USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 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 -11:sc= 0.972 USER MOD Set 1.2: A 22 THR OG1 : rot -39:sc= 0.0984 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.0961 F(o=-0.34,f=1.2) USER MOD Single : A 16 SER OG : rot -55:sc= 0.0228 USER MOD Single : A 18 LYS NZ :NH3+ -103:sc= -1.17 (180deg=-3.32!) 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= -8.43! C(o=-8.4!,f=-8.3!) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0407) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 41 GLN : amide:sc= -0.0967 X(o=-0.097,f=-0.097) USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.285 F(o=-1.3,f=-0.29) USER MOD Single : A 49 ASN : amide:sc= -0.802 K(o=-0.8,f=-6.5!) USER MOD Single : A 51 GLN : amide:sc= -0.17 K(o=-0.17,f=-0.75) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.924 F(o=-3.5!,f=-0.92) USER MOD Single : A 62 GLN : amide:sc= -2.33! C(o=-2.3!,f=-7.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0623 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+ -154:sc= -0.204 (180deg=-0.874) USER MOD Single : A 73 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.3) USER MOD Single : A 74 THR OG1 : rot -156:sc= 0.884 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 1.941 -13.158 11.235 1.00 0.00 N ATOM 160 CA LEU A 14 1.970 -12.733 9.840 1.00 0.00 C ATOM 161 C LEU A 14 1.033 -11.550 9.613 1.00 0.00 C ATOM 162 O LEU A 14 1.364 -10.616 8.882 1.00 0.00 O ATOM 163 CB LEU A 14 1.575 -13.893 8.925 1.00 0.00 C ATOM 164 CG LEU A 14 2.552 -15.068 8.873 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.910 -16.265 8.188 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.833 -14.666 8.158 1.00 0.00 C ATOM 0 HA LEU A 14 2.986 -12.420 9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.603 -14.268 9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.449 -13.506 7.914 1.00 0.00 H new ATOM 0 HG LEU A 14 2.804 -15.351 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.620 -17.092 8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.022 -16.568 8.742 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.628 -15.994 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.516 -15.515 8.131 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.599 -14.355 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.303 -13.839 8.691 1.00 0.00 H new ATOM 178 N ARG A 15 -0.135 -11.596 10.246 1.00 0.00 N ATOM 179 CA ARG A 15 -1.118 -10.528 10.112 1.00 0.00 C ATOM 180 C ARG A 15 -0.631 -9.252 10.793 1.00 0.00 C ATOM 181 O ARG A 15 -1.177 -8.172 10.574 1.00 0.00 O ATOM 182 CB ARG A 15 -2.456 -10.960 10.714 1.00 0.00 C ATOM 183 CG ARG A 15 -2.467 -10.969 12.234 1.00 0.00 C ATOM 184 CD ARG A 15 -3.830 -11.366 12.780 1.00 0.00 C ATOM 185 NE ARG A 15 -3.921 -11.163 14.223 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.228 -9.998 14.783 1.00 0.00 C ATOM 187 NH1 ARG A 15 -4.471 -8.937 14.025 1.00 0.00 N ATOM 188 NH2 ARG A 15 -4.292 -9.892 16.105 1.00 0.00 N ATOM 0 H ARG A 15 -0.423 -12.361 10.856 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.253 -10.324 9.050 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.238 -10.290 10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.702 -11.958 10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.711 -11.664 12.600 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.199 -9.980 12.607 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.604 -10.782 12.282 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.022 -12.414 12.548 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.739 -11.959 14.834 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.422 -9.014 13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.706 -8.044 14.458 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.105 -10.705 16.691 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.528 -8.997 16.534 1.00 0.00 H new ATOM 202 N SER A 16 0.401 -9.387 11.621 1.00 0.00 N ATOM 203 CA SER A 16 0.959 -8.246 12.338 1.00 0.00 C ATOM 204 C SER A 16 2.171 -7.683 11.603 1.00 0.00 C ATOM 205 O SER A 16 3.102 -7.165 12.222 1.00 0.00 O ATOM 206 CB SER A 16 1.353 -8.653 13.759 1.00 0.00 C ATOM 207 OG SER A 16 1.405 -7.527 14.616 1.00 0.00 O ATOM 0 H SER A 16 0.867 -10.274 11.812 1.00 0.00 H new ATOM 0 HA SER A 16 0.195 -7.471 12.389 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.635 -9.376 14.146 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.325 -9.147 13.743 1.00 0.00 H new ATOM 0 HG SER A 16 2.015 -6.858 14.241 1.00 0.00 H new ATOM 213 N PHE A 17 2.154 -7.789 10.279 1.00 0.00 N ATOM 214 CA PHE A 17 3.251 -7.293 9.457 1.00 0.00 C ATOM 215 C PHE A 17 2.932 -5.908 8.901 1.00 0.00 C ATOM 216 O PHE A 17 1.981 -5.736 8.138 1.00 0.00 O ATOM 217 CB PHE A 17 3.536 -8.262 8.308 1.00 0.00 C ATOM 218 CG PHE A 17 4.259 -7.628 7.154 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.561 -6.925 6.185 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.635 -7.734 7.039 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.224 -6.342 5.121 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.303 -7.152 5.978 1.00 0.00 C ATOM 223 CZ PHE A 17 5.597 -6.454 5.018 1.00 0.00 C ATOM 0 H PHE A 17 1.392 -8.215 9.752 1.00 0.00 H new ATOM 0 HA PHE A 17 4.137 -7.217 10.087 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.130 -9.095 8.685 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.593 -8.678 7.952 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.488 -6.832 6.262 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.193 -8.278 7.787 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.669 -5.799 4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.376 -7.243 5.900 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.117 -5.997 4.189 1.00 0.00 H new ATOM 233 N LYS A 18 3.732 -4.921 9.291 1.00 0.00 N ATOM 234 CA LYS A 18 3.537 -3.551 8.833 1.00 0.00 C ATOM 235 C LYS A 18 4.601 -3.162 7.813 1.00 0.00 C ATOM 236 O LYS A 18 5.796 -3.177 8.110 1.00 0.00 O ATOM 237 CB LYS A 18 3.575 -2.584 10.020 1.00 0.00 C ATOM 238 CG LYS A 18 3.405 -1.128 9.624 1.00 0.00 C ATOM 239 CD LYS A 18 3.034 -0.265 10.818 1.00 0.00 C ATOM 240 CE LYS A 18 1.568 -0.429 11.190 1.00 0.00 C ATOM 241 NZ LYS A 18 1.351 -1.588 12.098 1.00 0.00 N ATOM 0 H LYS A 18 4.522 -5.045 9.924 1.00 0.00 H new ATOM 0 HA LYS A 18 2.560 -3.490 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.788 -2.855 10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.524 -2.701 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.331 -0.760 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.632 -1.046 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.659 -0.533 11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.238 0.781 10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.212 0.481 11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.977 -0.562 10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.956 -2.384 11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.258 -1.873 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.687 -1.319 12.852 1.00 0.00 H new ATOM 255 N LEU A 19 4.160 -2.811 6.610 1.00 0.00 N ATOM 256 CA LEU A 19 5.075 -2.415 5.545 1.00 0.00 C ATOM 257 C LEU A 19 4.988 -0.916 5.280 1.00 0.00 C ATOM 258 O LEU A 19 3.936 -0.304 5.466 1.00 0.00 O ATOM 259 CB LEU A 19 4.763 -3.190 4.263 1.00 0.00 C ATOM 260 CG LEU A 19 5.421 -2.668 2.985 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.884 -3.080 2.931 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.676 -3.173 1.758 1.00 0.00 C ATOM 0 H LEU A 19 3.175 -2.793 6.348 1.00 0.00 H new ATOM 0 HA LEU A 19 6.090 -2.649 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.067 -4.227 4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.683 -3.191 4.117 1.00 0.00 H new ATOM 0 HG LEU A 19 5.372 -1.579 2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.336 -2.700 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.410 -2.669 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.957 -4.167 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.158 -2.792 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.693 -4.263 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.643 -2.826 1.791 1.00 0.00 H new ATOM 274 N SER A 20 6.098 -0.331 4.843 1.00 0.00 N ATOM 275 CA SER A 20 6.148 1.097 4.555 1.00 0.00 C ATOM 276 C SER A 20 6.631 1.347 3.129 1.00 0.00 C ATOM 277 O SER A 20 7.759 1.008 2.775 1.00 0.00 O ATOM 278 CB SER A 20 7.068 1.809 5.548 1.00 0.00 C ATOM 279 OG SER A 20 8.400 1.852 5.069 1.00 0.00 O ATOM 0 H SER A 20 6.976 -0.825 4.680 1.00 0.00 H new ATOM 0 HA SER A 20 5.139 1.497 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.707 2.823 5.720 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.040 1.294 6.508 1.00 0.00 H new ATOM 0 HG SER A 20 8.488 1.259 4.294 1.00 0.00 H new ATOM 285 N VAL A 21 5.766 1.943 2.314 1.00 0.00 N ATOM 286 CA VAL A 21 6.103 2.240 0.927 1.00 0.00 C ATOM 287 C VAL A 21 6.698 3.637 0.793 1.00 0.00 C ATOM 288 O VAL A 21 6.085 4.626 1.195 1.00 0.00 O ATOM 289 CB VAL A 21 4.868 2.130 0.013 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.290 1.965 -1.439 1.00 0.00 C ATOM 291 CG2 VAL A 21 3.981 0.975 0.453 1.00 0.00 C ATOM 0 H VAL A 21 4.827 2.229 2.591 1.00 0.00 H new ATOM 0 HA VAL A 21 6.842 1.502 