USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 91 LYS NZ :NH3+ -133:sc= 0.278 (180deg=-0.0562) USER MOD Set 1.2: A 94 TYR OH : rot 127:sc= 1.6 USER MOD Set 2.1: A 44 SER OG : rot 94:sc= 1.24 USER MOD Set 2.2: A 49 GLN : amide:sc= 0.134! C(o=1.4!,f=-0.41!) USER MOD Single : A 11 THR OG1 : rot 122:sc= 1.16 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -1.28 F(o=-1.9,f=-1.3) USER MOD Single : A 40 SER OG : rot -99:sc= 0.611 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 0.684 (180deg=-0.644!) USER MOD Single : A 55 GLN : amide:sc= 0.568 K(o=0.57,f=-6.6!) USER MOD Single : A 56 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -5.68! C(o=-5.7!,f=-8.2!) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.0523 F(o=-1.3,f=-0.052) USER MOD Single : A 74 THR OG1 : rot 172:sc= -0.65 USER MOD Single : A 77 HIS : no HE2:sc= -3.64 K(o=-3.6,f=-7.2!) USER MOD Single : A 84 THR OG1 : rot 147:sc= 0.502 USER MOD Single : A 90 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.114) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -60:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 12.055 -7.041 1.908 1.00 0.00 N ATOM 145 CA THR A 11 11.907 -8.452 1.565 1.00 0.00 C ATOM 146 C THR A 11 10.672 -8.992 2.291 1.00 0.00 C ATOM 147 O THR A 11 10.076 -8.288 3.081 1.00 0.00 O ATOM 148 CB THR A 11 13.174 -9.211 2.009 1.00 0.00 C ATOM 149 OG1 THR A 11 14.300 -8.355 2.140 1.00 0.00 O ATOM 150 CG2 THR A 11 13.572 -10.319 1.035 1.00 0.00 C ATOM 0 HA THR A 11 11.782 -8.583 0.490 1.00 0.00 H new ATOM 0 HB THR A 11 12.906 -9.639 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.647 -8.408 3.055 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.470 -10.818 1.399 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.761 -11.043 0.956 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.769 -9.887 0.054 1.00 0.00 H new ATOM 158 N ALA A 12 10.264 -10.235 2.074 1.00 0.00 N ATOM 159 CA ALA A 12 9.049 -10.816 2.669 1.00 0.00 C ATOM 160 C ALA A 12 9.059 -10.794 4.183 1.00 0.00 C ATOM 161 O ALA A 12 8.140 -10.244 4.786 1.00 0.00 O ATOM 162 CB ALA A 12 8.850 -12.239 2.148 1.00 0.00 C ATOM 0 H ALA A 12 10.769 -10.885 1.472 1.00 0.00 H new ATOM 0 HA ALA A 12 8.209 -10.191 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.950 -12.666 2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.746 -12.218 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.712 -12.849 2.418 1.00 0.00 H new ATOM 168 N ALA A 13 10.084 -11.359 4.799 1.00 0.00 N ATOM 169 CA ALA A 13 10.158 -11.385 6.249 1.00 0.00 C ATOM 170 C ALA A 13 10.499 -9.985 6.782 1.00 0.00 C ATOM 171 O ALA A 13 10.150 -9.649 7.921 1.00 0.00 O ATOM 172 CB ALA A 13 11.165 -12.458 6.663 1.00 0.00 C ATOM 0 H ALA A 13 10.869 -11.802 4.322 1.00 0.00 H new ATOM 0 HA ALA A 13 9.197 -11.648 6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.234 -12.492 7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.837 -13.428 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.143 -12.220 6.245 1.00 0.00 H new ATOM 178 N GLU A 14 11.121 -9.150 5.938 1.00 0.00 N ATOM 179 CA GLU A 14 11.430 -7.762 6.226 1.00 0.00 C ATOM 180 C GLU A 14 10.139 -6.940 6.219 1.00 0.00 C ATOM 181 O GLU A 14 10.018 -5.995 6.989 1.00 0.00 O ATOM 182 CB GLU A 14 12.378 -7.240 5.127 1.00 0.00 C ATOM 183 CG GLU A 14 13.774 -6.805 5.583 1.00 0.00 C ATOM 184 CD GLU A 14 14.784 -7.950 5.612 1.00 0.00 C ATOM 185 OE1 GLU A 14 15.189 -8.464 4.548 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.237 -8.328 6.716 1.00 0.00 O ATOM 0 H GLU A 14 11.428 -9.441 5.010 1.00 0.00 H new ATOM 0 HA GLU A 14 11.902 -7.675 7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.492 -8.021 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.899 -6.392 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.140 -6.024 4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.703 -6.367 6.579 1.00 0.00 H new ATOM 193 N ILE A 15 9.190 -7.279 5.346 1.00 0.00 N ATOM 194 CA ILE A 15 7.893 -6.668 5.169 1.00 0.00 C ATOM 195 C ILE A 15 7.045 -7.099 6.332 1.00 0.00 C ATOM 196 O ILE A 15 6.499 -6.234 7.010 1.00 0.00 O ATOM 197 CB ILE A 15 7.292 -7.053 3.784 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.869 -6.080 2.751 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.755 -7.064 3.751 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.532 -6.441 1.298 1.00 0.00 C ATOM 0 H ILE A 15 9.331 -8.053 4.696 1.00 0.00 H new ATOM 0 HA ILE A 15 7.952 -5.580 5.160 1.00 0.00 H new ATOM 0 HB ILE A 15 7.571 -8.082 3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.495 -5.078 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.953 -6.046 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.414 -7.341 2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.381 -7.787 4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.379 -6.072 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.976 -5.705 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.930 -7.429 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.450 -6.446 1.166 1.00 0.00 H new ATOM 212 N GLU A 16 6.944 -8.403 6.575 1.00 0.00 N ATOM 213 CA GLU A 16 6.132 -8.851 7.688 1.00 0.00 C ATOM 214 C GLU A 16 6.565 -8.196 8.987 1.00 0.00 C ATOM 215 O GLU A 16 5.717 -7.588 9.623 1.00 0.00 O ATOM 216 CB GLU A 16 6.137 -10.354 7.860 1.00 0.00 C ATOM 217 CG GLU A 16 5.337 -11.087 6.775 1.00 0.00 C ATOM 218 CD GLU A 16 4.805 -12.412 7.316 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.592 -13.211 7.872 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.576 -12.639 7.283 1.00 0.00 O ATOM 0 H GLU A 16 7.398 -9.140 6.035 1.00 0.00 H new ATOM 0 HA GLU A 16 5.113 -8.548 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.167 -10.712 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.725 -10.603 8.838 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.508 -10.463 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.970 -11.268 5.906 1.00 0.00 H new ATOM 227 N GLN A 17 7.842 -8.257 9.383 1.00 0.00 N ATOM 228 CA GLN A 17 8.229 -7.660 10.657 1.00 0.00 C ATOM 229 C GLN A 17 8.227 -6.135 10.527 1.00 0.00 C ATOM 230 O GLN A 17 7.900 -5.419 11.483 1.00 0.00 O ATOM 231 CB GLN A 17 9.596 -8.212 11.057 1.00 0.00 C ATOM 232 CG GLN A 17 10.126 -7.752 12.421 1.00 0.00 C ATOM 233 CD GLN A 17 9.434 -8.447 13.588 1.00 0.00 C ATOM 234 OE1 GLN A 17 8.283 -8.162 13.909 1.00 0.00 O ATOM 235 NE2 GLN A 17 10.132 -9.339 14.267 1.00 0.00 N ATOM 0 H GLN A 17 8.598 -8.698 8.858 1.00 0.00 H new ATOM 0 HA GLN A 17 7.519 -7.915 11.444 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.542 -9.301 11.057 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.320 -7.929 10.292 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.198 -7.944 12.473 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.991 -6.674 12.514 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.086 -9.562 13.985 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.717 -9.805 15.074 1.00 0.00 H new ATOM 244 N GLY A 18 8.532 -5.638 9.328 1.00 0.00 N ATOM 245 CA GLY A 18 8.672 -4.237 9.017 1.00 0.00 C ATOM 246 C GLY A 18 7.365 -3.512 9.236 1.00 0.00 C ATOM 247 O GLY A 18 7.367 -2.346 9.646 1.00 0.00 O ATOM 0 H GLY A 18 8.693 -6.238 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.448 -3.796 9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.991 -4.119 7.981 1.00 0.00 H new ATOM 251 N PHE A 19 6.260 -4.210 8.958 1.00 0.00 N ATOM 252 CA PHE A 19 4.939 -3.617 8.859 1.00 0.00 C ATOM 253 C PHE A 19 3.916 -4.355 9.732 1.00 0.00 C ATOM 254 O PHE A 19 2.717 -4.086 9.648 1.00 0.00 O ATOM 255 CB PHE A 19 4.608 -3.539 7.362 1.00 0.00 C ATOM 256 CG PHE A 19 5.660 -2.760 6.574 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.998 -1.442 6.932 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.407 -3.392 5.567 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.020 -0.751 6.261 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.467 -2.722 4.927 1.00 0.00 C ATOM 261 CZ PHE A 19 7.753 -1.387 5.246 1.00 0.00 C ATOM 0 H PHE A 19 6.267 -5.217 8.794 1.00 0.00 H new ATOM 0 HA PHE A 19 4.906 -2.606 9.266 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.528 -4.548 6.957 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.635 -3.065 7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.464 -0.955 7.734 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.165 -4.405 5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.243 0.272 6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.062 -3.238 4.188 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.529 -0.854 4.717 1.00 0.00 H new ATOM 271 N LYS A 20 4.388 -5.241 10.617 1.00 0.00 N ATOM 272 CA LYS A 20 3.617 -5.994 11.609 1.00 0.00 C ATOM 273 C LYS A 20 2.836 -5.161 12.619 1.00 0.00 C ATOM 274 O LYS A 20 2.054 -5.714 13.393 1.00 0.00 O ATOM 275 CB LYS A 20 4.534 -7.015 12.321 1.00 0.00 C ATOM 276 CG LYS A 20 3.956 -8.432 12.211 1.00 0.00 C ATOM 277 CD LYS A 20 4.937 -9.458 12.786 1.00 0.00 C ATOM 278 CE LYS A 20 4.341 -10.870 12.768 1.00 0.00 C ATOM 279 NZ LYS A 20 4.305 -11.473 11.421 1.00 0.00 N ATOM 0 H LYS A 20 5.382 -5.464 10.661 1.00 0.00 H new ATOM 0 HA LYS A 20 2.841 -6.505 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.530 -6.988 11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.644 -6.742 13.371 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.008 -8.487 12.746 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.747 -8.666 11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.861 -9.444 12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.196 -9.183 13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.924 -11.511 13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.328 -10.834 13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.892 -12.426 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.726 -10.882 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.272 -11.537 11.043 1.00 0.00 H new ATOM 293 N ASP A 21 2.992 -3.845 12.606 1.00 0.00 N ATOM 294 CA ASP A 21 2.244 -2.958 13.490 1.00 0.00 C ATOM 295 C ASP A 21 0.824 -2.755 12.960 1.00 0.00 C ATOM 296 O ASP A 21 -0.092 -2.566 13.757 1.00 0.00 O ATOM 297 CB ASP A 21 2.931 -1.595 13.612 1.00 0.00 C ATOM 298 CG ASP A 21 2.065 -0.583 14.374 1.00 0.00 C ATOM 299 OD1 ASP A 21 1.482 -0.907 15.435 1.00 0.00 O ATOM 300 OD2 ASP A 21 1.942 0.573 13.904 1.00 0.00 O ATOM 0 H ASP A 21 3.639 -3.361 11.984 1.00 0.00 H new ATOM 0 HA ASP A 21 2.207 -3.426 14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.886 -1.714 14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.150 -1.209 12.617 1.00 0.00 H new ATOM 305 N VAL A 22 0.588 -2.834 11.651 1.00 0.00 N ATOM 306 CA VAL A 22 -0.771 -2.798 11.093 1.00 0.00 C ATOM 307 C VAL A 22 -1.164 -4.252 10.757 1.00 0.00 C ATOM 308 O VAL A 22 -0.307 -5.138 10.857 1.00 0.00 O ATOM 309 CB VAL A 22 -0.835 -1.801 9.907 