21.019 3.696 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 18 22.938 4.314 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 18 24.439 4.546 3.907 1.00 0.00 H new ATOM 0 HH21 ARG A 18 22.950 3.995 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 18 24.446 4.366 6.191 1.00 0.00 H new ATOM 346 N ASP A 19 17.924 -1.240 4.462 1.00 0.00 N ATOM 347 CA ASP A 19 18.137 -2.654 4.181 1.00 0.00 C ATOM 348 C ASP A 19 16.956 -3.239 3.412 1.00 0.00 C ATOM 349 O ASP A 19 17.105 -4.207 2.666 1.00 0.00 O ATOM 350 CB ASP A 19 18.349 -3.428 5.482 1.00 0.00 C ATOM 351 CG ASP A 19 19.798 -3.422 5.930 1.00 0.00 C ATOM 352 OD1 ASP A 19 20.683 -3.216 5.074 1.00 0.00 O ATOM 353 OD2 ASP A 19 20.046 -3.623 7.138 1.00 0.00 O ATOM 0 H ASP A 19 17.546 -1.047 5.390 1.00 0.00 H new ATOM 0 HA ASP A 19 19.031 -2.746 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.728 -2.993 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.018 -4.458 5.347 1.00 0.00 H new ATOM 358 N VAL A 20 15.781 -2.646 3.601 1.00 0.00 N ATOM 359 CA VAL A 20 14.574 -3.108 2.927 1.00 0.00 C ATOM 360 C VAL A 20 14.798 -3.234 1.424 1.00 0.00 C ATOM 361 O VAL A 20 15.460 -2.395 0.811 1.00 0.00 O ATOM 362 CB VAL A 20 13.391 -2.155 3.180 1.00 0.00 C ATOM 363 CG1 VAL A 20 12.153 -2.630 2.434 1.00 0.00 C ATOM 364 CG2 VAL A 20 13.111 -2.038 4.672 1.00 0.00 C ATOM 0 H VAL A 20 15.640 -1.844 4.216 1.00 0.00 H new ATOM 0 HA VAL A 20 14.336 -4.088 3.340 1.00 0.00 H new ATOM 0 HB VAL A 20 13.656 -1.167 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.328 -1.944 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.361 -2.658 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.882 -3.628 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.272 -1.361 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.866 -3.021 5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.994 -1.648 5.178 1.00 0.00 H new ATOM 374 N THR A 21 14.241 -4.286 0.835 1.00 0.00 N ATOM 375 CA THR A 21 14.380 -4.523 -0.597 1.00 0.00 C ATOM 376 C THR A 21 13.048 -4.926 -1.219 1.00 0.00 C ATOM 377 O THR A 21 12.138 -5.376 -0.524 1.00 0.00 O ATOM 378 CB THR A 21 15.421 -5.620 -0.887 1.00 0.00 C ATOM 379 OG1 THR A 21 15.285 -6.687 0.058 1.00 0.00 O ATOM 380 CG2 THR A 21 16.833 -5.056 -0.822 1.00 0.00 C ATOM 0 H THR A 21 13.689 -4.988 1.327 1.00 0.00 H new ATOM 0 HA THR A 21 14.717 -3.586 -1.041 1.00 0.00 H new ATOM 0 HB THR A 21 15.244 -6.001 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.949 -7.381 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.551 -5.849 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 21 16.943 -4.263 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 21 17.018 -4.651 0.173 1.00 0.00 H new ATOM 388 N GLU A 22 12.940 -4.762 -2.535 1.00 0.00 N ATOM 389 CA GLU A 22 11.719 -5.109 -3.250 1.00 0.00 C ATOM 390 C GLU A 22 11.312 -6.553 -2.964 1.00 0.00 C ATOM 391 O GLU A 22 10.142 -6.842 -2.714 1.00 0.00 O ATOM 392 CB GLU A 22 11.908 -4.910 -4.756 1.00 0.00 C ATOM 393 CG GLU A 22 10.793 -5.514 -5.594 1.00 0.00 C ATOM 394 CD GLU A 22 11.070 -6.954 -5.980 1.00 0.00 C ATOM 395 OE1 GLU A 22 10.867 -7.846 -5.131 1.00 0.00 O ATOM 396 OE2 GLU A 22 11.490 -7.188 -7.133 1.00 0.00 O ATOM 0 H GLU A 22 13.684 -4.391 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 22 10.925 -4.449 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.973 -3.843 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.858 -5.353 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.857 -5.464 -5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.659 -4.919 -6.497 1.00 0.00 H new ATOM 403 N VAL A 23 12.287 -7.455 -3.004 1.00 0.00 N ATOM 404 CA VAL A 23 12.033 -8.867 -2.749 1.00 0.00 C ATOM 405 C VAL A 23 11.595 -9.095 -1.307 1.00 0.00 C ATOM 406 O VAL A 23 10.734 -9.932 -1.033 1.00 0.00 O ATOM 407 CB VAL A 23 13.280 -9.723 -3.038 1.00 0.00 C ATOM 408 CG1 VAL A 23 13.055 -11.161 -2.597 1.00 0.00 C ATOM 409 CG2 VAL A 23 13.640 -9.659 -4.514 1.00 0.00 C ATOM 0 H VAL A 23 13.261 -7.232 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 23 11.230 -9.171 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 23 14.116 -9.320 -2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.947 -11.750 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 23 12.850 -11.186 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.206 -11.579 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.524 -10.270 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.807 -10.035 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.848 -8.626 -4.793 1.00 0.00 H new ATOM 419 N LEU A 24 12.194 -8.346 -0.387 1.00 0.00 N ATOM 420 CA LEU A 24 11.866 -8.465 1.029 1.00 0.00 C ATOM 421 C LEU A 24 10.406 -8.104 1.282 1.00 0.00 C ATOM 422 O LEU A 24 9.670 -8.859 1.919 1.00 0.00 O ATOM 423 CB LEU A 24 12.779 -7.564 1.862 1.00 0.00 C ATOM 424 CG LEU A 24 12.803 -7.839 3.365 1.00 0.00 C ATOM 425 CD1 LEU A 24 13.887 -7.013 4.042 1.00 0.00 C ATOM 426 CD2 LEU A 24 11.443 -7.546 3.983 1.00 0.00 C ATOM 0 H LEU A 24 12.909 -7.650 -0.597 1.00 0.00 H new ATOM 0 HA LEU A 24 12.021 -9.502 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.795 -7.658 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.474 -6.529 1.707 1.00 0.00 H new ATOM 0 HG LEU A 24 13.030 -8.894 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.889 -7.222 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 14.858 -7.271 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.691 -5.953 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.479 -7.747 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.187 -6.499 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.688 -8.181 3.519 1.00 0.00 H new ATOM 438 N ILE A 25 9.992 -6.946 0.778 1.00 0.00 N ATOM 439 CA ILE A 25 8.619 -6.487 0.947 1.00 0.00 C ATOM 440 C ILE A 25 7.628 -7.495 0.376 1.00 0.00 C ATOM 441 O ILE A 25 6.633 -7.835 1.018 1.00 0.00 O ATOM 442 CB ILE A 25 8.395 -5.122 0.268 1.00 0.00 C ATOM 443 CG1 ILE A 25 9.222 -4.040 0.964 1.00 0.00 C ATOM 444 CG2 ILE A 25 6.917 -4.760 0.284 1.00 0.00 C ATOM 445 CD1 ILE A 25 8.616 -3.558 2.264 1.00 0.00 C ATOM 0 H ILE A 25 10.588 -6.309 0.249 1.00 0.00 H new ATOM 0 HA ILE A 25 8.450 -6.383 2.019 1.00 0.00 H new ATOM 0 HB ILE A 25 8.722 -5.190 -0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.221 -4.428 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.337 -3.192 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.774 -3.793 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.350 -5.521 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.567 -4.706 1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.256 -2.792 2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.628 -3.139 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.527 -4.395 2.956 1.00 0.00 H new ATOM 457 N LEU A 26 7.907 -7.971 -0.832 1.00 0.00 N ATOM 458 CA LEU A 26 7.040 -8.944 -1.489 1.00 0.00 C ATOM 459 C LEU A 26 6.929 -10.221 -0.662 1.00 0.00 C ATOM 460 O LEU A 26 5.891 -10.883 -0.663 1.00 0.00 O ATOM 461 CB LEU A 26 7.575 -9.271 -2.885 1.00 0.00 C ATOM 462 CG LEU A 26 7.269 -8.247 -3.978 1.00 0.00 C ATOM 463 CD1 LEU A 26 7.918 -8.659 -5.291 1.00 0.00 C ATOM 464 CD2 LEU A 26 5.766 -8.086 -4.152 1.00 0.00 C ATOM 0 H LEU A 26 8.726 -7.700 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 26 6.046 -8.506 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.656 -9.390 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.167 -10.234 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 26 7.685 -7.286 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.690 -7.919 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.998 -8.723 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.532 -9.631 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.567 -7.353 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.327 -9.044 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.326 -7.745 -3.215 1.00 0.00 H new ATOM 476 N GLN A 27 8.003 -10.558 0.043 1.00 0.00 N ATOM 477 CA GLN A 27 8.024 -11.756 0.875 1.00 0.00 C ATOM 478 C GLN A 27 7.082 -11.608 2.065 1.00 0.00 C ATOM 479 O GLN A 27 6.275 -12.496 2.344 1.00 0.00 O ATOM 480 CB GLN A 27 9.447 -12.035 1.368 1.00 0.00 C ATOM 481 CG GLN A 27 10.338 -12.678 0.317 1.00 0.00 C ATOM 482 CD GLN A 27 9.904 -14.087 -0.033 1.00 0.00 C ATOM 483 OE1 GLN A 27 9.591 -14.890 0.848 1.00 0.00 O ATOM 484 NE2 GLN A 27 9.885 -14.397 -1.324 1.00 0.00 N ATOM 0 H GLN A 27 8.869 -10.020 0.055 1.00 0.00 H new ATOM 0 HA GLN A 27 7.685 -12.596 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.900 -11.099 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.400 -12.687 2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.330 -12.065 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.365 -12.698 0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.152 -13.701 -2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.603 -15.332 -1.620 1.00 0.00 H new ATOM 493 N LEU A 28 7.190 -10.484 2.763 1.00 0.00 N ATOM 494 CA LEU A 28 6.346 -10.219 3.924 1.00 0.00 C ATOM 495 C LEU A 28 4.885 -10.075 3.513 1.00 0.00 C ATOM 496 O LEU A 28 3.992 -10.635 4.151 1.00 0.00 O ATOM 497 CB LEU A 28 6.813 -8.950 4.639 1.00 0.00 C ATOM 498 CG LEU A 28 8.316 -8.842 4.901 1.00 0.00 C ATOM 499 CD1 LEU A 28 8.633 -7.569 5.670 1.00 0.00 C ATOM 500 CD2 LEU A 28 8.815 -10.064 5.659 1.00 0.00 C ATOM 0 H LEU A 28 7.854 -9.740 2.546 1.00 0.00 H new ATOM 0 HA LEU A 28 6.431 -11.066 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.505 -8.089 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.292 -8.882 5.594 1.00 0.00 H new ATOM 0 HG LEU A 28 8.831 -8.800 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.707 -7.509 5.847 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.312 -6.704 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.108 -7.580 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.886 -9.970 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.294 -10.138 6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.622 -10.961 5.070 1.00 0.00 H new ATOM 512 N PHE A 29 4.646 -9.324 2.443 1.00 0.00 N ATOM 513 CA PHE A 29 3.293 -9.108 1.946 1.00 0.00 C ATOM 514 C PHE A 29 2.728 -10.387 1.333 1.00 0.00 C ATOM 515 O PHE A 29 1.536 -10.672 1.451 1.00 0.00 O ATOM 516 CB PHE A 29 3.280 -7.984 0.910 1.00 0.00 C ATOM 517 CG PHE A 29 3.189 -6.612 1.515 1.00 0.00 C ATOM 518 CD1 PHE A 29 4.295 -6.030 2.116 1.00 0.00 C ATOM 519 CD2 PHE A 29 1.998 -5.904 1.484 1.00 0.00 C ATOM 520 CE1 PHE A 29 4.214 -4.768 2.673 1.00 0.00 C ATOM 521 CE2 PHE A 29 1.912 -4.642 2.040 1.00 0.00 C ATOM 522 CZ PHE A 29 3.021 -4.073 2.635 1.00 0.00 C ATOM 0 H PHE A 29 5.373 -8.854 1.903 1.00 0.00 H new ATOM 0 HA PHE A 29 2.665 -8.822 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.185 -8.047 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.436 -8.132 0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.230 -6.569 2.149 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.127 -6.344 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.083 -4.325 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.978 -4.101 2.009 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.955 -3.087 3.070 1.00 0.00 H new ATOM 532 N SER A 30 3.593 -11.153 0.676 1.00 0.00 N ATOM 533 CA SER A 30 3.181 -12.400 0.041 1.00 0.00 C ATOM 534 C SER A 30 2.564 -13.351 1.059 1.00 0.00 C ATOM 535 O SER A 30 1.607 -14.065 0.758 1.00 0.00 O ATOM 536 CB SER A 30 4.377 -13.068 -0.640 1.00 0.00 C ATOM 537 OG SER A 30 4.139 -14.450 -0.845 1.00 0.00 O ATOM 0 H SER A 30 4.583 -10.932 0.569 1.00 0.00 H new ATOM 0 HA SER A 30 2.428 -12.165 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.573 -12.583 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.269 -12.936 -0.028 1.00 0.00 H new ATOM 0 HG SER A 30 4.917 -14.854 -1.283 1.00 0.00 H new ATOM 543 N GLN A 31 3.119 -13.356 2.268 1.00 0.00 N ATOM 544 CA GLN A 31 2.623 -14.222 3.332 1.00 0.00 C ATOM 545 C GLN A 31 1.129 -14.009 3.553 1.00 0.00 C ATOM 546 O GLN A 31 0.404 -14.944 3.897 1.00 0.00 O ATOM 547 CB GLN A 31 3.386 -13.956 4.630 1.00 0.00 C ATOM 548 CG GLN A 31 4.856 -14.336 4.560 1.00 0.00 C ATOM 549 CD GLN A 31 5.418 -14.746 5.907 1.00 0.00 C ATOM 550 OE1 GLN A 31 5.042 -15.778 6.462 1.00 0.00 O ATOM 551 NE2 GLN A 31 6.325 -13.936 6.442 1.00 0.00 N ATOM 0 H GLN A 31 3.911 -12.771 2.534 1.00 0.00 H new ATOM 0 HA GLN A 31 2.783 -15.257 3.030 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.304 -12.898 4.880 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.914 -14.512 5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.982 -15.156 3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.427 -13.492 4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.608 -13.090 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.738 -14.160 7.347 1.00 0.00 H new ATOM 560 N ILE A 32 0.675 -12.776 3.356 1.00 0.00 N ATOM 561 CA ILE A 32 -0.732 -12.443 3.534 1.00 0.00 C ATOM 562 C ILE A 32 -1.543 -12.794 2.290 1.00 0.00 C ATOM 563 O ILE A 32 -2.551 -13.495 2.370 1.00 0.00 O ATOM 564 CB ILE A 32 -0.922 -10.948 3.850 1.00 0.00 C ATOM 565 CG1 ILE A 32 -0.171 -10.576 5.131 1.00 0.00 C ATOM 566 CG2 ILE A 32 -2.401 -10.617 3.982 1.00 0.00 C ATOM 567 CD1 ILE A 32 -0.006 -9.085 5.323 1.00 0.00 C ATOM 0 H ILE A 32 1.262 -11.991 3.073 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.090 -13.033 4.377 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.512 -10.363 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.704 -10.988 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.814 -11.043 5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.518 -9.557 4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.911 -10.849 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.835 -11.208 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.535 -8.895 6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.554 -8.670 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.988 -8.614 5.372 1.00 0.00 H new ATOM 579 N GLY A 33 -1.091 -12.303 1.139 1.00 0.00 N ATOM 580 CA GLY A 33 -1.785 -12.577 -0.106 1.00 0.00 C ATOM 581 C GLY A 33 -0.891 -12.406 -1.318 1.00 0.00 C ATOM 582 O GLY A 33 0.261 -11.984 -1.211 1.00 0.00 O ATOM 0 H GLY A 33 -0.258 -11.721 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.173 -13.595 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.643 -11.911 -0.194 1.00 0.00 H new ATOM 586 N PRO A 34 -1.422 -12.740 -2.503 1.00 0.00 N ATOM 587 CA PRO A 34 -0.680 -12.632 -3.762 1.00 0.00 C ATOM 588 C PRO A 34 -0.439 -11.182 -4.169 1.00 0.00 C ATOM 589 O PRO A 34 -1.374 -10.384 -4.241 1.00 0.00 O ATOM 590 CB PRO A 34 -1.595 -13.325 -4.774 1.00 0.00 C ATOM 591 CG PRO A 34 -2.962 -13.199 -4.197 1.00 0.00 C ATOM 592 CD PRO A 34 -2.788 -13.251 -2.705 1.00 0.00 C ATOM 0 HA PRO A 34 0.312 -13.077 -3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.533 -12.850 -5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.317 -14.370 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.430 -12.263 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.608 -14.006 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.527 -12.635 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.898 -14.266 -2.323 1.00 0.00 H new ATOM 600 N CYS A 35 0.819 -10.848 -4.435 1.00 0.00 N ATOM 601 CA CYS A 35 1.182 -9.493 -4.835 1.00 0.00 C ATOM 602 C CYS A 35 1.391 -9.409 -6.343 1.00 0.00 C ATOM 603 O CYS A 35 2.296 -10.038 -6.893 1.00 0.00 O ATOM 604 CB CYS A 35 2.452 -9.048 -4.107 1.00 0.00 C ATOM 605 SG CYS A 35 2.327 -9.101 -2.304 1.00 0.00 S ATOM 0 H CYS A 35 1.604 -11.497 -4.381 1.00 0.00 H new ATOM 0 HA CYS A 35 0.363 -8.828 -4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.280 -9.683 -4.422 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.696 -8.031 -4.414 1.00 0.00 H new ATOM 0 HG CYS A 35 1.122 -8.775 -1.943 1.00 0.00 H new ATOM 611 N LYS A 36 0.546 -8.628 -7.008 1.00 0.00 N ATOM 612 CA LYS A 36 0.635 -8.461 -8.455 1.00 0.00 C ATOM 613 C LYS A 36 2.019 -7.963 -8.860 1.00 0.00 C ATOM 614 O LYS A 36 2.662 -8.536 -9.739 1.00 0.00 O ATOM 615 CB LYS A 36 -0.435 -7.481 -8.942 1.00 0.00 C ATOM 616 CG LYS A 36 -0.833 -7.688 -10.394 1.00 0.00 C ATOM 617 CD LYS A 36 -2.277 -7.284 -10.638 1.00 0.00 C ATOM 618 CE LYS A 36 -2.568 -7.125 -12.122 1.00 0.00 C ATOM 619 NZ LYS A 36 -1.933 -5.899 -12.683 1.00 0.00 N ATOM 0 H LYS A 36 -0.208 -8.101 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 36 0.467 -9.433 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.320 -7.580 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.067 -6.463 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.177 -7.104 -11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.696 -8.735 -10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.943 -8.036 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.486 -6.346 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.204 -8.001 -12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.646 -7.080 -12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.351 -5.685 -13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.094 -5.099 -12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.911 -6.056 -12.791 1.00 0.00 H new ATOM 633 N SER A 37 2.471 -6.894 -8.213 1.00 0.00 N ATOM 634 CA SER A 37 3.778 -6.317 -8.508 1.00 0.00 C ATOM 635 C SER A 37 4.183 -5.312 -7.436 1.00 0.00 C ATOM 636 O SER A 37 3.332 -4.679 -6.809 1.00 0.00 O ATOM 637 CB SER A 37 3.761 -5.639 -9.879 1.00 0.00 C ATOM 638 OG SER A 37 5.050 -5.649 -10.469 1.00 0.00 O ATOM 0 H SER A 37 1.952 -6.409 -7.481 1.00 0.00 H new ATOM 0 HA SER A 37 4.510 -7.124 -8.519 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.055 -6.151 -10.533 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.413 -4.611 -9.776 1.00 0.00 H new ATOM 0 HG SER A 37 5.012 -5.211 -11.345 1.00 0.00 H new ATOM 644 N CYS A 38 5.488 -5.169 -7.229 1.00 0.00 N ATOM 645 CA CYS A 38 6.008 -4.241 -6.231 1.00 0.00 C ATOM 646 C CYS A 38 7.064 -3.325 -6.840 1.00 0.00 C ATOM 647 O CYS A 38 7.989 -3.785 -7.511 1.00 0.00 O ATOM 648 CB CYS A 38 6.599 -5.009 -5.049 1.00 0.00 C ATOM 649 SG CYS A 38 7.506 -3.975 -3.876 1.00 0.00 S ATOM 0 H CYS A 38 6.205 -5.684 -7.739 1.00 0.00 H new ATOM 0 HA CYS A 38 5.181 -3.626 -5.876 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.793 -5.518 -4.521 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.268 -5.781 -5.429 1.00 0.00 H new ATOM 0 HG CYS A 38 7.966 -4.715 -2.911 1.00 0.00 H new ATOM 655 N LYS A 39 6.922 -2.026 -6.602 1.00 0.00 N ATOM 656 CA LYS A 39 7.864 -1.043 -7.125 1.00 0.00 C ATOM 657 C LYS A 39 8.529 -0.269 -5.992 1.00 0.00 C ATOM 658 O LYS A 39 7.880 0.515 -5.299 1.00 0.00 O ATOM 659 CB LYS A 39 7.149 -0.074 -8.069 1.00 0.00 C ATOM 660 CG LYS A 39 7.918 1.213 -8.316 1.00 0.00 C ATOM 661 CD LYS A 39 7.631 1.778 -9.696 1.00 0.00 C ATOM 662 CE LYS A 39 6.142 2.011 -9.905 1.00 0.00 C ATOM 663 NZ LYS A 39 5.693 3.300 -9.309 1.00 0.00 N ATOM 0 H LYS A 39 6.162 -1.629 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 39 8.637 -1.576 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.974 -0.572 -9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.172 0.171 -7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.650 1.949 -7.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.987 1.025 -8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.169 2.717 -9.825 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.003 1.091 -10.456 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.920 2.008 -10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.580 1.190 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.769 3.563 -9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.609 3.195 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.387 4.043 -9.526 1.00 0.00 H new ATOM 677 N MET A 40 9.826 -0.492 -5.810 1.00 0.00 N ATOM 678 CA MET A 40 10.578 0.188 -4.762 1.00 0.00 C ATOM 679 C MET A 40 11.277 1.428 -5.311 1.00 0.00 C ATOM 680 O MET A 40 12.133 1.331 -6.191 1.00 0.00 O ATOM 681 CB MET A 40 11.609 -0.762 -4.147 1.00 0.00 C ATOM 682 CG MET A 40 12.651 -0.057 -3.293 1.00 0.00 C ATOM 683 SD MET A 40 13.658 -1.206 -2.337 1.00 0.00 S ATOM 684 CE MET A 40 12.609 -1.469 -0.909 1.00 0.00 C ATOM 0 H MET A 40 10.378 -1.138 -6.374 1.00 0.00 H new ATOM 0 HA MET A 40 9.875 0.501 -3.990 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.091 -1.502 -3.537 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.113 -1.305 -4.946 1.00 0.00 H new ATOM 0 HG2 MET A 40 