0.616 1.00 0.00 H new ATOM 0 HB VAL A 21 4.293 3.052 0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.404 1.889 -2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.881 2.828 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.888 1.060 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.113 0.912 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.544 0.043 0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.649 1.141 1.478 1.00 0.00 H new ATOM 301 N THR A 22 7.897 3.711 0.223 1.00 0.00 N ATOM 302 CA THR A 22 8.575 4.988 0.036 1.00 0.00 C ATOM 303 C THR A 22 8.146 5.653 -1.266 1.00 0.00 C ATOM 304 O THR A 22 8.756 5.444 -2.314 1.00 0.00 O ATOM 305 CB THR A 22 10.106 4.813 0.028 1.00 0.00 C ATOM 306 OG1 THR A 22 10.512 3.997 1.132 1.00 0.00 O ATOM 307 CG2 THR A 22 10.805 6.163 0.107 1.00 0.00 C ATOM 0 H THR A 22 8.418 2.903 -0.117 1.00 0.00 H new ATOM 0 HA THR A 22 8.292 5.623 0.876 1.00 0.00 H new ATOM 0 HB THR A 22 10.389 4.328 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.982 4.229 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.885 6.015 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.517 6.773 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.514 6.670 1.027 1.00 0.00 H new ATOM 315 N VAL A 23 7.090 6.459 -1.193 1.00 0.00 N ATOM 316 CA VAL A 23 6.578 7.157 -2.366 1.00 0.00 C ATOM 317 C VAL A 23 6.212 8.599 -2.030 1.00 0.00 C ATOM 318 O VAL A 23 5.528 8.862 -1.040 1.00 0.00 O ATOM 319 CB VAL A 23 5.343 6.448 -2.948 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.821 7.195 -4.165 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.674 5.005 -3.300 1.00 0.00 C ATOM 0 H VAL A 23 6.573 6.644 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 23 7.374 7.150 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 23 4.559 6.443 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.948 6.678 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.543 8.209 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.598 7.234 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.789 4.518 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.475 4.985 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.996 4.476 -2.403 1.00 0.00 H new ATOM 331 N ASP A 24 6.671 9.529 -2.860 1.00 0.00 N ATOM 332 CA ASP A 24 6.389 10.945 -2.652 1.00 0.00 C ATOM 333 C ASP A 24 4.944 11.153 -2.210 1.00 0.00 C ATOM 334 O ASP A 24 4.022 10.489 -2.685 1.00 0.00 O ATOM 335 CB ASP A 24 6.662 11.734 -3.934 1.00 0.00 C ATOM 336 CG ASP A 24 7.102 13.158 -3.655 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.105 13.337 -2.933 1.00 0.00 O ATOM 338 OD2 ASP A 24 6.445 14.091 -4.159 1.00 0.00 O ATOM 0 H ASP A 24 7.240 9.328 -3.683 1.00 0.00 H new ATOM 0 HA ASP A 24 7.047 11.309 -1.863 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.433 11.225 -4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.761 11.749 -4.547 1.00 0.00 H new ATOM 343 N PRO A 25 4.740 12.095 -1.277 1.00 0.00 N ATOM 344 CA PRO A 25 3.409 12.411 -0.750 1.00 0.00 C ATOM 345 C PRO A 25 2.527 13.104 -1.782 1.00 0.00 C ATOM 346 O PRO A 25 1.365 13.414 -1.514 1.00 0.00 O ATOM 347 CB PRO A 25 3.707 13.355 0.418 1.00 0.00 C ATOM 348 CG PRO A 25 5.019 13.974 0.081 1.00 0.00 C ATOM 349 CD PRO A 25 5.793 12.924 -0.667 1.00 0.00 C ATOM 0 HA PRO A 25 2.860 11.514 -0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.929 14.111 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.756 12.813 1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.884 14.867 -0.529 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.549 14.281 0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.444 13.366 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.428 12.341 0.000 1.00 0.00 H new ATOM 357 N LYS A 26 3.083 13.342 -2.965 1.00 0.00 N ATOM 358 CA LYS A 26 2.345 13.996 -4.040 1.00 0.00 C ATOM 359 C LYS A 26 1.460 12.997 -4.778 1.00 0.00 C ATOM 360 O LYS A 26 0.353 13.329 -5.203 1.00 0.00 O ATOM 361 CB LYS A 26 3.315 14.659 -5.022 1.00 0.00 C ATOM 362 CG LYS A 26 3.762 13.742 -6.147 1.00 0.00 C ATOM 363 CD LYS A 26 4.567 14.495 -7.192 1.00 0.00 C ATOM 364 CE LYS A 26 3.665 15.269 -8.140 1.00 0.00 C ATOM 365 NZ LYS A 26 4.360 15.613 -9.411 1.00 0.00 N ATOM 0 H LYS A 26 4.043 13.092 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 26 1.707 14.761 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.839 15.541 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.193 15.005 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.363 12.930 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.889 13.288 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.253 15.183 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.175 13.792 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.777 14.677 -8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.326 16.183 -7.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.711 16.140 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.193 16.199 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.662 14.740 -9.889 1.00 0.00 H new ATOM 379 N TYR A 27 1.955 11.773 -4.928 1.00 0.00 N ATOM 380 CA TYR A 27 1.209 10.727 -5.616 1.00 0.00 C ATOM 381 C TYR A 27 0.218 10.053 -4.673 1.00 0.00 C ATOM 382 O TYR A 27 -0.706 9.367 -5.110 1.00 0.00 O ATOM 383 CB TYR A 27 2.169 9.685 -6.194 1.00 0.00 C ATOM 384 CG TYR A 27 3.233 10.274 -7.092 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.931 11.297 -7.984 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.541 9.809 -7.049 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.901 11.837 -8.805 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.517 10.343 -7.866 1.00 0.00 C ATOM 389 CZ TYR A 27 5.192 11.357 -8.744 1.00 0.00 C ATOM 390 OH TYR A 27 6.161 11.894 -9.560 1.00 0.00 O ATOM 0 H TYR A 27 2.869 11.482 -4.582 1.00 0.00 H new ATOM 0 HA TYR A 27 0.650 11.190 -6.430 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.651 9.153 -5.374 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.596 8.949 -6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.921 11.676 -8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.799 9.015 -6.364 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.650 12.632 -9.492 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.529 9.969 -7.818 1.00 0.00 H new ATOM 0 HH TYR A 27 7.016 11.445 -9.392 1.00 0.00 H new ATOM 400 N HIS A 28 0.417 10.255 -3.373 1.00 0.00 N ATOM 401 CA HIS A 28 -0.460 9.669 -2.366 1.00 0.00 C ATOM 402 C HIS A 28 -1.926 9.903 -2.718 1.00 0.00 C ATOM 403 O HIS A 28 -2.703 8.967 -2.900 1.00 0.00 O ATOM 404 CB HIS A 28 -0.153 10.258 -0.989 1.00 0.00 C ATOM 405 CG HIS A 28 0.821 9.446 -0.193 1.00 0.00 C ATOM 406 ND1 HIS A 28 0.918 9.520 1.181 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.744 8.537 -0.585 1.00 0.00 C ATOM 408 CE1 HIS A 28 1.859 8.694 1.599 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.377 8.084 0.547 1.00 0.00 N ATOM 0 H HIS A 28 1.177 10.819 -2.994 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.279 8.594 -2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.244 11.265 -1.114 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.082 10.349 -0.427 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.351 10.120 1.781 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.945 8.226 -1.599 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.155 8.542 2.626 1.00 0.00 H new ATOM 417 N PRO A 29 -2.314 11.184 -2.817 1.00 0.00 N ATOM 418 CA PRO A 29 -3.688 11.571 -3.148 1.00 0.00 C ATOM 419 C PRO A 29 -4.049 11.247 -4.594 1.00 0.00 C ATOM 420 O PRO A 29 -5.200 11.394 -5.005 1.00 0.00 O ATOM 421 CB PRO A 29 -3.695 13.085 -2.922 1.00 0.00 C ATOM 422 CG PRO A 29 -2.277 13.501 -3.105 1.00 0.00 C ATOM 423 CD PRO A 29 -1.440 12.351 -2.614 1.00 0.00 C ATOM 0 HA PRO A 29 -4.419 11.033 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.350 13.588 -3.633 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.055 13.335 -1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.066 13.718 -4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.061 14.409 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.511 12.261 -3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.167 12.471 -1.566 1.00 0.00 H new ATOM 431 N LYS A 30 -3.059 10.805 -5.362 1.00 0.00 N ATOM 432 CA LYS A 30 -3.272 10.459 -6.762 1.00 0.00 C ATOM 433 C LYS A 30 -3.572 8.971 -6.915 1.00 0.00 C ATOM 434 O LYS A 30 -4.141 8.544 -7.920 1.00 0.00 O ATOM 435 CB LYS A 30 -2.042 10.830 -7.594 1.00 0.00 C ATOM 436 CG LYS A 30 -1.799 12.328 -7.686 1.00 0.00 C ATOM 437 CD LYS A 30 -2.731 12.982 -8.692 1.00 0.00 C ATOM 438 CE LYS A 30 -2.856 14.478 -8.445 1.00 0.00 C ATOM 439 NZ LYS A 30 -1.542 15.170 -8.563 1.00 0.00 N ATOM 0 H LYS A 30 -2.100 10.678 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.131 11.024 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.163 10.354 -7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.159 10.427 -8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.944 12.782 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.764 12.513 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.358 12.809 -9.701 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.716 12.519 -8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.558 14.907 -9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.269 14.649 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.683 16.198 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.912 14.851 -7.