USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 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 -14:sc= 0.919! USER MOD Set 1.2: A 22 THR OG1 : rot -34:sc= 0.0534 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.0518 F(o=-0.29,f=1) USER MOD Single : A 16 SER OG : rot 70:sc= 0.415 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 148:sc= -0.0419 (180deg=-0.997) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HE2:sc= -7.16! C(o=-7.9!,f=-7.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 76:sc= 0.798 USER MOD Single : A 41 GLN : amide:sc= -0.0635 K(o=-0.064,f=-0.99) USER MOD Single : A 46 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-2) USER MOD Single : A 49 ASN : amide:sc=-0.00773 K(o=-0.0077,f=-1.6) USER MOD Single : A 51 GLN : amide:sc= -0.453 K(o=-0.45,f=-4.5!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0654 X(o=-0.065,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -1.17 F(o=-4!,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -6.13! C(o=-6.1!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -125:sc= 0.601 (180deg=-0.00038) USER MOD Single : A 73 ASN : amide:sc= -0.024 K(o=-0.024,f=-2.1!) USER MOD Single : A 74 THR OG1 : rot -165:sc= -0.113 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.073 -13.075 11.611 1.00 0.00 N ATOM 160 CA LEU A 14 2.065 -12.925 10.160 1.00 0.00 C ATOM 161 C LEU A 14 1.132 -11.797 9.734 1.00 0.00 C ATOM 162 O LEU A 14 1.499 -10.949 8.920 1.00 0.00 O ATOM 163 CB LEU A 14 1.636 -14.235 9.495 1.00 0.00 C ATOM 164 CG LEU A 14 2.658 -15.372 9.531 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.008 -16.687 9.128 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.838 -15.058 8.624 1.00 0.00 C ATOM 0 HA LEU A 14 3.077 -12.675 9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.721 -14.581 9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.390 -14.027 8.454 1.00 0.00 H new ATOM 0 HG LEU A 14 3.027 -15.471 10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.750 -17.484 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.197 -16.919 9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.610 -16.601 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.555 -15.878 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.486 -14.931 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.320 -14.139 8.959 1.00 0.00 H new ATOM 178 N ARG A 15 -0.075 -11.792 10.290 1.00 0.00 N ATOM 179 CA ARG A 15 -1.060 -10.766 9.968 1.00 0.00 C ATOM 180 C ARG A 15 -0.675 -9.427 10.592 1.00 0.00 C ATOM 181 O ARG A 15 -1.145 -8.373 10.163 1.00 0.00 O ATOM 182 CB ARG A 15 -2.446 -11.188 10.458 1.00 0.00 C ATOM 183 CG ARG A 15 -2.562 -11.259 11.971 1.00 0.00 C ATOM 184 CD ARG A 15 -3.976 -10.953 12.438 1.00 0.00 C ATOM 185 NE ARG A 15 -4.910 -12.022 12.094 1.00 0.00 N ATOM 186 CZ ARG A 15 -6.231 -11.880 12.117 1.00 0.00 C ATOM 187 NH1 ARG A 15 -6.771 -10.719 12.464 1.00 0.00 N ATOM 188 NH2 ARG A 15 -7.014 -12.900 11.792 1.00 0.00 N ATOM 0 H ARG A 15 -0.394 -12.486 10.965 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.084 -10.649 8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.186 -10.484 10.078 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.689 -12.164 10.037 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.272 -12.253 12.313 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.867 -10.551 12.424 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.977 -10.805 13.518 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.312 -10.019 11.988 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.527 -12.927 11.821 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.172 -9.932 12.714 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.785 -10.613 12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.602 -13.794 11.524 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.028 -12.790 11.810 1.00 0.00 H new ATOM 202 N SER A 16 0.183 -9.478 11.606 1.00 0.00 N ATOM 203 CA SER A 16 0.628 -8.270 12.291 1.00 0.00 C ATOM 204 C SER A 16 1.897 -7.717 11.650 1.00 0.00 C ATOM 205 O SER A 16 2.805 -7.256 12.341 1.00 0.00 O ATOM 206 CB SER A 16 0.877 -8.560 13.773 1.00 0.00 C ATOM 207 OG SER A 16 2.076 -9.293 13.954 1.00 0.00 O ATOM 0 H SER A 16 0.584 -10.342 11.971 1.00 0.00 H new ATOM 0 HA SER A 16 -0.159 -7.522 12.201 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.933 -7.622 14.326 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.038 -9.122 14.183 1.00 0.00 H new ATOM 0 HG SER A 16 2.844 -8.718 13.756 1.00 0.00 H new ATOM 213 N PHE A 17 1.952 -7.769 10.323 1.00 0.00 N ATOM 214 CA PHE A 17 3.109 -7.275 9.586 1.00 0.00 C ATOM 215 C PHE A 17 2.841 -5.884 9.020 1.00 0.00 C ATOM 216 O PHE A 17 1.866 -5.673 8.296 1.00 0.00 O ATOM 217 CB PHE A 17 3.469 -8.239 8.453 1.00 0.00 C ATOM 218 CG PHE A 17 4.169 -7.576 7.302 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.453 -6.851 6.363 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.544 -7.677 7.160 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.095 -6.241 5.302 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.191 -7.068 6.100 1.00 0.00 C ATOM 223 CZ PHE A 17 5.466 -6.348 5.172 1.00 0.00 C ATOM 0 H PHE A 17 1.209 -8.148 9.736 1.00 0.00 H new ATOM 0 HA PHE A 17 3.948 -7.210 10.279 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.106 -9.030 8.848 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.559 -8.715 8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.381 -6.762 6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.116 -8.237 7.885 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.525 -5.681 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.263 -7.156 5.999 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.970 -5.869 4.346 1.00 0.00 H new ATOM 233 N LYS A 18 3.711 -4.938 9.354 1.00 0.00 N ATOM 234 CA LYS A 18 3.570 -3.566 8.880 1.00 0.00 C ATOM 235 C LYS A 18 4.638 -3.237 7.842 1.00 0.00 C ATOM 236 O LYS A 18 5.835 -3.370 8.102 1.00 0.00 O ATOM 237 CB LYS A 18 3.665 -2.587 10.052 1.00 0.00 C ATOM 238 CG LYS A 18 3.138 -1.199 9.730 1.00 0.00 C ATOM 239 CD LYS A 18 3.836 -0.132 10.557 1.00 0.00 C ATOM 240 CE LYS A 18 5.090 0.378 9.865 1.00 0.00 C ATOM 241 NZ LYS A 18 6.003 1.073 10.814 1.00 0.00 N ATOM 0 H LYS A 18 4.522 -5.096 9.952 1.00 0.00 H new ATOM 0 HA LYS A 18 2.590 -3.469 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.108 -2.991 10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.706 -2.508 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.282 -0.991 8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.065 -1.163 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.153 0.699 10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.098 -0.540 11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.615 -0.458 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.810 1.062 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.846 1.406 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.511 1.886 11.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.291 0.413 11.565 1.00 0.00 H new ATOM 255 N LEU A 19 4.199 -2.806 6.664 1.00 0.00 N ATOM 256 CA LEU A 19 5.118 -2.457 5.586 1.00 0.00 C ATOM 257 C LEU A 19 5.164 -0.945 5.379 1.00 0.00 C ATOM 258 O LEU A 19 4.207 -0.238 5.691 1.00 0.00 O ATOM 259 CB LEU A 19 4.700 -3.149 4.288 1.00 0.00 C ATOM 260 CG LEU A 19 5.433 -2.703 3.023 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.799 -3.365 2.936 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.604 -3.019 1.786 1.00 0.00 C ATOM 0 H LEU A 19 3.213 -2.690 6.431 1.00 0.00 H new ATOM 0 HA LEU A 19 6.115 -2.798 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.846 -4.222 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.632 -2.987 4.141 1.00 0.00 H new ATOM 0 HG LEU A 19 5.578 -1.624 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.306 -3.035 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.394 -3.087 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.678 -4.448 2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.142 -2.694 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.426 -4.093 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.649 -2.496 1.844 1.00 0.00 H new ATOM 274 N SER A 20 6.282 -0.460 4.847 1.00 0.00 N ATOM 275 CA SER A 20 6.452 0.967 4.599 1.00 0.00 C ATOM 276 C SER A 20 6.965 1.213 3.184 1.00 0.00 C ATOM 277 O SER A 20 8.050 0.763 2.815 1.00 0.00 O ATOM 278 CB SER A 20 7.421 1.570 5.617 1.00 0.00 C ATOM 279 OG SER A 20 8.758 1.504 5.151 1.00 0.00 O ATOM 0 H SER A 20 7.082 -1.033 4.580 1.00 0.00 H new ATOM 0 HA SER A 20 5.480 1.449 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.151 2.608 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.336 1.037 6.564 1.00 0.00 H new ATOM 0 HG SER A 20 8.807 0.897 4.383 1.00 0.00 H new ATOM 285 N VAL A 21 6.176 1.933 2.392 1.00 0.00 N ATOM 286 CA VAL A 21 6.549 2.242 1.016 1.00 0.00 C ATOM 287 C VAL A 21 6.993 3.693 0.881 1.00 0.00 C ATOM 288 O VAL A 21 6.372 4.600 1.435 1.00 0.00 O ATOM 289 CB VAL A 21 5.381 1.981 0.046 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.867 2.012 -1.394 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.711 0.653 0.364 1.00 0.00 C ATOM 0 H VAL A 21 5.274 2.313 2.680 1.00 0.00 H new ATOM 0 HA VAL A 21 7.380 1.585 0.757 1.00 0.00 H new ATOM 0 HB VAL A 