USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 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+ 160:sc= 0.923 (180deg=0) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0.78 USER MOD Set 2.1: A 44 SER OG : rot 92:sc= 1.52 USER MOD Set 2.2: A 49 GLN : amide:sc= -0.339 K(o=2.7,f=-5.8!) USER MOD Set 2.3: A 90 LYS NZ :NH3+ -119:sc= 1.55 (180deg=-0.473) USER MOD Set 3.1: A 17 GLN : amide:sc= 0.527 K(o=2.2,f=-7.3!) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -154:sc= 1.62 (180deg=0.301) USER MOD Single : A 11 THR OG1 : rot 7:sc= 0.739 USER MOD Single : A 24 SER OG : rot -170:sc= 0 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.358 F(o=-1.1,f=-0.36) USER MOD Single : A 40 SER OG : rot 101:sc= 1.26 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= -0.071 (180deg=-0.155) USER MOD Single : A 55 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= -0.127 K(o=-0.13,f=-6.2!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.62! C(o=-3.6!,f=-5.8!) USER MOD Single : A 67 GLN :FLIP amide:sc= 0.129 F(o=-1.5!,f=0.13) USER MOD Single : A 74 THR OG1 : rot 51:sc= -0.153 USER MOD Single : A 77 HIS : no HE2:sc= -3.93 K(o=-3.9,f=-6.1!) USER MOD Single : A 84 THR OG1 : rot 21:sc= 1.08 USER MOD Single : A 92 LYS NZ :NH3+ -127:sc= 0.262 (180deg=-0.117) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 130:sc= -0.159 USER MOD ----------------------------------------------------------------- ATOM 144 N THR A 11 11.860 -7.429 1.152 1.00 0.00 N ATOM 145 CA THR A 11 11.899 -8.880 1.176 1.00 0.00 C ATOM 146 C THR A 11 10.670 -9.327 1.970 1.00 0.00 C ATOM 147 O THR A 11 10.042 -8.524 2.653 1.00 0.00 O ATOM 148 CB THR A 11 13.207 -9.366 1.842 1.00 0.00 C ATOM 149 OG1 THR A 11 14.143 -8.312 2.025 1.00 0.00 O ATOM 150 CG2 THR A 11 13.920 -10.427 1.016 1.00 0.00 C ATOM 0 HA THR A 11 11.882 -9.303 0.172 1.00 0.00 H new ATOM 0 HB THR A 11 12.888 -9.773 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.722 -7.457 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.832 -10.734 1.528 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.266 -11.290 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.173 -10.018 0.038 1.00 0.00 H new ATOM 158 N ALA A 12 10.336 -10.606 1.935 1.00 0.00 N ATOM 159 CA ALA A 12 9.111 -11.112 2.552 1.00 0.00 C ATOM 160 C ALA A 12 9.187 -11.084 4.065 1.00 0.00 C ATOM 161 O ALA A 12 8.291 -10.533 4.700 1.00 0.00 O ATOM 162 CB ALA A 12 8.797 -12.514 2.043 1.00 0.00 C ATOM 0 H ALA A 12 10.901 -11.324 1.481 1.00 0.00 H new ATOM 0 HA ALA A 12 8.296 -10.449 2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.882 -12.875 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.664 -12.487 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.621 -13.184 2.290 1.00 0.00 H new ATOM 168 N ALA A 13 10.272 -11.608 4.634 1.00 0.00 N ATOM 169 CA ALA A 13 10.459 -11.532 6.078 1.00 0.00 C ATOM 170 C ALA A 13 10.594 -10.069 6.493 1.00 0.00 C ATOM 171 O ALA A 13 10.158 -9.674 7.573 1.00 0.00 O ATOM 172 CB ALA A 13 11.698 -12.323 6.503 1.00 0.00 C ATOM 0 H ALA A 13 11.020 -12.081 4.127 1.00 0.00 H new ATOM 0 HA ALA A 13 9.593 -11.970 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.821 -12.254 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.578 -13.368 6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.579 -11.911 6.011 1.00 0.00 H new ATOM 178 N GLU A 14 11.180 -9.245 5.623 1.00 0.00 N ATOM 179 CA GLU A 14 11.492 -7.876 5.938 1.00 0.00 C ATOM 180 C GLU A 14 10.198 -7.072 5.957 1.00 0.00 C ATOM 181 O GLU A 14 10.016 -6.222 6.824 1.00 0.00 O ATOM 182 CB GLU A 14 12.471 -7.363 4.873 1.00 0.00 C ATOM 183 CG GLU A 14 13.532 -6.454 5.501 1.00 0.00 C ATOM 184 CD GLU A 14 14.776 -7.230 5.942 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.668 -8.331 6.525 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.891 -6.726 5.675 1.00 0.00 O ATOM 0 H GLU A 14 11.447 -9.523 4.679 1.00 0.00 H new ATOM 0 HA GLU A 14 11.958 -7.779 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.954 -8.207 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.925 -6.815 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.821 -5.687 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.103 -5.940 6.361 1.00 0.00 H new ATOM 193 N ILE A 15 9.288 -7.357 5.024 1.00 0.00 N ATOM 194 CA ILE A 15 7.968 -6.785 4.963 1.00 0.00 C ATOM 195 C ILE A 15 7.153 -7.262 6.149 1.00 0.00 C ATOM 196 O ILE A 15 6.580 -6.425 6.836 1.00 0.00 O ATOM 197 CB ILE A 15 7.316 -7.095 3.594 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.829 -6.042 2.596 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.784 -7.064 3.671 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.432 -6.285 1.134 1.00 0.00 C ATOM 0 H ILE A 15 9.470 -8.018 4.269 1.00 0.00 H new ATOM 0 HA ILE A 15 8.018 -5.698 5.034 1.00 0.00 H new ATOM 0 HB ILE A 15 7.587 -8.102 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.456 -5.064 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.916 -6.003 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.366 -7.287 2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.441 -7.809 4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.456 -6.075 3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.840 -5.490 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.828 -7.246 0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.345 -6.292 1.048 1.00 0.00 H new ATOM 212 N GLU A 16 7.087 -8.568 6.399 1.00 0.00 N ATOM 213 CA GLU A 16 6.306 -9.085 7.514 1.00 0.00 C ATOM 214 C GLU A 16 6.708 -8.391 8.807 1.00 0.00 C ATOM 215 O GLU A 16 5.868 -7.761 9.447 1.00 0.00 O ATOM 216 CB GLU A 16 6.533 -10.585 7.679 1.00 0.00 C ATOM 217 CG GLU A 16 5.627 -11.471 6.812 1.00 0.00 C ATOM 218 CD GLU A 16 4.297 -11.814 7.496 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.301 -12.382 8.614 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.227 -11.614 6.879 1.00 0.00 O ATOM 0 H GLU A 16 7.563 -9.282 5.847 1.00 0.00 H new ATOM 0 HA GLU A 16 5.254 -8.895 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.573 -10.810 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.381 -10.848 8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.425 -10.963 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.154 -12.394 6.570 1.00 0.00 H new ATOM 227 N GLN A 17 7.980 -8.482 9.201 1.00 0.00 N ATOM 228 CA GLN A 17 8.371 -7.931 10.483 1.00 0.00 C ATOM 229 C GLN A 17 8.467 -6.411 10.382 1.00 0.00 C ATOM 230 O GLN A 17 8.434 -5.732 11.410 1.00 0.00 O ATOM 231 CB GLN A 17 9.691 -8.523 10.980 1.00 0.00 C ATOM 232 CG GLN A 17 9.929 -10.043 10.852 1.00 0.00 C ATOM 233 CD GLN A 17 8.710 -10.955 11.023 1.00 0.00 C ATOM 234 OE1 GLN A 17 7.772 -10.660 11.760 1.00 0.00 O ATOM 235 NE2 GLN A 17 8.680 -12.094 10.353 1.00 0.00 N ATOM 0 H GLN A 17 8.730 -8.919 8.665 1.00 0.00 H new ATOM 0 HA GLN A 17 7.606 -8.197 11.213 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.498 -8.018 10.448 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.792 -8.263 12.034 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.362 -10.237 9.870 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.675 -10.333 11.592 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.455 -12.345 9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.882 -12.722 10.450 1.00 0.00 H new ATOM 244 N GLY A 18 8.589 -5.871 9.168 1.00 0.00 N ATOM 245 CA GLY A 18 8.671 -4.458 8.908 1.00 0.00 C ATOM 246 C GLY A 18 7.334 -3.808 9.187 1.00 0.00 C ATOM 247 O GLY A 18 7.293 -2.718 9.761 1.00 0.00 O ATOM 0 H GLY A 18 8.634 -6.436 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.442 -4.008 9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.960 -4.286 7.871 1.00 0.00 H new ATOM 251 N PHE A 19 6.240 -4.473 8.801 1.00 0.00 N ATOM 252 CA PHE A 19 4.950 -3.803 8.716 1.00 0.00 C ATOM 253 C PHE A 19 3.907 -4.415 9.640 1.00 0.00 C ATOM 254 O PHE A 19 2.788 -3.914 9.723 1.00 0.00 O ATOM 255 CB PHE A 19 4.594 -3.638 7.239 1.00 0.00 C ATOM 256 CG PHE A 19 5.671 -2.815 6.540 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.894 -1.477 6.919 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.584 -3.438 5.674 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.032 -0.785 6.462 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.733 -2.761 5.230 1.00 0.00 C ATOM 261 CZ PHE A 19 7.962 -1.437 5.634 1.00 0.00 C ATOM 0 H PHE A 19 6.226 -5.461 8.547 1.00 0.00 H new ATOM 0 HA PHE A 19 4.993 -2.791 9.120 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.505 -4.615 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.626 -3.147 7.141 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.187 -0.978 7.565 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.401 -4.450 5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.190 0.245 6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.437 -3.258 4.580 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.852 -0.919 5.309 1.00 0.00 H new ATOM 271 N LYS A 20 4.327 -5.369 10.475 1.00 0.00 N ATOM 272 CA LYS A 20 3.624 -5.872 11.658 1.00 0.00 C ATOM 273 C LYS A 20 3.309 -4.810 12.727 1.00 0.00 C ATOM 274 O LYS A 20 2.947 -5.168 13.846 1.00 0.00 O ATOM 275 CB LYS A 20 4.422 -7.070 12.219 1.00 0.00 C ATOM 276 CG LYS A 20 3.790 -8.362 11.688 1.00 0.00 C ATOM 277 CD LYS A 20 4.674 -9.568 11.992 1.00 0.00 C ATOM 278 CE LYS A 20 4.275 -10.714 11.067 1.00 0.00 C ATOM 279 NZ LYS A 20 5.170 -11.874 11.203 1.00 0.00 N ATOM 0 H LYS A 20 5.221 -5.839 10.335 1.00 0.00 H new ATOM 0 HA LYS A 20 2.631 -6.195 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.467 -7.006 11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.406 -7.060 13.309 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.808 -8.503 12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.637 -8.281 10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.724 -9.313 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.560 -9.867 13.034 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.252 -11.018 11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.288 -10.366 10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.168 -12.420 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.136 -11.545 11.