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.112 14.945 -9.483 1.00 0.00 H new ATOM 453 N ILE A 31 -3.186 8.189 -5.912 1.00 0.00 N ATOM 454 CA ILE A 31 -3.417 6.750 -5.935 1.00 0.00 C ATOM 455 C ILE A 31 -4.804 6.407 -5.404 1.00 0.00 C ATOM 456 O ILE A 31 -5.472 5.507 -5.916 1.00 0.00 O ATOM 457 CB ILE A 31 -2.360 5.998 -5.105 1.00 0.00 C ATOM 458 CG1 ILE A 31 -0.955 6.311 -5.623 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.624 4.500 -5.145 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.112 6.243 -4.553 1.00 0.00 C ATOM 0 H ILE A 31 -2.712 8.527 -5.074 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.342 6.434 -6.976 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.427 6.332 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.705 5.609 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.953 7.308 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.869 3.982 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.612 4.294 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.580 4.150 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.082 6.476 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.114 6.964 -3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.138 5.240 -4.128 1.00 0.00 H new ATOM 472 N ILE A 32 -5.233 7.130 -4.374 1.00 0.00 N ATOM 473 CA ILE A 32 -6.542 6.903 -3.775 1.00 0.00 C ATOM 474 C ILE A 32 -7.640 6.910 -4.834 1.00 0.00 C ATOM 475 O ILE A 32 -8.368 5.931 -4.995 1.00 0.00 O ATOM 476 CB ILE A 32 -6.865 7.967 -2.710 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.916 7.832 -1.517 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.313 7.842 -2.258 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.933 9.028 -0.592 1.00 0.00 C ATOM 0 H ILE A 32 -4.693 7.877 -3.938 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.506 5.923 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.726 8.954 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.183 6.941 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.901 7.683 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.526 8.601 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.974 7.983 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.477 6.852 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.237 8.862 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.636 9.920 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.938 9.166 -0.194 1.00 0.00 H new ATOM 491 N GLY A 33 -7.752 8.022 -5.555 1.00 0.00 N ATOM 492 CA GLY A 33 -8.761 8.135 -6.591 1.00 0.00 C ATOM 493 C GLY A 33 -9.795 9.198 -6.279 1.00 0.00 C ATOM 494 O GLY A 33 -9.742 9.836 -5.227 1.00 0.00 O ATOM 0 H GLY A 33 -7.162 8.846 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.278 8.369 -7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.259 7.173 -6.715 1.00 0.00 H new ATOM 498 N ARG A 34 -10.739 9.391 -7.195 1.00 0.00 N ATOM 499 CA ARG A 34 -11.788 10.387 -7.012 1.00 0.00 C ATOM 500 C ARG A 34 -12.589 10.107 -5.745 1.00 0.00 C ATOM 501 O ARG A 34 -12.583 10.902 -4.804 1.00 0.00 O ATOM 502 CB ARG A 34 -12.721 10.403 -8.225 1.00 0.00 C ATOM 503 CG ARG A 34 -12.075 10.960 -9.483 1.00 0.00 C ATOM 504 CD ARG A 34 -13.119 11.371 -10.509 1.00 0.00 C ATOM 505 NE ARG A 34 -12.630 12.421 -11.399 1.00 0.00 N ATOM 506 CZ ARG A 34 -11.797 12.199 -12.411 1.00 0.00 C ATOM 507 NH1 ARG A 34 -11.365 10.970 -12.659 1.00 0.00 N ATOM 508 NH2 ARG A 34 -11.396 13.206 -13.175 1.00 0.00 N ATOM 0 H ARG A 34 -10.799 8.871 -8.071 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.314 11.364 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -13.064 9.387 -8.422 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.603 10.997 -7.986 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.457 11.820 -9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.413 10.210 -9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.409 10.502 -11.099 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.015 11.720 -9.995 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.945 13.377 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.672 10.194 -12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.726 10.801 -13.436 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.727 14.152 -12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.757 13.034 -13.951 1.00 0.00 H new ATOM 522 N LYS A 35 -13.278 8.972 -5.725 1.00 0.00 N ATOM 523 CA LYS A 35 -14.084 8.585 -4.573 1.00 0.00 C ATOM 524 C LYS A 35 -13.319 7.621 -3.672 1.00 0.00 C ATOM 525 O LYS A 35 -13.788 7.258 -2.594 1.00 0.00 O ATOM 526 CB LYS A 35 -15.393 7.938 -5.035 1.00 0.00 C ATOM 527 CG LYS A 35 -15.204 6.575 -5.677 1.00 0.00 C ATOM 528 CD LYS A 35 -16.448 6.137 -6.431 1.00 0.00 C ATOM 529 CE LYS A 35 -16.099 5.242 -7.611 1.00 0.00 C ATOM 530 NZ LYS A 35 -17.172 5.242 -8.644 1.00 0.00 N ATOM 0 H LYS A 35 -13.295 8.303 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.312 9.485 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.061 7.838 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.885 8.601 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.356 6.608 -6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.965 5.840 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.116 5.604 -5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.987 7.015 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.164 5.579 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.934 4.224 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.896 4.621 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.058 4.896 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.312 6.209 -8.999 1.00 0.00 H new ATOM 544 N GLY A 36 -12.136 7.211 -4.122 1.00 0.00 N ATOM 545 CA GLY A 36 -11.325 6.294 -3.342 1.00 0.00 C ATOM 546 C GLY A 36 -11.629 4.842 -3.654 1.00 0.00 C ATOM 547 O GLY A 36 -11.335 3.954 -2.854 1.00 0.00 O ATOM 0 H GLY A 36 -11.726 7.497 -5.011 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.271 6.491 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.493 6.477 -2.281 1.00 0.00 H new ATOM 551 N ALA A 37 -12.221 4.600 -4.819 1.00 0.00 N ATOM 552 CA ALA A 37 -12.565 3.245 -5.233 1.00 0.00 C ATOM 553 C ALA A 37 -11.351 2.522 -5.807 1.00 0.00 C ATOM 554 O ALA A 37 -11.289 1.292 -5.801 1.00 0.00 O ATOM 555 CB ALA A 37 -13.694 3.276 -6.253 1.00 0.00 C ATOM 0 H ALA A 37 -12.472 5.324 -5.492 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.900 2.696 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.941 2.258 -6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.572 3.746 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.379 3.846 -7.127 1.00 0.00 H new ATOM 561 N VAL A 38 -10.389 3.292 -6.303 1.00 0.00 N ATOM 562 CA VAL A 38 -9.177 2.724 -6.881 1.00 0.00 C ATOM 563 C VAL A 38 -8.370 1.968 -5.831 1.00 0.00 C ATOM 564 O VAL A 38 -8.023 0.803 -6.022 1.00 0.00 O ATOM 565 CB VAL A 38 -8.289 3.816 -7.507 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.032 3.204 -8.106 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.064 4.596 -8.557 1.00 0.00 C ATOM 0 H VAL A 38 -10.425 4.311 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.492 2.031 -7.661 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.988 4.509 -6.721 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.417 3.991 -8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.468 2.694 -7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.309 2.488 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.421 5.363 -8.989 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.397 3.917 -9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.931 5.068 -8.094 1.00 0.00 H new ATOM 577 N ILE A 39 -8.076 2.640 -4.723 1.00 0.00 N ATOM 578 CA ILE A 39 -7.311 2.030 -3.642 1.00 0.00 C ATOM 579 C ILE A 39 -8.073 0.865 -3.019 1.00 0.00 C ATOM 580 O ILE A 39 -7.495 -0.180 -2.718 1.00 0.00 O ATOM 581 CB ILE A 39 -6.974 3.055 -2.543 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.075 2.419 -1.480 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.249 3.595 -1.913 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.637 2.260 -1.921 1.00 0.00 C ATOM 0 H ILE A 39 -8.355 3.606 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.384 1.662 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.436 3.887 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.104 3.030 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.476 1.440 -1.215 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.994 4.318 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.855 4.081 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.813 2.773 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.059 1.803 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.596 1.624 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.219 3.238 -2.158 1.00 0.00 H new ATOM 596 N THR A 40 -9.375 1.052 -2.828 1.00 0.00 N ATOM 597 CA THR A 40 -10.218 0.017 -2.241 1.00 0.00 C ATOM 598 C THR A 40 -10.135 -1.278 -3.040 1.00 0.00 C ATOM 599 O THR A 40 -9.991 -2.360 -2.472 1.00 0.00 O ATOM 600 CB THR A 40 -11.689 0.467 -2.164 