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.923 -0.728 10.092 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.455 -0.985 9.735 1.00 0.00 C ATOM 0 H VAL A 22 1.323 -2.924 10.950 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.509 -2.418 11.800 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.028 -2.449 9.052 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.923 -0.058 9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.898 -1.209 10.177 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.720 -0.157 10.998 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.346 -0.306 8.889 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.644 -0.409 10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.291 -1.660 9.553 1.00 0.00 H new ATOM 321 N PRO A 23 -2.424 -4.568 10.406 1.00 0.00 N ATOM 322 CA PRO A 23 -2.752 -5.909 9.961 1.00 0.00 C ATOM 323 C PRO A 23 -2.192 -6.124 8.555 1.00 0.00 C ATOM 324 O PRO A 23 -1.649 -5.213 7.917 1.00 0.00 O ATOM 325 CB PRO A 23 -4.277 -5.992 9.996 1.00 0.00 C ATOM 326 CG PRO A 23 -4.674 -4.577 9.607 1.00 0.00 C ATOM 327 CD PRO A 23 -3.574 -3.702 10.206 1.00 0.00 C ATOM 0 HA PRO A 23 -2.319 -6.687 10.590 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.662 -6.732 9.295 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.649 -6.264 10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.729 -4.462 8.524 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.654 -4.314 10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.327 -2.877 9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.898 -3.262 11.149 1.00 0.00 H new ATOM 335 N SER A 24 -2.386 -7.340 8.070 1.00 0.00 N ATOM 336 CA SER A 24 -2.113 -7.716 6.707 1.00 0.00 C ATOM 337 C SER A 24 -3.391 -8.324 6.139 1.00 0.00 C ATOM 338 O SER A 24 -4.127 -9.016 6.854 1.00 0.00 O ATOM 339 CB SER A 24 -0.920 -8.684 6.678 1.00 0.00 C ATOM 340 OG SER A 24 -1.089 -9.812 7.522 1.00 0.00 O ATOM 0 H SER A 24 -2.748 -8.108 8.635 1.00 0.00 H new ATOM 0 HA SER A 24 -1.834 -6.862 6.090 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.763 -9.025 5.655 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.019 -8.148 6.977 1.00 0.00 H new ATOM 0 HG SER A 24 -0.300 -10.389 7.459 1.00 0.00 H new ATOM 346 N PHE A 25 -3.645 -8.106 4.857 1.00 0.00 N ATOM 347 CA PHE A 25 -4.786 -8.636 4.134 1.00 0.00 C ATOM 348 C PHE A 25 -4.290 -9.702 3.177 1.00 0.00 C ATOM 349 O PHE A 25 -3.142 -9.663 2.731 1.00 0.00 O ATOM 350 CB PHE A 25 -5.428 -7.478 3.377 1.00 0.00 C ATOM 351 CG PHE A 25 -6.481 -7.806 2.339 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.818 -8.005 2.725 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.136 -7.815 0.973 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.808 -8.200 1.748 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.129 -7.996 -0.002 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.466 -8.185 0.386 1.00 0.00 C ATOM 0 H PHE A 25 -3.037 -7.533 4.272 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.522 -9.083 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.878 -6.808 4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.633 -6.921 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.084 -8.008 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.106 -7.682 0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.834 -8.362 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.866 -7.990 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.232 -8.319 -0.364 1.00 0.00 H new ATOM 366 N VAL A 26 -5.187 -10.601 2.814 1.00 0.00 N ATOM 367 CA VAL A 26 -5.005 -11.633 1.828 1.00 0.00 C ATOM 368 C VAL A 26 -6.305 -11.763 1.038 1.00 0.00 C ATOM 369 O VAL A 26 -7.385 -11.793 1.636 1.00 0.00 O ATOM 370 CB VAL A 26 -4.555 -12.924 2.533 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.663 -13.669 3.281 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.875 -13.887 1.550 1.00 0.00 C ATOM 0 H VAL A 26 -6.118 -10.625 3.230 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.220 -11.396 1.110 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.846 -12.584 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.250 -14.565 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.081 -13.021 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.448 -13.953 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.568 -14.790 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.574 -14.151 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.999 -13.405 1.116 1.00 0.00 H new ATOM 382 N HIS A 27 -6.224 -11.832 -0.293 1.00 0.00 N ATOM 383 CA HIS A 27 -7.349 -12.304 -1.095 1.00 0.00 C ATOM 384 C HIS A 27 -6.928 -13.457 -2.010 1.00 0.00 C ATOM 385 O HIS A 27 -5.812 -13.953 -1.938 1.00 0.00 O ATOM 386 CB HIS A 27 -7.999 -11.132 -1.834 1.00 0.00 C ATOM 387 CG HIS A 27 -7.140 -10.426 -2.851 1.00 0.00 C ATOM 388 ND1 HIS A 27 -5.923 -10.822 -3.347 1.00 0.00 N flip ATOM 389 CD2 HIS A 27 -7.454 -9.220 -3.433 1.00 0.00 C flip ATOM 390 CE1 HIS A 27 -5.492 -9.837 -4.227 1.00 0.00 C flip ATOM 391 NE2 HIS A 27 -6.439 -8.897 -4.244 1.00 0.00 N flip ATOM 0 H HIS A 27 -5.399 -11.569 -0.831 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.115 -12.719 -0.440 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.894 -11.499 -2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.326 -10.400 -1.095 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.351 -8.642 -3.267 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.569 -9.833 -4.788 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.395 -8.044 -4.802 1.00 0.00 H new ATOM 399 N GLU A 28 -7.809 -13.858 -2.913 1.00 0.00 N ATOM 400 CA GLU A 28 -7.649 -14.998 -3.822 1.00 0.00 C ATOM 401 C GLU A 28 -7.217 -14.559 -5.234 1.00 0.00 C ATOM 402 O GLU A 28 -7.318 -15.332 -6.186 1.00 0.00 O ATOM 403 CB GLU A 28 -8.974 -15.787 -3.843 1.00 0.00 C ATOM 404 CG GLU A 28 -9.319 -16.434 -2.488 1.00 0.00 C ATOM 405 CD GLU A 28 -8.295 -17.480 -2.026 1.00 0.00 C ATOM 406 OE1 GLU A 28 -7.628 -18.104 -2.882 1.00 0.00 O ATOM 407 OE2 GLU A 28 -8.190 -17.722 -0.804 1.00 0.00 O ATOM 0 H GLU A 28 -8.700 -13.379 -3.044 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.846 -15.640 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.783 -15.117 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.914 -16.565 -4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.395 -15.653 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.299 -16.905 -2.559 1.00 0.00 H new ATOM 414 N GLY A 29 -6.781 -13.307 -5.387 1.00 0.00 N ATOM 415 CA GLY A 29 -6.489 -12.681 -6.670 1.00 0.00 C ATOM 416 C GLY A 29 -5.038 -12.849 -7.109 1.00 0.00 C ATOM 417 O GLY A 29 -4.193 -13.317 -6.344 1.00 0.00 O ATOM 0 H GLY A 29 -6.618 -12.685 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.143 -13.107 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.722 -11.618 -6.609 1.00 0.00 H new ATOM 421 N GLY A 30 -4.747 -12.433 -8.341 1.00 0.00 N ATOM 422 CA GLY A 30 -3.408 -12.285 -8.886 1.00 0.00 C ATOM 423 C GLY A 30 -3.088 -10.808 -8.856 1.00 0.00 C ATOM 424 O GLY A 30 -2.397 -10.349 -7.947 1.00 0.00 O ATOM 0 H GLY A 30 -5.473 -12.180 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.686 -12.850 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.360 -12.671 -9.904 1.00 0.00 H new ATOM 428 N ASP A 31 -3.507 -10.091 -9.898 1.00 0.00 N ATOM 429 CA ASP A 31 -3.621 -8.643 -9.928 1.00 0.00 C ATOM 430 C ASP A 31 -5.021 -8.232 -9.520 1.00 0.00 C ATOM 431 O ASP A 31 -5.963 -8.995 -9.709 1.00 0.00 O ATOM 432 CB ASP A 31 -3.205 -8.019 -11.253 1.00 0.00 C ATOM 433 CG ASP A 31 -4.116 -8.398 -12.410 1.00 0.00 C ATOM 434 OD1 ASP A 31 -3.864 -9.482 -12.987 1.00 0.00 O ATOM 435 OD2 ASP A 31 -5.035 -7.622 -12.745 1.00 0.00 O ATOM 0 H ASP A 31 -3.786 -10.526 -10.777 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.907 -8.249 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.195 -6.934 -11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.186 -8.326 -11.487 1.00 0.00 H new ATOM 440 N VAL A 32 -5.141 -7.050 -8.913 1.00 0.00 N ATOM 441 CA VAL A 32 -6.403 -6.369 -8.673 1.00 0.00 C ATOM 442 C VAL A 32 -6.065 -4.900 -8.394 1.00 0.00 C ATOM 443 O VAL A 32 -4.982 -4.640 -7.874 1.00 0.00 O ATOM 444 CB VAL A 32 -7.180 -7.103 -7.559 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.548 -6.247 -6.339 1.00 0.00 C ATOM 446 CG2 VAL A 32 -8.476 -7.736 -8.086 1.00 0.00 C ATOM 0 H VAL A 32 -4.335 -6.529 -8.567 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.080 -6.386 -9.527 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.471 -7.862 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.091 -6.857 -5.617 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.639 -5.861 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.176 -5.414 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.992 -8.242 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.121 -6.958 -8.496 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.237 -8.458 -8.867 1.00 0.00 H new ATOM 456 N PRO A 33 -6.950 -3.930 -8.677 1.00 0.00 N ATOM 457 CA PRO A 33 -6.657 -2.519 -8.466 1.00 0.00 C ATOM 458 C PRO A 33 -6.299 -2.189 -7.016 1.00 0.00 C ATOM 459 O PRO A 33 -7.014 -2.611 -6.095 1.00 0.00 O ATOM 460 CB PRO A 33 -7.911 -1.774 -8.929 1.00 0.00 C ATOM 461 CG PRO A 33 -8.601 -2.750 -9.881 1.00 0.00 C ATOM 462 CD PRO A 33 -8.256 -4.109 -9.284 1.00 0.00 C ATOM 0 HA PRO A 33 -5.773 -2.220 -9.029 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.554 -1.517 -8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.656 -0.841 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.678 -2.586 -9.917 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.229 -2.651 -10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.996 -4.415 -8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.232 -4.883 -10.051 1.00 0.00 H new ATOM 470 N LEU A 34 -5.297 -1.310 -6.814 1.00 0.00 N ATOM 471 CA LEU A 34 -5.019 -0.741 -5.492 1.00 0.00 C ATOM 472 C LEU A 34 -6.292 -0.185 -4.831 1.00 0.00 C ATOM 473 O LEU A 34 -6.485 -0.349 -3.634 1.00 0.00 O ATOM 474 CB LEU A 34 -3.769 0.168 -5.492 1.00 0.00 C ATOM 475 CG LEU A 34 -3.883 1.648 -5.899 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.491 2.290 -5.908 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.512 1.859 -7.280 1.00 0.00 C ATOM 0 H LEU A 34 -4.672 -0.983 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.721 -1.543 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.351 0.142 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.035 -0.293 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.538 2.112 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.575 3.338 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.053 2.222 -4.912 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.854 1.767 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.560 2.926 