21 4.642 2.773 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.029 1.826 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.296 2.990 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.625 1.243 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.888 0.485 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.438 -0.154 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.326 0.675 1.384 1.00 0.00 H new ATOM 301 N THR A 22 8.075 3.909 0.139 1.00 0.00 N ATOM 302 CA THR A 22 8.605 5.250 -0.071 1.00 0.00 C ATOM 303 C THR A 22 8.046 5.869 -1.347 1.00 0.00 C ATOM 304 O THR A 22 8.450 5.508 -2.452 1.00 0.00 O ATOM 305 CB THR A 22 10.143 5.241 -0.149 1.00 0.00 C ATOM 306 OG1 THR A 22 10.683 4.459 0.923 1.00 0.00 O ATOM 307 CG2 THR A 22 10.697 6.657 -0.079 1.00 0.00 C ATOM 0 H THR A 22 8.602 3.170 -0.327 1.00 0.00 H new ATOM 0 HA THR A 22 8.296 5.849 0.786 1.00 0.00 H new ATOM 0 HB THR A 22 10.434 4.801 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.118 4.558 1.717 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.785 6.625 -0.136 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.307 7.242 -0.912 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.396 7.119 0.861 1.00 0.00 H new ATOM 315 N VAL A 23 7.116 6.805 -1.187 1.00 0.00 N ATOM 316 CA VAL A 23 6.504 7.476 -2.328 1.00 0.00 C ATOM 317 C VAL A 23 6.097 8.902 -1.973 1.00 0.00 C ATOM 318 O VAL A 23 5.406 9.132 -0.980 1.00 0.00 O ATOM 319 CB VAL A 23 5.264 6.711 -2.829 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.618 7.446 -3.994 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.640 5.291 -3.227 1.00 0.00 C ATOM 0 H VAL A 23 6.770 7.116 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 23 7.252 7.501 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 23 4.539 6.657 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.744 6.891 -4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.313 8.442 -3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.334 7.533 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.753 4.765 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.383 5.321 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.054 4.769 -2.364 1.00 0.00 H new ATOM 331 N ASP A 24 6.530 9.855 -2.790 1.00 0.00 N ATOM 332 CA ASP A 24 6.211 11.260 -2.564 1.00 0.00 C ATOM 333 C ASP A 24 4.747 11.427 -2.169 1.00 0.00 C ATOM 334 O ASP A 24 3.863 10.724 -2.657 1.00 0.00 O ATOM 335 CB ASP A 24 6.510 12.082 -3.819 1.00 0.00 C ATOM 336 CG ASP A 24 7.974 12.036 -4.205 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.798 12.630 -3.479 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.297 11.406 -5.234 1.00 0.00 O ATOM 0 H ASP A 24 7.103 9.680 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 24 6.834 11.622 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.907 11.708 -4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.214 13.117 -3.651 1.00 0.00 H new ATOM 343 N PRO A 25 4.484 12.380 -1.262 1.00 0.00 N ATOM 344 CA PRO A 25 3.128 12.662 -0.780 1.00 0.00 C ATOM 345 C PRO A 25 2.253 13.303 -1.851 1.00 0.00 C ATOM 346 O PRO A 25 1.095 13.639 -1.603 1.00 0.00 O ATOM 347 CB PRO A 25 3.359 13.638 0.377 1.00 0.00 C ATOM 348 CG PRO A 25 4.658 14.295 0.065 1.00 0.00 C ATOM 349 CD PRO A 25 5.489 13.256 -0.637 1.00 0.00 C ATOM 0 HA PRO A 25 2.601 11.753 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.553 14.368 0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.399 13.116 1.333 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.511 15.170 -0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.150 14.639 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.149 13.704 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.121 12.708 0.062 1.00 0.00 H new ATOM 357 N LYS A 26 2.814 13.469 -3.045 1.00 0.00 N ATOM 358 CA LYS A 26 2.085 14.069 -4.156 1.00 0.00 C ATOM 359 C LYS A 26 1.134 13.058 -4.791 1.00 0.00 C ATOM 360 O LYS A 26 -0.030 13.364 -5.049 1.00 0.00 O ATOM 361 CB LYS A 26 3.063 14.596 -5.209 1.00 0.00 C ATOM 362 CG LYS A 26 3.918 13.512 -5.842 1.00 0.00 C ATOM 363 CD LYS A 26 5.221 14.075 -6.384 1.00 0.00 C ATOM 364 CE LYS A 26 5.032 14.693 -7.761 1.00 0.00 C ATOM 365 NZ LYS A 26 4.450 16.061 -7.679 1.00 0.00 N ATOM 0 H LYS A 26 3.771 13.196 -3.267 1.00 0.00 H new ATOM 0 HA LYS A 26 1.497 14.900 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.501 15.107 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.715 15.338 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.134 12.740 -5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.363 13.035 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.607 14.827 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.966 13.281 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.993 14.737 -8.274 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.380 14.056 -8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.811 16.640 -8.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.414 16.002 -7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.718 16.499 -6.774 1.00 0.00 H new ATOM 379 N TYR A 27 1.637 11.854 -5.038 1.00 0.00 N ATOM 380 CA TYR A 27 0.833 10.800 -5.644 1.00 0.00 C ATOM 381 C TYR A 27 -0.081 10.150 -4.610 1.00 0.00 C ATOM 382 O TYR A 27 -1.045 9.467 -4.957 1.00 0.00 O ATOM 383 CB TYR A 27 1.736 9.741 -6.279 1.00 0.00 C ATOM 384 CG TYR A 27 2.757 10.313 -7.237 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.401 11.278 -8.169 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.080 9.887 -7.208 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.330 11.802 -9.047 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.017 10.406 -8.081 1.00 0.00 C ATOM 389 CZ TYR A 27 4.637 11.362 -8.998 1.00 0.00 C ATOM 390 OH TYR A 27 5.566 11.884 -9.869 1.00 0.00 O ATOM 0 H TYR A 27 2.598 11.584 -4.828 1.00 0.00 H new ATOM 0 HA TYR A 27 0.213 11.251 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.255 9.197 -5.490 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.117 9.018 -6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.379 11.626 -8.209 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.381 9.138 -6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.035 12.551 -9.767 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.041 10.065 -8.045 1.00 0.00 H new ATOM 0 HH TYR A 27 6.439 11.470 -9.704 1.00 0.00 H new ATOM 400 N HIS A 28 0.229 10.368 -3.335 1.00 0.00 N ATOM 401 CA HIS A 28 -0.565 9.806 -2.248 1.00 0.00 C ATOM 402 C HIS A 28 -2.054 10.045 -2.482 1.00 0.00 C ATOM 403 O HIS A 28 -2.849 9.111 -2.582 1.00 0.00 O ATOM 404 CB HIS A 28 -0.141 10.416 -0.912 1.00 0.00 C ATOM 405 CG HIS A 28 0.892 9.610 -0.187 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.869 8.797 -0.653 1.00 0.00 N flip ATOM 407 CD2 HIS A 28 0.997 9.584 1.188 1.00 0.00 C flip ATOM 408 CE1 HIS A 28 2.540 8.301 0.437 1.00 0.00 C flip ATOM 409 NE2 HIS A 28 1.995 8.791 1.536 1.00 0.00 N flip ATOM 0 H HIS A 28 1.024 10.930 -3.030 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.389 8.731 -2.220 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.249 11.419 -1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.019 10.523 -0.276 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.069 8.591 -1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.363 10.127 1.873 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.378 7.620 0.402 1.00 0.00 H new ATOM 417 N PRO A 29 -2.441 11.327 -2.571 1.00 0.00 N ATOM 418 CA PRO A 29 -3.835 11.718 -2.794 1.00 0.00 C ATOM 419 C PRO A 29 -4.318 11.374 -4.198 1.00 0.00 C ATOM 420 O PRO A 29 -5.496 11.530 -4.517 1.00 0.00 O ATOM 421 CB PRO A 29 -3.814 13.236 -2.594 1.00 0.00 C ATOM 422 CG PRO A 29 -2.412 13.638 -2.902 1.00 0.00 C ATOM 423 CD PRO A 29 -1.546 12.491 -2.462 1.00 0.00 C ATOM 0 HA PRO A 29 -4.516 11.194 -2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.523 13.733 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.088 13.505 -1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.288 13.835 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.144 14.554 -2.375 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.668 12.384 -3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.186 12.627 -1.442 1.00 0.00 H new ATOM 431 N LYS A 30 -3.399 10.902 -5.035 1.00 0.00 N ATOM 432 CA LYS A 30 -3.730 10.533 -6.406 1.00 0.00 C ATOM 433 C LYS A 30 -4.104 9.056 -6.496 1.00 0.00 C ATOM 434 O LYS A 30 -4.989 8.677 -7.263 1.00 0.00 O ATOM 435 CB LYS A 30 -2.551 10.828 -7.335 1.00 0.00 C ATOM 436 CG LYS A 30 -2.257 12.310 -7.492 1.00 0.00 C ATOM 437 CD LYS A 30 -3.199 12.962 -8.492 1.00 0.00 C ATOM 438 CE LYS A 30 -2.836 14.419 -8.732 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.196 14.861 -10.107 1.00 0.00 N ATOM 0 H LYS A 30 -2.419 10.766 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.588 11.128 -6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.662 10.328 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.757 10.401 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.351 12.805 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.226 12.445 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.164 12.417 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.223 12.897 -8.124 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.349 15.046 