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.779 1.735 -1.506 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.530 -0.559 -1.420 1.00 0.00 C ATOM 0 H THR A 40 -9.869 1.911 -3.071 1.00 0.00 H new ATOM 0 HA THR A 40 -9.847 -0.158 -1.231 1.00 0.00 H new ATOM 0 HB THR A 40 -12.073 0.558 -3.180 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.727 2.453 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.565 -0.220 -1.378 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.482 -1.515 -1.941 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.146 -0.678 -0.407 1.00 0.00 H new ATOM 610 N GLN A 41 -10.227 -1.160 -4.361 1.00 0.00 N ATOM 611 CA GLN A 41 -10.162 -2.323 -5.238 1.00 0.00 C ATOM 612 C GLN A 41 -8.821 -3.035 -5.100 1.00 0.00 C ATOM 613 O GLN A 41 -8.729 -4.249 -5.283 1.00 0.00 O ATOM 614 CB GLN A 41 -10.383 -1.905 -6.692 1.00 0.00 C ATOM 615 CG GLN A 41 -10.422 -3.074 -7.663 1.00 0.00 C ATOM 616 CD GLN A 41 -11.523 -4.065 -7.339 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.707 -3.730 -7.385 1.00 0.00 O ATOM 618 NE2 GLN A 41 -11.138 -5.292 -7.010 1.00 0.00 N ATOM 0 H GLN A 41 -10.347 -0.271 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.952 -3.014 -4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.320 -1.353 -6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.587 -1.223 -6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.565 -2.696 -8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.460 -3.587 -7.647 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.145 -5.526 -6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.835 -6.001 -6.782 1.00 0.00 H new ATOM 627 N ILE A 42 -7.782 -2.272 -4.776 1.00 0.00 N ATOM 628 CA ILE A 42 -6.445 -2.831 -4.613 1.00 0.00 C ATOM 629 C ILE A 42 -6.297 -3.511 -3.256 1.00 0.00 C ATOM 630 O ILE A 42 -5.585 -4.508 -3.125 1.00 0.00 O ATOM 631 CB ILE A 42 -5.361 -1.747 -4.752 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.421 -1.110 -6.142 1.00 0.00 C ATOM 633 CG2 ILE A 42 -3.984 -2.338 -4.493 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.780 0.258 -6.209 1.00 0.00 C ATOM 0 H ILE A 42 -7.840 -1.265 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.312 -3.569 -5.404 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.547 -0.971 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.927 -1.769 -6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.463 -1.029 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.229 -1.559 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.948 -2.748 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.787 -3.131 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.860 0.648 -7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.289 0.932 -5.520 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.729 0.181 -5.932 1.00 0.00 H new ATOM 646 N ARG A 43 -6.974 -2.969 -2.250 1.00 0.00 N ATOM 647 CA ARG A 43 -6.917 -3.525 -0.904 1.00 0.00 C ATOM 648 C ARG A 43 -7.594 -4.891 -0.850 1.00 0.00 C ATOM 649 O ARG A 43 -7.007 -5.868 -0.383 1.00 0.00 O ATOM 650 CB ARG A 43 -7.585 -2.574 0.091 1.00 0.00 C ATOM 651 CG ARG A 43 -6.731 -1.369 0.451 1.00 0.00 C ATOM 652 CD ARG A 43 -7.559 -0.274 1.103 1.00 0.00 C ATOM 653 NE ARG A 43 -8.049 -0.668 2.421 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.893 0.063 3.141 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.337 1.220 2.673 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.293 -0.365 4.331 1.00 0.00 N ATOM 0 H ARG A 43 -7.569 -2.145 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.868 -3.648 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.529 -2.227 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.824 -3.124 1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.934 -1.676 1.128 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.253 -0.979 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.956 0.629 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.405 -0.028 0.461 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.725 -1.553 2.810 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.031 1.551 1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.985 1.780 3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.953 -1.256 4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.941 0.196 4.884 1.00 0.00 H new ATOM 670 N LEU A 44 -8.830 -4.952 -1.331 1.00 0.00 N ATOM 671 CA LEU A 44 -9.588 -6.200 -1.338 1.00 0.00 C ATOM 672 C LEU A 44 -8.911 -7.242 -2.221 1.00 0.00 C ATOM 673 O LEU A 44 -8.806 -8.411 -1.849 1.00 0.00 O ATOM 674 CB LEU A 44 -11.015 -5.949 -1.827 1.00 0.00 C ATOM 675 CG LEU A 44 -11.912 -5.135 -0.893 1.00 0.00 C ATOM 676 CD1 LEU A 44 -12.956 -4.369 -1.690 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.579 -6.043 0.130 1.00 0.00 C ATOM 0 H LEU A 44 -9.330 -4.153 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.622 -6.582 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.964 -5.436 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.491 -6.913 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.291 -4.415 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.585 -3.796 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.459 -3.690 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.574 -5.071 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.213 -5.447 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.187 -6.787 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.815 -6.546 0.723 1.00 0.00 H new ATOM 689 N GLU A 45 -8.450 -6.811 -3.391 1.00 0.00 N ATOM 690 CA GLU A 45 -7.781 -7.708 -4.326 1.00 0.00 C ATOM 691 C GLU A 45 -6.685 -8.505 -3.627 1.00 0.00 C ATOM 692 O GLU A 45 -6.438 -9.666 -3.955 1.00 0.00 O ATOM 693 CB GLU A 45 -7.188 -6.915 -5.492 1.00 0.00 C ATOM 694 CG GLU A 45 -6.611 -7.790 -6.592 1.00 0.00 C ATOM 695 CD GLU A 45 -7.682 -8.519 -7.381 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.681 -7.875 -7.761 1.00 0.00 O ATOM 697 OE2 GLU A 45 -7.519 -9.735 -7.616 1.00 0.00 O ATOM 0 H GLU A 45 -8.528 -5.847 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.522 -8.407 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.962 -6.276 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.405 -6.259 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.022 -7.173 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.930 -8.519 -6.152 1.00 0.00 H new ATOM 704 N HIS A 46 -6.028 -7.872 -2.660 1.00 0.00 N ATOM 705 CA HIS A 46 -4.957 -8.520 -1.912 1.00 0.00 C ATOM 706 C HIS A 46 -5.399 -8.829 -0.485 1.00 0.00 C ATOM 707 O HIS A 46 -4.649 -9.417 0.295 1.00 0.00 O ATOM 708 CB HIS A 46 -3.711 -7.634 -1.892 1.00 0.00 C ATOM 709 CG HIS A 46 -3.199 -7.289 -3.256 1.00 0.00 C ATOM 710 ND1 HIS A 46 -3.163 -6.108 -3.917 1.00 0.00 N flip ATOM 711 CD2 HIS A 46 -2.642 -8.219 -4.108 1.00 0.00 C flip ATOM 712 CE1 HIS A 46 -2.590 -6.343 -5.142 1.00 0.00 C flip ATOM 713 NE2 HIS A 46 -2.283 -7.624 -5.232 1.00 0.00 N flip ATOM 0 H HIS A 46 -6.219 -6.911 -2.376 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.718 -9.459 -2.410 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.939 -6.713 -1.355 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.923 -8.141 -1.335 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -3.499 -5.210 -3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.518 -9.270 -3.891 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.418 -5.601 -5.908 1.00 0.00 H new ATOM 721 N ASP A 47 -6.620 -8.429 -0.150 1.00 0.00 N ATOM 722 CA ASP A 47 -7.162 -8.662 1.184 1.00 0.00 C ATOM 723 C ASP A 47 -6.276 -8.026 2.250 1.00 0.00 C ATOM 724 O ASP A 47 -6.090 -8.586 3.331 1.00 0.00 O ATOM 725 CB ASP A 47 -7.301 -10.162 1.445 1.00 0.00 C ATOM 726 CG ASP A 47 -7.832 -10.913 0.240 1.00 0.00 C ATOM 727 OD1 ASP A 47 -7.012 -11.352 -0.594 1.00 0.00 O ATOM 728 OD2 ASP A 47 -9.067 -11.061 0.130 1.00 0.00 O ATOM 0 H ASP A 47 -7.254 -7.942 -0.783 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.148 -8.199 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.330 -10.571 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.969 -10.320 2.291 1.00 0.00 H new ATOM 733 N VAL A 48 -5.729 -6.856 1.937 1.00 0.00 N ATOM 734 CA VAL A 48 -4.862 -6.144 2.869 1.00 0.00 C ATOM 735 C VAL A 48 -5.420 -4.763 3.193 1.00 0.00 C ATOM 736 O VAL A 48 -6.403 -4.325 2.600 1.00 0.00 O ATOM 737 CB VAL A 48 -3.437 -5.991 2.303 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.772 -7.351 2.154 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.469 -5.256 0.972 1.00 0.00 C ATOM 0 H VAL A 48 -5.871 -6.381 1.046 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.821 -6.739 3.782 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.848 -5.400 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.767 -7.222 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.715 -7.837 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.357 -7.970 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.454 -5.157 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.074 -5.818 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.902 -4.266 1.114 1.00 0.00 H new ATOM 749 N ASN A 49 -4.783 -4.082 4.142 1.00 0.00 N ATOM 750 CA ASN A 49 -5.216 -2.750 4.545 1.00 0.00 C ATOM 751 C ASN A 49 -4.167 -1.703 4.182 1.00 0.00 C ATOM 752 O ASN A 49 -3.048 -1.727 4.696 1.00 0.00 O ATOM 753 CB ASN