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.839 -12.478 11.982 1.00 0.00 H new ATOM 293 N ASP A 21 3.389 -3.515 12.419 1.00 0.00 N ATOM 294 CA ASP A 21 2.806 -2.454 13.238 1.00 0.00 C ATOM 295 C ASP A 21 1.295 -2.373 12.985 1.00 0.00 C ATOM 296 O ASP A 21 0.542 -1.967 13.868 1.00 0.00 O ATOM 297 CB ASP A 21 3.458 -1.112 12.872 1.00 0.00 C ATOM 298 CG ASP A 21 2.756 0.074 13.540 1.00 0.00 C ATOM 299 OD1 ASP A 21 2.837 0.207 14.784 1.00 0.00 O ATOM 300 OD2 ASP A 21 2.156 0.904 12.819 1.00 0.00 O ATOM 0 H ASP A 21 3.865 -3.171 11.585 1.00 0.00 H new ATOM 0 HA ASP A 21 2.983 -2.673 14.291 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.506 -1.126 13.170 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.436 -0.983 11.790 1.00 0.00 H new ATOM 305 N VAL A 22 0.822 -2.812 11.819 1.00 0.00 N ATOM 306 CA VAL A 22 -0.560 -2.756 11.373 1.00 0.00 C ATOM 307 C VAL A 22 -0.951 -4.178 10.926 1.00 0.00 C ATOM 308 O VAL A 22 -0.056 -4.996 10.686 1.00 0.00 O ATOM 309 CB VAL A 22 -0.690 -1.724 10.221 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.659 -0.583 10.565 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.610 -1.022 9.783 1.00 0.00 C ATOM 0 H VAL A 22 1.433 -3.240 11.124 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.232 -2.431 12.167 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.043 -2.359 9.409 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.715 0.112 9.727 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.649 -0.994 10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.302 -0.056 11.450 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.392 -0.326 8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.031 -0.476 10.627 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.327 -1.767 9.438 1.00 0.00 H new ATOM 321 N PRO A 23 -2.246 -4.527 10.842 1.00 0.00 N ATOM 322 CA PRO A 23 -2.669 -5.799 10.273 1.00 0.00 C ATOM 323 C PRO A 23 -2.459 -5.806 8.751 1.00 0.00 C ATOM 324 O PRO A 23 -1.992 -4.828 8.151 1.00 0.00 O ATOM 325 CB PRO A 23 -4.135 -5.958 10.687 1.00 0.00 C ATOM 326 CG PRO A 23 -4.628 -4.519 10.758 1.00 0.00 C ATOM 327 CD PRO A 23 -3.406 -3.744 11.238 1.00 0.00 C ATOM 0 HA PRO A 23 -2.084 -6.644 10.637 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.699 -6.542 9.960 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.231 -6.465 11.647 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.971 -4.164 9.786 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.465 -4.416 11.449 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.375 -2.750 10.791 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.432 -3.607 12.319 1.00 0.00 H new ATOM 335 N SER A 24 -2.799 -6.932 8.129 1.00 0.00 N ATOM 336 CA SER A 24 -2.576 -7.187 6.716 1.00 0.00 C ATOM 337 C SER A 24 -3.896 -7.483 6.010 1.00 0.00 C ATOM 338 O SER A 24 -4.960 -7.476 6.639 1.00 0.00 O ATOM 339 CB SER A 24 -1.557 -8.327 6.565 1.00 0.00 C ATOM 340 OG SER A 24 -1.993 -9.528 7.162 1.00 0.00 O ATOM 0 H SER A 24 -3.249 -7.711 8.610 1.00 0.00 H new ATOM 0 HA SER A 24 -2.162 -6.300 6.236 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.366 -8.501 5.506 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.611 -8.025 7.014 1.00 0.00 H new ATOM 0 HG SER A 24 -1.254 -10.172 7.179 1.00 0.00 H new ATOM 346 N PHE A 25 -3.847 -7.770 4.712 1.00 0.00 N ATOM 347 CA PHE A 25 -4.937 -8.379 3.986 1.00 0.00 C ATOM 348 C PHE A 25 -4.349 -9.375 3.014 1.00 0.00 C ATOM 349 O PHE A 25 -3.210 -9.207 2.569 1.00 0.00 O ATOM 350 CB PHE A 25 -5.666 -7.272 3.250 1.00 0.00 C ATOM 351 CG PHE A 25 -6.752 -7.680 2.278 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.960 -8.223 2.748 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.560 -7.484 0.897 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.954 -8.615 1.837 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.571 -7.837 -0.009 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.759 -8.424 0.459 1.00 0.00 C ATOM 0 H PHE A 25 -3.030 -7.579 4.132 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.634 -8.897 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.110 -6.609 3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.926 -6.687 2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.124 -8.339 3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.634 -7.062 0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.869 -9.063 2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.437 -7.658 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.523 -8.729 -0.241 1.00 0.00 H new ATOM 366 N VAL A 26 -5.146 -10.370 2.659 1.00 0.00 N ATOM 367 CA VAL A 26 -4.825 -11.374 1.680 1.00 0.00 C ATOM 368 C VAL A 26 -6.034 -11.568 0.774 1.00 0.00 C ATOM 369 O VAL A 26 -7.132 -11.842 1.265 1.00 0.00 O ATOM 370 CB VAL A 26 -4.304 -12.639 2.378 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.376 -13.523 3.007 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.486 -13.491 1.403 1.00 0.00 C ATOM 0 H VAL A 26 -6.072 -10.498 3.068 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.007 -11.068 1.028 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.691 -12.262 3.197 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.906 -14.389 3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.920 -12.955 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.070 -13.858 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.125 -14.383 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.113 -13.784 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.637 -12.913 1.039 1.00 0.00 H new ATOM 382 N HIS A 27 -5.844 -11.428 -0.539 1.00 0.00 N ATOM 383 CA HIS A 27 -6.879 -11.776 -1.502 1.00 0.00 C ATOM 384 C HIS A 27 -6.477 -12.988 -2.332 1.00 0.00 C ATOM 385 O HIS A 27 -5.355 -13.476 -2.285 1.00 0.00 O ATOM 386 CB HIS A 27 -7.302 -10.558 -2.324 1.00 0.00 C ATOM 387 CG HIS A 27 -6.220 -9.767 -3.020 1.00 0.00 C ATOM 388 ND1 HIS A 27 -4.880 -10.036 -3.093 1.00 0.00 N flip ATOM 389 CD2 HIS A 27 -6.439 -8.605 -3.709 1.00 0.00 C flip ATOM 390 CE1 HIS A 27 -4.254 -8.999 -3.789 1.00 0.00 C flip ATOM 391 NE2 HIS A 27 -5.251 -8.174 -4.153 1.00 0.00 N flip ATOM 0 H HIS A 27 -4.982 -11.076 -0.955 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.774 -12.083 -0.962 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.010 -10.895 -3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.841 -9.879 -1.663 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.393 -8.124 -3.866 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.199 -8.885 -3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.119 -7.324 -4.700 1.00 0.00 H new ATOM 399 N GLU A 28 -7.425 -13.486 -3.098 1.00 0.00 N ATOM 400 CA GLU A 28 -7.434 -14.804 -3.732 1.00 0.00 C ATOM 401 C GLU A 28 -6.581 -14.886 -5.009 1.00 0.00 C ATOM 402 O GLU A 28 -6.595 -15.904 -5.700 1.00 0.00 O ATOM 403 CB GLU A 28 -8.896 -15.227 -4.001 1.00 0.00 C ATOM 404 CG GLU A 28 -9.756 -15.466 -2.743 1.00 0.00 C ATOM 405 CD GLU A 28 -10.064 -14.218 -1.902 1.00 0.00 C ATOM 406 OE1 GLU A 28 -10.128 -13.087 -2.439 1.00 0.00 O ATOM 407 OE2 GLU A 28 -10.196 -14.345 -0.663 1.00 0.00 O ATOM 0 H GLU A 28 -8.268 -12.953 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.966 -15.502 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.374 -14.457 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.889 -16.141 -4.595 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.700 -15.917 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.247 -16.192 -2.110 1.00 0.00 H new ATOM 414 N GLY A 29 -5.816 -13.838 -5.303 1.00 0.00 N ATOM 415 CA GLY A 29 -4.979 -13.701 -6.491 1.00 0.00 C ATOM 416 C GLY A 29 -5.740 -13.129 -7.689 1.00 0.00 C ATOM 417 O GLY A 29 -6.928 -12.807 -7.592 1.00 0.00 O ATOM 0 H GLY A 29 -5.760 -13.024 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.133 -13.054 -6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.571 -14.676 -6.757 1.00 0.00 H new ATOM 421 N GLY A 30 -5.038 -12.984 -8.819 1.00 0.00 N ATOM 422 CA GLY A 30 -5.473 -12.163 -9.938 1.00 0.00 C ATOM 423 C GLY A 30 -5.090 -10.718 -9.628 1.00 0.00 C ATOM 424 O GLY A 30 -5.190 -10.288 -8.481 1.00 0.00 O ATOM 0 H GLY A 30 -4.141 -13.443 -8.977 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.000 -12.494 -10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.550 -12.251 -10.082 1.00 0.00 H new ATOM 428 N ASP A 31 -4.600 -9.970 -10.618 1.00 0.00 N ATOM 429 CA ASP A 31 -4.255 -8.560 -10.422 1.00 0.00 C ATOM 430 C ASP A 31 -5.495 -7.719 -10.149 1.00 0.00 C ATOM 431 O ASP A 31 -6.523 -7.877 -10.811 1.00 0.00 O ATOM 432 CB ASP A 31 -3.385 -7.963 -11.528 1.00 0.00 C ATOM 433 CG ASP A 31 -3.797 -8.312 -12.949 1.00 0.00 C ATOM 434 OD1 ASP A 31 -3.500 -9.459 -13.357 1.00 0.00 O ATOM 435 OD2 ASP A 31 -4.282 -7.420 -13.680 1.00 0.00 O ATOM 0 H ASP A 31 -4.433 -10.316 -11.563 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.625 -8.534 -9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.390 -6.878 -11.424 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.358 -8.293 -11.375 1.00 0.00 H new ATOM 440 N VAL A 32 -5.393 -6.812 -9.170 1.00 0.00 N ATOM 441 CA VAL A 32 -6.535 -6.159 -8.534 1.00 0.00 C ATOM 442 C VAL A 32 -6.130 -4.725 -8.198 1.00 0.00 C ATOM 443 O VAL A 32 -5.031 -4.537 -7.690 1.00 0.00 O ATOM 444 CB VAL A 32 -6.946 -6.934 -7.269 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.796 -6.155 -6.246 