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.766 14.557 -8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.933 15.859 -10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.687 14.280 -10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.221 14.753 -10.249 1.00 0.00 H new ATOM 453 N ILE A 31 -3.425 8.229 -5.708 1.00 0.00 N ATOM 454 CA ILE A 31 -3.689 6.796 -5.698 1.00 0.00 C ATOM 455 C ILE A 31 -5.059 6.493 -5.101 1.00 0.00 C ATOM 456 O ILE A 31 -5.819 5.691 -5.642 1.00 0.00 O ATOM 457 CB ILE A 31 -2.615 6.032 -4.901 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.220 6.362 -5.437 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.872 4.533 -4.968 1.00 0.00 C ATOM 460 CD1 ILE A 31 -0.117 6.147 -4.425 1.00 0.00 C ATOM 0 H ILE A 31 -2.688 8.527 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.666 6.464 -6.736 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.667 6.344 -3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.022 5.746 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.203 7.401 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.105 4.007 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.852 4.313 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.843 4.205 -6.007 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.843 6.401 -4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.291 6.783 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.107 5.102 -4.114 1.00 0.00 H new ATOM 472 N ILE A 32 -5.368 7.142 -3.983 1.00 0.00 N ATOM 473 CA ILE A 32 -6.648 6.944 -3.314 1.00 0.00 C ATOM 474 C ILE A 32 -7.803 7.015 -4.306 1.00 0.00 C ATOM 475 O ILE A 32 -8.655 6.128 -4.348 1.00 0.00 O ATOM 476 CB ILE A 32 -6.873 7.991 -2.207 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.800 7.857 -1.124 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.261 7.837 -1.606 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.677 9.080 -0.241 1.00 0.00 C ATOM 0 H ILE A 32 -4.750 7.809 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.618 5.952 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.798 8.985 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.029 6.991 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.838 7.663 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.404 8.584 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.012 7.976 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.363 6.840 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.898 8.914 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.418 9.945 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.627 9.263 0.262 1.00 0.00 H new ATOM 491 N GLY A 33 -7.825 8.076 -5.107 1.00 0.00 N ATOM 492 CA GLY A 33 -8.880 8.244 -6.090 1.00 0.00 C ATOM 493 C GLY A 33 -9.826 9.374 -5.740 1.00 0.00 C ATOM 494 O GLY A 33 -9.787 9.902 -4.628 1.00 0.00 O ATOM 0 H GLY A 33 -7.130 8.823 -5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.435 8.437 -7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.444 7.315 -6.175 1.00 0.00 H new ATOM 498 N ARG A 34 -10.677 9.747 -6.690 1.00 0.00 N ATOM 499 CA ARG A 34 -11.635 10.825 -6.477 1.00 0.00 C ATOM 500 C ARG A 34 -12.304 10.696 -5.110 1.00 0.00 C ATOM 501 O ARG A 34 -12.169 11.572 -4.255 1.00 0.00 O ATOM 502 CB ARG A 34 -12.697 10.818 -7.578 1.00 0.00 C ATOM 503 CG ARG A 34 -12.176 11.280 -8.928 1.00 0.00 C ATOM 504 CD ARG A 34 -13.226 11.116 -10.017 1.00 0.00 C ATOM 505 NE ARG A 34 -12.823 11.756 -11.267 1.00 0.00 N ATOM 506 CZ ARG A 34 -12.739 13.072 -11.426 1.00 0.00 C ATOM 507 NH1 ARG A 34 -13.028 13.885 -10.419 1.00 0.00 N ATOM 508 NH2 ARG A 34 -12.365 13.577 -12.593 1.00 0.00 N ATOM 0 H ARG A 34 -10.723 9.319 -7.615 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.093 11.770 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -13.098 9.809 -7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.524 11.461 -7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.876 12.326 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.286 10.709 -9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.403 10.055 -10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.169 11.544 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 34 -12.593 11.159 -12.062 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.316 13.500 -9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.963 14.895 -10.544 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.141 12.955 -13.370 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.301 14.588 -12.714 1.00 0.00 H new ATOM 522 N LYS A 35 -13.025 9.597 -4.912 1.00 0.00 N ATOM 523 CA LYS A 35 -13.715 9.351 -3.651 1.00 0.00 C ATOM 524 C LYS A 35 -12.944 8.352 -2.796 1.00 0.00 C ATOM 525 O LYS A 35 -12.923 8.456 -1.570 1.00 0.00 O ATOM 526 CB LYS A 35 -15.129 8.831 -3.912 1.00 0.00 C ATOM 527 CG LYS A 35 -15.886 8.464 -2.648 1.00 0.00 C ATOM 528 CD LYS A 35 -16.289 9.700 -1.860 1.00 0.00 C ATOM 529 CE LYS A 35 -17.653 10.216 -2.292 1.00 0.00 C ATOM 530 NZ LYS A 35 -18.248 11.126 -1.274 1.00 0.00 N ATOM 0 H LYS A 35 -13.147 8.862 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.777 10.295 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.692 9.591 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.071 7.955 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.776 7.892 -2.909 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.265 7.821 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.308 9.464 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.542 10.482 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.558 10.744 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.323 9.373 -2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.177 11.457 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.362 10.615 -0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.621 11.943 -1.130 1.00 0.00 H new ATOM 544 N GLY A 36 -12.308 7.385 -3.451 1.00 0.00 N ATOM 545 CA GLY A 36 -11.543 6.382 -2.734 1.00 0.00 C ATOM 546 C GLY A 36 -11.929 4.969 -3.126 1.00 0.00 C ATOM 547 O GLY A 36 -11.934 4.065 -2.290 1.00 0.00 O ATOM 0 H GLY A 36 -12.309 7.279 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.481 6.532 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.693 6.512 -1.662 1.00 0.00 H new ATOM 551 N ALA A 37 -12.256 4.778 -4.400 1.00 0.00 N ATOM 552 CA ALA A 37 -12.644 3.465 -4.900 1.00 0.00 C ATOM 553 C ALA A 37 -11.437 2.703 -5.437 1.00 0.00 C ATOM 554 O ALA A 37 -11.265 1.516 -5.158 1.00 0.00 O ATOM 555 CB ALA A 37 -13.704 3.606 -5.981 1.00 0.00 C ATOM 0 H ALA A 37 -12.260 5.516 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.060 2.895 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.985 2.618 -6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.581 4.103 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.306 4.198 -6.805 1.00 0.00 H new ATOM 561 N VAL A 38 -10.602 3.393 -6.208 1.00 0.00 N ATOM 562 CA VAL A 38 -9.410 2.781 -6.784 1.00 0.00 C ATOM 563 C VAL A 38 -8.642 1.984 -5.736 1.00 0.00 C ATOM 564 O VAL A 38 -8.400 0.788 -5.904 1.00 0.00 O ATOM 565 CB VAL A 38 -8.475 3.841 -7.396 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.216 3.188 -7.945 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.196 4.624 -8.481 1.00 0.00 C ATOM 0 H VAL A 38 -10.729 4.376 -6.448 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.748 2.108 -7.572 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.181 4.539 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.567 3.952 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.691 2.676 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.487 2.467 -8.717 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.520 5.368 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.520 3.942 -9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.065 5.124 -8.053 1.00 0.00 H new ATOM 577 N ILE A 39 -8.259 2.654 -4.653 1.00 0.00 N ATOM 578 CA ILE A 39 -7.519 2.008 -3.578 1.00 0.00 C ATOM 579 C ILE A 39 -8.273 0.794 -3.043 1.00 0.00 C ATOM 580 O ILE A 39 -7.677 -0.246 -2.760 1.00 0.00 O ATOM 581 CB ILE A 39 -7.248 2.982 -2.416 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.354 2.322 -1.365 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.559 3.440 -1.792 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.936 2.091 -1.837 1.00 0.00 C ATOM 0 H ILE A 39 -8.450 3.644 -4.498 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.567 1.685 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.729 3.857 -2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.334 2.947 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.792 1.367 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.351 4.128 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.164 3.945 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.102 2.575 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.360 1.620 -1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.945 1.441 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.480 3.046 -2.099 1.00 0.00 H new ATOM 596 N THR A 40 -9.588 0.933 -2.910 1.00 0.00 N ATOM 597 CA THR A 40 -10.424 -0.151 -2.411 1.00 0.00 C ATOM 598 C THR A 40 -10.176 -1.440 -3.188 1.00 0.00 C ATOM 599 O THR A 40 -9.806 -2.461 -2.610 1.00 0.00 O ATOM 600 CB THR A 40 -11.920 0.206 -2.498 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.156 