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.906 1.360 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.519 1.441 -7.289 1.00 0.00 H new ATOM 489 N VAL A 35 -7.230 0.336 -5.625 1.00 0.00 N ATOM 490 CA VAL A 35 -8.520 0.918 -5.239 1.00 0.00 C ATOM 491 C VAL A 35 -9.589 -0.093 -4.824 1.00 0.00 C ATOM 492 O VAL A 35 -10.572 0.314 -4.194 1.00 0.00 O ATOM 493 CB VAL A 35 -8.946 1.925 -6.342 1.00 0.00 C ATOM 494 CG1 VAL A 35 -8.986 1.325 -7.756 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.273 2.647 -6.088 1.00 0.00 C ATOM 0 H VAL A 35 -7.098 0.365 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.395 1.464 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.144 2.661 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.292 2.091 -8.468 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.996 0.957 -8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.699 0.501 -7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.481 3.327 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.076 1.915 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.207 3.214 -5.159 1.00 0.00 H new ATOM 505 N GLU A 36 -9.379 -1.386 -5.060 1.00 0.00 N ATOM 506 CA GLU A 36 -10.230 -2.427 -4.509 1.00 0.00 C ATOM 507 C GLU A 36 -9.520 -3.085 -3.333 1.00 0.00 C ATOM 508 O GLU A 36 -10.133 -3.259 -2.278 1.00 0.00 O ATOM 509 CB GLU A 36 -10.628 -3.459 -5.581 1.00 0.00 C ATOM 510 CG GLU A 36 -11.265 -2.868 -6.852 1.00 0.00 C ATOM 511 CD GLU A 36 -12.221 -1.708 -6.561 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.152 -1.863 -5.737 1.00 0.00 O ATOM 513 OE2 GLU A 36 -11.981 -0.577 -7.050 1.00 0.00 O ATOM 0 H GLU A 36 -8.615 -1.737 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.157 -1.976 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.740 -4.023 -5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.328 -4.168 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.476 -2.522 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.806 -3.654 -7.379 1.00 0.00 H new ATOM 520 N LEU A 37 -8.221 -3.399 -3.449 1.00 0.00 N ATOM 521 CA LEU A 37 -7.562 -4.191 -2.429 1.00 0.00 C ATOM 522 C LEU A 37 -7.308 -3.345 -1.216 1.00 0.00 C ATOM 523 O LEU A 37 -7.253 -3.919 -0.145 1.00 0.00 O ATOM 524 CB LEU A 37 -6.309 -4.928 -2.926 1.00 0.00 C ATOM 525 CG LEU A 37 -5.132 -4.114 -3.502 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.385 -3.260 -2.464 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.153 -5.116 -4.123 1.00 0.00 C ATOM 0 H LEU A 37 -7.625 -3.118 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.240 -4.997 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.924 -5.517 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.627 -5.633 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.539 -3.409 -4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.573 -2.721 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.076 -2.547 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.975 -3.906 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.302 -4.580 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.803 -5.807 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.656 -5.675 -4.912 1.00 0.00 H new ATOM 539 N LEU A 38 -7.243 -2.012 -1.314 1.00 0.00 N ATOM 540 CA LEU A 38 -6.997 -1.211 -0.142 1.00 0.00 C ATOM 541 C LEU A 38 -8.316 -0.918 0.584 1.00 0.00 C ATOM 542 O LEU A 38 -8.334 -0.651 1.781 1.00 0.00 O ATOM 543 CB LEU A 38 -6.121 0.019 -0.448 1.00 0.00 C ATOM 544 CG LEU A 38 -6.838 1.376 -0.499 1.00 0.00 C ATOM 545 CD1 LEU A 38 -5.806 2.504 -0.626 1.00 0.00 C ATOM 546 CD2 LEU A 38 -7.817 1.508 -1.649 1.00 0.00 C ATOM 0 H LEU A 38 -7.357 -1.487 -2.181 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.391 -1.779 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.337 0.076 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.629 -0.143 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.405 1.446 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.320 3.465 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.136 2.483 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.228 2.367 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.284 2.493 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.287 1.387 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.585 0.740 -1.563 1.00 0.00 H new ATOM 558 N VAL A 39 -9.434 -0.981 -0.136 1.00 0.00 N ATOM 559 CA VAL A 39 -10.784 -0.844 0.388 1.00 0.00 C ATOM 560 C VAL A 39 -11.093 -2.110 1.176 1.00 0.00 C ATOM 561 O VAL A 39 -11.520 -2.027 2.324 1.00 0.00 O ATOM 562 CB VAL A 39 -11.721 -0.565 -0.815 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.908 -1.513 -1.053 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.261 0.858 -0.777 1.00 0.00 C ATOM 0 H VAL A 39 -9.419 -1.136 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.919 -0.012 1.079 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.045 -0.744 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.466 -1.184 -1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.538 -2.525 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.563 -1.502 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.915 1.022 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.825 1.009 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.431 1.563 -0.814 1.00 0.00 H new ATOM 574 N SER A 40 -10.814 -3.262 0.565 1.00 0.00 N ATOM 575 CA SER A 40 -11.004 -4.572 1.140 1.00 0.00 C ATOM 576 C SER A 40 -10.006 -4.773 2.281 1.00 0.00 C ATOM 577 O SER A 40 -10.389 -5.315 3.315 1.00 0.00 O ATOM 578 CB SER A 40 -10.865 -5.611 0.017 1.00 0.00 C ATOM 579 OG SER A 40 -11.495 -6.838 0.325 1.00 0.00 O ATOM 0 H SER A 40 -10.435 -3.297 -0.381 1.00 0.00 H new ATOM 0 HA SER A 40 -11.997 -4.685 1.575 1.00 0.00 H new ATOM 0 HB2 SER A 40 -11.294 -5.208 -0.900 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.807 -5.790 -0.178 1.00 0.00 H new ATOM 0 HG SER A 40 -10.825 -7.480 0.641 1.00 0.00 H new ATOM 585 N ALA A 41 -8.766 -4.280 2.138 1.00 0.00 N ATOM 586 CA ALA A 41 -7.771 -4.436 3.191 1.00 0.00 C ATOM 587 C ALA A 41 -7.974 -3.433 4.325 1.00 0.00 C ATOM 588 O ALA A 41 -7.487 -3.670 5.432 1.00 0.00 O ATOM 589 CB ALA A 41 -6.368 -4.354 2.598 1.00 0.00 C ATOM 0 H ALA A 41 -8.439 -3.778 1.313 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.897 -5.423 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.630 -4.472 3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.238 -5.146 1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.232 -3.385 2.117 1.00 0.00 H new ATOM 595 N GLY A 42 -8.710 -2.343 4.096 1.00 0.00 N ATOM 596 CA GLY A 42 -9.237 -1.519 5.176 1.00 0.00 C ATOM 597 C GLY A 42 -8.325 -0.343 5.475 1.00 0.00 C ATOM 598 O GLY A 42 -8.236 0.131 6.609 1.00 0.00 O ATOM 0 H GLY A 42 -8.954 -2.012 3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.227 -1.153 4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.356 -2.126 6.073 1.00 0.00 H new ATOM 602 N ILE A 43 -7.687 0.157 4.423 1.00 0.00 N ATOM 603 CA ILE A 43 -6.891 1.361 4.407 1.00 0.00 C ATOM 604 C ILE A 43 -7.928 2.494 4.346 1.00 0.00 C ATOM 605 O ILE A 43 -7.895 3.362 5.215 1.00 0.00 O ATOM 606 CB ILE A 43 -5.950 1.322 3.177 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.786 0.296 3.161 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.316 2.711 2.960 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.202 -1.152 3.399 1.00 0.00 C ATOM 0 H ILE A 43 -7.718 -0.299 3.511 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.240 1.490 5.272 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.629 0.997 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.279 0.359 2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.060 0.580 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.655 2.678 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.102 3.447 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.742 2.991 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.321 -1.793 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.681 -1.237 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.902 -1.462 2.623 1.00 0.00 H new ATOM 621 N SER A 44 -8.908 2.439 3.421 1.00 0.00 N ATOM 622 CA SER A 44 -10.046 3.355 3.448 1.00 0.00 C ATOM 623 C SER A 44 -11.256 2.637 2.861 1.00 0.00 C ATOM 624 O SER A 44 -11.287 2.442 1.652 1.00 0.00 O ATOM 625 CB SER A 44 -9.749 4.632 2.654 1.00 0.00 C ATOM 626 OG SER A 44 -9.388 5.683 3.520 1.00 0.00 O ATOM 0 H SER A 44 -8.926 1.769 2.652 1.00 0.00 H new ATOM 0 HA SER A 44 -10.246 3.651 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.943 4.446 1.944 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.626 4.917 2.073 1.00 0.00 H new ATOM 0 HG SER A 44 -8.412 5.715 3.607 1.00 0.00 H new ATOM 632 N PRO A 45 -12.254 2.239 3.665 1.00 0.00 N ATOM 633 CA PRO A 45 -13.400 1.483 3.169 1.00 0.00 C ATOM 634 C PRO A 45 -14.473 2.367 2.516 1.00 0.00 C ATOM 635 O PRO A 45 -15.329 1.877 1.784 1.00 0.00 O ATOM 636 CB PRO A 45 -13.961 0.798 4.414 1.00 0.00 C ATOM 637 CG PRO A 45 -13.656 1.785 5.541 1.00 0.00 C ATOM 638 CD PRO A 45 -12.337 2.424 5.107 1.00 0.00 C ATOM 0 HA PRO A 45 -13.098 0.789 2.384 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.031 0.614 4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.486 -0.167 4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.446 2.528 5.649 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.560 1.280 6.502 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.313 3.482 5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.492 1.953 5.610 1.00 0.00 H new ATOM 646 N SER A 46 -14.461 3.674 2.782 1.00 0.00 N ATOM 647 CA SER A 46 -15.463 4.590 2.265 1.00 0.00 C ATOM 648 C SER A 46 -14.940 4.991 0.904 1.00 0.00 C ATOM 649 O SER A 46 -13.953 5.718 0.846 1.00 0.00 O ATOM 650 CB SER A 46 -15.668 5.765 3.212 1.00 0.00 C ATOM 651 OG SER A 46 -16.600 6.689 2.685 1.00 0.00 O ATOM 0 H SER A 46 -13.753 4.122 3.363 1.00 0.00 H new ATOM 0 HA SER A 46 -16.454 4.143 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.019 5.401 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.715 6.265 3.387 1.00 0.00 H new ATOM 0 HG SER A 46 -16.714 7.433 3.313 1.00 0.00 H new ATOM 657 N LYS A 47 -15.525 4.495 -0.187 1.00 0.00 N ATOM 658 CA LYS A 47 -14.870 4.552 -1.492 1.00 0.00 C ATOM 659 C LYS A 47 -14.509 5.958 -2.005 1.00 0.00 C ATOM 660 O LYS A 47 -13.629 6.043 -2.855 1.00 0.00 O ATOM 661 CB LYS A 47 -15.626 3.684 -2.517 1.00 0.00 C ATOM 662 CG LYS A 47 -14.680 3.148 -3.609 1.00 0.00 C ATOM 663 CD LYS A 47 -15.335 2.045 -4.452 1.00 0.00 C ATOM 664 CE LYS A 47 -14.393 1.552 -5.559 1.00 0.00 C ATOM 665 NZ LYS A 47 -13.305 0.679 -5.073 1.00 0.00 N ATOM 0 H LYS A 47 -16.444 4.053 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.882 4.116 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.104 2.848 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.420 4.272 -2.978 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.377 3.968 -4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.775 2.758 -3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.612 1.210 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.255 2.423 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.976 1.010 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.956 2.415 -6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.575 0.592 -5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.886 1.092 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.688 -0.263 -4.852 1.00 0.00 H new ATOM 679 N ARG A 48 -15.077 7.066 -1.495 1.00 0.00 N ATOM 680 CA ARG A 48 -14.514 8.395 -1.801 1.00 0.00 C ATOM 681 C ARG A 48 -13.210 8.609 -1.042 1.00 0.00 C ATOM 682 O ARG A 48 -12.217 8.993 -1.659 1.00 0.00 O ATOM 683 CB ARG A 48 -15.505 9.552 -1.554 1.00 0.00 C ATOM 684 CG ARG A 48 -15.043 10.867 -2.236 1.00 0.00 C ATOM 685 CD ARG A 48 -14.088 11.745 -1.400 1.00 0.00 C ATOM 686 NE ARG A 48 -13.328 12.710 -2.218 1.00 0.00 N ATOM 687 CZ ARG A 48 -13.583 14.002 -2.452 1.00 0.00 C ATOM 688 NH1 ARG A 48 -14.757 14.535 -2.111 1.00 0.00 N ATOM 689 NH2 ARG A 48 -12.660 14.762 -3.023 1.00 0.00 N ATOM 0 H ARG A 48 -15.898 7.072 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.306 8.408 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.489 9.274 -1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.610 9.717 -0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.550 10.616 -3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.925 11.456 -2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.664 12.287 -0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.390 11.103 -0.863 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.491 12.340 -2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.470 13.956 -1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.942 15.521 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.759 14.361 -3.283 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.851 15.748 -3.203 1.00 0.00 H new ATOM 703 N GLN A 49 -13.202 8.371 0.278 1.00 0.00 N ATOM 704 CA GLN A 49 -11.972 8.416 1.054 1.00 0.00 C ATOM 705 C GLN A 49 -10.984 7.482 0.387 1.00 0.00 C ATOM 706 O GLN A 49 -9.856 7.907 0.233 1.00 0.00 O ATOM 707 CB GLN A 49 -12.173 8.005 2.525 1.00 0.00 C ATOM 708 CG GLN A 49 -11.676 9.009 3.591 1.00 0.00 C ATOM 709 CD GLN A 49 -10.163 9.268 3.754 1.00 0.00 C ATOM 710 OE1 GLN A 49 -9.760 9.893 4.737 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.298 8.871 2.836 1.00 0.00 N ATOM 0 H GLN A 49 -14.035 8.147 0.822 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.609 9.443 1.075 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.236 7.830 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.665 7.054 2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.149 9.968 3.380 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.054 8.672 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.623 8.353 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.306 9.082 2.945 1.00 0.00 H new ATOM 720 N ALA A 50 -11.401 6.284 -0.046 1.00 0.00 N ATOM 721 CA ALA A 50 -10.557 5.404 -0.826 1.00 0.00 C ATOM 722 C ALA A 50 -10.012 6.165 -2.012 1.00 0.00 C ATOM 723 O ALA A 50 -8.807 6.316 -2.075 1.00 0.00 O ATOM 724 CB ALA A 50 -11.227 4.117 -1.309 1.00 0.00 C ATOM 0 H ALA A 50 -12.331 5.910 0.140 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.764 5.080 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.512 3.528 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.566 3.539 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.081 4.366 -1.939 1.00 0.00 H new ATOM 730 N ARG A 51 -10.835 6.642 -2.954 1.00 0.00 N ATOM 731 CA ARG A 51 -10.248 7.182 -4.172 1.00 0.00 C ATOM 732 C ARG A 51 -9.323 8.357 -3.917 1.00 0.00 C ATOM 733 O ARG A 51 -8.410 8.482 -4.724 1.00 0.00 O ATOM 734 CB ARG A 51 -11.214 7.396 -5.358 1.00 0.00 C ATOM 735 CG ARG A 51 -10.673 6.542 -6.528 1.00 0.00 C ATOM 736 CD ARG A 51 -11.282 6.751 -7.925 1.00 0.00 C ATOM 737 NE ARG A 51 -10.625 5.879 -8.931 1.00 0.00 N ATOM 738 CZ ARG A 51 -9.374 5.996 -9.420 1.00 0.00 C ATOM 739 NH1 ARG A 51 -8.603 7.025 -9.098 1.00 0.00 N ATOM 740 NH2 ARG A 51 -8.880 5.063 -10.233 1.00 0.00 N ATOM 0 H ARG A 51 -11.853 6.664 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.618 6.367 -4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.227 7.092 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.259 8.449 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.600 6.721 -6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.803 5.493 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.350 6.536 -7.895 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.175 7.795 -8.219 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.182 5.105 -9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.953 7.748 -8.469 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.659 7.094 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.449 4.256 -10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.933 5.156 -10.600 1.00 0.00 H new ATOM 754 N GLU A 52 -9.424 9.105 -2.808 1.00 0.00 N ATOM 755 CA GLU A 52 -8.312 10.019 -2.494 1.00 0.00 C ATOM 756 C GLU A 52 -7.162 9.364 -1.741 1.00 0.00 C ATOM 757 O GLU A 52 -6.023 9.767 -1.948 1.00 0.00 O ATOM 758 CB GLU A 52 -8.739 11.329 -1.819 1.00 0.00 C ATOM 759 CG GLU A 52 -8.489 12.539 -2.754 1.00 0.00 C ATOM 760 CD GLU A 52 -9.808 13.272 -3.042 1.00 0.00 C ATOM 761 OE1 GLU A 52 -10.819 12.615 -3.382 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.892 14.505 -2.883 1.00 0.00 O ATOM 0 H GLU A 52 -10.206 9.103 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.932 10.288 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.796 11.280 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.185 11.462 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.778 13.224 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.042 12.199 -3.688 1.00 0.00 H new ATOM 769 N ASP A 53 -7.399 8.343 -0.928 1.00 0.00 N ATOM 770 CA ASP A 53 -6.367 7.534 -0.310 1.00 0.00 C ATOM 771 C ASP A 53 -5.531 6.801 -1.349 1.00 0.00 C ATOM 772 O ASP A 53 -4.417 6.417 -1.016 1.00 0.00 O ATOM 773 CB ASP A 53 -6.968 6.523 0.687 1.00 0.00 C ATOM 774 CG ASP A 53 -6.784 6.878 2.161 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.590 8.070 2.491 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.872 5.955 2.996 1.00 0.00 O ATOM 0 H ASP A 53 -8.343 8.050 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.716 8.217 0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.034 6.426 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.518 5.547 0.506 1.00 0.00 H new ATOM 781 N ILE A 54 -6.035 6.624 -2.577 1.00 0.00 N ATOM 782 CA ILE A 54 -5.265 6.258 -3.737 1.00 0.00 C ATOM 783 C ILE A 54 -4.736 7.511 -4.367 1.00 0.00 C ATOM 784 O ILE A 54 -3.534 7.609 -4.462 1.00 0.00 O ATOM 785 CB ILE A 54 -6.049 5.455 -4.795 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.420 4.071 -4.260 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.259 5.259 -6.100 1.00 0.00 C ATOM 788 CD1 ILE A 54 -7.745 4.131 -3.521 1.00 0.00 C ATOM 0 H ILE A 54 -7.028 6.740 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.468 5.600 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.942 6.041 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.487 3.361 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.639 3.710 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.860 4.687 -6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.020 6.232 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.336 4.719 -5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.997 3.139 -3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.664 4.826 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.526 4.471 -4.201 1.00 0.00 H new ATOM 800 N GLN A 55 -5.582 8.427 -4.849 1.00 0.00 N ATOM 801 CA GLN A 55 -5.168 9.503 -5.738 1.00 0.00 C ATOM 802 C GLN A 55 -4.202 10.454 -5.053 1.00 0.00 C ATOM 803 O GLN A 55 -3.671 11.341 -5.722 1.00 0.00 O ATOM 804 CB GLN A 55 -6.384 10.284 -6.246 1.00 0.00 C ATOM 805 CG GLN A 55 -7.117 9.532 -7.359 1.00 0.00 C ATOM 806 CD GLN A 55 -8.500 10.111 -7.642 1.00 0.00 C ATOM 807 OE1 GLN A 55 -9.454 9.364 -7.831 1.00 0.00 O ATOM 808 NE2 GLN A 55 -8.653 11.424 -7.717 1.00 0.00 N ATOM 0 H GLN A 55 -6.578 8.438 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.656 9.043 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.070 10.468 -5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.062 11.258 -6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.519 9.565 -8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.216 8.483 -7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.856 12.040 -7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.568 11.819 -7.933 1.00 0.00 H new ATOM 817 N ASN A 56 -3.973 10.307 -3.746 1.00 0.00 N ATOM 818 CA ASN A 56 -2.957 11.093 -3.097 1.00 0.00 C ATOM 819 C ASN A 56 -1.600 10.500 -3.273 1.00 0.00 C ATOM 820 O ASN A 56 -1.343 9.361 -2.901 1.00 0.00 O ATOM 821 CB ASN A 56 -3.188 11.255 -1.587 1.00 0.00 C ATOM 822 CG ASN A 56 -3.986 12.503 -1.285 1.00 0.00 C ATOM 823 OD1 ASN A 56 -3.439 13.522 -0.878 1.00 0.00 O ATOM 824 ND2 ASN A 56 -5.278 12.454 -1.517 1.00 0.00 N ATOM 0 H ASN A 56 -4.474 9.660 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.019 12.069 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.714 10.382 -1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.228 11.301 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.856 13.279 -1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.703 11.591 -1.855 1.00 0.00 H new ATOM 831 N GLY A 57 -0.663 11.380 -3.583 1.00 0.00 N ATOM 832 CA GLY A 57 0.748 11.131 -3.512 1.00 0.00 C ATOM 833 C GLY A 57 1.246 11.115 -2.069 1.00 0.00 C ATOM 834 O GLY A 57 2.305 11.649 -1.758 1.00 0.00 O ATOM 0 H GLY A 57 -0.884 12.323 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.973 10.175 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.282 11.898 -4.073 1.00 0.00 H new ATOM 838 N ALA A 58 0.448 10.516 -1.199 1.00 0.00 N ATOM 839 CA ALA A 58 0.780 10.078 0.131 1.00 0.00 C ATOM 840 C ALA A 58 0.480 8.582 0.313 1.00 0.00 C ATOM 841 O ALA A 58 0.668 8.108 1.425 1.00 0.00 O ATOM 842 CB ALA A 58 0.060 10.959 1.154 1.00 0.00 C ATOM 0 H ALA A 58 -0.524 10.311 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 58 1.852 10.190 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.312 10.627 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.372 11.995 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.017 10.883 1.005 1.00 0.00 H new ATOM 848 N ILE A 59 -0.017 7.828 -0.681 1.00 0.00 N ATOM 849 CA ILE A 59 0.017 6.362 -0.651 1.00 0.00 C ATOM 850 C ILE A 59 1.319 5.945 -1.347 1.00 0.00 C ATOM 851 O ILE A 59 1.491 