13.298 0.540 -3.936 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.151 0.634 -2.614 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.213 -1.432 -0.002 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.846 -0.691 -0.869 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.129 -2.444 -0.985 1.00 0.00 H new ATOM 694 N ILE A 41 10.905 2.591 -4.787 1.00 0.00 N ATOM 695 CA ILE A 41 11.497 3.849 -5.225 1.00 0.00 C ATOM 696 C ILE A 41 12.325 4.484 -4.113 1.00 0.00 C ATOM 697 O ILE A 41 11.862 4.623 -2.980 1.00 0.00 O ATOM 698 CB ILE A 41 10.418 4.850 -5.681 1.00 0.00 C ATOM 699 CG1 ILE A 41 9.360 4.141 -6.530 1.00 0.00 C ATOM 700 CG2 ILE A 41 11.051 5.992 -6.460 1.00 0.00 C ATOM 701 CD1 ILE A 41 8.323 5.078 -7.108 1.00 0.00 C ATOM 0 H ILE A 41 10.197 2.688 -4.059 1.00 0.00 H new ATOM 0 HA ILE A 41 12.145 3.615 -6.069 1.00 0.00 H new ATOM 0 HB ILE A 41 9.931 5.264 -4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.854 3.612 -7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.859 3.390 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.276 6.691 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.771 6.510 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.561 5.595 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.606 4.507 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.802 5.589 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.813 5.814 -7.745 1.00 0.00 H new ATOM 810 N PRO A 49 13.014 5.815 1.887 1.00 0.00 N ATOM 811 CA PRO A 49 12.473 5.340 0.610 1.00 0.00 C ATOM 812 C PRO A 49 11.029 4.866 0.731 1.00 0.00 C ATOM 813 O PRO A 49 10.485 4.779 1.834 1.00 0.00 O ATOM 814 CB PRO A 49 13.392 4.170 0.248 1.00 0.00 C ATOM 815 CG PRO A 49 13.925 3.690 1.554 1.00 0.00 C ATOM 816 CD PRO A 49 14.041 4.908 2.427 1.00 0.00 C ATOM 0 HA PRO A 49 12.450 6.130 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.845 3.382 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.196 4.489 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.258 2.952 2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.894 3.208 1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 49 13.856 4.670 3.475 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.036 5.349 2.371 1.00 0.00 H new ATOM 824 N TYR A 50 10.414 4.559 -0.405 1.00 0.00 N ATOM 825 CA TYR A 50 9.032 4.094 -0.424 1.00 0.00 C ATOM 826 C TYR A 50 8.784 3.174 -1.616 1.00 0.00 C ATOM 827 O TYR A 50 9.349 3.368 -2.693 1.00 0.00 O ATOM 828 CB TYR A 50 8.073 5.285 -0.477 1.00 0.00 C ATOM 829 CG TYR A 50 8.067 6.000 -1.809 1.00 0.00 C ATOM 830 CD1 TYR A 50 7.256 5.566 -2.849 1.00 0.00 C ATOM 831 CD2 TYR A 50 8.873 7.111 -2.026 1.00 0.00 C ATOM 832 CE1 TYR A 50 7.247 6.216 -4.068 1.00 0.00 C ATOM 833 CE2 TYR A 50 8.872 7.768 -3.242 1.00 0.00 C ATOM 834 CZ TYR A 50 8.057 7.317 -4.259 1.00 0.00 C ATOM 835 OH TYR A 50 8.052 7.968 -5.472 1.00 0.00 O ATOM 0 H TYR A 50 10.850 4.624 -1.325 1.00 0.00 H new ATOM 0 HA TYR A 50 8.851 3.530 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.064 4.938 -0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.344 5.994 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.621 4.705 -2.702 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.511 7.467 -1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.610 5.865 -4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.506 8.629 -3.395 1.00 0.00 H new ATOM 0 HH TYR A 50 8.677 8.722 -5.441 1.00 0.00 H new ATOM 845 N CYS A 51 7.934 2.173 -1.414 1.00 0.00 N ATOM 846 CA CYS A 51 7.610 1.221 -2.470 1.00 0.00 C ATOM 847 C CYS A 51 6.102 1.018 -2.576 1.00 0.00 C ATOM 848 O CYS A 51 5.364 1.257 -1.618 1.00 0.00 O ATOM 849 CB CYS A 51 8.300 -0.118 -2.207 1.00 0.00 C ATOM 850 SG CYS A 51 7.440 -1.169 -1.012 1.00 0.00 S ATOM 0 H CYS A 51 7.457 2.000 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 51 7.970 1.628 -3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.393 -0.658 -3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.311 0.071 -1.847 1.00 0.00 H new ATOM 0 HG CYS A 51 8.134 -1.237 0.085 1.00 0.00 H new ATOM 856 N PHE A 52 5.649 0.579 -3.745 1.00 0.00 N ATOM 857 CA PHE A 52 4.228 0.347 -3.976 1.00 0.00 C ATOM 858 C PHE A 52 3.918 -1.147 -4.002 1.00 0.00 C ATOM 859 O PHE A 52 4.684 -1.943 -4.545 1.00 0.00 O ATOM 860 CB PHE A 52 3.792 0.992 -5.293 1.00 0.00 C ATOM 861 CG PHE A 52 3.946 2.486 -5.308 1.00 0.00 C ATOM 862 CD1 PHE A 52 3.345 3.268 -4.335 1.00 0.00 C ATOM 863 CD2 PHE A 52 4.693 3.108 -6.295 1.00 0.00 C ATOM 864 CE1 PHE A 52 3.485 4.643 -4.346 1.00 0.00 C ATOM 865 CE2 PHE A 52 4.838 4.484 -6.312 1.00 0.00 C ATOM 866 CZ PHE A 52 4.233 5.251 -5.336 1.00 0.00 C ATOM 0 H PHE A 52 6.245 0.377 -4.547 1.00 0.00 H new ATOM 0 HA PHE A 52 3.673 0.801 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.377 0.566 -6.108 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.749 0.740 -5.484 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.760 2.798 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.168 2.512 -7.060 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.011 5.241 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.423 4.957 -7.087 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.344 6.325 -5.346 1.00 0.00 H new ATOM 876 N VAL A 53 2.787 -1.521 -3.410 1.00 0.00 N ATOM 877 CA VAL A 53 2.375 -2.919 -3.365 1.00 0.00 C ATOM 878 C VAL A 53 0.967 -3.094 -3.922 1.00 0.00 C ATOM 879 O VAL A 53 -0.004 -2.605 -3.345 1.00 0.00 O ATOM 880 CB VAL A 53 2.419 -3.471 -1.928 1.00 0.00 C ATOM 881 CG1 VAL A 53 1.767 -4.843 -1.862 1.00 0.00 C ATOM 882 CG2 VAL A 53 3.853 -3.529 -1.423 1.00 0.00 C ATOM 0 H VAL A 53 2.141 -0.876 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 53 3.079 -3.477 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 53 1.857 -2.797 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.808 -5.216 -0.839 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.727 -4.767 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.298 -5.530 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.865 -3.921 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.441 -4.180 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.282 -2.527 -1.430 1.00 0.00 H new ATOM 892 N GLU A 54 0.864 -3.795 -5.046 1.00 0.00 N ATOM 893 CA GLU A 54 -0.427 -4.035 -5.682 1.00 0.00 C ATOM 894 C GLU A 54 -0.842 -5.496 -5.536 1.00 0.00 C ATOM 895 O GLU A 54 -0.035 -6.405 -5.734 1.00 0.00 O ATOM 896 CB GLU A 54 -0.370 -3.654 -7.162 1.00 0.00 C ATOM 897 CG GLU A 54 -1.733 -3.606 -7.831 1.00 0.00 C ATOM 898 CD GLU A 54 -1.705 -2.878 -9.161 1.00 0.00 C ATOM 899 OE1 GLU A 54 -0.628 -2.837 -9.792 1.00 0.00 O ATOM 900 OE2 GLU A 54 -2.759 -2.347 -9.570 1.00 0.00 O ATOM 0 H GLU A 54 1.658 -4.207 -5.536 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.170 -3.413 -5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.108 -2.679 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.259 -4.371 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.094 -4.623 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.443 -3.113 -7.166 1.00 0.00 H new ATOM 907 N PHE A 55 -2.106 -5.714 -5.189 1.00 0.00 N ATOM 908 CA PHE A 55 -2.630 -7.064 -5.015 1.00 0.00 C ATOM 909 C PHE A 55 -3.639 -7.400 -6.108 1.00 0.00 C ATOM 910 O PHE A 55 -4.155 -6.512 -6.787 1.00 0.00 O ATOM 911 CB PHE A 55 -3.285 -7.206 -3.639 1.00 0.00 C ATOM 912 CG PHE A 55 -2.304 -7.472 -2.533 1.00 0.00 C ATOM 913 CD1 PHE A 55 -1.628 -6.428 -1.923 1.00 0.00 C ATOM 914 CD2 PHE A 55 -2.059 -8.767 -2.103 1.00 0.00 C ATOM 915 CE1 PHE A 55 -0.725 -6.670 -0.906 1.00 0.00 C ATOM 916 CE2 PHE A 55 -1.156 -9.014 -1.086 1.00 0.00 C ATOM 917 CZ PHE A 55 -0.490 -7.965 -0.486 1.00 0.00 C ATOM 0 H PHE A 55 -2.787 -4.973 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.797 -7.763 -5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.837 -6.294 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.011 -8.018 -3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.809 -5.413 -2.246 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.579 -9.592 -2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.203 -5.847 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.972 -10.027 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.214 -8.156 0.311 1.00 0.00 H new ATOM 927 N TYR A 56 -3.915 -8.690 -6.273 1.00 0.00 N ATOM 928 CA TYR A 56 -4.859 -9.145 -7.286 1.00 0.00 C ATOM 929 C TYR A 56 -6.297 -8.887 -6.846 1.00 0.00 C ATOM 930 O TYR A 56 -7.141 -8.494 -7.650 1.00 0.00 O ATOM 931 CB TYR A 56 -4.660 -10.636 -7.565 1.00 0.00 C ATOM 932 CG TYR A 56 -3.358 -10.952 -8.267 1.00 0.00 C ATOM 933 CD1 TYR A 56 -2.169 -11.049 -7.556 1.00 0.00 C ATOM 934 CD2 TYR A 56 -3.318 -11.153 -9.642 1.00 0.00 C ATOM 935 CE1 TYR A 56 -0.978 -11.338 -8.193 1.00 0.00 C ATOM 936 CE2 TYR A 56 -2.132 -11.443 -10.287 1.00 0.00 C ATOM 937 CZ TYR A 56 -0.964 -11.533 -9.558 1.00 0.00 C ATOM 938 OH TYR A 56 0.221 -11.821 -10.196 1.00 0.00 O ATOM 0 H TYR A 56 -3.498 -9.438 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.671 -8.582 -8.200 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.696 -11.182 -6.622 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.489 -10.997 -8.174 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.176 -10.896 -6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.230 -11.081 -10.216 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.062 -11.411 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.119 -11.598 -11.356 1.00 0.00 H new ATOM 0 HH TYR A 56 0.057 -11.930 -11.156 1.00 0.00 H new ATOM 948 N GLU A 57 -6.566 -9.110 -5.563 1.00 0.00 N ATOM 949 CA GLU A 57 -7.901 -8.902 -5.015 1.00 0.00 C ATOM 950 C GLU A 57 -7.910 -7.732 -4.036 1.00 0.00 C ATOM 951 O GLU A 57 -6.878 -7.372 -3.471 1.00 0.00 O ATOM 952 CB GLU A 57 -8.392 -10.171 -4.315 1.00 0.00 C ATOM 953 CG GLU A 57 -8.297 -11.417 -5.178 1.00 0.00 C ATOM 954 CD GLU A 57 -9.513 -11.608 -6.064 1.00 0.00 C ATOM 955 OE1 GLU A 57 -9.906 -10.639 -6.747 1.00 0.00 O ATOM 956 OE2 GLU A 57 -10.072 -12.726 -6.073 1.00 0.00 O ATOM 0 H GLU A 57 -5.877 -9.435 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.573 -8.668 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.809 -10.323 -3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.429 -10.029 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.405 -11.356 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.179 -12.290 -4.537 1.00 0.00 H new ATOM 963 N HIS A 58 -9.085 -7.140 -3.842 1.00 0.00 N ATOM 964 CA HIS A 58 -9.230 -6.010 -2.932 1.00 0.00 C ATOM 965 C HIS A 58 -9.136 -6.467 -1.479 1.00 0.00 C ATOM 966 O HIS A 58 -8.592 -5.760 -0.630 1.00 0.00 O ATOM 967 CB HIS A 58 -10.565 -5.303 -3.171 1.00 0.00 C ATOM 968 CG HIS A 58 -10.943 -4.351 -2.078 1.00 0.00 C ATOM 969 ND1 HIS A 58 -10.243 -3.193 -1.813 1.00 0.00 N ATOM 970 CD2 HIS A 58 -11.956 -4.389 -1.182 1.00 0.00 C ATOM 971 CE1 HIS A 58 -10.808 -2.561 -0.801 1.00 0.00 C ATOM 972 NE2 HIS A 58 -11.850 -3.266 -0.399 1.00 0.00 N ATOM 0 H HIS A 58 -9.949 -7.424 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.417 -5.311 -3.128 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -10.515 -4.759 -4.114 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -11.350 -6.052 -3.277 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -9.417 -2.874 -2.320 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.708 -5.159 -1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.475 -1.626 -0.374 1.00 0.00 H new ATOM 980 N ARG A 59 -9.670 -7.651 -1.201 1.00 0.00 N ATOM 981 CA ARG A 59 -9.647 -8.201 0.150 1.00 0.00 C ATOM 982 C ARG A 59 -8.214 -8.382 0.639 1.00 0.00 C ATOM 983 O ARG A 59 -7.898 -8.087 1.792 1.00 0.00 O ATOM 984 CB ARG A 59 -10.384 -9.541 0.190 1.00 0.00 C ATOM 985 CG ARG A 59 -9.832 -10.570 -0.782 1.00 0.00 C ATOM 986 CD ARG A 59 -10.761 -11.765 -0.915 1.00 0.00 C ATOM 987 NE ARG A 59 -12.039 -11.401 -1.522 1.00 0.00 N ATOM 988 CZ ARG A 59 -12.937 -12.289 -1.933 1.00 0.00 C ATOM 989 NH1 ARG A 59 -12.698 -13.587 -1.804 1.00 0.00 N ATOM 990 NH2 ARG A 59 -14.077 -11.880 -2.475 1.00 0.00 N ATOM 0 H ARG A 59 -10.124 -8.248 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.152 -7.496 0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.332 -9.944 1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.438 -9.373 -0.032 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.689 -10.109 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.853 -10.905 -0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.279 -12.533 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.938 -12.198 0.070 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.253 -10.410 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.823 -13.906 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.389 -14.267 -2.120 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.265 -10.883 -2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.766 -12.563 -2.790 1.00 0.00 H new ATOM 1004 N ASP A 60 -7.349 -8.869 -0.244 1.00 0.00 N ATOM 1005 CA ASP A 60 -5.949 -9.090 0.097 1.00 0.00 C ATOM 1006 C ASP A 60 -5.243 -7.767 0.378 1.00 0.00 C ATOM 1007 O ASP A 60 -4.522 -7.634 1.367 1.00 0.00 O ATOM 1008 CB ASP A 60 -5.237 -9.832 -1.035 1.00 0.00 C ATOM 1009 CG ASP A 60 -5.803 -11.219 -1.265 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -6.486 -11.738 -0.358 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -5.563 -11.785 -2.352 1.00 0.00 O ATOM 0 H ASP A 60 -7.593 -9.118 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.912 -9.700 1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.320 -9.252 -1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.175 -9.910 -0.802 1.00 0.00 H new ATOM 1016 N