1.478 -1.883 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.771 -0.856 -1.819 1.00 0.00 C ATOM 0 H THR A 40 -10.097 1.786 -3.141 1.00 0.00 H new ATOM 0 HA THR A 40 -10.154 -0.301 -1.366 1.00 0.00 H new ATOM 0 HB THR A 40 -12.199 0.253 -3.551 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.852 2.192 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.823 -0.582 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.611 -1.817 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.489 -0.931 -0.769 1.00 0.00 H new ATOM 610 N GLN A 41 -10.381 -1.383 -4.500 1.00 0.00 N ATOM 611 CA GLN A 41 -10.179 -2.547 -5.354 1.00 0.00 C ATOM 612 C GLN A 41 -8.854 -3.232 -5.037 1.00 0.00 C ATOM 613 O GLN A 41 -8.804 -4.446 -4.837 1.00 0.00 O ATOM 614 CB GLN A 41 -10.213 -2.135 -6.827 1.00 0.00 C ATOM 615 CG GLN A 41 -10.030 -3.299 -7.789 1.00 0.00 C ATOM 616 CD GLN A 41 -11.141 -4.324 -7.681 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.253 -4.010 -7.255 1.00 0.00 O ATOM 618 NE2 GLN A 41 -10.846 -5.560 -8.066 1.00 0.00 N ATOM 0 H GLN A 41 -10.686 -0.544 -4.994 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.987 -3.253 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.165 -1.647 -7.037 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.430 -1.398 -7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.989 -2.919 -8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.074 -3.783 -7.590 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.912 -5.777 -8.413 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.554 -6.293 -8.015 1.00 0.00 H new ATOM 627 N ILE A 42 -7.783 -2.447 -4.992 1.00 0.00 N ATOM 628 CA ILE A 42 -6.458 -2.978 -4.697 1.00 0.00 C ATOM 629 C ILE A 42 -6.434 -3.675 -3.341 1.00 0.00 C ATOM 630 O ILE A 42 -5.975 -4.811 -3.223 1.00 0.00 O ATOM 631 CB ILE A 42 -5.390 -1.868 -4.711 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.327 -1.208 -6.090 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.032 -2.436 -4.326 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.652 0.144 -6.082 1.00 0.00 C ATOM 0 H ILE A 42 -7.807 -1.441 -5.156 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.227 -3.702 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.665 -1.109 -3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.794 -1.867 -6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.340 -1.097 -6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.287 -1.640 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.087 -2.864 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.747 -3.212 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.643 0.552 -7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.197 0.819 -5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.628 0.037 -5.725 1.00 0.00 H new ATOM 646 N ARG A 43 -6.933 -2.986 -2.319 1.00 0.00 N ATOM 647 CA ARG A 43 -6.970 -3.539 -0.970 1.00 0.00 C ATOM 648 C ARG A 43 -7.736 -4.858 -0.944 1.00 0.00 C ATOM 649 O ARG A 43 -7.207 -5.888 -0.527 1.00 0.00 O ATOM 650 CB ARG A 43 -7.615 -2.541 -0.006 1.00 0.00 C ATOM 651 CG ARG A 43 -6.824 -1.254 0.158 1.00 0.00 C ATOM 652 CD ARG A 43 -7.465 -0.333 1.185 1.00 0.00 C ATOM 653 NE ARG A 43 -8.580 0.423 0.622 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.403 1.171 1.348 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.237 1.261 2.661 1.00 0.00 N ATOM 656 NH2 ARG A 43 -10.394 1.830 0.763 1.00 0.00 N ATOM 0 H ARG A 43 -7.317 -2.044 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.945 -3.729 -0.653 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.616 -2.299 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.730 -3.014 0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.805 -1.489 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.758 -0.741 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.818 -0.923 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.715 0.359 1.569 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.736 0.374 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.476 0.755 3.115 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.870 1.836 3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.525 1.763 -0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.025 2.404 1.322 1.00 0.00 H new ATOM 670 N LEU A 44 -8.987 -4.818 -1.391 1.00 0.00 N ATOM 671 CA LEU A 44 -9.828 -6.010 -1.418 1.00 0.00 C ATOM 672 C LEU A 44 -9.197 -7.102 -2.277 1.00 0.00 C ATOM 673 O LEU A 44 -9.271 -8.285 -1.946 1.00 0.00 O ATOM 674 CB LEU A 44 -11.218 -5.665 -1.953 1.00 0.00 C ATOM 675 CG LEU A 44 -12.159 -4.962 -0.973 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.347 -4.362 -1.709 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.630 -5.931 0.102 1.00 0.00 C ATOM 0 H LEU A 44 -9.441 -3.974 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.920 -6.383 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.100 -5.030 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.696 -6.586 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.611 -4.153 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.005 -3.866 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.993 -3.636 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.896 -5.153 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.298 -5.414 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.160 -6.761 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.769 -6.313 0.650 1.00 0.00 H new ATOM 689 N GLU A 45 -8.575 -6.695 -3.380 1.00 0.00 N ATOM 690 CA GLU A 45 -7.931 -7.640 -4.284 1.00 0.00 C ATOM 691 C GLU A 45 -6.900 -8.487 -3.543 1.00 0.00 C ATOM 692 O GLU A 45 -6.953 -9.717 -3.575 1.00 0.00 O ATOM 693 CB GLU A 45 -7.258 -6.895 -5.440 1.00 0.00 C ATOM 694 CG GLU A 45 -6.439 -7.796 -6.349 1.00 0.00 C ATOM 695 CD GLU A 45 -5.968 -7.084 -7.603 1.00 0.00 C ATOM 696 OE1 GLU A 45 -5.269 -6.058 -7.476 1.00 0.00 O ATOM 697 OE2 GLU A 45 -6.299 -7.556 -8.711 1.00 0.00 O ATOM 0 H GLU A 45 -8.504 -5.719 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.699 -8.302 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.023 -6.394 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.611 -6.118 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.574 -8.170 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.037 -8.663 -6.630 1.00 0.00 H new ATOM 704 N HIS A 46 -5.965 -7.820 -2.874 1.00 0.00 N ATOM 705 CA HIS A 46 -4.923 -8.512 -2.123 1.00 0.00 C ATOM 706 C HIS A 46 -5.370 -8.777 -0.690 1.00 0.00 C ATOM 707 O HIS A 46 -4.634 -9.366 0.102 1.00 0.00 O ATOM 708 CB HIS A 46 -3.634 -7.689 -2.124 1.00 0.00 C ATOM 709 CG HIS A 46 -3.110 -7.398 -3.497 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.628 -8.375 -4.342 1.00 0.00 N ATOM 711 CD2 HIS A 46 -2.995 -6.230 -4.171 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.238 -7.821 -5.476 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.451 -6.520 -5.398 1.00 0.00 N ATOM 0 H HIS A 46 -5.907 -6.802 -2.836 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.735 -9.470 -2.608 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.814 -6.747 -1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.871 -8.224 -1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.278 -5.252 -3.811 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.817 -8.343 -6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.245 -5.841 -6.130 1.00 0.00 H new ATOM 721 N ASP A 47 -6.581 -8.338 -0.362 1.00 0.00 N ATOM 722 CA ASP A 47 -7.127 -8.528 0.976 1.00 0.00 C ATOM 723 C ASP A 47 -6.206 -7.921 2.030 1.00 0.00 C ATOM 724 O ASP A 47 -5.982 -8.510 3.087 1.00 0.00 O ATOM 725 CB ASP A 47 -7.334 -10.017 1.259 1.00 0.00 C ATOM 726 CG ASP A 47 -8.192 -10.692 0.207 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.434 -10.598 0.305 1.00 0.00 O ATOM 728 OD2 ASP A 47 -7.623 -11.312 -0.714 1.00 0.00 O ATOM 0 H ASP A 47 -7.203 -7.848 -1.005 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.090 -8.019 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.365 -10.513 1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.801 -10.137 2.236 1.00 0.00 H new ATOM 733 N VAL A 48 -5.673 -6.740 1.733 1.00 0.00 N ATOM 734 CA VAL A 48 -4.776 -6.053 2.655 1.00 0.00 C ATOM 735 C VAL A 48 -5.289 -4.654 2.981 1.00 0.00 C ATOM 736 O VAL A 48 -6.186 -4.141 2.315 1.00 0.00 O ATOM 737 CB VAL A 48 -3.353 -5.944 2.076 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.699 -7.315 2.004 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.384 -5.286 0.705 1.00 0.00 C ATOM 0 H VAL A 48 -5.847 -6.239 0.862 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.744 -6.647 3.568 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.757 -5.318 2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.694 -7.218 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.641 -7.744 3.005 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.292 -7.968 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.370 -5.217 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.996 -5.883 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.808 -4.286 0.791 1.00 0.00 H new ATOM 749 N ASN A 49 -4.711 -4.043 4.010 1.00 0.00 N ATOM 750 CA ASN A 49 -5.109 -2.703 4.424 1.00 0.00 C ATOM 751 C ASN A 49 -4.037 -1.679 4.060 1.00 0.00 C ATOM 752 O ASN A 49 -2.917 -1.731 