6.003 -2.567 1.00 0.00 O ATOM 852 CB ILE A 59 -1.337 5.799 -1.073 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.512 4.291 -0.953 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.785 6.324 -2.438 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.635 3.521 -1.918 1.00 0.00 C ATOM 0 H ILE A 59 -0.449 8.216 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 59 0.098 5.893 0.330 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.014 6.192 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.281 3.983 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.556 4.035 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.754 5.894 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.869 7.410 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.052 6.042 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.802 2.452 -1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.883 3.805 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.412 3.751 -1.721 1.00 0.00 H new ATOM 867 N TYR A 60 2.297 5.645 -0.498 1.00 0.00 N ATOM 868 CA TYR A 60 3.597 5.132 -0.833 1.00 0.00 C ATOM 869 C TYR A 60 3.484 3.622 -0.911 1.00 0.00 C ATOM 870 O TYR A 60 3.191 2.976 0.094 1.00 0.00 O ATOM 871 CB TYR A 60 4.617 5.599 0.207 1.00 0.00 C ATOM 872 CG TYR A 60 4.714 7.100 0.413 1.00 0.00 C ATOM 873 CD1 TYR A 60 3.855 7.745 1.325 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.688 7.851 -0.271 1.00 0.00 C ATOM 875 CE1 TYR A 60 3.977 9.121 1.565 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.817 9.232 -0.037 1.00 0.00 C ATOM 877 CZ TYR A 60 4.962 9.872 0.886 1.00 0.00 C ATOM 878 OH TYR A 60 5.089 11.202 1.126 1.00 0.00 O ATOM 0 H TYR A 60 2.182 5.767 0.508 1.00 0.00 H new ATOM 0 HA TYR A 60 3.946 5.505 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.371 5.136 1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.600 5.227 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.097 7.175 1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.341 7.364 -0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.318 9.607 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.569 9.802 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 60 5.815 11.566 0.577 1.00 0.00 H new ATOM 888 N VAL A 61 3.684 3.053 -2.094 1.00 0.00 N ATOM 889 CA VAL A 61 3.722 1.609 -2.263 1.00 0.00 C ATOM 890 C VAL A 61 5.172 1.191 -2.281 1.00 0.00 C ATOM 891 O VAL A 61 5.960 1.780 -3.010 1.00 0.00 O ATOM 892 CB VAL A 61 2.972 1.123 -3.509 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.856 -0.407 -3.442 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.568 1.718 -3.506 1.00 0.00 C ATOM 0 H VAL A 61 3.823 3.578 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 61 3.198 1.140 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 61 3.505 1.427 -4.410 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.325 -0.770 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.853 -0.847 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.308 -0.691 -2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.027 1.378 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.038 1.396 -2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.634 2.806 -3.518 1.00 0.00 H new ATOM 904 N ASN A 62 5.545 0.220 -1.442 1.00 0.00 N ATOM 905 CA ASN A 62 6.934 -0.224 -1.232 1.00 0.00 C ATOM 906 C ASN A 62 7.807 0.843 -0.556 1.00 0.00 C ATOM 907 O ASN A 62 8.850 0.512 -0.002 1.00 0.00 O ATOM 908 CB ASN A 62 7.568 -0.780 -2.521 1.00 0.00 C ATOM 909 CG ASN A 62 7.119 -2.166 -2.880 1.00 0.00 C ATOM 910 OD1 ASN A 62 7.812 -2.824 -3.627 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.929 -2.597 -2.484 1.00 0.00 N ATOM 0 H ASN A 62 4.874 -0.296 -0.873 1.00 0.00 H new ATOM 0 HA ASN A 62 6.885 -1.054 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.333 -0.109 -3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.652 -0.779 -2.409 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.579 -3.499 -2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.363 -2.027 -1.855 1.00 0.00 H new ATOM 918 N GLY A 63 7.338 2.088 -0.503 1.00 0.00 N ATOM 919 CA GLY A 63 8.069 3.275 -0.091 1.00 0.00 C ATOM 920 C GLY A 63 7.956 4.397 -1.128 1.00 0.00 C ATOM 921 O GLY A 63 8.325 5.533 -0.825 1.00 0.00 O ATOM 0 H GLY A 63 6.376 2.304 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.685 3.625 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.119 3.022 0.059 1.00 0.00 H new ATOM 925 N GLU A 64 7.385 4.139 -2.308 1.00 0.00 N ATOM 926 CA GLU A 64 7.411 5.022 -3.454 1.00 0.00 C ATOM 927 C GLU A 64 6.003 5.557 -3.645 1.00 0.00 C ATOM 928 O GLU A 64 5.045 4.792 -3.719 1.00 0.00 O ATOM 929 CB GLU A 64 7.885 4.256 -4.693 1.00 0.00 C ATOM 930 CG GLU A 64 8.300 5.202 -5.826 1.00 0.00 C ATOM 931 CD GLU A 64 9.734 5.686 -5.615 1.00 0.00 C ATOM 932 OE1 GLU A 64 9.999 6.409 -4.630 1.00 0.00 O ATOM 933 OE2 GLU A 64 10.633 5.288 -6.392 1.00 0.00 O ATOM 0 H GLU A 64 6.875 3.274 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 64 8.104 5.848 -3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.728 3.619 -4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.087 3.600 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.219 4.689 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.623 6.055 -5.863 1.00 0.00 H new ATOM 940 N ARG A 65 5.847 6.874 -3.667 1.00 0.00 N ATOM 941 CA ARG A 65 4.563 7.533 -3.841 1.00 0.00 C ATOM 942 C ARG A 65 3.992 7.113 -5.186 1.00 0.00 C ATOM 943 O ARG A 65 4.542 7.503 -6.213 1.00 0.00 O ATOM 944 CB ARG A 65 4.801 9.052 -3.720 1.00 0.00 C ATOM 945 CG ARG A 65 3.655 9.935 -4.223 1.00 0.00 C ATOM 946 CD ARG A 65 3.762 10.320 -5.706 1.00 0.00 C ATOM 947 NE ARG A 65 3.077 11.581 -6.026 1.00 0.00 N ATOM 948 CZ ARG A 65 2.644 11.915 -7.248 1.00 0.00 C ATOM 949 NH1 ARG A 65 2.987 11.194 -8.312 1.00 0.00 N ATOM 950 NH2 ARG A 65 1.830 12.950 -7.393 1.00 0.00 N ATOM 0 H ARG A 65 6.625 7.525 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 65 3.832 7.251 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.990 9.291 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.705 9.307 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.712 9.414 -4.062 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.623 10.845 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.814 10.406 -5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.340 9.520 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 65 2.922 12.245 -5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.587 10.376 -8.202 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.650 11.459 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.537 13.487 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.496 13.210 -8.321 1.00 0.00 H new ATOM 964 N LEU A 66 2.911 6.335 -5.212 1.00 0.00 N ATOM 965 CA LEU A 66 2.389 5.742 -6.430 1.00 0.00 C ATOM 966 C LEU A 66 0.860 5.673 -6.311 1.00 0.00 C ATOM 967 O LEU A 66 0.308 4.701 -5.806 1.00 0.00 O ATOM 968 CB LEU A 66 3.033 4.380 -6.616 1.00 0.00 C ATOM 969 CG LEU A 66 4.518 4.370 -7.007 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.954 2.916 -7.026 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.809 4.981 -8.375 1.00 0.00 C ATOM 0 H LEU A 66 2.372 6.100 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 66 2.625 6.336 -7.313 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.921 3.821 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.475 3.841 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 66 5.059 4.979 -6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.007 2.856 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.811 2.480 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.358 2.367 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.880 4.934 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.273 4.425 -9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.483 6.021 -8.386 1.00 0.00 H new ATOM 983 N GLN A 67 0.173 6.735 -6.738 1.00 0.00 N ATOM 984 CA GLN A 67 -1.265 6.966 -6.557 1.00 0.00 C ATOM 985 C GLN A 67 -2.107 6.492 -7.754 1.00 0.00 C ATOM 986 O GLN A 67 -3.114 7.115 -8.105 1.00 0.00 O ATOM 987 CB GLN A 67 -1.517 8.451 -6.161 1.00 0.00 C ATOM 988 CG GLN A 67 -0.781 9.656 -6.734 1.00 0.00 C ATOM 989 CD GLN A 67 -0.485 9.542 -8.230 1.00 0.00 C ATOM 990 OE1 GLN A 67 0.726 9.172 -8.622 1.00 0.00 O flip ATOM 991 NE2 GLN A 67 -1.339 9.800 -9.070 1.00 0.00 N flip ATOM 0 H GLN A 67 0.626 7.496 -7.245 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.610 6.344 -5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.575 8.633 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.371 8.499 -5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.377 10.552 -6.558 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.158 9.787 -6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.273 10.085 -8.776 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.116 9.729 -10.063 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.708 5.394 -8.405 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.277 5.016 -9.695 1.00 0.00 C ATOM 1002 C ASP A 68 -2.497 3.509 -9.814 1.00 0.00 C ATOM 1003 O ASP A 68 -1.687 2.713 -9.342 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.368 5.539 -10.815 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.178 5.875 -12.058 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.025 5.055 -12.476 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.023 7.009 -12.563 1.00 0.00 O ATOM 0 H ASP A 68 -0.994 4.755 -8.057 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.263 5.471 -9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.835 6.426 -10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.615 4.789 -11.058 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.579 3.124 -10.490 1.00 0.00 N ATOM 1013 CA VAL A 69 -3.885 1.766 -10.943 1.00 0.00 C ATOM 1014 C VAL A 69 -2.884 1.344 -12.011 1.00 0.00 C ATOM 1015 O VAL A 69 -2.413 0.210 -12.013 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.356 1.765 -11.415 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.655 2.631 -12.651 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -5.907 0.356 -11.637 1.00 0.00 C ATOM 0 H VAL A 69 -4.307 3.789 -10.751 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.787 1.026 -10.149 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.874 2.231 -10.577 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.714 2.559 -12.898 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.401 3.669 -12.438 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.061 2.278 -13.494 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.944 0.419 -11.968 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.314 -0.151 -12.398 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.857 -0.205 -10.704 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.479 2.289 -12.859 