ALA A 61 -5.456 -6.790 -0.498 1.00 0.00 N ATOM 1017 CA ALA A 61 -4.842 -5.478 -0.343 1.00 0.00 C ATOM 1018 C ALA A 61 -5.204 -4.857 1.002 1.00 0.00 C ATOM 1019 O ALA A 61 -4.349 -4.299 1.689 1.00 0.00 O ATOM 1020 CB ALA A 61 -5.264 -4.560 -1.481 1.00 0.00 C ATOM 0 H ALA A 61 -6.049 -6.883 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.760 -5.605 -0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.798 -3.583 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.949 -4.990 -2.432 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.348 -4.448 -1.475 1.00 0.00 H new ATOM 1026 N ALA A 62 -6.477 -4.958 1.370 1.00 0.00 N ATOM 1027 CA ALA A 62 -6.952 -4.407 2.634 1.00 0.00 C ATOM 1028 C ALA A 62 -6.389 -5.185 3.819 1.00 0.00 C ATOM 1029 O ALA A 62 -6.011 -4.602 4.833 1.00 0.00 O ATOM 1030 CB ALA A 62 -8.473 -4.411 2.673 1.00 0.00 C ATOM 0 H ALA A 62 -7.197 -5.416 0.812 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.600 -3.378 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.814 -3.997 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.860 -3.805 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.837 -5.433 2.572 1.00 0.00 H new ATOM 1036 N ALA A 63 -6.337 -6.507 3.681 1.00 0.00 N ATOM 1037 CA ALA A 63 -5.819 -7.364 4.740 1.00 0.00 C ATOM 1038 C ALA A 63 -4.337 -7.100 4.985 1.00 0.00 C ATOM 1039 O ALA A 63 -3.903 -6.954 6.127 1.00 0.00 O ATOM 1040 CB ALA A 63 -6.045 -8.828 4.391 1.00 0.00 C ATOM 0 H ALA A 63 -6.647 -7.006 2.847 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.359 -7.132 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.653 -9.457 5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.113 -9.013 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.531 -9.063 3.459 1.00 0.00 H new ATOM 1046 N ALA A 64 -3.565 -7.042 3.905 1.00 0.00 N ATOM 1047 CA ALA A 64 -2.132 -6.793 4.003 1.00 0.00 C ATOM 1048 C ALA A 64 -1.851 -5.355 4.426 1.00 0.00 C ATOM 1049 O ALA A 64 -0.883 -5.084 5.136 1.00 0.00 O ATOM 1050 CB ALA A 64 -1.451 -7.098 2.677 1.00 0.00 C ATOM 0 H ALA A 64 -3.908 -7.164 2.952 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.726 -7.454 4.768 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.381 -6.908 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.613 -8.144 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.870 -6.461 1.898 1.00 0.00 H new ATOM 1056 N LEU A 65 -2.703 -4.436 3.984 1.00 0.00 N ATOM 1057 CA LEU A 65 -2.547 -3.025 4.316 1.00 0.00 C ATOM 1058 C LEU A 65 -2.587 -2.813 5.825 1.00 0.00 C ATOM 1059 O LEU A 65 -1.705 -2.173 6.396 1.00 0.00 O ATOM 1060 CB LEU A 65 -3.643 -2.197 3.643 1.00 0.00 C ATOM 1061 CG LEU A 65 -3.871 -0.797 4.212 1.00 0.00 C ATOM 1062 CD1 LEU A 65 -2.829 0.173 3.676 1.00 0.00 C ATOM 1063 CD2 LEU A 65 -5.274 -0.309 3.881 1.00 0.00 C ATOM 0 H LEU A 65 -3.509 -4.644 3.395 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.575 -2.696 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.401 -2.102 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.580 -2.751 3.707 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.770 -0.846 5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.007 1.165 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.834 -0.167 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.898 0.218 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.419 0.689 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.402 -0.276 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.007 -0.990 4.313 1.00 0.00 H new ATOM 1075 N ALA A 66 -3.617 -3.356 6.466 1.00 0.00 N ATOM 1076 CA ALA A 66 -3.771 -3.230 7.911 1.00 0.00 C ATOM 1077 C ALA A 66 -2.689 -4.011 8.648 1.00 0.00 C ATOM 1078 O ALA A 66 -2.129 -3.535 9.634 1.00 0.00 O ATOM 1079 CB ALA A 66 -5.152 -3.706 8.337 1.00 0.00 C ATOM 0 H ALA A 66 -4.357 -3.887 6.008 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.664 -2.177 8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.254 -3.607 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.913 -3.102 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.280 -4.751 8.055 1.00 0.00 H new ATOM 1085 N ALA A 67 -2.401 -5.215 8.163 1.00 0.00 N ATOM 1086 CA ALA A 67 -1.385 -6.062 8.776 1.00 0.00 C ATOM 1087 C ALA A 67 -0.004 -5.423 8.676 1.00 0.00 C ATOM 1088 O ALA A 67 0.798 -5.508 9.606 1.00 0.00 O ATOM 1089 CB ALA A 67 -1.380 -7.436 8.125 1.00 0.00 C ATOM 0 H ALA A 67 -2.857 -5.625 7.348 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.630 -6.173 9.832 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.616 -8.057 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.357 -7.903 8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.163 -7.334 7.062 1.00 0.00 H new ATOM 1095 N MET A 68 0.267 -4.783 7.545 1.00 0.00 N ATOM 1096 CA MET A 68 1.551 -4.129 7.324 1.00 0.00 C ATOM 1097 C MET A 68 1.506 -2.674 7.782 1.00 0.00 C ATOM 1098 O MET A 68 2.540 -2.067 8.056 1.00 0.00 O ATOM 1099 CB MET A 68 1.937 -4.199 5.846 1.00 0.00 C ATOM 1100 CG MET A 68 1.986 -5.614 5.297 1.00 0.00 C ATOM 1101 SD MET A 68 3.295 -6.605 6.044 1.00 0.00 S ATOM 1102 CE MET A 68 4.674 -5.466 5.953 1.00 0.00 C ATOM 0 H MET A 68 -0.386 -4.703 6.766 1.00 0.00 H new ATOM 0 HA MET A 68 2.303 -4.654 7.913 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.222 -3.617 5.264 1.00 0.00 H new ATOM 0 HB3 MET A 68 2.913 -3.732 5.711 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.025 -6.100 5.469 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.136 -5.576 4.218 1.00 0.00 H new ATOM 0 HE1 MET A 68 5.596 -6.023 5.784 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.516 -4.768 5.131 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.751 -4.912 6.889 1.00 0.00 H new ATOM 1112 N ASN A 69 0.300 -2.121 7.862 1.00 0.00 N ATOM 1113 CA ASN A 69 0.120 -0.737 8.285 1.00 0.00 C ATOM 1114 C ASN A 69 0.878 -0.462 9.580 1.00 0.00 C ATOM 1115 O ASN A 69 0.496 -0.938 10.649 1.00 0.00 O ATOM 1116 CB ASN A 69 -1.366 -0.429 8.476 1.00 0.00 C ATOM 1117 CG ASN A 69 -1.601 0.686 9.477 1.00 0.00 C ATOM 1118 OD1 ASN A 69 -2.053 0.444 10.597 1.00 0.00 O ATOM 1119 ND2 ASN A 69 -1.296 1.915 9.077 1.00 0.00 N ATOM 0 H ASN A 69 -0.567 -2.610 7.639 1.00 0.00 H new ATOM 0 HA ASN A 69 0.521 -0.090 7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.803 -0.151 7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.881 -1.329 8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.434 2.705 9.707 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.924 2.069 8.140 1.00 0.00 H new ATOM 1126 N GLY A 70 1.956 0.311 9.477 1.00 0.00 N ATOM 1127 CA GLY A 70 2.751 0.637 10.647 1.00 0.00 C ATOM 1128 C GLY A 70 3.372 -0.590 11.285 1.00 0.00 C ATOM 1129 O GLY A 70 3.597 -0.621 12.495 1.00 0.00 O ATOM 0 H GLY A 70 2.293 0.717 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.540 1.334 10.364 