4.569 1.00 0.00 O ATOM 753 CB ASN A 49 -5.371 -2.669 5.931 1.00 0.00 C ATOM 754 CG ASN A 49 -6.318 -1.554 6.329 1.00 0.00 C ATOM 755 OD1 ASN A 49 -6.594 -0.649 5.542 1.00 0.00 O ATOM 756 ND2 ASN A 49 -6.823 -1.616 7.556 1.00 0.00 N ATOM 0 H ASN A 49 -3.966 -4.454 4.572 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.027 -2.445 3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.788 -3.626 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.425 -2.544 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.468 -0.895 7.879 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.566 -2.385 8.175 1.00 0.00 H new ATOM 763 N ILE A 50 -4.390 -0.750 3.178 1.00 0.00 N ATOM 764 CA ILE A 50 -3.458 0.285 2.747 1.00 0.00 C ATOM 765 C ILE A 50 -3.893 1.658 3.250 1.00 0.00 C ATOM 766 O ILE A 50 -4.917 2.190 2.821 1.00 0.00 O ATOM 767 CB ILE A 50 -3.334 0.328 1.212 1.00 0.00 C ATOM 768 CG1 ILE A 50 -2.832 -1.016 0.683 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.403 1.454 0.788 1.00 0.00 C ATOM 770 CD1 ILE A 50 -2.962 -1.161 -0.818 1.00 0.00 C ATOM 0 H ILE A 50 -5.313 -0.693 2.748 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.487 0.034 3.174 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.319 0.519 0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.786 -1.140 0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.388 -1.819 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.325 1.472 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.800 2.406 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.415 1.292 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.587 -2.138 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.010 -1.070 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.383 -0.380 -1.311 1.00 0.00 H new ATOM 782 N GLN A 51 -3.108 2.226 4.158 1.00 0.00 N ATOM 783 CA GLN A 51 -3.411 3.538 4.718 1.00 0.00 C ATOM 784 C GLN A 51 -2.312 4.541 4.381 1.00 0.00 C ATOM 785 O GLN A 51 -1.154 4.168 4.191 1.00 0.00 O ATOM 786 CB GLN A 51 -3.583 3.442 6.235 1.00 0.00 C ATOM 787 CG GLN A 51 -5.013 3.160 6.669 1.00 0.00 C ATOM 788 CD GLN A 51 -5.923 4.359 6.490 1.00 0.00 C ATOM 789 OE1 GLN A 51 -5.631 5.265 5.709 1.00 0.00 O ATOM 790 NE2 GLN A 51 -7.034 4.372 7.217 1.00 0.00 N ATOM 0 H GLN A 51 -2.257 1.799 4.522 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.344 3.887 4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.934 2.654 6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.252 4.376 6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.405 2.322 6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.018 2.858 7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.237 3.600 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.685 5.154 7.140 1.00 0.00 H new ATOM 799 N PHE A 52 -2.684 5.814 4.308 1.00 0.00 N ATOM 800 CA PHE A 52 -1.730 6.871 3.993 1.00 0.00 C ATOM 801 C PHE A 52 -1.562 7.822 5.175 1.00 0.00 C ATOM 802 O PHE A 52 -2.467 8.010 5.988 1.00 0.00 O ATOM 803 CB PHE A 52 -2.189 7.651 2.759 1.00 0.00 C ATOM 804 CG PHE A 52 -2.470 6.778 1.569 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.689 6.131 1.442 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.517 6.606 0.579 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.949 5.326 0.348 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.772 5.803 -0.517 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.991 5.163 -0.633 1.00 0.00 C ATOM 0 H PHE A 52 -3.638 6.139 4.462 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.767 6.406 3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.089 8.213 3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.422 8.379 2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.443 6.257 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.563 7.105 0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.902 4.825 0.261 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.020 5.676 -1.281 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.194 4.537 -1.489 1.00 0.00 H new ATOM 819 N PRO A 53 -0.373 8.437 5.274 1.00 0.00 N ATOM 820 CA PRO A 53 -0.057 9.377 6.353 1.00 0.00 C ATOM 821 C PRO A 53 -0.833 10.685 6.228 1.00 0.00 C ATOM 822 O PRO A 53 -1.300 11.039 5.145 1.00 0.00 O ATOM 823 CB PRO A 53 1.443 9.627 6.177 1.00 0.00 C ATOM 824 CG PRO A 53 1.706 9.354 4.736 1.00 0.00 C ATOM 825 CD PRO A 53 0.753 8.260 4.341 1.00 0.00 C ATOM 0 HA PRO A 53 -0.325 8.979 7.332 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.707 10.651 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.032 8.971 6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.545 10.248 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.740 9.046 4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.435 8.359 3.303 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.208 7.275 4.442 1.00 0.00 H new ATOM 833 N ASP A 54 -0.965 11.397 7.341 1.00 0.00 N ATOM 834 CA ASP A 54 -1.682 12.666 7.356 1.00 0.00 C ATOM 835 C ASP A 54 -0.710 13.842 7.328 1.00 0.00 C ATOM 836 O ASP A 54 0.151 13.970 8.200 1.00 0.00 O ATOM 837 CB ASP A 54 -2.576 12.757 8.593 1.00 0.00 C ATOM 838 CG ASP A 54 -3.802 13.618 8.360 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.759 13.128 7.725 1.00 0.00 O ATOM 840 OD2 ASP A 54 -3.805 14.781 8.814 1.00 0.00 O ATOM 0 H ASP A 54 -0.585 11.117 8.245 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.305 12.712 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.890 11.755 8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.001 13.166 9.424 1.00 0.00 H new ATOM 845 N LYS A 55 -0.851 14.697 6.321 1.00 0.00 N ATOM 846 CA LYS A 55 0.014 15.862 6.178 1.00 0.00 C ATOM 847 C LYS A 55 -0.135 16.799 7.372 1.00 0.00 C ATOM 848 O LYS A 55 0.777 17.561 7.693 1.00 0.00 O ATOM 849 CB LYS A 55 -0.314 16.610 4.884 1.00 0.00 C ATOM 850 CG LYS A 55 -1.667 17.299 4.906 1.00 0.00 C ATOM 851 CD LYS A 55 -2.788 16.336 4.553 1.00 0.00 C ATOM 852 CE LYS A 55 -3.969 17.062 3.924 1.00 0.00 C ATOM 853 NZ LYS A 55 -5.173 16.190 3.841 1.00 0.00 N ATOM 0 H LYS A 55 -1.557 14.605 5.591 1.00 0.00 H new ATOM 0 HA LYS A 55 1.047 15.515 6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.460 17.354 4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.287 15.907 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.846 17.720 5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.665 18.130 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.415 15.579 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.117 15.814 5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.203 17.951 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.697 17.402 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.956 16.720 3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.957 15.354 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.448 15.886 4.797 1.00 0.00 H new ATOM 867 N ASP A 56 -1.289 16.737 8.027 1.00 0.00 N ATOM 868 CA ASP A 56 -1.557 17.579 9.187 1.00 0.00 C ATOM 869 C ASP A 56 -0.658 17.193 10.357 1.00 0.00 C ATOM 870 O ASP A 56 -0.137 18.055 11.064 1.00 0.00 O ATOM 871 CB ASP A 56 -3.026 17.467 9.598 1.00 0.00 C ATOM 872 CG ASP A 56 -3.475 18.627 10.464 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.440 19.778 9.981 1.00 0.00 O ATOM 874 OD2 ASP A 56 -3.862 18.384 11.626 1.00 0.00 O ATOM 0 H ASP A 56 -2.054 16.112 7.774 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.343 18.612 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.648 17.423 8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.179 16.533 10.139 1.00 0.00 H new ATOM 879 N ASP A 57 -0.482 15.890 10.557 1.00 0.00 N ATOM 880 CA ASP A 57 0.353 15.390 11.642 1.00 0.00 C ATOM 881 C ASP A 57 1.756 15.983 11.565 1.00 0.00 C ATOM 882 O ASP A 57 2.250 16.562 12.533 1.00 0.00 O ATOM 883 CB ASP A 57 0.428 13.863 11.593 1.00 0.00 C ATOM 884 CG ASP A 57 0.652 13.250 12.962 1.00 0.00 C ATOM 885 OD1 ASP A 57 -0.319 13.176 13.743 1.00 0.00 O ATOM 886 OD2 ASP A 57 1.797 12.845 13.251 1.00 0.00 O ATOM 0 H ASP A 57 -0.907 15.163 9.982 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.099 15.694 12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.496 13.470 11.169 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.237 13.563 10.927 1.00 0.00 H new ATOM 891 N GLY A 58 2.395 15.833 10.409 1.00 0.00 N ATOM 892 CA GLY A 58 3.736 16.358 10.228 1.00 0.00 C ATOM 893 C GLY A 58 4.800 15.437 10.792 1.00 0.00 C ATOM 894 O GLY A 58 5.544 14.807 10.044 1.00 0.00 O ATOM 0 H GLY A 58 2.008 15.357 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.921 16.514 9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.810 17.332 10.711 1.00 0.00 H new ATOM 898 N ASN A 59 4.872 15.361 12.117 1.00 0.00 N ATOM 899 CA ASN A 59 5.855 14.512 12.781 1.00 0.00 C ATOM 900 C ASN A 59 6.055 13.208 12.014 1.00 0.00 C ATOM 901 O ASN A 59 7.174 12.709 11.902 1.00 0.00 O ATOM 902 CB ASN A 59 5.413 14.210 14.215 1.00 0.00 C ATOM 903 CG ASN A 59 5.613 15.392 15.143 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.660 15.900 15.733 1.00 0.00 O ATOM 905 ND2 ASN A 59 6.857 15.839 15.273 1.00 0.00 N ATOM 0 H ASN A 59 4.262 15.876 12.752 1.00 0.00 H new ATOM 0 HA ASN A 59 6.804 15.048 12.805 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.361 13.925 14.216 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.975 13.356 