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.731 -8.209 -7.604 1.00 0.00 C ATOM 0 H VAL A 32 -4.495 -6.508 -8.793 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.395 -6.146 -9.203 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.980 -7.150 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.026 -6.800 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.240 -5.284 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.724 -5.830 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.000 -8.724 -6.682 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.637 -7.946 -8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.115 -8.865 -8.219 1.00 0.00 H new ATOM 456 N PRO A 33 -6.988 -3.724 -8.446 1.00 0.00 N ATOM 457 CA PRO A 33 -6.698 -2.308 -8.249 1.00 0.00 C ATOM 458 C PRO A 33 -6.127 -1.956 -6.879 1.00 0.00 C ATOM 459 O PRO A 33 -6.686 -2.387 -5.869 1.00 0.00 O ATOM 460 CB PRO A 33 -8.053 -1.618 -8.459 1.00 0.00 C ATOM 461 CG PRO A 33 -8.802 -2.527 -9.422 1.00 0.00 C ATOM 462 CD PRO A 33 -8.304 -3.911 -9.028 1.00 0.00 C ATOM 0 HA PRO A 33 -5.918 -1.988 -8.940 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.592 -1.508 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.928 -0.618 -8.874 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.882 -2.437 -9.307 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.572 -2.294 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.982 -4.378 -8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.254 -4.568 -9.897 1.00 0.00 H new ATOM 470 N LEU A 34 -5.150 -1.033 -6.819 1.00 0.00 N ATOM 471 CA LEU A 34 -4.775 -0.390 -5.562 1.00 0.00 C ATOM 472 C LEU A 34 -6.014 0.107 -4.789 1.00 0.00 C ATOM 473 O LEU A 34 -6.182 -0.151 -3.597 1.00 0.00 O ATOM 474 CB LEU A 34 -3.651 0.654 -5.676 1.00 0.00 C ATOM 475 CG LEU A 34 -3.485 1.626 -6.862 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.714 1.940 -7.729 1.00 0.00 C ATOM 477 CD2 LEU A 34 -2.765 2.916 -6.482 1.00 0.00 C ATOM 0 H LEU A 34 -4.612 -0.721 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.316 -1.172 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.723 1.275 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.715 0.100 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.857 1.021 -7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.434 2.637 -8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.090 1.019 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.492 2.387 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.680 3.557 -7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.331 3.434 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.769 2.680 -6.107 1.00 0.00 H new ATOM 489 N VAL A 35 -6.935 0.749 -5.506 1.00 0.00 N ATOM 490 CA VAL A 35 -8.172 1.377 -5.033 1.00 0.00 C ATOM 491 C VAL A 35 -9.291 0.379 -4.744 1.00 0.00 C ATOM 492 O VAL A 35 -10.423 0.773 -4.451 1.00 0.00 O ATOM 493 CB VAL A 35 -8.531 2.465 -6.056 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.068 1.929 -7.387 1.00 0.00 C ATOM 495 CG2 VAL A 35 -9.454 3.526 -5.478 1.00 0.00 C ATOM 0 H VAL A 35 -6.828 0.853 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.022 1.834 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.578 2.940 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.296 2.764 -8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.316 1.291 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.974 1.350 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.676 4.271 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.381 3.060 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.967 4.010 -4.631 1.00 0.00 H new ATOM 505 N GLU A 36 -8.971 -0.906 -4.791 1.00 0.00 N ATOM 506 CA GLU A 36 -9.839 -1.980 -4.382 1.00 0.00 C ATOM 507 C GLU A 36 -9.145 -2.750 -3.265 1.00 0.00 C ATOM 508 O GLU A 36 -9.740 -2.925 -2.213 1.00 0.00 O ATOM 509 CB GLU A 36 -10.195 -2.801 -5.626 1.00 0.00 C ATOM 510 CG GLU A 36 -11.084 -4.013 -5.375 1.00 0.00 C ATOM 511 CD GLU A 36 -12.204 -3.761 -4.351 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.028 -2.832 -4.548 1.00 0.00 O ATOM 513 OE2 GLU A 36 -12.234 -4.452 -3.310 1.00 0.00 O ATOM 0 H GLU A 36 -8.065 -1.232 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.787 -1.641 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.694 -2.147 -6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.271 -3.140 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.531 -4.325 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.465 -4.840 -5.026 1.00 0.00 H new ATOM 520 N LEU A 37 -7.858 -3.087 -3.368 1.00 0.00 N ATOM 521 CA LEU A 37 -7.185 -3.872 -2.349 1.00 0.00 C ATOM 522 C LEU A 37 -7.049 -3.039 -1.099 1.00 0.00 C ATOM 523 O LEU A 37 -7.008 -3.627 -0.035 1.00 0.00 O ATOM 524 CB LEU A 37 -5.834 -4.413 -2.840 1.00 0.00 C ATOM 525 CG LEU A 37 -4.781 -3.346 -3.199 1.00 0.00 C ATOM 526 CD1 LEU A 37 -3.944 -2.834 -2.021 1.00 0.00 C ATOM 527 CD2 LEU A 37 -3.814 -3.940 -4.216 1.00 0.00 C ATOM 0 H LEU A 37 -7.264 -2.823 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.786 -4.752 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.420 -5.061 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.009 -5.035 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.347 -2.495 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.233 -2.088 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.601 -2.384 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.402 -3.666 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.062 -3.197 -4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.325 -4.814 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.363 -4.235 -5.110 1.00 0.00 H new ATOM 539 N LEU A 38 -7.039 -1.699 -1.170 1.00 0.00 N ATOM 540 CA LEU A 38 -6.964 -0.903 0.038 1.00 0.00 C ATOM 541 C LEU A 38 -8.310 -0.893 0.748 1.00 0.00 C ATOM 542 O LEU A 38 -8.389 -0.786 1.964 1.00 0.00 O ATOM 543 CB LEU A 38 -6.420 0.515 -0.222 1.00 0.00 C ATOM 544 CG LEU A 38 -7.396 1.693 -0.447 1.00 0.00 C ATOM 545 CD1 LEU A 38 -8.406 1.510 -1.574 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.127 2.284 0.748 1.00 0.00 C ATOM 0 H LEU A 38 -7.081 -1.164 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.240 -1.372 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.786 0.778 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.775 0.458 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.638 2.423 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.039 2.395 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.878 1.368 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.025 0.636 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.769 3.099 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.735 1.513 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.401 2.665 1.467 1.00 0.00 H new ATOM 558 N VAL A 39 -9.378 -0.928 -0.034 1.00 0.00 N ATOM 559 CA VAL A 39 -10.771 -0.792 0.376 1.00 0.00 C ATOM 560 C VAL A 39 -11.190 -2.061 1.083 1.00 0.00 C ATOM 561 O VAL A 39 -11.787 -2.016 2.157 1.00 0.00 O ATOM 562 CB VAL A 39 -11.595 -0.493 -0.896 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.515 -1.559 -1.495 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.486 0.728 -0.687 1.00 0.00 C ATOM 0 H VAL A 39 -9.290 -1.061 -1.041 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.931 0.025 1.080 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.778 -0.380 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.006 -1.159 -2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.927 -2.435 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.269 -1.843 -0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.058 0.921 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.171 0.541 0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.867 1.595 -0.457 1.00 0.00 H new ATOM 574 N SER A 40 -10.827 -3.161 0.446 1.00 0.00 N ATOM 575 CA SER A 40 -10.879 -4.508 0.908 1.00 0.00 C ATOM 576 C SER A 40 -9.959 -4.657 2.120 1.00 0.00 C ATOM 577 O SER A 40 -10.414 -5.168 3.142 1.00 0.00 O ATOM 578 CB SER A 40 -10.476 -5.348 -0.303 1.00 0.00 C ATOM 579 OG SER A 40 -11.625 -5.698 -1.060 1.00 0.00 O ATOM 0 H SER A 40 -10.453 -3.110 -0.502 1.00 0.00 H new ATOM 0 HA SER A 40 -11.859 -4.832 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.777 -4.790 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.960 -6.250 0.026 1.00 0.00 H new ATOM 0 HG SER A 40 -11.698 -5.105 -1.837 1.00 0.00 H new ATOM 585 N ALA A 41 -8.727 -4.130 2.080 1.00 0.00 N ATOM 586 CA ALA A 41 -7.817 -4.298 3.212 1.00 0.00 C ATOM 587 C ALA A 41 -8.132 -3.341 4.371 1.00 0.00 C ATOM 588 O ALA A 41 -7.607 -3.521 5.462 1.00 0.00 O ATOM 589 CB ALA A 41 -6.364 -4.166 2.747 1.00 0.00 C ATOM 0 H ALA A 41 -8.349 -3.598 1.296 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.965 -5.303 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.696 -4.293 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.150 -4.931 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.210 -3.180 2.309 1.00 0.00 H new ATOM 595 N GLY A 42 -8.986 -2.330 4.170 1.00 0.00 N ATOM 596 CA GLY A 42 -9.539 -1.535 5.257 1.00 0.00 C ATOM 597 C GLY A 42 -8.666 -0.336 5.590 1.00 0.00 C ATOM 598 O GLY A 42 -8.705 0.188 6.703 1.00 0.00 O ATOM 0 H GLY A 42 -9.309 -2.045 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.537 -1.192 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.649 -2.160 6.143 1.00 0.00 H new ATOM 602 N ILE A 43 -7.921 0.142 4.599 1.00 0.00 N ATOM 603 CA ILE A 43 -7.025 1.281 4.674 1.00 0.00 C ATOM 604 C ILE A 43 -7.949 2.512 4.599 1.00 0.00 C ATOM 605 O ILE A 43 -7.774 3.438 5.389 1.00 0.00 O ATOM 606 CB ILE A 43 -6.029 1.185 3.484 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.922 0.098 3.498 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.285 