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.123 1.145 11.379 1.00 0.00 H new ATOM 1133 N ARG A 71 3.649 -1.602 10.471 1.00 0.00 N ATOM 1134 CA ARG A 71 4.245 -2.839 10.964 1.00 0.00 C ATOM 1135 C ARG A 71 5.755 -2.685 11.130 1.00 0.00 C ATOM 1136 O ARG A 71 6.396 -1.925 10.405 1.00 0.00 O ATOM 1137 CB ARG A 71 3.942 -3.993 10.008 1.00 0.00 C ATOM 1138 CG ARG A 71 4.110 -5.365 10.639 1.00 0.00 C ATOM 1139 CD ARG A 71 5.519 -5.901 10.441 1.00 0.00 C ATOM 1140 NE ARG A 71 5.824 -6.993 11.361 1.00 0.00 N ATOM 1141 CZ ARG A 71 6.813 -7.859 11.172 1.00 0.00 C ATOM 1142 NH1 ARG A 71 7.589 -7.760 10.101 1.00 0.00 N ATOM 1143 NH2 ARG A 71 7.029 -8.826 12.055 1.00 0.00 N ATOM 0 H ARG A 71 3.471 -1.591 9.467 1.00 0.00 H new ATOM 0 HA ARG A 71 3.809 -3.060 11.938 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.920 -3.893 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.599 -3.918 9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.889 -5.306 11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.391 -6.058 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.633 -6.249 9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.237 -5.094 10.586 1.00 0.00 H new ATOM 0 HE ARG A 71 5.246 -7.096 12.195 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.427 -7.018 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.348 -8.426 9.958 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.435 -8.905 12.880 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.789 -9.490 11.908 1.00 0.00 H new ATOM 1157 N LYS A 72 6.315 -3.411 12.090 1.00 0.00 N ATOM 1158 CA LYS A 72 7.749 -3.359 12.353 1.00 0.00 C ATOM 1159 C LYS A 72 8.512 -4.262 11.390 1.00 0.00 C ATOM 1160 O LYS A 72 8.272 -5.469 11.336 1.00 0.00 O ATOM 1161 CB LYS A 72 8.039 -3.772 13.797 1.00 0.00 C ATOM 1162 CG LYS A 72 7.947 -2.626 14.788 1.00 0.00 C ATOM 1163 CD LYS A 72 9.288 -1.934 14.969 1.00 0.00 C ATOM 1164 CE LYS A 72 9.557 -0.940 13.849 1.00 0.00 C ATOM 1165 NZ LYS A 72 10.396 0.201 14.308 1.00 0.00 N ATOM 0 H LYS A 72 5.798 -4.044 12.700 1.00 0.00 H new ATOM 0 HA LYS A 72 8.084 -2.333 12.202 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.337 -4.552 14.091 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.038 -4.206 13.848 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.208 -1.903 14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.599 -3.003 15.750 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.305 -1.417 15.928 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.083 -2.679 14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.056 -1.449 13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.610 -0.562 13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.004 1.091 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.403 0.231 15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.368 0.080 13.959 1.00 0.00 H new ATOM 1179 N ILE A 73 9.432 -3.672 10.635 1.00 0.00 N ATOM 1180 CA ILE A 73 10.231 -4.426 9.677 1.00 0.00 C ATOM 1181 C ILE A 73 11.704 -4.038 9.764 1.00 0.00 C ATOM 1182 O ILE A 73 12.070 -2.887 9.521 1.00 0.00 O ATOM 1183 CB ILE A 73 9.739 -4.203 8.234 1.00 0.00 C ATOM 1184 CG1 ILE A 73 8.326 -4.763 8.062 1.00 0.00 C ATOM 1185 CG2 ILE A 73 10.694 -4.850 7.243 1.00 0.00 C ATOM 1186 CD1 ILE A 73 7.664 -4.349 6.767 1.00 0.00 C ATOM 0 H ILE A 73 9.643 -2.675 10.668 1.00 0.00 H new ATOM 0 HA ILE A 73 10.118 -5.480 9.933 1.00 0.00 H new ATOM 0 HB ILE A 73 9.712 -3.131 8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.368 -5.851 8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.709 -4.432 8.898 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.333 -4.684 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.685 -4.410 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.750 -5.921 7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.665 -4.783 6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.590 -3.262 6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.259 -4.703 5.925 1.00 0.00 H new ATOM 1198 N LEU A 74 12.544 -5.006 10.112 1.00 0.00 N ATOM 1199 CA LEU A 74 13.979 -4.768 10.231 1.00 0.00 C ATOM 1200 C LEU A 74 14.271 -3.726 11.306 1.00 0.00 C ATOM 1201 O LEU A 74 15.257 -2.993 11.224 1.00 0.00 O ATOM 1202 CB LEU A 74 14.552 -4.307 8.889 1.00 0.00 C ATOM 1203 CG LEU A 74 14.405 -5.287 7.725 1.00 0.00 C ATOM 1204 CD1 LEU A 74 15.020 -4.708 6.459 1.00 0.00 C ATOM 1205 CD2 LEU A 74 15.046 -6.624 8.069 1.00 0.00 C ATOM 0 H LEU A 74 12.257 -5.963 10.317 1.00 0.00 H new ATOM 0 HA LEU A 74 14.455 -5.705 10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.068 -3.370 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.612 -4.091 9.024 1.00 0.00 H new ATOM 0 HG LEU A 74 13.343 -5.452 7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.906 -5.419 5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.516 -3.776 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.079 -4.513 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.932 -7.309 7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.106 -6.477 8.276 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.560 -7.045 8.949 1.00 0.00 H new ATOM 1217 N GLY A 75 13.408 -3.667 12.315 1.00 0.00 N ATOM 1218 CA GLY A 75 13.592 -2.713 13.394 1.00 0.00 C ATOM 1219 C GLY A 75 13.020 -1.349 13.065 1.00 0.00 C ATOM 1220 O GLY A 75 13.023 -0.447 13.903 1.00 0.00 O ATOM 0 H GLY A 75 12.585 -4.262 12.405 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.116 -3.095 14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.656 -2.615 13.611 1.00 0.00 H new ATOM 1224 N LYS A 76 12.529 -1.194 11.840 1.00 0.00 N ATOM 1225 CA LYS A 76 11.951 0.071 11.401 1.00 0.00 C ATOM 1226 C LYS A 76 10.470 -0.094 11.071 1.00 0.00 C ATOM 1227 O LYS A 76 10.093 -0.961 10.285 1.00 0.00 O ATOM 1228 CB LYS A 76 12.701 0.599 10.176 1.00 0.00 C ATOM 1229 CG LYS A 76 12.266 1.991 9.751 1.00 0.00 C ATOM 1230 CD LYS A 76 13.384 2.729 9.033 1.00 0.00 C ATOM 1231 CE LYS A 76 14.363 3.351 10.017 1.00 0.00 C ATOM 1232 NZ LYS A 76 15.482 4.046 9.322 1.00 0.00 N ATOM 0 H LYS A 76 12.520 -1.929 11.133 1.00 0.00 H new ATOM 0 HA LYS A 76 12.047 0.789 12.216 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.769 0.611 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.552 -0.089 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.398 1.918 9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.957 2.560 10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.915 2.039 8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.959 3.508 8.399 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.835 4.060 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.766 2.575 10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.127 4.456 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.001 3.364 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.100 