A 49 -5.487 -2.714 6.051 1.00 0.00 C ATOM 754 CG ASN A 49 -6.424 -1.588 6.443 1.00 0.00 C ATOM 755 OD1 ASN A 49 -7.267 -1.162 5.652 1.00 0.00 O ATOM 756 ND2 ASN A 49 -6.282 -1.099 7.668 1.00 0.00 N ATOM 0 H ASN A 49 -3.967 -4.431 4.645 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.137 -2.517 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.917 -3.666 6.363 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.543 -2.600 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.884 -0.340 7.987 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.570 -1.482 8.291 1.00 0.00 H new ATOM 763 N ILE A 50 -4.536 -0.786 3.294 1.00 0.00 N ATOM 764 CA ILE A 50 -3.628 0.269 2.863 1.00 0.00 C ATOM 765 C ILE A 50 -4.045 1.620 3.436 1.00 0.00 C ATOM 766 O ILE A 50 -5.137 2.113 3.155 1.00 0.00 O ATOM 767 CB ILE A 50 -3.571 0.371 1.328 1.00 0.00 C ATOM 768 CG1 ILE A 50 -2.980 -0.909 0.732 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.754 1.583 0.907 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.362 -1.134 -0.714 1.00 0.00 C ATOM 0 H ILE A 50 -5.458 -0.753 2.859 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.639 0.007 3.238 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.586 0.492 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.894 -0.869 0.810 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.311 -1.762 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.723 1.641 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.213 2.488 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.739 1.490 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.908 -2.059 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.446 -1.206 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.007 -0.299 -1.318 1.00 0.00 H new ATOM 782 N GLN A 51 -3.165 2.213 4.237 1.00 0.00 N ATOM 783 CA GLN A 51 -3.442 3.508 4.847 1.00 0.00 C ATOM 784 C GLN A 51 -2.372 4.528 4.471 1.00 0.00 C ATOM 785 O GLN A 51 -1.236 4.165 4.165 1.00 0.00 O ATOM 786 CB GLN A 51 -3.519 3.372 6.370 1.00 0.00 C ATOM 787 CG GLN A 51 -4.917 3.068 6.883 1.00 0.00 C ATOM 788 CD GLN A 51 -5.894 4.198 6.621 1.00 0.00 C ATOM 789 OE1 GLN A 51 -5.524 5.372 6.648 1.00 0.00 O ATOM 790 NE2 GLN A 51 -7.149 3.849 6.366 1.00 0.00 N ATOM 0 H GLN A 51 -2.256 1.818 4.478 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.402 3.860 4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.843 2.579 6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.166 4.296 6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.284 2.158 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.872 2.873 7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.412 2.864 6.354 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.851 4.566 6.182 1.00 0.00 H new ATOM 799 N PHE A 52 -2.743 5.803 4.492 1.00 0.00 N ATOM 800 CA PHE A 52 -1.816 6.875 4.151 1.00 0.00 C ATOM 801 C PHE A 52 -1.660 7.850 5.315 1.00 0.00 C ATOM 802 O PHE A 52 -2.570 8.047 6.120 1.00 0.00 O ATOM 803 CB PHE A 52 -2.302 7.622 2.907 1.00 0.00 C ATOM 804 CG PHE A 52 -2.374 6.759 1.680 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.487 5.970 1.437 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.331 6.738 0.769 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.556 5.174 0.309 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.394 5.945 -0.361 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.509 5.163 -0.591 1.00 0.00 C ATOM 0 H PHE A 52 -3.680 6.120 4.742 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.844 6.428 3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.289 8.040 3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.634 8.461 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.310 5.977 2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.458 7.349 0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.428 4.562 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.573 5.937 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.562 4.543 -1.474 1.00 0.00 H new ATOM 819 N PRO A 53 -0.476 8.476 5.407 1.00 0.00 N ATOM 820 CA PRO A 53 -0.172 9.440 6.468 1.00 0.00 C ATOM 821 C PRO A 53 -0.956 10.738 6.314 1.00 0.00 C ATOM 822 O PRO A 53 -1.538 11.002 5.261 1.00 0.00 O ATOM 823 CB PRO A 53 1.327 9.697 6.294 1.00 0.00 C ATOM 824 CG PRO A 53 1.598 9.398 4.860 1.00 0.00 C ATOM 825 CD PRO A 53 0.654 8.289 4.483 1.00 0.00 C ATOM 0 HA PRO A 53 -0.442 9.060 7.453 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.583 10.728 6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.917 9.057 6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.433 10.279 4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.635 9.095 4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.339 8.365 3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.116 7.309 4.605 1.00 0.00 H new ATOM 833 N ASP A 54 -0.969 11.545 7.370 1.00 0.00 N ATOM 834 CA ASP A 54 -1.682 12.817 7.351 1.00 0.00 C ATOM 835 C ASP A 54 -0.713 13.985 7.506 1.00 0.00 C ATOM 836 O ASP A 54 0.019 14.072 8.493 1.00 0.00 O ATOM 837 CB ASP A 54 -2.730 12.856 8.465 1.00 0.00 C ATOM 838 CG ASP A 54 -3.888 13.777 8.137 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.459 13.644 7.035 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.226 14.630 8.985 1.00 0.00 O ATOM 0 H ASP A 54 -0.494 11.341 8.249 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.184 12.910 6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.109 11.849 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.259 13.184 9.392 1.00 0.00 H new ATOM 845 N LYS A 55 -0.712 14.882 6.525 1.00 0.00 N ATOM 846 CA LYS A 55 0.166 16.044 6.552 1.00 0.00 C ATOM 847 C LYS A 55 -0.020 16.838 7.841 1.00 0.00 C ATOM 848 O LYS A 55 0.948 17.319 8.431 1.00 0.00 O ATOM 849 CB LYS A 55 -0.108 16.943 5.343 1.00 0.00 C ATOM 850 CG LYS A 55 -1.536 17.458 5.279 1.00 0.00 C ATOM 851 CD LYS A 55 -1.932 17.829 3.860 1.00 0.00 C ATOM 852 CE LYS A 55 -3.376 18.299 3.790 1.00 0.00 C ATOM 853 NZ LYS A 55 -3.922 18.209 2.407 1.00 0.00 N ATOM 0 H LYS A 55 -1.311 14.825 5.701 1.00 0.00 H new ATOM 0 HA LYS A 55 1.196 15.691 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.575 17.792 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.110 16.388 4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.216 16.696 5.660 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.639 18.329 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.274 18.616 3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.796 16.967 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.987 17.696 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.440 19.329 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.908 18.538 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.354 18.804 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.885 17.222 2.083 1.00 0.00 H new ATOM 867 N ASP A 56 -1.269 16.969 8.275 1.00 0.00 N ATOM 868 CA ASP A 56 -1.581 17.702 9.496 1.00 0.00 C ATOM 869 C ASP A 56 -0.731 17.204 10.661 1.00 0.00 C ATOM 870 O ASP A 56 -0.233 17.996 11.462 1.00 0.00 O ATOM 871 CB ASP A 56 -3.066 17.561 9.836 1.00 0.00 C ATOM 872 CG ASP A 56 -3.478 18.434 11.004 1.00 0.00 C ATOM 873 OD1 ASP A 56 -2.885 18.286 12.093 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.394 19.265 10.830 1.00 0.00 O ATOM 0 H ASP A 56 -2.082 16.577 7.799 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.353 18.754 9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.662 17.823 8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.285 16.519 10.070 1.00 0.00 H new ATOM 879 N ASP A 57 -0.571 15.889 10.749 1.00 0.00 N ATOM 880 CA ASP A 57 0.220 15.285 11.816 1.00 0.00 C ATOM 881 C ASP A 57 1.639 15.846 11.826 1.00 0.00 C ATOM 882 O ASP A 57 2.049 16.503 12.782 1.00 0.00 O ATOM 883 CB ASP A 57 0.261 13.765 11.651 1.00 0.00 C ATOM 884 CG ASP A 57 0.413 13.042 12.975 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.514 13.101 13.561 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.570 12.419 13.427 1.00 0.00 O ATOM 0 H ASP A 57 -0.978 15.220 10.095 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.254 15.527 12.767 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.654 13.431 11.161 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.090 13.496 10.996 1.00 0.00 H new ATOM 891 N GLY A 58 2.382 15.582 10.756 1.00 0.00 N ATOM 892 CA GLY A 58 3.747 16.067 10.663 1.00 0.00 C ATOM 893 C GLY A 58 4.757 15.057 11.169 1.00 0.00 C ATOM 894 O GLY A 58 5.453 14.417 10.381 1.00 0.00 O ATOM 0 H GLY A 58 2.064 15.041 9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.972 16.313 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.841 16.989 11.236 1.00 0.00 H new ATOM 898 N ASN A 59 4.839 14.914 12.487 1.00 0.00 N ATOM 899 CA ASN A 59 5.775 13.976 13.097 1.00 0.00 C ATOM 900 C ASN A 59 5.855 12.684 12.289 1.00 0.00 C ATOM 901 O ASN A 59 6.904 12.044 12.227 1.00 0.00 O ATOM 902 CB ASN A 59 5.352 13.665 14.535 1.00 0.00 C ATOM 903 CG ASN A 59 5.226 14.916 15.384 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.149 15.228 15.892 1.00 0.00 O ATOM 905 ND2 ASN A 59 6.330 15.638 15.540 1.00 0.00 N ATOM 0 H ASN A 59 4.269 15.435 13.153 1.00 0.00 H new ATOM 0 HA ASN A 59 6.761 14.440 13.106 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.398 13.139 14.524 