2.512 3.221 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.309 -1.235 4.125 1.00 0.00 C ATOM 0 H ILE A 43 -7.930 -0.282 3.671 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.422 1.331 5.580 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.741 0.902 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.605 -0.084 2.471 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.058 0.493 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.603 2.386 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.008 3.294 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.718 2.793 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.461 -1.918 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.595 -1.079 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.149 -1.664 3.579 1.00 0.00 H new ATOM 621 N SER A 44 -8.962 2.504 3.711 1.00 0.00 N ATOM 622 CA SER A 44 -10.088 3.436 3.711 1.00 0.00 C ATOM 623 C SER A 44 -11.240 2.747 2.984 1.00 0.00 C ATOM 624 O SER A 44 -11.215 2.701 1.761 1.00 0.00 O ATOM 625 CB SER A 44 -9.735 4.750 3.011 1.00 0.00 C ATOM 626 OG SER A 44 -8.971 5.587 3.843 1.00 0.00 O ATOM 0 H SER A 44 -9.013 1.824 2.953 1.00 0.00 H new ATOM 0 HA SER A 44 -10.359 3.689 4.736 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.180 4.539 2.097 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.650 5.264 2.717 1.00 0.00 H new ATOM 0 HG SER A 44 -8.018 5.415 3.693 1.00 0.00 H new ATOM 632 N PRO A 45 -12.245 2.198 3.682 1.00 0.00 N ATOM 633 CA PRO A 45 -13.278 1.377 3.053 1.00 0.00 C ATOM 634 C PRO A 45 -14.360 2.201 2.343 1.00 0.00 C ATOM 635 O PRO A 45 -15.160 1.671 1.572 1.00 0.00 O ATOM 636 CB PRO A 45 -13.890 0.597 4.212 1.00 0.00 C ATOM 637 CG PRO A 45 -13.747 1.537 5.411 1.00 0.00 C ATOM 638 CD PRO A 45 -12.449 2.291 5.120 1.00 0.00 C ATOM 0 HA PRO A 45 -12.849 0.747 2.273 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.935 0.352 4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.367 -0.345 4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.596 2.216 5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.689 0.985 6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.523 3.331 5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.612 1.851 5.662 1.00 0.00 H new ATOM 646 N SER A 46 -14.429 3.503 2.613 1.00 0.00 N ATOM 647 CA SER A 46 -15.467 4.352 2.059 1.00 0.00 C ATOM 648 C SER A 46 -14.994 4.707 0.661 1.00 0.00 C ATOM 649 O SER A 46 -14.014 5.431 0.548 1.00 0.00 O ATOM 650 CB SER A 46 -15.703 5.554 2.965 1.00 0.00 C ATOM 651 OG SER A 46 -16.629 6.460 2.398 1.00 0.00 O ATOM 0 H SER A 46 -13.769 3.991 3.218 1.00 0.00 H new ATOM 0 HA SER A 46 -16.440 3.864 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.072 5.214 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.757 6.065 3.146 1.00 0.00 H new ATOM 0 HG SER A 46 -16.759 7.218 3.005 1.00 0.00 H new ATOM 657 N LYS A 47 -15.613 4.171 -0.395 1.00 0.00 N ATOM 658 CA LYS A 47 -15.054 4.176 -1.753 1.00 0.00 C ATOM 659 C LYS A 47 -14.564 5.553 -2.243 1.00 0.00 C ATOM 660 O LYS A 47 -13.551 5.603 -2.930 1.00 0.00 O ATOM 661 CB LYS A 47 -16.039 3.517 -2.742 1.00 0.00 C ATOM 662 CG LYS A 47 -15.803 2.008 -2.958 1.00 0.00 C ATOM 663 CD LYS A 47 -16.032 1.098 -1.736 1.00 0.00 C ATOM 664 CE LYS A 47 -15.755 -0.358 -2.147 1.00 0.00 C ATOM 665 NZ LYS A 47 -15.839 -1.343 -1.041 1.00 0.00 N ATOM 0 H LYS A 47 -16.524 3.717 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.145 3.576 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.056 3.666 -2.378 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.966 4.026 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.457 1.671 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.778 1.868 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.374 1.391 -0.918 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.055 1.201 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.465 -0.643 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.760 -0.413 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.540 -2.278 -1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.217 -1.045 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.819 -1.398 -0.698 1.00 0.00 H new ATOM 679 N ARG A 48 -15.201 6.680 -1.894 1.00 0.00 N ATOM 680 CA ARG A 48 -14.669 8.015 -2.243 1.00 0.00 C ATOM 681 C ARG A 48 -13.381 8.299 -1.462 1.00 0.00 C ATOM 682 O ARG A 48 -12.385 8.755 -2.028 1.00 0.00 O ATOM 683 CB ARG A 48 -15.745 9.092 -1.993 1.00 0.00 C ATOM 684 CG ARG A 48 -15.512 10.462 -2.668 1.00 0.00 C ATOM 685 CD ARG A 48 -14.319 11.282 -2.142 1.00 0.00 C ATOM 686 NE ARG A 48 -14.606 12.733 -2.123 1.00 0.00 N ATOM 687 CZ ARG A 48 -13.693 13.716 -2.045 1.00 0.00 C ATOM 688 NH1 ARG A 48 -12.405 13.459 -2.193 1.00 0.00 N ATOM 689 NH2 ARG A 48 -14.076 14.968 -1.801 1.00 0.00 N ATOM 0 H ARG A 48 -16.079 6.700 -1.374 