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.426 2.065 -13.829 1.00 0.00 C ATOM 1030 C GLY A 70 -0.058 1.897 -13.180 1.00 0.00 C ATOM 1031 O GLY A 70 0.865 1.413 -13.837 1.00 0.00 O ATOM 0 H GLY A 70 -2.876 3.228 -12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.659 1.175 -14.413 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.394 2.903 -14.525 1.00 0.00 H new ATOM 1035 N ALA A 71 0.076 2.291 -11.912 1.00 0.00 N ATOM 1036 CA ALA A 71 1.278 2.107 -11.124 1.00 0.00 C ATOM 1037 C ALA A 71 1.222 0.778 -10.377 1.00 0.00 C ATOM 1038 O ALA A 71 2.187 0.017 -10.513 1.00 0.00 O ATOM 1039 CB ALA A 71 1.551 3.296 -10.201 1.00 0.00 C ATOM 0 H ALA A 71 -0.672 2.758 -11.400 1.00 0.00 H new ATOM 0 HA ALA A 71 2.129 2.066 -11.804 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.462 3.112 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.673 4.200 -10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.713 3.424 -9.515 1.00 0.00 H new ATOM 1045 N ILE A 72 0.170 0.454 -9.599 1.00 0.00 N ATOM 1046 CA ILE A 72 0.097 -0.815 -8.893 1.00 0.00 C ATOM 1047 C ILE A 72 -1.286 -1.440 -8.952 1.00 0.00 C ATOM 1048 O ILE A 72 -2.306 -0.781 -8.730 1.00 0.00 O ATOM 1049 CB ILE A 72 0.505 -0.688 -7.420 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.640 0.317 -7.210 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.960 -2.058 -6.877 1.00 0.00 C ATOM 1052 CD1 ILE A 72 1.129 1.681 -6.760 1.00 0.00 C ATOM 0 H ILE A 72 -0.635 1.063 -9.452 1.00 0.00 H new ATOM 0 HA ILE A 72 0.804 -1.462 -9.412 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.373 -0.330 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.334 -0.072 -6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.199 0.429 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.248 -1.957 -5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.141 -2.773 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.813 -2.413 -7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.972 2.359 -6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.456 2.085 -7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.593 1.576 -5.817 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.264 -2.756 -9.145 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.359 -3.644 -8.910 1.00 0.00 C ATOM 1066 C LEU A 73 -1.920 -4.377 -7.634 1.00 0.00 C ATOM 1067 O LEU A 73 -2.326 -3.973 -6.549 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.691 -4.460 -10.162 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.097 -3.556 -11.356 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.343 -4.382 -12.612 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.361 -2.741 -11.118 1.00 0.00 C ATOM 0 H LEU A 73 -0.433 -3.239 -9.487 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.334 -3.190 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.827 -5.063 -10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.503 -5.152 -9.939 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.254 -2.875 -11.473 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.626 -3.722 -13.432 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.433 -4.921 -12.877 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.146 -5.095 -12.427 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.576 -2.137 -11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.197 -3.414 -10.927 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.216 -2.088 -10.257 1.00 0.00 H new ATOM 1083 N THR A 74 -0.974 -5.322 -7.708 1.00 0.00 N ATOM 1084 CA THR A 74 -0.638 -6.242 -6.611 1.00 0.00 C ATOM 1085 C THR A 74 0.862 -6.346 -6.305 1.00 0.00 C ATOM 1086 O THR A 74 1.557 -5.330 -6.268 1.00 0.00 O ATOM 1087 CB THR A 74 -1.273 -7.590 -6.947 1.00 0.00 C ATOM 1088 OG1 THR A 74 -0.931 -7.916 -8.279 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.771 -7.491 -6.681 1.00 0.00 C ATOM 0 H THR A 74 -0.411 -5.472 -8.545 1.00 0.00 H new ATOM 0 HA THR A 74 -1.043 -5.847 -5.679 1.00 0.00 H new ATOM 0 HB THR A 74 -0.904 -8.405 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.219 -8.832 -8.476 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.246 -8.444 -6.915 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.939 -7.249 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.201 -6.709 -7.307 1.00 0.00 H new ATOM 1097 N ALA A 75 1.354 -7.547 -5.973 1.00 0.00 N ATOM 1098 CA ALA A 75 2.723 -7.798 -5.583 1.00 0.00 C ATOM 1099 C ALA A 75 3.591 -8.102 -6.766 1.00 0.00 C ATOM 1100 O ALA A 75 4.675 -7.547 -6.847 1.00 0.00 O ATOM 1101 CB ALA A 75 2.823 -9.017 -4.680 1.00 0.00 C ATOM 0 H ALA A 75 0.780 -8.390 -5.973 1.00 0.00 H new ATOM 0 HA ALA A 75 3.053 -6.891 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.865 -9.180 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.230 -8.853 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.446 -9.893 -5.208 1.00 0.00 H new ATOM 1107 N GLU A 76 3.155 -9.007 -7.641 1.00 0.00 N ATOM 1108 CA GLU A 76 3.944 -9.352 -8.833 1.00 0.00 C ATOM 1109 C GLU A 76 3.855 -8.211 -9.859 1.00 0.00 C ATOM 1110 O GLU A 76 4.617 -8.137 -10.818 1.00 0.00 O ATOM 1111 CB GLU A 76 3.524 -10.757 -9.299 1.00 0.00 C ATOM 1112 CG GLU A 76 3.908 -11.174 -10.724 1.00 0.00 C ATOM 1113 CD GLU A 76 2.801 -10.875 -11.735 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.073 -9.868 -11.594 1.00 0.00 O ATOM 1115 OE2 GLU A 76 2.589 -11.715 -12.648 1.00 0.00 O ATOM 0 H GLU A 76 2.273 -9.511 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 76 5.013 -9.431 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.954 -11.483 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.441 -10.832 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.818 -10.652 -11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.133 -12.240 -10.740 1.00 0.00 H new ATOM 1122 N HIS A 77 2.983 -7.245 -9.574 1.00 0.00 N ATOM 1123 CA HIS A 77 2.890 -5.979 -10.255 1.00 0.00 C ATOM 1124 C HIS A 77 3.849 -4.931 -9.654 1.00 0.00 C ATOM 1125 O HIS A 77 3.967 -3.831 -10.203 1.00 0.00 O ATOM 1126 CB HIS A 77 1.429 -5.552 -10.106 1.00 0.00 C ATOM 1127 CG HIS A 77 1.033 -4.446 -11.042 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.430 -3.141 -10.936 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.123 -4.516 -12.057 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.711 -2.415 -11.798 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.054 -3.218 -12.551 1.00 0.00 N ATOM 0 H HIS A 77 2.296 -7.340 -8.826 1.00 0.00 H new ATOM 0 HA HIS A 77 3.183 -6.066 -11.301 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.786 -6.415 -10.282 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.255 -5.229 -9.080 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.150 -2.784 -10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.370 -5.408 -12.413 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.742 -1.338 -11.876 1.00 0.00 H new ATOM 1139 N ARG A 78 4.495 -5.197 -8.511 1.00 0.00 N ATOM 1140 CA ARG A 78 5.251 -4.190 -7.773 1.00 0.00 C ATOM 1141 C ARG A 78 6.656 -4.748 -7.546 1.00 0.00 C ATOM 1142 O ARG A 78 7.612 -4.259 -8.145 1.00 0.00 O ATOM 1143 CB ARG A 78 4.458 -3.806 -6.505 1.00 0.00 C ATOM 1144 CG ARG A 78 4.709 -2.434 -5.845 1.00 0.00 C ATOM 1145 CD ARG A 78 6.143 -1.917 -5.899 1.00 0.00 C ATOM 1146 NE ARG A 78 6.512 -1.294 -7.170 1.00 0.00 N ATOM 1147 CZ ARG A 78 7.769 -1.129 -7.597 1.00 0.00 C ATOM 1148 NH1 ARG A 78 8.798 -1.518 -6.843 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.974 -0.582 -8.785 1.00 0.00 N ATOM 0 H ARG A 78 4.505 -6.119 -8.076 1.00 0.00 H new ATOM 0 HA ARG A 78 5.382 -3.252 -8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.398 -3.862 -6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.651 -4.571 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.061 -1.699 -6.323 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.405 -2.495 -4.800 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.286 -1.192 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.823 -2.746 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 78 5.759 -0.962 -7.772 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.630 -1.945 -5.932 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.753 -1.388 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.181 -0.294 -9.358 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.925 -0.448 -9.127 1.00 0.00 H new ATOM 1163 N LEU A 79 6.796 -5.737 -6.664 1.00 0.00 N ATOM 1164 CA LEU A 79 7.992 -6.497 -6.412 1.00 0.00 C ATOM 1165 C LEU A 79 8.020 -7.744 -7.305 1.00 0.00 C ATOM 1166 O LEU A 79 7.195 -7.906 -8.200 1.00 0.00 O ATOM 1167 CB LEU A 79 8.070 -6.785 -4.900 1.00 0.00 C ATOM 1168 CG LEU A 79 6.814 -6.830 -4.003 1.00 0.00 C ATOM 1169 CD1 LEU A 79 7.238 -7.490 -2.678 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.328 -5.431 -3.610 1.00 0.00 C ATOM 0 H LEU A 79 6.019 -6.038 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 79 8.891 -5.940 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.567 -7.749 -4.790 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.733 -6.033 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 79 6.029 -7.353 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.380 -7.545 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.609 -8.496 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.025 -6.898 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.443 -5.517 -2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.115 -4.913 -3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.080 -4.866 -4.509 1.00 0.00 H new ATOM 1182 N GLU A 80 8.952 -8.661 -7.042 1.00 0.00 N ATOM 1183 CA GLU A 80 9.075 -9.972 -7.688 1.00 0.00 C ATOM 1184 C GLU A 80 7.827 -10.864 -7.522 1.00 0.00 C ATOM 1185 O GLU A 80 7.818 -11.989 -8.020 1.00 0.00 O ATOM 1186 CB GLU A 80 10.313 -10.688 -7.105 1.00 0.00 C ATOM 1187 CG GLU A 80 10.033 -11.220 -5.687 1.00 0.00 C ATOM 1188 CD GLU A 80 11.284 -11.696 -4.946 1.00 0.00 C ATOM 1189 OE1 GLU A 80 12.044 -10.835 -4.452 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.407 -12.921 -4.700 1.00 0.00 O ATOM 0 H GLU A 80 9.676 -8.504 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 80 9.180 -9.801 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.599 -11.514 -7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.156 -9.998 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.553 -10.435 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.325 -12.046 -5.753 1.00 0.00 H new ATOM 1197 N GLY A 81 6.808 -10.428 -6.775 1.00 0.00 N ATOM 1198 CA GLY A 81 5.644 -11.211 -6.438 1.00 0.00 C ATOM 1199 C GLY A 81 5.840 -11.873 -5.096 1.00 0.00 C ATOM 1200 O GLY A 81 6.162 -13.055 -5.042 1.00 0.00 O ATOM 0 H GLY A 81 6.782 -9.487 -6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.761 -10.573 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.469 -11.967 -7.204 1.00 0.00 H new ATOM 1204 N