4.803 8.720 1.00 0.00 H new ATOM 1246 N GLU A 77 9.638 0.748 11.676 1.00 0.00 N ATOM 1247 CA GLU A 77 8.199 0.696 11.445 1.00 0.00 C ATOM 1248 C GLU A 77 7.844 1.295 10.087 1.00 0.00 C ATOM 1249 O GLU A 77 8.115 2.466 9.823 1.00 0.00 O ATOM 1250 CB GLU A 77 7.454 1.441 12.554 1.00 0.00 C ATOM 1251 CG GLU A 77 6.069 0.885 12.837 1.00 0.00 C ATOM 1252 CD GLU A 77 5.192 1.863 13.595 1.00 0.00 C ATOM 1253 OE1 GLU A 77 5.548 2.215 14.740 1.00 0.00 O ATOM 1254 OE2 GLU A 77 4.150 2.275 13.045 1.00 0.00 O ATOM 0 H GLU A 77 9.935 1.473 12.329 1.00 0.00 H new ATOM 0 HA GLU A 77 7.894 -0.350 11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.046 1.401 13.468 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.365 2.492 12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.586 0.625 11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.162 -0.036 13.413 1.00 0.00 H new ATOM 1261 N VAL A 78 7.234 0.482 9.229 1.00 0.00 N ATOM 1262 CA VAL A 78 6.842 0.932 7.899 1.00 0.00 C ATOM 1263 C VAL A 78 5.379 1.361 7.874 1.00 0.00 C ATOM 1264 O VAL A 78 4.521 0.720 8.481 1.00 0.00 O ATOM 1265 CB VAL A 78 7.058 -0.173 6.847 1.00 0.00 C ATOM 1266 CG1 VAL A 78 8.355 -0.921 7.118 1.00 0.00 C ATOM 1267 CG2 VAL A 78 5.876 -1.129 6.827 1.00 0.00 C ATOM 0 H VAL A 78 7.001 -0.490 9.432 1.00 0.00 H new ATOM 0 HA VAL A 78 7.473 1.786 7.654 1.00 0.00 H new ATOM 0 HB VAL A 78 7.134 0.294 5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.491 -1.698 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.192 -0.224 7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.312 -1.378 8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.046 -1.903 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.765 -1.592 7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.968 -0.579 6.581 1.00 0.00 H new ATOM 1277 N LYS A 79 5.100 2.451 7.168 1.00 0.00 N ATOM 1278 CA LYS A 79 3.741 2.968 7.061 1.00 0.00 C ATOM 1279 C LYS A 79 3.092 2.526 5.753 1.00 0.00 C ATOM 1280 O LYS A 79 3.629 2.763 4.672 1.00 0.00 O ATOM 1281 CB LYS A 79 3.745 4.495 7.149 1.00 0.00 C ATOM 1282 CG LYS A 79 4.632 5.163 6.113 1.00 0.00 C ATOM 1283 CD LYS A 79 4.535 6.677 6.186 1.00 0.00 C ATOM 1284 CE LYS A 79 3.130 7.161 5.862 1.00 0.00 C ATOM 1285 NZ LYS A 79 3.093 8.627 5.606 1.00 0.00 N ATOM 0 H LYS A 79 5.798 2.994 6.660 1.00 0.00 H new ATOM 0 HA LYS A 79 3.160 2.564 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.725 4.860 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.076 4.792 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.667 4.856 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.345 4.827 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.816 7.013 7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.244 7.122 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.756 6.630 4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.463 6.920 6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.118 8.917 5.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.426 9.135 6.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.709 8.854 4.800 1.00 0.00 H new ATOM 1299 N VAL A 80 1.933 1.882 5.860 1.00 0.00 N ATOM 1300 CA VAL A 80 1.210 1.410 4.686 1.00 0.00 C ATOM 1301 C VAL A 80 -0.185 2.021 4.617 1.00 0.00 C ATOM 1302 O VAL A 80 -0.940 1.980 5.587 1.00 0.00 O ATOM 1303 CB VAL A 80 1.087 -0.125 4.684 1.00 0.00 C ATOM 1304 CG1 VAL A 80 0.563 -0.617 3.343 1.00 0.00 C ATOM 1305 CG2 VAL A 80 2.427 -0.767 5.009 1.00 0.00 C ATOM 0 H VAL A 80 1.476 1.676 6.748 1.00 0.00 H new ATOM 0 HA VAL A 80 1.783 1.723 3.813 1.00 0.00 H new ATOM 0 HB VAL A 80 0.374 -0.416 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.483 -1.704 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.419 -0.184 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.250 -0.317 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.322 -1.852 5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.163 -0.470 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.758 -0.440 5.995 1.00 0.00 H new ATOM 1315 N ASN A 81 -0.521 2.587 3.463 1.00 0.00 N ATOM 1316 CA ASN A 81 -1.827 3.207 3.266 1.00 0.00 C ATOM 1317 C ASN A 81 -2.304 3.027 1.829 1.00 0.00 C ATOM 1318 O ASN A 81 -1.522 2.681 0.943 1.00 0.00 O ATOM 1319 CB ASN A 81 -1.763 4.697 3.610 1.00 0.00 C ATOM 1320 CG ASN A 81 -1.983 4.958 5.089 1.00 0.00 C ATOM 1321 OD1 ASN A 81 -1.037 5.225 5.830 1.00 0.00 O ATOM 1322 ND2 ASN A 81 -3.235 4.882 5.524 1.00 0.00 N ATOM 0 H ASN A 81 0.093 2.629 2.649 1.00 0.00 H new ATOM 0 HA ASN A 81 -2.538 2.716 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.792 5.094 3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.516 5.233 3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.444 5.048 6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.988 4.658 4.874 1.00 0.00 H new ATOM 1329 N TRP A 82 -3.592 3.262 1.605 1.00 0.00 N ATOM 1330 CA TRP A 82 -4.174 3.126 0.275 1.00 0.00 C ATOM 1331 C TRP A 82 -3.562 4.132 -0.693 1.00 0.00 C ATOM 1332 O TRP A 82 -3.665 5.342 -0.492 1.00 0.00 O ATOM 1333 CB TRP A 82 -5.691 3.316 0.337 1.00 0.00 C ATOM 1334 CG TRP A 82 -6.400 2.203 1.048 1.00 0.00 C ATOM 1335 CD1 TRP A 82 -6.910 2.233 2.314 1.00 0.00 C ATOM 1336 CD2 TRP A 82 -6.675 0.896 0.533 1.00 0.00 C ATOM 1337 NE1 TRP A 82 -7.486 1.023 2.618 1.00 0.00 N ATOM 1338 CE2 TRP A 82 -7.356 0.186 1.542 1.00 0.00 C ATOM 1339 CE3 TRP A 82 -6.415 0.257 -0.682 1.00 0.00 C ATOM 1340 CZ2 TRP A 82 -7.778 -1.130 1.370 1.00 0.00 C ATOM 1341 CZ3 TRP A 82 -6.834 -1.049 -0.851 1.00 0.00 C ATOM 1342 CH2 TRP A 82 -7.509 -1.731 0.171 1.00 0.00 C ATOM 0 H TRP A 82 -4.253 3.548 2.327 1.00 0.00 H new ATOM 0 HA TRP A 82 -3.956 2.122 -0.088 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.912 4.258 0.840 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.082 3.397 -0.677 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -6.867 3.083 2.979 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -7.937 0.787 3.502 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.896 0.775 -1.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.299 -1.657 2.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -6.638 -1.553 -1.786 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.823 -2.751 0.008 1.00 0.00 H new ATOM 1353 N ALA A 83 -2.925 3.626 -1.743 1.00 0.00 N ATOM 1354 CA ALA A 83 -2.299 4.481 -2.743 1.00 0.00 C ATOM 1355 C ALA A 83 -3.306 4.917 -3.802 1.00 0.00 C ATOM 1356 O ALA A 83 -4.033 4.092 -4.358 1.00 0.00 O ATOM 1357 CB ALA A 83 -1.125 3.763 -3.392 1.00 0.00 C ATOM 0 H ALA A 83 -2.829 2.627 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.931 5.375 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.667 4.414 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.388 3.509 -2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.478 2.851 -3.874 1.00 0.00 H new