14.593 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.052 16.634 15.881 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.617 15.387 14.765 1.00 0.00 H new ATOM 912 N GLN A 60 4.962 12.664 11.487 1.00 0.00 N ATOM 913 CA GLN A 60 5.019 11.419 10.730 1.00 0.00 C ATOM 914 C GLN A 60 5.330 11.689 9.262 1.00 0.00 C ATOM 915 O GLN A 60 5.023 12.752 8.721 1.00 0.00 O ATOM 916 CB GLN A 60 3.694 10.664 10.853 1.00 0.00 C ATOM 917 CG GLN A 60 3.267 10.415 12.290 1.00 0.00 C ATOM 918 CD GLN A 60 1.836 9.924 12.397 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.902 10.702 11.864 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.574 8.856 12.951 1.00 0.00 N flip ATOM 0 H GLN A 60 4.028 13.065 11.570 1.00 0.00 H new ATOM 0 HA GLN A 60 5.819 10.806 11.145 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.914 11.230 10.344 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.781 9.707 10.338 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.934 9.680 12.741 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.375 11.337 12.862 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.324 8.289 13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.607 8.538 13.014 1.00 0.00 H new ATOM 929 N PRO A 61 5.955 10.704 8.599 1.00 0.00 N ATOM 930 CA PRO A 61 6.322 10.811 7.184 1.00 0.00 C ATOM 931 C PRO A 61 5.105 10.789 6.266 1.00 0.00 C ATOM 932 O PRO A 61 4.283 9.875 6.334 1.00 0.00 O ATOM 933 CB PRO A 61 7.193 9.575 6.948 1.00 0.00 C ATOM 934 CG PRO A 61 6.747 8.596 7.980 1.00 0.00 C ATOM 935 CD PRO A 61 6.353 9.411 9.180 1.00 0.00 C ATOM 0 HA PRO A 61 6.826 11.752 6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.055 9.180 5.942 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.252 9.810 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.907 8.003 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.547 7.898 8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.533 8.948 9.729 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.182 9.523 9.879 1.00 0.00 H new ATOM 943 N GLN A 62 4.996 11.800 5.409 1.00 0.00 N ATOM 944 CA GLN A 62 3.878 11.894 4.478 1.00 0.00 C ATOM 945 C GLN A 62 4.174 11.128 3.193 1.00 0.00 C ATOM 946 O GLN A 62 3.268 10.830 2.414 1.00 0.00 O ATOM 947 CB GLN A 62 3.578 13.359 4.156 1.00 0.00 C ATOM 948 CG GLN A 62 3.304 14.209 5.386 1.00 0.00 C ATOM 949 CD GLN A 62 2.407 13.511 6.389 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.416 12.880 6.020 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.749 13.621 7.667 1.00 0.00 N ATOM 0 H GLN A 62 5.668 12.564 5.341 1.00 0.00 H new ATOM 0 HA GLN A 62 3.004 11.447 4.952 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.422 13.783 3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.715 13.407 3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.249 14.464 5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.840 15.146 5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.579 14.154 7.929 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.182 13.173 8.387 1.00 0.00 H new ATOM 960 N ASP A 63 5.446 10.814 2.976 1.00 0.00 N ATOM 961 CA ASP A 63 5.861 10.084 1.785 1.00 0.00 C ATOM 962 C ASP A 63 5.868 8.580 2.045 1.00 0.00 C ATOM 963 O ASP A 63 5.969 7.781 1.114 1.00 0.00 O ATOM 964 CB ASP A 63 7.249 10.542 1.337 1.00 0.00 C ATOM 965 CG ASP A 63 8.363 9.799 2.049 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.714 8.687 1.602 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.883 10.329 3.054 1.00 0.00 O ATOM 0 H ASP A 63 6.208 11.054 3.610 1.00 0.00 H new ATOM 0 HA ASP A 63 5.144 10.295 0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.347 10.394 0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.353 11.611 1.523 1.00 0.00 H new ATOM 972 N GLN A 64 5.762 8.204 3.315 1.00 0.00 N ATOM 973 CA GLN A 64 5.758 6.797 3.697 1.00 0.00 C ATOM 974 C GLN A 64 4.332 6.266 3.804 1.00 0.00 C ATOM 975 O GLN A 64 3.470 6.897 4.415 1.00 0.00 O ATOM 976 CB GLN A 64 6.488 6.606 5.028 1.00 0.00 C ATOM 977 CG GLN A 64 8.000 6.704 4.912 1.00 0.00 C ATOM 978 CD GLN A 64 8.651 5.369 4.609 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.580 4.948 3.351 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.212 4.724 5.494 1.00 0.00 N flip ATOM 0 H GLN A 64 5.678 8.854 4.097 1.00 0.00 H new ATOM 0 HA GLN A 64 6.278 6.234 2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.137 7.356 5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.226 5.631 5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.255 7.415 4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.407 7.099 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.243 5.086 6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.646 3.828 5.274 1.00 0.00 H new ATOM 989 N ILE A 65 4.092 5.104 3.207 1.00 0.00 N ATOM 990 CA ILE A 65 2.772 4.489 3.238 1.00 0.00 C ATOM 991 C ILE A 65 2.768 3.233 4.104 1.00 0.00 C ATOM 992 O ILE A 65 3.636 2.370 3.969 1.00 0.00 O ATOM 993 CB ILE A 65 2.289 4.121 1.821 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.199 5.375 0.949 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.942 3.417 1.887 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.090 5.076 -0.530 1.00 0.00 C ATOM 0 H ILE A 65 4.795 4.570 2.696 1.00 0.00 H new ATOM 0 HA ILE A 65 2.093 5.225 3.667 1.00 0.00 H new ATOM 0 HB ILE A 65 3.011 3.439 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.333 5.961 1.258 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.080 5.992 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.614 3.164 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.036 2.506 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.209 4.077 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.030 6.011 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.968 4.516 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.194 4.485 -0.717 1.00 0.00 H new ATOM 1008 N THR A 66 1.787 3.138 4.994 1.00 0.00 N ATOM 1009 CA THR A 66 1.670 1.989 5.883 1.00 0.00 C ATOM 1010 C THR A 66 0.675 0.971 5.337 1.00 0.00 C ATOM 1011 O THR A 66 -0.430 1.327 4.927 1.00 0.00 O ATOM 1012 CB THR A 66 1.227 2.414 7.297 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.795 3.686 7.625 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.652 1.382 8.330 1.00 0.00 C ATOM 0 H THR A 66 1.061 3.843 5.119 1.00 0.00 H new ATOM 0 HA THR A 66 2.658 1.533 5.941 1.00 0.00 H new ATOM 0 HB THR A 66 0.140 2.488 7.307 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.508 3.950 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.328 1.704 9.320 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.195 0.421 8.093 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.737 1.281 8.318 1.00 0.00 H new ATOM 1022 N ILE A 67 1.074 -0.297 5.336 1.00 0.00 N ATOM 1023 CA ILE A 67 0.216 -1.367 4.841 1.00 0.00 C ATOM 1024 C ILE A 67 0.295 -2.595 5.742 1.00 0.00 C ATOM 1025 O ILE A 67 1.373 -3.145 5.969 1.00 0.00 O ATOM 1026 CB ILE A 67 0.593 -1.773 3.404 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.556 -0.553 2.481 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.346 -2.857 2.897 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.290 -0.762 1.175 1.00 0.00 C ATOM 0 H ILE A 67 1.985 -0.608 5.672 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.803 -0.981 4.844 1.00 0.00 H new ATOM 0 HB ILE A 67 1.607 -2.172 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.483 -0.300 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.992 0.300 3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.067 -3.134 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.275 -3.732 3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.370 -2.484 2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.223 0.143 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.337 -0.986 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.840 -1.594 0.634 1.00 0.00 H new ATOM 1041 N THR A 68 -0.856 -3.023 6.251 1.00 0.00 N ATOM 1042 CA THR A 68 -0.918 -4.188 7.126 1.00 0.00 C ATOM 1043 C THR A 68 -1.403 -5.419 6.370 1.00 0.00 C ATOM 1044 O THR A 68 -2.104 -5.305 5.365 1.00 0.00 O ATOM 1045 CB THR A 68 -1.848 -3.937 8.328 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.539 -2.678 8.934 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.712 -5.049 9.357 1.00 0.00 C ATOM 0 H THR A 68 -1.758 -2.581 6.073 1.00 0.00 H new ATOM 0 HA THR A 68 0.094 -4.365 7.489 1.00 0.00 H new ATOM 0 HB THR A 68 -2.876 -3.921 7.967 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.136 -2.526 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.378 -4.851 10.197 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.978 -6.002 8.900 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.682 -5.092 9.712 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.024 -6.596 6.860 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.430 -7.832 6.217 1.00 0.00 C ATOM 1057 C GLY A 69 -0.291 -8.823 6.093 1.00 0.00 C ATOM 1058 O GLY A 69 0.842 -8.528 6.478 1.00 0.00 O ATOM 0 H GLY A 69 -0.443 -6.715 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.241 -8.285 6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.823 -7.610 5.225 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.588 -10.001 5.557 1.00 0.00 N ATOM 1063 CA TYR A 70 0.419 -11.041 5.387 1.00 0.00 C ATOM 1064 C