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.081 12.993 14.988 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.307 16.490 16.100 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.201 15.340 15.100 1.00 0.00 H new ATOM 912 N GLN A 60 4.739 12.309 11.672 1.00 0.00 N ATOM 913 CA GLN A 60 4.684 11.095 10.866 1.00 0.00 C ATOM 914 C GLN A 60 5.103 11.376 9.428 1.00 0.00 C ATOM 915 O GLN A 60 4.924 12.476 8.907 1.00 0.00 O ATOM 916 CB GLN A 60 3.273 10.504 10.894 1.00 0.00 C ATOM 917 CG GLN A 60 2.793 10.138 12.288 1.00 0.00 C ATOM 918 CD GLN A 60 1.347 9.686 12.307 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.461 10.507 11.754 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.027 8.609 12.814 1.00 0.00 N flip ATOM 0 H GLN A 60 3.862 12.828 11.715 1.00 0.00 H new ATOM 0 HA GLN A 60 5.381 10.374 11.292 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.579 11.222 10.457 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.249 9.614 10.265 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.423 9.344 12.688 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.909 10.999 12.946 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.740 8.008 13.228 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.049 8.318 12.819 1.00 0.00 H new ATOM 929 N PRO A 61 5.677 10.357 8.768 1.00 0.00 N ATOM 930 CA PRO A 61 6.134 10.470 7.380 1.00 0.00 C ATOM 931 C PRO A 61 4.975 10.583 6.396 1.00 0.00 C ATOM 932 O PRO A 61 3.973 9.880 6.520 1.00 0.00 O ATOM 933 CB PRO A 61 6.904 9.167 7.153 1.00 0.00 C ATOM 934 CG PRO A 61 6.315 8.205 8.125 1.00 0.00 C ATOM 935 CD PRO A 61 5.924 9.018 9.328 1.00 0.00 C ATOM 0 HA PRO A 61 6.731 11.367 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.791 8.814 6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.971 9.302 7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.449 7.699 7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.035 7.432 8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.035 8.615 9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.716 9.035 10.076 1.00 0.00 H new ATOM 943 N GLN A 62 5.120 11.472 5.418 1.00 0.00 N ATOM 944 CA GLN A 62 4.084 11.675 4.412 1.00 0.00 C ATOM 945 C GLN A 62 4.372 10.854 3.160 1.00 0.00 C ATOM 946 O GLN A 62 3.460 10.506 2.410 1.00 0.00 O ATOM 947 CB GLN A 62 3.979 13.158 4.051 1.00 0.00 C ATOM 948 CG GLN A 62 3.723 14.059 5.248 1.00 0.00 C ATOM 949 CD GLN A 62 2.448 13.700 5.987 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.377 13.604 5.388 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.557 13.500 7.295 1.00 0.00 N ATOM 0 H GLN A 62 5.944 12.062 5.301 1.00 0.00 H new ATOM 0 HA GLN A 62 3.135 11.342 4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.902 13.471 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.174 13.291 3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.567 13.993 5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.665 15.094 4.913 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.465 13.590 7.751 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.733 13.256 7.844 1.00 0.00 H new ATOM 960 N ASP A 63 5.645 10.549 2.939 1.00 0.00 N ATOM 961 CA ASP A 63 6.054 9.768 1.777 1.00 0.00 C ATOM 962 C ASP A 63 6.000 8.274 2.080 1.00 0.00 C ATOM 963 O ASP A 63 6.206 7.444 1.195 1.00 0.00 O ATOM 964 CB ASP A 63 7.466 10.162 1.341 1.00 0.00 C ATOM 965 CG ASP A 63 8.536 9.554 2.228 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.652 8.311 2.250 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.257 10.321 2.901 1.00 0.00 O ATOM 0 H ASP A 63 6.412 10.830 3.549 1.00 0.00 H new ATOM 0 HA ASP A 63 5.359 9.981 0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.627 9.843 0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.559 11.248 1.357 1.00 0.00 H new ATOM 972 N GLN A 64 5.722 7.940 3.336 1.00 0.00 N ATOM 973 CA GLN A 64 5.642 6.545 3.755 1.00 0.00 C ATOM 974 C GLN A 64 4.192 6.081 3.827 1.00 0.00 C ATOM 975 O GLN A 64 3.347 6.743 4.431 1.00 0.00 O ATOM 976 CB GLN A 64 6.317 6.361 5.115 1.00 0.00 C ATOM 977 CG GLN A 64 7.813 6.634 5.093 1.00 0.00 C ATOM 978 CD GLN A 64 8.628 5.398 4.773 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.614 4.990 3.509 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.262 4.813 5.652 1.00 0.00 N flip ATOM 0 H GLN A 64 5.549 8.615 4.081 1.00 0.00 H new ATOM 0 HA GLN A 64 6.162 5.938 3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.845 7.026 5.839 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.147 5.341 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.026 7.406 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.121 7.026 6.062 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.245 5.161 6.611 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.804 3.980 5.421 1.00 0.00 H new ATOM 989 N ILE A 65 3.910 4.939 3.209 1.00 0.00 N ATOM 990 CA ILE A 65 2.561 4.385 3.204 1.00 0.00 C ATOM 991 C ILE A 65 2.468 3.157 4.103 1.00 0.00 C ATOM 992 O ILE A 65 3.178 2.171 3.902 1.00 0.00 O ATOM 993 CB ILE A 65 2.115 4.002 1.782 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.182 5.219 0.857 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.707 3.424 1.805 1.00 0.00 C ATOM 996 CD1 ILE A 65 1.800 4.913 -0.574 1.00 0.00 C ATOM 0 H ILE A 65 4.598 4.379 2.705 1.00 0.00 H new ATOM 0 HA ILE A 65 1.899 5.162 3.586 1.00 0.00 H new ATOM 0 HB ILE A 65 2.793 3.240 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.521 5.995 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.194 5.624 0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.406 3.158 0.792 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.689 2.534 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.016 4.165 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.870 5.822 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.476 4.160 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.778 4.537 -0.605 1.00 0.00 H new ATOM 1008 N THR A 66 1.586 3.222 5.096 1.00 0.00 N ATOM 1009 CA THR A 66 1.399 2.115 6.025 1.00 0.00 C ATOM 1010 C THR A 66 0.472 1.055 5.439 1.00 0.00 C ATOM 1011 O THR A 66 -0.650 1.356 5.032 1.00 0.00 O ATOM 1012 CB THR A 66 0.820 2.601 7.367 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.004 3.752 7.158 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.934 2.940 8.347 1.00 0.00 C ATOM 0 H THR A 66 0.990 4.030 5.277 1.00 0.00 H new ATOM 0 HA THR A 66 2.382 1.678 6.198 1.00 0.00 H new ATOM 0 HB THR A 66 0.218 1.796 7.789 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.369 4.053 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.500 3.281 9.287 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.542 2.053 8.528 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.559 3.729 7.929 1.00 0.00 H new ATOM 1022 N ILE A 67 0.949 -0.184 5.400 1.00 0.00 N ATOM 1023 CA ILE A 67 0.161 -1.287 4.865 1.00 0.00 C ATOM 1024 C ILE A 67 0.262 -2.519 5.760 1.00 0.00 C ATOM 1025 O ILE A 67 1.348 -3.053 5.982 1.00 0.00 O ATOM 1026 CB ILE A 67 0.614 -1.664 3.442 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.529 -0.447 2.518 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.233 -2.806 2.901 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.147 -0.679 1.156 1.00 0.00 C ATOM 0 H ILE A 67 1.876 -0.449 5.732 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.874 -0.948 4.831 1.00 0.00 H new ATOM 0 HB ILE A 67 1.652 -1.995 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.517 -0.170 2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.027 0.397 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.100 -3.061 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.127 -3.676 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.279 -2.501 2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.051 0.225 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.202 -0.927 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.634 -1.502 0.659 1.00 0.00 H new ATOM 1041 N THR A 68 -0.881 -2.966 6.270 1.00 0.00 N ATOM 1042 CA THR A 68 -0.924 -4.134 7.141 1.00 0.00 C ATOM 1043 C THR A 68 -1.446 -5.356 6.395 1.00 0.00 C ATOM 1044 O THR A 68 -2.183 -5.233 5.419 1.00 0.00 O ATOM 1045 CB THR A 68 -1.810 -3.883 8.375 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.499 -2.609 8.951 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.614 -4.977 9.415 1.00 0.00 C ATOM 0 H THR A 68 -1.790 -2.537 6.095 1.00 0.00 H new ATOM 0 HA THR A 68 0.098 -4.321 7.470 1.00 0.00 H new ATOM 0 HB THR A 68 -2.852 -3.892 8.054 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.068 -2.456 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.250 -4.778 10.277 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.880 -5.942 8.983 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.571 -4.996 9.731 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.057 -6.540 6.862 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.497 -7.769 6.226 1.00 0.00 C ATOM 1057 C GLY A 69 -0.367 -8.762 6.044 1.00 0.00 C ATOM 1058 O GLY A 69 0.792 -8.454 6.323 1.00 0.00 O ATOM 0 H GLY A 69 -0.446 -6.669 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.284 -8.224 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.933 -7.536 5.254 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.703 -9.959 5.575 1.00 0.00 N ATOM 1063 CA TYR A 70 