ARG A 82 5.662 -11.109 -4.012 1.00 0.00 N ATOM 1205 CA ARG A 82 5.554 -11.700 -2.674 1.00 0.00 C ATOM 1206 C ARG A 82 4.392 -11.105 -1.895 1.00 0.00 C ATOM 1207 O ARG A 82 3.493 -11.821 -1.468 1.00 0.00 O ATOM 1208 CB ARG A 82 6.867 -11.584 -1.885 1.00 0.00 C ATOM 1209 CG ARG A 82 8.055 -12.283 -2.557 1.00 0.00 C ATOM 1210 CD ARG A 82 9.155 -12.562 -1.532 1.00 0.00 C ATOM 1211 NE ARG A 82 10.298 -13.218 -2.162 1.00 0.00 N ATOM 1212 CZ ARG A 82 11.042 -14.220 -1.699 1.00 0.00 C ATOM 1213 NH1 ARG A 82 10.785 -14.824 -0.540 1.00 0.00 N ATOM 1214 NH2 ARG A 82 12.058 -14.611 -2.447 1.00 0.00 N ATOM 0 H ARG A 82 5.590 -10.092 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 82 5.354 -12.762 -2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.107 -10.529 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.722 -12.008 -0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.726 -13.218 -3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.447 -11.659 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.475 -11.627 -1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.763 -13.192 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 82 10.561 -12.860 -3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.993 -14.522 0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.380 -15.589 -0.220 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.244 -14.149 -3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.657 -15.375 -2.134 1.00 0.00 H new ATOM 1228 N PHE A 83 4.430 -9.792 -1.699 1.00 0.00 N ATOM 1229 CA PHE A 83 3.494 -8.983 -0.929 1.00 0.00 C ATOM 1230 C PHE A 83 3.463 -7.609 -1.599 1.00 0.00 C ATOM 1231 O PHE A 83 4.147 -7.404 -2.593 1.00 0.00 O ATOM 1232 CB PHE A 83 4.047 -8.804 0.495 1.00 0.00 C ATOM 1233 CG PHE A 83 4.029 -10.032 1.373 1.00 0.00 C ATOM 1234 CD1 PHE A 83 2.890 -10.300 2.149 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.160 -10.862 1.477 1.00 0.00 C ATOM 1236 CE1 PHE A 83 2.895 -11.355 3.071 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.138 -11.962 2.351 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.015 -12.193 3.160 1.00 0.00 C ATOM 0 H PHE A 83 5.172 -9.223 -2.105 1.00 0.00 H new ATOM 0 HA PHE A 83 2.508 -9.445 -0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.075 -8.449 0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.474 -8.020 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.006 -9.690 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.041 -10.655 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.040 -11.522 3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.985 -12.630 2.400 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.014 -13.020 3.854 1.00 0.00 H new ATOM 1248 N THR A 84 2.719 -6.652 -1.067 1.00 0.00 N ATOM 1249 CA THR A 84 2.876 -5.244 -1.393 1.00 0.00 C ATOM 1250 C THR A 84 2.630 -4.513 -0.061 1.00 0.00 C ATOM 1251 O THR A 84 1.966 -5.043 0.835 1.00 0.00 O ATOM 1252 CB THR A 84 1.990 -4.872 -2.610 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.818 -4.492 -3.690 1.00 0.00 O ATOM 1254 CG2 THR A 84 0.996 -3.722 -2.414 1.00 0.00 C ATOM 0 H THR A 84 1.980 -6.834 -0.388 1.00 0.00 H new ATOM 0 HA THR A 84 3.862 -4.946 -1.751 1.00 0.00 H new ATOM 0 HB THR A 84 1.402 -5.773 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.396 -4.755 -4.534 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.439 -3.562 -3.337 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.303 -3.973 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.538 -2.813 -2.155 1.00 0.00 H new ATOM 1262 N VAL A 85 3.197 -3.321 0.108 1.00 0.00 N ATOM 1263 CA VAL A 85 3.137 -2.536 1.341 1.00 0.00 C ATOM 1264 C VAL A 85 2.568 -1.191 0.948 1.00 0.00 C ATOM 1265 O VAL A 85 3.008 -0.634 -0.057 1.00 0.00 O ATOM 1266 CB VAL A 85 4.541 -2.407 1.965 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.599 -1.439 3.160 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.023 -3.781 2.431 1.00 0.00 C ATOM 0 H VAL A 85 3.727 -2.860 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 85 2.513 -3.010 2.099 1.00 0.00 H new ATOM 0 HB VAL A 85 5.184 -2.000 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.617 -1.399 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.295 -0.443 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.926 -1.788 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.016 -3.688 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.331 -4.176 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.066 -4.460 1.579 1.00 0.00 H new ATOM 1278 N ILE A 86 1.613 -0.692 1.726 1.00 0.00 N ATOM 1279 CA ILE A 86 0.777 0.454 1.431 1.00 0.00 C ATOM 1280 C ILE A 86 0.913 1.426 2.583 1.00 0.00 C ATOM 1281 O ILE A 86 0.214 1.300 3.587 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.684 -0.016 1.256 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.872 -0.900 0.006 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.649 1.182 1.179 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.708 -0.103 -1.290 1.00 0.00 C ATOM 0 H ILE A 86 1.393 -1.105 2.632 1.00 0.00 H new ATOM 0 HA ILE A 86 1.080 0.946 0.507 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.917 -0.616 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.147 -1.714 0.025 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.862 -1.355 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.670 0.820 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.579 1.765 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.382 1.810 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.849 -0.765 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.450 0.695 -1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.292 0.330 -1.327 1.00 0.00 H new ATOM 1297 N ARG A 87 1.803 2.401 2.447 1.00 0.00 N ATOM 1298 CA ARG A 87 1.955 3.470 3.417 1.00 0.00 C ATOM 1299 C ARG A 87 0.993 4.554 2.960 1.00 0.00 C ATOM 1300 O ARG A 87 1.397 5.395 2.166 1.00 0.00 O ATOM 1301 CB ARG A 87 3.409 3.997 3.388 1.00 0.00 C ATOM 1302 CG ARG A 87 4.295 3.774 4.602 1.00 0.00 C ATOM 1303 CD ARG A 87 5.511 4.686 4.372 1.00 0.00 C ATOM 1304 NE ARG A 87 6.632 4.422 5.274 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.714 5.201 5.369 1.00 0.00 C ATOM 1306 NH1 ARG A 87 7.792 6.333 4.674 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.708 4.829 6.157 1.00 0.00 N ATOM 0 H ARG A 87 2.442 2.470 1.655 1.00 0.00 H new ATOM 0 HA ARG A 87 1.746 3.143 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.906 3.545 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.367 5.070 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.775 4.033 5.524 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.594 2.729 4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.851 4.569 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.201 5.724 4.489 1.00 0.00 H new ATOM 0 HE ARG A 87 6.585 3.593 5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.023 6.611 4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.621 6.923 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.643 3.957 6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.540 5.414 6.239 1.00 0.00 H new ATOM 1321 N ARG A 88 -0.273 4.569 3.374 1.00 0.00 N ATOM 1322 CA ARG A 88 -1.039 5.804 3.198 1.00 0.00 C ATOM 1323 C ARG A 88 -0.618 6.709 4.345 1.00 0.00 C ATOM 1324 O ARG A 88 -0.810 6.332 5.495 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.552 5.549 3.127 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.363 6.862 3.172 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.137 7.799 1.965 1.00 0.00 C ATOM 1328 NE ARG A 88 -2.891 9.218 2.325 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.728 10.254 2.132 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.987 10.095 1.773 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -3.311 11.498 2.321 1.00 0.00 N ATOM 0 H ARG A 88 -0.768 3.791 3.809 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.826 6.282 2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.786 5.010 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.851 4.910 3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.423 6.617 3.231 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.109 7.400 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.288 7.431 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.009 7.749 1.314 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.995 9.430 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.362 9.157 1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.586 10.910 1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.350 11.675 2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.951 12.278 2.173 1.00 0.00 H new ATOM 1345 N GLY A 89 -0.061 7.888 4.075 1.00 0.00 N ATOM 1346 CA GLY A 89 0.411 8.837 5.083 1.00 0.00 C ATOM 1347 C GLY A 89 -0.683 9.336 6.031 1.00 0.00 C ATOM 1348 O GLY A 89 -0.393 9.786 7.136 1.00 0.00 O ATOM 0 H GLY A 89 0.079 8.220 3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.199 8.365 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.859 9.693 4.579 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.951 9.260 5.618 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.130 9.565 6.431 1.00 0.00 C ATOM 1354 C LYS A 90 -3.517 8.389 7.343 1.00 0.00 C ATOM 1355 O LYS A 90 -4.454 8.489 8.131 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.236 10.022 5.459 1.00 0.00 C ATOM 1357 CG LYS A 90 -5.577 10.368 6.106 1.00 0.00 C ATOM 1358 CD LYS A 90 -6.593 9.213 6.019 1.00 0.00 C ATOM 1359 CE LYS A 90 -7.421 9.080 7.301 1.00 0.00 C ATOM 1360 NZ LYS A 90 -8.046 10.349 7.725 1.00 0.00 N ATOM 0 H LYS A 90 -2.193 8.973 4.670 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.935 10.372 7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.879 10.896 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.399 9.233 4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.415 10.626 7.152 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.993 11.251 5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.259 9.379 5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.065 8.279 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.200 8.333 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.781 8.712 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.772 10.155 8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.320 10.977 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.487 10.810 6.904 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.821 7.261 7.236 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.987 6.092 8.076 1.00 0.00 C ATOM 1376 C LYS A 91 -1.584 5.505 8.261 1.00 0.00 C ATOM 1377 O LYS A 91 -0.662 6.272 8.565 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.065 5.182 7.449 1.00 0.00 C ATOM 1379 CG LYS A 91 -4.747 4.288 8.490 1.00 0.00 C ATOM 1380 CD LYS A 91 -5.775 5.005 9.376 1.00 