TYR A 70 1.638 -10.502 4.644 1.00 0.00 C ATOM 1065 O TYR A 70 1.517 -9.946 3.554 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.168 -12.232 4.630 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.323 -12.896 5.347 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -1.182 -13.363 6.648 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.554 -13.055 4.724 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.234 -13.971 7.306 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.611 -13.659 5.375 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.446 -14.117 6.666 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.496 -14.720 7.319 1.00 0.00 O ATOM 0 H TYR A 70 -1.520 -10.260 5.232 1.00 0.00 H new ATOM 0 HA TYR A 70 0.735 -11.370 6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.504 -11.898 3.649 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.618 -12.969 4.464 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.234 -13.249 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.687 -12.700 3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.107 -14.330 8.317 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.562 -13.772 4.876 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.278 -14.743 6.729 1.00 0.00 H new ATOM 1083 N GLU A 71 2.812 -10.674 5.243 1.00 0.00 N ATOM 1084 CA GLU A 71 4.054 -10.204 4.638 1.00 0.00 C ATOM 1085 C GLU A 71 4.006 -10.348 3.120 1.00 0.00 C ATOM 1086 O GLU A 71 4.566 -9.529 2.390 1.00 0.00 O ATOM 1087 CB GLU A 71 5.246 -10.983 5.198 1.00 0.00 C ATOM 1088 CG GLU A 71 6.536 -10.760 4.427 1.00 0.00 C ATOM 1089 CD GLU A 71 7.669 -11.640 4.917 1.00 0.00 C ATOM 1090 OE1 GLU A 71 8.076 -11.487 6.087 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.148 -12.482 4.129 1.00 0.00 O ATOM 0 H GLU A 71 2.930 -11.135 6.145 1.00 0.00 H new ATOM 0 HA GLU A 71 4.172 -9.148 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.400 -10.696 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.009 -12.047 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.361 -10.956 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.830 -9.714 4.513 1.00 0.00 H new ATOM 1098 N LYS A 72 3.336 -11.394 2.651 1.00 0.00 N ATOM 1099 CA LYS A 72 3.214 -11.646 1.220 1.00 0.00 C ATOM 1100 C LYS A 72 2.134 -10.766 0.602 1.00 0.00 C ATOM 1101 O LYS A 72 2.425 -9.875 -0.195 1.00 0.00 O ATOM 1102 CB LYS A 72 2.892 -13.121 0.966 1.00 0.00 C ATOM 1103 CG LYS A 72 3.901 -14.077 1.576 1.00 0.00 C ATOM 1104 CD LYS A 72 5.025 -14.395 0.604 1.00 0.00 C ATOM 1105 CE LYS A 72 6.191 -13.433 0.766 1.00 0.00 C ATOM 1106 NZ LYS A 72 7.188 -13.930 1.752 1.00 0.00 N ATOM 0 H LYS A 72 2.868 -12.082 3.241 1.00 0.00 H new ATOM 0 HA LYS A 72 4.168 -11.403 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.904 -13.343 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.844 -13.294 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.316 -13.639 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.399 -15.000 1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.369 -15.416 0.766 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.649 -14.344 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.677 -13.286 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.817 -12.460 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.340 -13.209 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.835 -14.803 2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.087 -14.126 1.268 1.00 0.00 H new ATOM 1120 N ASN A 73 0.884 -11.018 0.978 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.241 -10.247 0.461 1.00 0.00 C ATOM 1122 C ASN A 73 0.097 -8.759 0.412 1.00 0.00 C ATOM 1123 O ASN A 73 -0.332 -8.043 -0.494 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.482 -10.471 1.328 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.075 -11.854 1.142 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.371 -12.801 0.789 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.375 -11.976 1.378 1.00 0.00 N ATOM 0 H ASN A 73 0.625 -11.750 1.639 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.448 -10.589 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.220 -10.329 2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.233 -9.720 1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.830 -12.882 1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.919 -11.164 1.669 1.00 0.00 H new ATOM 1134 N THR A 74 0.870 -8.300 1.392 1.00 0.00 N ATOM 1135 CA THR A 74 1.265 -6.900 1.462 1.00 0.00 C ATOM 1136 C THR A 74 2.050 -6.487 0.221 1.00 0.00 C ATOM 1137 O THR A 74 1.639 -5.590 -0.514 1.00 0.00 O ATOM 1138 CB THR A 74 2.118 -6.618 2.712 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.247 -7.497 2.743 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.295 -6.795 3.979 1.00 0.00 C ATOM 0 H THR A 74 1.235 -8.879 2.148 1.00 0.00 H new ATOM 0 HA THR A 74 0.347 -6.316 1.519 1.00 0.00 H new ATOM 0 HB THR A 74 2.464 -5.586 2.664 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.652 -7.478 3.635 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.918 -6.591 4.849 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.453 -6.103 3.965 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.923 -7.818 4.031 1.00 0.00 H new ATOM 1148 N GLU A 75 3.180 -7.150 -0.006 1.00 0.00 N ATOM 1149 CA GLU A 75 4.022 -6.851 -1.158 1.00 0.00 C ATOM 1150 C GLU A 75 3.184 -6.730 -2.427 1.00 0.00 C ATOM 1151 O GLU A 75 3.316 -5.765 -3.181 1.00 0.00 O ATOM 1152 CB GLU A 75 5.084 -7.938 -1.337 1.00 0.00 C ATOM 1153 CG GLU A 75 5.964 -8.136 -0.115 1.00 0.00 C ATOM 1154 CD GLU A 75 7.365 -8.592 -0.473 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.906 -8.104 -1.487 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.921 -9.437 0.261 1.00 0.00 O ATOM 0 H GLU A 75 3.533 -7.897 0.592 1.00 0.00 H new ATOM 0 HA GLU A 75 4.516 -5.896 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.591 -8.880 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.713 -7.683 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.022 -7.201 0.442 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.504 -8.872 0.544 1.00 0.00 H new ATOM 1163 N ALA A 76 2.321 -7.715 -2.657 1.00 0.00 N ATOM 1164 CA ALA A 76 1.461 -7.717 -3.833 1.00 0.00 C ATOM 1165 C ALA A 76 0.690 -6.407 -3.953 1.00 0.00 C ATOM 1166 O ALA A 76 0.358 -5.970 -5.055 1.00 0.00 O ATOM 1167 CB ALA A 76 0.499 -8.895 -3.780 1.00 0.00 C ATOM 0 H ALA A 76 2.200 -8.521 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 76 2.094 -7.817 -4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.138 -8.885 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.065 -9.826 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.120 -8.819 -2.886 1.00 0.00 H new ATOM 1173 N ALA A 77 0.409 -5.785 -2.813 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.322 -4.524 -2.791 1.00 0.00 C ATOM 1175 C ALA A 77 0.628 -3.337 -2.919 1.00 0.00 C ATOM 1176 O ALA A 77 0.423 -2.453 -3.751 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.142 -4.412 -1.515 1.00 0.00 C ATOM 0 H ALA A 77 0.676 -6.134 -1.893 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.998 -4.508 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.683 -3.466 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.853 -5.236 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.478 -4.454 -0.651 1.00 0.00 H new ATOM 1183 N ARG A 78 1.666 -3.325 -2.089 1.00 0.00 N ATOM 1184 CA ARG A 78 2.646 -2.245 -2.108 1.00 0.00 C ATOM 1185 C ARG A 78 3.269 -2.102 -3.494 1.00 0.00 C ATOM 1186 O ARG A 78 3.799 -1.046 -3.840 1.00 0.00 O ATOM 1187 CB ARG A 78 3.739 -2.502 -1.070 1.00 0.00 C ATOM 1188 CG ARG A 78 4.885 -3.355 -1.589 1.00 0.00 C ATOM 1189 CD ARG A 78 5.982 -2.499 -2.205 1.00 0.00 C ATOM 1190 NE ARG A 78 6.696 -3.204 -3.266 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.937 -2.910 -3.639 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.598 -1.930 -3.037 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.519 -3.596 -4.613 1.00 0.00 N ATOM 0 H ARG A 78 1.850 -4.050 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 78 2.132 -1.316 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.135 -1.546 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.296 -2.992 -0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.299 -3.946 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.509 -4.058 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.545 -1.585 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.688 -2.201 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 78 6.216 -3.964 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.154 -1.401 -2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.551 -1.706 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.014 -4.351 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.472 -3.369 -4.898 1.00 0.00 H new ATOM 1207 N ASP A 79 3.201 -3.169 -4.281 1.00 0.00 N ATOM 1208 CA ASP A 79 3.758 -3.162 -5.629 1.00 0.00 C ATOM 1209 C ASP A 79 2.985 -2.205 -6.531 1.00 0.00 C ATOM 1210 O ASP A 79 3.576 -1.404 -7.253 1.00 0.00 O ATOM 1211 CB ASP A 79 3.735 -4.572 -6.221 1.00 0.00 C ATOM 1212 CG ASP A 79 3.894 -4.570 -7.729 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.005 -4.260 -8.207 1.00 0.00 O ATOM 1214 OD2 ASP A 79 2.908 -4.877 -8.430 1.00 0.00 O