0.291 -11.003 5.360 1.00 0.00 C ATOM 1064 C TYR A 70 1.528 -10.442 4.665 1.00 0.00 C ATOM 1065 O TYR A 70 1.434 -9.852 3.589 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.305 -12.140 4.527 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.450 -12.853 5.208 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -1.371 -13.216 6.548 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.612 -13.165 4.512 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.415 -13.868 7.173 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.662 -13.815 5.131 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.558 -14.166 6.461 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.601 -14.814 7.081 1.00 0.00 O ATOM 0 H TYR A 70 -1.657 -10.230 5.336 1.00 0.00 H new ATOM 0 HA TYR A 70 0.589 -11.393 6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.653 -11.738 3.575 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.479 -12.863 4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.478 -12.984 7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.695 -12.895 3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.337 -14.143 8.214 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.559 -14.047 4.577 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.330 -14.948 6.440 1.00 0.00 H new ATOM 1083 N GLU A 71 2.686 -10.632 5.288 1.00 0.00 N ATOM 1084 CA GLU A 71 3.942 -10.145 4.729 1.00 0.00 C ATOM 1085 C GLU A 71 3.983 -10.351 3.219 1.00 0.00 C ATOM 1086 O GLU A 71 4.669 -9.626 2.499 1.00 0.00 O ATOM 1087 CB GLU A 71 5.127 -10.858 5.384 1.00 0.00 C ATOM 1088 CG GLU A 71 6.430 -10.705 4.617 1.00 0.00 C ATOM 1089 CD GLU A 71 7.538 -11.582 5.166 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.438 -12.000 6.337 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.505 -11.851 4.422 1.00 0.00 O ATOM 0 H GLU A 71 2.781 -11.119 6.179 1.00 0.00 H new ATOM 0 HA GLU A 71 4.010 -9.077 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.262 -10.469 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.894 -11.919 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.261 -10.953 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.747 -9.663 4.651 1.00 0.00 H new ATOM 1098 N LYS A 72 3.241 -11.347 2.743 1.00 0.00 N ATOM 1099 CA LYS A 72 3.190 -11.651 1.319 1.00 0.00 C ATOM 1100 C LYS A 72 2.132 -10.803 0.619 1.00 0.00 C ATOM 1101 O LYS A 72 2.437 -10.053 -0.306 1.00 0.00 O ATOM 1102 CB LYS A 72 2.893 -13.137 1.103 1.00 0.00 C ATOM 1103 CG LYS A 72 4.003 -14.055 1.585 1.00 0.00 C ATOM 1104 CD LYS A 72 5.113 -14.178 0.553 1.00 0.00 C ATOM 1105 CE LYS A 72 6.399 -14.694 1.178 1.00 0.00 C ATOM 1106 NZ LYS A 72 6.894 -13.792 2.255 1.00 0.00 N ATOM 0 H LYS A 72 2.667 -11.957 3.325 1.00 0.00 H new ATOM 0 HA LYS A 72 4.163 -11.415 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.970 -13.394 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.722 -13.314 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.414 -13.671 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.593 -15.042 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.798 -14.852 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.294 -13.206 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.229 -15.690 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.163 -14.792 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.924 -13.898 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.669 -12.806 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.435 -14.041 3.154 1.00 0.00 H new ATOM 1120 N ASN A 73 0.888 -10.929 1.070 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.215 -10.173 0.487 1.00 0.00 C ATOM 1122 C ASN A 73 0.134 -8.692 0.385 1.00 0.00 C ATOM 1123 O ASN A 73 -0.239 -8.019 -0.576 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.483 -10.354 1.326 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.128 -11.709 1.112 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.492 -12.643 0.625 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.401 -11.822 1.478 1.00 0.00 N ATOM 0 H ASN A 73 0.619 -11.546 1.836 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.394 -10.555 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.238 -10.234 2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.197 -9.570 1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.889 -12.710 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.890 -11.021 1.878 1.00 0.00 H new ATOM 1134 N THR A 74 0.854 -8.189 1.384 1.00 0.00 N ATOM 1135 CA THR A 74 1.253 -6.788 1.408 1.00 0.00 C ATOM 1136 C THR A 74 2.043 -6.420 0.156 1.00 0.00 C ATOM 1137 O THR A 74 1.588 -5.622 -0.663 1.00 0.00 O ATOM 1138 CB THR A 74 2.106 -6.468 2.651 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.194 -7.393 2.751 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.262 -6.530 3.915 1.00 0.00 C ATOM 0 H THR A 74 1.172 -8.732 2.187 1.00 0.00 H new ATOM 0 HA THR A 74 0.337 -6.199 1.443 1.00 0.00 H new ATOM 0 HB THR A 74 2.500 -5.457 2.544 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.497 -7.443 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.885 -6.301 4.780 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.452 -5.803 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.843 -7.530 4.024 1.00 0.00 H new ATOM 1148 N GLU A 75 3.227 -7.006 0.015 1.00 0.00 N ATOM 1149 CA GLU A 75 4.079 -6.738 -1.137 1.00 0.00 C ATOM 1150 C GLU A 75 3.248 -6.612 -2.410 1.00 0.00 C ATOM 1151 O GLU A 75 3.337 -5.615 -3.126 1.00 0.00 O ATOM 1152 CB GLU A 75 5.117 -7.850 -1.302 1.00 0.00 C ATOM 1153 CG GLU A 75 5.906 -8.138 -0.035 1.00 0.00 C ATOM 1154 CD GLU A 75 7.294 -8.678 -0.322 1.00 0.00 C ATOM 1155 OE1 GLU A 75 8.195 -7.867 -0.621 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.479 -9.911 -0.248 1.00 0.00 O ATOM 0 H GLU A 75 3.618 -7.669 0.684 1.00 0.00 H new ATOM 0 HA GLU A 75 4.594 -5.793 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.613 -8.762 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.810 -7.574 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.990 -7.223 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.359 -8.858 0.574 1.00 0.00 H new ATOM 1163 N ALA A 76 2.439 -7.630 -2.686 1.00 0.00 N ATOM 1164 CA ALA A 76 1.591 -7.633 -3.871 1.00 0.00 C ATOM 1165 C ALA A 76 0.845 -6.311 -4.015 1.00 0.00 C ATOM 1166 O ALA A 76 0.668 -5.805 -5.123 1.00 0.00 O ATOM 1167 CB ALA A 76 0.607 -8.792 -3.813 1.00 0.00 C ATOM 0 H ALA A 76 2.353 -8.463 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 76 2.231 -7.757 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.020 -8.782 -4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.155 -9.733 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.020 -8.693 -2.927 1.00 0.00 H new ATOM 1173 N ALA A 77 0.409 -5.757 -2.888 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.317 -4.493 -2.890 1.00 0.00 C ATOM 1175 C ALA A 77 0.641 -3.310 -2.988 1.00 0.00 C ATOM 1176 O ALA A 77 0.484 -2.441 -3.846 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.177 -4.377 -1.640 1.00 0.00 C ATOM 0 H ALA A 77 0.546 -6.164 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.965 -4.475 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.714 -3.428 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.893 -5.199 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.541 -4.421 -0.756 1.00 0.00 H new ATOM 1183 N ARG A 78 1.631 -3.283 -2.103 1.00 0.00 N ATOM 1184 CA ARG A 78 2.613 -2.204 -2.088 1.00 0.00 C ATOM 1185 C ARG A 78 3.241 -2.023 -3.467 1.00 0.00 C ATOM 1186 O ARG A 78 3.696 -0.933 -3.814 1.00 0.00 O ATOM 1187 CB ARG A 78 3.702 -2.492 -1.053 1.00 0.00 C ATOM 1188 CG ARG A 78 4.881 -3.274 -1.611 1.00 0.00 C ATOM 1189 CD ARG A 78 5.958 -2.347 -2.153 1.00 0.00 C ATOM 1190 NE ARG A 78 6.863 -3.037 -3.068 1.00 0.00 N ATOM 1191 CZ ARG A 78 8.105 -2.637 -3.313 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.588 -1.558 -2.714 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.869 -3.317 -4.159 1.00 0.00 N ATOM 0 H ARG A 78 1.775 -3.995 -1.387 1.00 0.00 H new ATOM 0 HA ARG A 78 2.100 -1.281 -1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.063 -1.548 -0.646 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.266 -3.050 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.303 -3.906 -0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.536 -3.937 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.489 -1.509 -2.670 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.529 -1.931 -1.323 1.00 0.00 H new ATOM 0 HE ARG A 78 6.522 -3.872 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.005 -1.032 -2.063 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.543 -1.253 -2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.502 -4.148 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.823 -3.008 -4.346 1.00 0.00 H new ATOM 1207 N ASP A 79 3.264 -3.098 -4.247 1.00 0.00 N ATOM 1208 CA ASP A 79 3.836 -3.057 -5.588 1.00 0.00 C ATOM 1209 C ASP A 79 2.995 -2.182 -6.511 1.00 0.00 C ATOM 1210 O ASP A 79 3.508 -1.590 -7.460 1.00 0.00 O ATOM 1211 CB ASP A 79 3.944 -4.470 -6.163 1.00 0.00 C ATOM 1212 CG ASP A 79 4.830 -4.530 -7.392 1.00 0.00 C ATOM 1213 OD1 ASP A 79 6.062 -4.647 -7.228 1.00 0.00 O ATOM 1214 OD2 ASP A 79 4.291 -4.458 -8.516 1.00 0.00 O ATOM 0 H ASP A 79 2.893 -4.008 -3.974 1.00 0.00 H new ATOM 0 HA ASP A 79 4.834 -2.625 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.340 -5.140 -5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.948 -4.832 -6.419 1.00 0.00 H new ATOM 1219 N ALA A 80 1.699 -2.106 -6.227 1.00 0.00 N ATOM 1220 CA ALA A 80 0.785 -1.303 -7.032 1.00 0.00 C ATOM 1221 C ALA A 80 1.046 0.187 -6.834 1.00 0.00 C ATOM 1222 O ALA A 80 1.276 0.919 -7.797 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.657 -1.638 -6.686 1.00 0.00 C ATOM 0 H ALA A 80 1.258 -2.591 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 80 0.959 -1.541 -8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.328 -1.031 -7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.843 -2.694 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.836 -1.430 -5.631 1.00 0.00 H new ATOM 1229 N ILE A 81 1.008 0.629 -5.581 1.00 0.00 N ATOM 1230 CA ILE A 81 1.240 2.031 -5.260 1.00 0.00 C ATOM 1231 C ILE A 81 2.398 2.598 -6.073 1.00 0.00 C ATOM 1232 O ILE A 81 2.364 3.751 -6.503 1.00 0.00 O ATOM 1233 CB ILE A 81 1.539 2.222 -3.761 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.366 1.719 -2.917 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.825 3.686 -3.460 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.683 1.618 -1.440 1.00 0.00 C ATOM 0 H ILE A 81 0.819 0.036 -4.773 1.00 0.00 H new ATOM 0 HA ILE A 81 0.326 2.568 -5.513 1.00 0.00 H new ATOM 0 HB ILE A 81 2.424 1.639 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.483 2.389 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.060 0.739 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.034 3.805 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.688 4.015 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.957 4.289 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.194 1.255 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.511 0.925 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.960 2.601 -1.059 1.00 0.00 H new ATOM 1248 N LEU A 82 3.424 1.779 -6.282 1.00 0.00 N ATOM 1249 CA LEU A 82 4.594 2.197 -7.047 1.00 0.00 C ATOM 1250 C LEU A 82 4.308 2.158 -8.544 1.00 0.00 C ATOM 1251 O LEU A 82 4.600 3.110 -9.268 1.00 0.00 O ATOM 1252 CB LEU A 82 5.789 1.299 -6.720 1.00 0.00 C ATOM 1253 CG LEU A 82 6.072 1.073 -5.235 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.090 -0.042 -5.049 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.561 2.357 -4.583 1.00 0.00 C ATOM 0 H LEU A 82 3.469 0.822 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 82 4.832 3.224 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.628 0.329 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.679 1.732 -7.177 1.00 0.00 H new ATOM 0 HG LEU A 82 5.143 0.774 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.279 -0.189 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.701 -0.965 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.020 0.228 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.757 2.177 -3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.478 2.687 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.799 3.129 -4.684 1.00 0.00 H new ATOM 1267 N ARG A 83 3.732 1.051 -9.003 1.00 0.00 N ATOM 1268 CA ARG A 83 3.406 0.887 -10.414 1.00 0.00 C ATOM 1269 C ARG A 83 2.698 2.127 -10.955 1.00 0.00 C ATOM 1270 O ARG A 83 3.195 2.790 -11.865 1.00 0.00 O ATOM 1271 CB ARG A 83 2.524 -0.346 -10.617 1.00 0.00 C ATOM 1272 CG ARG A 83 1.724 -0.317 -11.908 1.00 0.00 C ATOM 1273 CD ARG A 83 1.404 -1.721 -12.397 1.00 0.00 C ATOM 1274 NE ARG A 83 2.468 -2.263 -13.238 1.00 0.00 N ATOM 1275 CZ ARG A 83 2.615 -3.558 -13.495 1.00 0.00 C ATOM 1276 NH1 ARG A 83 1.770 -4.439 -12.978 1.00 0.00 N ATOM 1277 NH2 ARG A 83 3.609 -3.973 -14.270 1.00 0.00 N ATOM 0 H ARG A 83 3.482 0.254 -8.417 1.00 0.00 H new ATOM 0 HA ARG A 83 4.338 0.752 -10.963 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.152 -1.237 -10.609 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.837 -0.433 -9.776 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.797 0.235 -11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.287 0.217 -12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.249 -2.377 -11.540 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.470 -1.705 -12.959 1.00 0.00 H new ATOM 0 HE ARG A 83 3.135 -1.611 -13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.005 -4.123 -12.382 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.885 -5.433 -13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.261 -3.297 -14.669 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.721 -4.968 -14.467 1.00 0.00 H new ATOM 1291 N ILE A 84 1.535 2.432 -10.389 1.00 0.00 N ATOM 1292 CA ILE A 84 0.760 3.590 -10.813 1.00 0.00 C ATOM 1293 C ILE A 84 1.636 4.834 -10.906 1.00 0.00 C ATOM 1294 O ILE A 84 1.693 5.491 -11.946 1.00 0.00 O ATOM 1295 CB ILE A 84 -0.409 3.869 -9.850 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -1.310 2.639 -9.736 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -1.207 5.076 -10.321 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -2.058 2.555 -8.424 1.00 0.00 C ATOM 0 H ILE A 84 1.109 1.892 -9.635 1.00 0.00 H new ATOM 0 HA ILE A 84 0.359 3.357 -11.799 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.002 4.090 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.030 2.649 -10.555 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.703 1.742 -9.856 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.030 5.260 -9.630 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.558 5.951 -10.354 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.606 4.882 -11.317 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.677 1.658 -8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.345 2.513 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.692 3.434 -8.310 1.00 0.00 H new ATOM 1310 N VAL A 85 2.320 5.153 -9.812 1.00 0.00 N ATOM 1311 CA VAL A 85 3.196 6.317 -9.769 1.00 0.00 C ATOM 1312 C VAL A 85 3.988 6.456 -11.065 1.00 0.00 C ATOM 1313 O VAL A 85 3.846 7.441 -11.788 1.00 0.00 O ATOM 1314 CB VAL A 85 4.180 6.237 -8.586 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.227 7.335 -8.687 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.431 6.322 -7.264 1.00 0.00 C ATOM 0 H VAL A 85 2.284 4.621 -8.943 1.00 0.00 H new ATOM 0 HA VAL A 85 2.556 7.190 -9.641 1.00 0.00 H new ATOM 0 HB VAL A 85 4.692 5.276 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.913 7.262 -7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.783 7.223 -9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.736 8.308 -8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.141 6.264 -6.439 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.891 7.267 -7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.724 5.496 -7.193 1.00 0.00 H new ATOM 1326 N GLY A 86 4.823 5.462 -11.352 1.00 0.00 N ATOM 1327 CA GLY A 86 5.625 5.492 -12.561 1.00 0.00 C ATOM 1328 C GLY A 86 4.895 6.133 -13.724 1.00 0.00 C ATOM 1329 O GLY A 86 5.480 6.906 -14.482 1.00 0.00 O ATOM 0 H GLY A 86 4.958 4.636 -10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.547 6.040 -12.368 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.909 4.475 -12.830 1.00 0.00 H new ATOM 1333 N GLU A 87 3.614 5.809 -13.868 1.00 0.00 N ATOM 1334 CA GLU A 87 2.804 6.358 -14.950 1.00 0.00 C ATOM 1335 C GLU A 87 2.427 7.809 -14.666 1.00 0.00 C ATOM 1336 O GLU A 87 2.573 8.679 -15.525 1.00 0.00 O ATOM 1337 CB GLU A 87 1.540 5.519 -15.146 1.00 0.00 C ATOM 1338 CG GLU A 87 1.705 4.064 -14.742 1.00 0.00 C ATOM 1339 CD GLU A 87 0.825 3.130 -15.550 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -0.410 3.177 -15.372 1.00 0.00 O ATOM 1341 OE2 GLU A 87 1.372 2.353 -16.361 1.00 0.00 O ATOM 0 H GLU A 87 3.115 5.170 -13.250 1.00 0.00 H new ATOM 0 HA GLU A 87 3.396 6.328 -15.864 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.729 5.959 -14.565 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.243 5.565 -16.194 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.748 3.772 -14.866 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.468 3.956 -13.684 1.00 0.00 H new ATOM 1348 N LEU A 88 1.942 8.061 -13.456 1.00 0.00 N ATOM 1349 CA LEU A 88 1.541 9.406 -13.057 1.00 0.00 C ATOM 1350 C LEU A 88 2.619 10.423 -13.417 1.00 0.00 C ATOM 1351 O LEU A 88 2.337 11.448 -14.038 1.00 0.00 O ATOM 1352 CB LEU A 88 1.263 9.452 -11.553 1.00 0.00 C ATOM 1353 CG LEU A 88 0.380 8.333 -11.001 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.219 8.475 -9.495 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.979 8.336 -11.686 1.00 0.00 C ATOM 0 H LEU A 88 1.817 7.352 -12.734 1.00 0.00 H new ATOM 0 HA LEU A 88 0.629 9.662 -13.597 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.217 9.429 -11.026 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.793 10.407 -11.319 1.00 0.00 H new ATOM 0 HG LEU A 88 0.866 7.379 -11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.413 7.670 -9.119 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.198 8.421 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.244 9.435 -9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.593 7.532 -11.280 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.472 9.293 -11.512 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.847 8.185 -12.757 1.00 0.00 H new