0.00 C ATOM 1381 CE LYS A 91 -6.070 4.233 10.672 1.00 0.00 C ATOM 1382 NZ LYS A 91 -6.241 2.773 10.494 1.00 0.00 N ATOM 0 H LYS A 91 -2.096 7.137 6.529 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.371 6.284 9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.816 5.799 6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.609 4.558 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.243 3.466 7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.981 3.848 9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.405 6.000 9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.701 5.140 8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.257 4.407 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.975 4.639 11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.090 2.458 11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.346 2.557 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.407 2.278 10.869 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.362 4.202 8.076 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.080 3.552 8.278 1.00 0.00 C ATOM 1398 C LYS A 92 0.292 2.734 7.032 1.00 0.00 C ATOM 1399 O LYS A 92 -0.194 3.021 5.926 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.164 2.764 9.599 1.00 0.00 C ATOM 1401 CG LYS A 92 1.162 2.742 10.374 1.00 0.00 C ATOM 1402 CD LYS A 92 1.327 3.899 11.369 1.00 0.00 C ATOM 1403 CE LYS A 92 1.699 5.246 10.728 1.00 0.00 C ATOM 1404 NZ LYS A 92 2.375 6.148 11.688 1.00 0.00 N ATOM 0 H LYS A 92 -2.093 3.559 7.773 1.00 0.00 H new ATOM 0 HA LYS A 92 0.743 4.258 8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.938 3.203 10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.470 1.740 9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.239 1.799 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.987 2.769 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.396 4.020 11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.096 3.631 12.093 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.351 5.073 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.798 5.729 10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.609 7.045 11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.743 6.335 12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.248 5.699 12.030 1.00 0.00 H new ATOM 1418 N TYR A 93 1.200 1.780 7.244 1.00 0.00 N ATOM 1419 CA TYR A 93 1.759 0.806 6.308 1.00 0.00 C ATOM 1420 C TYR A 93 0.984 -0.509 6.380 1.00 0.00 C ATOM 1421 O TYR A 93 1.400 -1.446 7.056 1.00 0.00 O ATOM 1422 CB TYR A 93 3.262 0.544 6.535 1.00 0.00 C ATOM 1423 CG TYR A 93 3.898 1.086 7.801 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.629 0.482 9.041 1.00 0.00 C ATOM 1425 CD2 TYR A 93 4.841 2.124 7.731 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.245 0.954 10.212 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.465 2.603 8.890 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.156 2.034 10.145 1.00 0.00 C ATOM 1429 OH TYR A 93 5.718 2.556 11.271 1.00 0.00 O ATOM 0 H TYR A 93 1.603 1.659 8.173 1.00 0.00 H new ATOM 0 HA TYR A 93 1.658 1.240 5.313 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.419 -0.535 6.518 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.805 0.958 5.685 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.944 -0.351 9.094 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.088 2.558 6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.023 0.493 11.163 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.182 3.408 8.824 1.00 0.00 H new ATOM 0 HH TYR A 93 6.318 3.291 11.026 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.128 -0.621 5.672 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.825 -1.887 5.621 1.00 0.00 C ATOM 1441 C TYR A 94 -0.083 -2.776 4.644 1.00 0.00 C ATOM 1442 O TYR A 94 0.748 -2.329 3.845 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.225 -1.635 5.111 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.155 -0.963 6.095 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.090 0.429 6.272 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -4.159 -1.711 6.736 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.082 1.082 7.012 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -5.163 -1.060 7.472 1.00 0.00 C ATOM 1449 CZ TYR A 94 -5.145 0.347 7.589 1.00 0.00 C ATOM 1450 OH TYR A 94 -6.194 0.996 8.167 1.00 0.00 O ATOM 0 H TYR A 94 -0.557 0.134 5.137 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.872 -2.359 6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.163 -1.018 4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.663 -2.587 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.277 0.993 5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.158 -2.788 6.662 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.036 2.153 7.144 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.946 -1.633 7.946 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.034 0.663 7.788 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.397 -4.055 4.733 1.00 0.00 N ATOM 1461 CA LEU A 95 0.382 -5.115 4.144 1.00 0.00 C ATOM 1462 C LEU A 95 -0.609 -5.967 3.375 1.00 0.00 C ATOM 1463 O LEU A 95 -1.668 -6.315 3.887 1.00 0.00 O ATOM 1464 CB LEU A 95 1.094 -5.863 5.268 1.00 0.00 C ATOM 1465 CG LEU A 95 2.356 -6.645 4.894 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.769 -7.533 6.071 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.201 -7.522 3.659 1.00 0.00 C ATOM 0 H LEU A 95 -1.223 -4.388 5.231 1.00 0.00 H new ATOM 0 HA LEU A 95 1.161 -4.776 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.360 -5.141 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.384 -6.559 5.714 1.00 0.00 H new ATOM 0 HG LEU A 95 3.115 -5.899 4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.667 -8.091 5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.971 -6.911 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.963 -8.230 6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.139 -8.042 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.410 -8.252 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.943 -6.900 2.801 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.296 -6.249 2.126 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.251 -6.749 1.151 1.00 0.00 C ATOM 1481 C ILE A 96 -0.694 -8.026 0.528 1.00 0.00 C ATOM 1482 O ILE A 96 0.393 -8.008 -0.065 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.478 -5.644 0.099 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -1.965 -4.285 0.666 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.393 -6.082 -1.049 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.309 -4.327 1.396 1.00 0.00 C ATOM 0 H ILE A 96 0.646 -6.136 1.751 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.209 -6.994 1.610 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.474 -5.478 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.209 -3.904 1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.038 -3.572 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.512 -5.259 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.951 -6.937 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.368 -6.362 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.560 -3.328 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.084 -4.673 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.242 -5.010 2.243 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.451 -9.119 0.627 1.00 0.00 N ATOM 1499 CA ARG A 97 -1.166 -10.382 -0.048 1.00 0.00 C ATOM 1500 C ARG A 97 -2.368 -11.043 -0.742 1.00 0.00 C ATOM 1501 O ARG A 97 -3.512 -10.569 -0.802 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.439 -11.371 0.895 1.00 0.00 C ATOM 1503 CG ARG A 97 0.730 -12.071 0.187 1.00 0.00 C ATOM 1504 CD ARG A 97 1.169 -13.343 0.904 1.00 0.00 C ATOM 1505 NE ARG A 97 2.393 -13.854 0.284 1.00 0.00 N ATOM 1506 CZ ARG A 97 3.117 -14.886 0.713 1.00 0.00 C ATOM 1507 NH1 ARG A 97 2.774 -15.582 1.792 1.00 0.00 N ATOM 1508 NH2 ARG A 97 4.204 -15.241 0.057 1.00 0.00 N ATOM 0 H ARG A 97 -2.299 -9.150 1.193 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.497 -10.113 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.068 -10.835 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -1.146 -12.118 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.438 -12.316 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.574 -11.385 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.342 -13.137 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.381 -14.094 0.851 1.00 0.00 H new ATOM 0 HE ARG A 97 2.722 -13.375 -0.554 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.936 -15.330 2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.349 -16.368 2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.488 -14.726 -0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.761 -16.031 0.383 1.00 0.00 H new ATOM 1522 N TYR A 98 -2.035 -12.187 -1.302 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.758 -13.077 -2.152 1.00 0.00 C ATOM 1524 C TYR A 98 -2.438 -14.476 -1.655 1.00 0.00 C ATOM 1525 O TYR A 98 -1.307 -14.743 -1.237 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.305 -12.883 -3.607 1.00 0.00 C ATOM 1527 CG TYR A 98 -1.473 -11.635 -3.849 1.00 0.00 C ATOM 1528 CD1 TYR A 98 -0.129 -11.615 -3.437 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -2.139 -10.431 -4.124 1.00 0.00 C ATOM 1530 CE1 TYR A 98 0.471 -10.392 -3.109 1.00 0.00 C ATOM 1531 CE2 TYR A 98 -1.542 -9.202 -3.810 1.00 0.00 C ATOM 1532 CZ TYR A 98 -0.251 -9.180 -3.255 1.00 0.00 C ATOM 1533 OH TYR A 98 0.242 -8.001 -2.792 1.00 0.00 O ATOM 0 H TYR A 98 -1.100 -12.559 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.832 -12.895 -2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.726 -13.755 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.187 -12.846 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.436 -12.534 -3.374 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.118 -10.451 -4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.487 -10.372 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -2.071 -8.278 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 98 0.376 -8.061 -1.823 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.429 -15.354 -1.697 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.382 -16.705 -1.193 1.00 0.00 C ATOM 1545 C ALA A 99 -2.742 -17.626 -2.224 1.00 0.00 C ATOM 1546 O ALA A 99 -3.338 -18.607 -2.674 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.788 -17.134 -0.765 1.00 0.00 C ATOM 0 H ALA A 99 -4.334 -15.123 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.751 -16.766 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.757 -18.155 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.150 -16.466 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.459 -17.088 -1.622 1.00 0.00 H new