ATOM 0 H ASP A 79 2.766 -4.050 -4.009 1.00 0.00 H new ATOM 0 HA ASP A 79 4.791 -2.820 -5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.535 -5.163 -5.775 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.795 -5.058 -5.958 1.00 0.00 H new ATOM 1219 N ALA A 80 1.660 -2.297 -6.485 1.00 0.00 N ATOM 1220 CA ALA A 80 0.806 -1.438 -7.296 1.00 0.00 C ATOM 1221 C ALA A 80 1.088 0.035 -7.022 1.00 0.00 C ATOM 1222 O ALA A 80 1.486 0.778 -7.918 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.660 -1.755 -7.037 1.00 0.00 C ATOM 0 H ALA A 80 1.155 -2.958 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 80 1.029 -1.633 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.286 -1.106 -7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.858 -2.796 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.887 -1.590 -5.984 1.00 0.00 H new ATOM 1229 N ILE A 81 0.878 0.450 -5.777 1.00 0.00 N ATOM 1230 CA ILE A 81 1.110 1.835 -5.385 1.00 0.00 C ATOM 1231 C ILE A 81 2.298 2.427 -6.136 1.00 0.00 C ATOM 1232 O ILE A 81 2.280 3.595 -6.525 1.00 0.00 O ATOM 1233 CB ILE A 81 1.362 1.957 -3.871 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.157 1.430 -3.088 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.653 3.402 -3.496 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.390 1.362 -1.595 1.00 0.00 C ATOM 0 H ILE A 81 0.548 -0.153 -5.023 1.00 0.00 H new ATOM 0 HA ILE A 81 0.208 2.391 -5.641 1.00 0.00 H new ATOM 0 HB ILE A 81 2.232 1.354 -3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.702 2.071 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.097 0.435 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.829 3.471 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.538 3.746 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.801 4.026 -3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.505 0.980 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.229 0.698 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.614 2.359 -1.216 1.00 0.00 H new ATOM 1248 N LEU A 82 3.328 1.613 -6.337 1.00 0.00 N ATOM 1249 CA LEU A 82 4.526 2.056 -7.043 1.00 0.00 C ATOM 1250 C LEU A 82 4.307 2.031 -8.553 1.00 0.00 C ATOM 1251 O LEU A 82 4.488 3.042 -9.233 1.00 0.00 O ATOM 1252 CB LEU A 82 5.716 1.169 -6.675 1.00 0.00 C ATOM 1253 CG LEU A 82 5.976 0.982 -5.180 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.095 -0.022 -4.954 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.313 2.315 -4.526 1.00 0.00 C ATOM 0 H LEU A 82 3.358 0.643 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 82 4.738 3.082 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.564 0.187 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.612 1.591 -7.129 1.00 0.00 H new ATOM 0 HG LEU A 82 5.068 0.593 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.266 -0.142 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.815 -0.982 -5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.008 0.338 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.495 2.163 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.206 2.733 -4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.480 3.005 -4.656 1.00 0.00 H new ATOM 1267 N ARG A 83 3.916 0.872 -9.071 1.00 0.00 N ATOM 1268 CA ARG A 83 3.672 0.715 -10.499 1.00 0.00 C ATOM 1269 C ARG A 83 2.994 1.956 -11.074 1.00 0.00 C ATOM 1270 O ARG A 83 3.389 2.461 -12.125 1.00 0.00 O ATOM 1271 CB ARG A 83 2.806 -0.518 -10.759 1.00 0.00 C ATOM 1272 CG ARG A 83 2.863 -1.011 -12.196 1.00 0.00 C ATOM 1273 CD ARG A 83 1.643 -1.849 -12.545 1.00 0.00 C ATOM 1274 NE ARG A 83 1.590 -2.167 -13.970 1.00 0.00 N ATOM 1275 CZ ARG A 83 0.545 -2.744 -14.555 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -0.526 -3.064 -13.842 1.00 0.00 N ATOM 1277 NH2 ARG A 83 0.571 -3.002 -15.856 1.00 0.00 N ATOM 0 H ARG A 83 3.761 0.026 -8.522 1.00 0.00 H new ATOM 0 HA ARG A 83 4.635 0.585 -10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.125 -1.322 -10.095 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.772 -0.285 -10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.926 -0.158 -12.872 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.767 -1.602 -12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.660 -2.773 -11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.739 -1.311 -12.259 1.00 0.00 H new ATOM 0 HE ARG A 83 2.398 -1.934 -14.547 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.550 -2.868 -12.841 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -1.326 -3.507 -14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.393 -2.758 -16.408 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.231 -3.445 -16.304 1.00 0.00 H new ATOM 1291 N ILE A 84 1.971 2.441 -10.377 1.00 0.00 N ATOM 1292 CA ILE A 84 1.239 3.622 -10.817 1.00 0.00 C ATOM 1293 C ILE A 84 2.154 4.840 -10.891 1.00 0.00 C ATOM 1294 O ILE A 84 2.344 5.423 -11.958 1.00 0.00 O ATOM 1295 CB ILE A 84 0.060 3.936 -9.879 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.860 2.719 -9.754 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.716 5.142 -10.387 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.588 2.645 -8.431 1.00 0.00 C ATOM 0 H ILE A 84 1.631 2.034 -9.506 1.00 0.00 H new ATOM 0 HA ILE A 84 0.852 3.400 -11.811 1.00 0.00 H new ATOM 0 HB ILE A 84 0.455 4.173 -8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.592 2.743 -10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.269 1.812 -9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.546 5.351 -9.712 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.056 6.008 -10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.103 4.932 -11.384 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.221 1.758 -8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.863 2.589 -7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.206 3.534 -8.305 1.00 0.00 H new ATOM 1310 N VAL A 85 2.720 5.218 -9.749 1.00 0.00 N ATOM 1311 CA VAL A 85 3.617 6.365 -9.683 1.00 0.00 C ATOM 1312 C VAL A 85 4.435 6.498 -10.964 1.00 0.00 C ATOM 1313 O VAL A 85 4.326 7.491 -11.682 1.00 0.00 O ATOM 1314 CB VAL A 85 4.577 6.258 -8.484 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.615 7.370 -8.530 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.802 6.296 -7.176 1.00 0.00 C ATOM 0 H VAL A 85 2.573 4.746 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 85 2.991 7.249 -9.561 1.00 0.00 H new ATOM 0 HB VAL A 85 5.099 5.303 -8.543 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.285 7.278 -7.675 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.191 7.292 -9.452 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.114 8.337 -8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.496 6.219 -6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.252 7.234 -7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.101 5.462 -7.144 1.00 0.00 H new ATOM 1326 N GLY A 86 5.252 5.488 -11.244 1.00 0.00 N ATOM 1327 CA GLY A 86 6.076 5.510 -12.440 1.00 0.00 C ATOM 1328 C GLY A 86 5.349 6.096 -13.634 1.00 0.00 C ATOM 1329 O GLY A 86 5.867 6.984 -14.309 1.00 0.00 O ATOM 0 H GLY A 86 5.359 4.655 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.977 6.092 -12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.396 4.495 -12.676 1.00 0.00 H new ATOM 1333 N GLU A 87 4.145 5.596 -13.895 1.00 0.00 N ATOM 1334 CA GLU A 87 3.348 6.075 -15.018 1.00 0.00 C ATOM 1335 C GLU A 87 2.967 7.540 -14.829 1.00 0.00 C ATOM 1336 O GLU A 87 3.301 8.391 -15.655 1.00 0.00 O ATOM 1337 CB GLU A 87 2.085 5.224 -15.175 1.00 0.00 C ATOM 1338 CG GLU A 87 2.255 3.790 -14.702 1.00 0.00 C ATOM 1339 CD GLU A 87 3.536 3.156 -15.209 1.00 0.00 C ATOM 1340 OE1 GLU A 87 3.938 3.463 -16.351 1.00 0.00 O ATOM 1341 OE2 GLU A 87 4.137 2.355 -14.464 1.00 0.00 O ATOM 0 H GLU A 87 3.701 4.861 -13.345 1.00 0.00 H new ATOM 0 HA GLU A 87 3.951 5.988 -15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.272 5.688 -14.616 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.788 5.219 -16.224 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.250 3.768 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.404 3.198 -15.037 1.00 0.00 H new ATOM 1348 N LEU A 88 2.264 7.827 -13.740 1.00 0.00 N ATOM 1349 CA LEU A 88 1.836 9.189 -13.442 1.00 0.00 C ATOM 1350 C LEU A 88 2.893 10.199 -13.876 1.00 0.00 C ATOM 1351 O LEU A 88 2.571 11.249 -14.432 1.00 0.00 O ATOM 1352 CB LEU A 88 1.554 9.341 -11.945 1.00 0.00 C ATOM 1353 CG LEU A 88 0.682 8.255 -11.313 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.510 8.508 -9.824 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.672 8.190 -12.005 1.00 0.00 C ATOM 0 H LEU A 88 1.978 7.134 -13.048 1.00 0.00 H new ATOM 0 HA LEU A 88 0.920 9.386 -14.000 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.507 9.367 -11.417 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.073 10.306 -11.782 1.00 0.00 H new ATOM 0 HG LEU A 88 1.181 7.294 -11.442 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.113 7.725 -9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.486 8.504 -9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.034 9.477 -9.672 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.280 7.412 -11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.177 9.151 -11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.530 7.960 -13.061 1.00 0.00 H new