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.416 8.038 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.705 8.702 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.828 9.250 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.372 10.299 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.416 11.059 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.067 10.950 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.446 11.094 -2.767 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.586 13.013 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.092 12.504 -2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.724 14.216 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.065 15.183 -1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.381 15.712 -1.742 1.00 0.00 H new ATOM 703 N GLN A 49 -13.406 8.044 -0.149 1.00 0.00 N ATOM 704 CA GLN A 49 -12.240 8.197 0.704 1.00 0.00 C ATOM 705 C GLN A 49 -11.135 7.339 0.118 1.00 0.00 C ATOM 706 O GLN A 49 -10.057 7.863 -0.100 1.00 0.00 O ATOM 707 CB GLN A 49 -12.552 7.781 2.155 1.00 0.00 C ATOM 708 CG GLN A 49 -11.983 8.699 3.250 1.00 0.00 C ATOM 709 CD GLN A 49 -10.470 8.625 3.501 1.00 0.00 C ATOM 710 OE1 GLN A 49 -10.053 8.471 4.641 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.609 8.761 2.503 1.00 0.00 N ATOM 0 H GLN A 49 -14.240 7.726 0.345 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.933 9.242 0.740 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.634 7.732 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.167 6.774 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.235 9.728 2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.494 8.469 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.949 8.890 1.550 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.606 8.737 2.688 1.00 0.00 H new ATOM 720 N ALA A 50 -11.428 6.072 -0.176 1.00 0.00 N ATOM 721 CA ALA A 50 -10.532 5.112 -0.783 1.00 0.00 C ATOM 722 C ALA A 50 -9.890 5.668 -2.035 1.00 0.00 C ATOM 723 O ALA A 50 -8.684 5.552 -2.226 1.00 0.00 O ATOM 724 CB ALA A 50 -11.292 3.848 -1.175 1.00 0.00 C ATOM 0 H ALA A 50 -12.348 5.676 0.017 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.762 4.887 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.604 3.136 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.740 3.403 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.076 4.101 -1.888 1.00 0.00 H new ATOM 730 N ARG A 51 -10.722 6.248 -2.899 1.00 0.00 N ATOM 731 CA ARG A 51 -10.262 6.789 -4.152 1.00 0.00 C ATOM 732 C ARG A 51 -9.275 7.893 -3.916 1.00 0.00 C ATOM 733 O ARG A 51 -8.242 7.836 -4.568 1.00 0.00 O ATOM 734 CB ARG A 51 -11.444 7.144 -5.073 1.00 0.00 C ATOM 735 CG ARG A 51 -11.830 5.838 -5.774 1.00 0.00 C ATOM 736 CD ARG A 51 -13.188 5.728 -6.460 1.00 0.00 C ATOM 737 NE ARG A 51 -13.261 4.392 -7.081 1.00 0.00 N ATOM 738 CZ ARG A 51 -12.604 4.029 -8.192 1.00 0.00 C ATOM 739 NH1 ARG A 51 -12.164 4.920 -9.074 1.00 0.00 N ATOM 740 NH2 ARG A 51 -12.344 2.746 -8.395 1.00 0.00 N ATOM 0 H ARG A 51 -11.725 6.350 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.710 6.028 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.281 7.543 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.161 7.908 -5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.067 5.632 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.772 5.040 -5.034 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.994 5.861 -5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.302 6.508 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.854 3.694 -6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.323 5.915 -8.916 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.668 4.609 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.643 2.051 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.845 2.453 -9.235 1.00 0.00 H new ATOM 754 N GLU A 52 -9.477 8.779 -2.939 1.00 0.00 N ATOM 755 CA GLU A 52 -8.383 9.729 -2.683 1.00 0.00 C ATOM 756 C GLU A 52 -7.238 9.113 -1.892 1.00 0.00 C ATOM 757 O GLU A 52 -6.093 9.543 -2.023 1.00 0.00 O ATOM 758 CB GLU A 52 -8.844 11.051 -2.060 1.00 0.00 C ATOM 759 CG GLU A 52 -8.413 12.253 -2.934 1.00 0.00 C ATOM 760 CD GLU A 52 -9.649 13.088 -3.268 1.00 0.00 C ATOM 761 OE1 GLU A 52 -10.560 12.559 -3.946 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.790 14.236 -2.781 1.00 0.00 O ATOM 0 H GLU A 52 -10.309 8.864 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.999 9.976 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.928 11.047 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.422 11.153 -1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.679 12.861 -2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.936 11.902 -3.849 1.00 0.00 H new ATOM 769 N ASP A 53 -7.513 8.072 -1.111 1.00 0.00 N ATOM 770 CA ASP A 53 -6.494 7.331 -0.398 1.00 0.00 C ATOM 771 C ASP A 53 -5.577 6.587 -1.332 1.00 0.00 C ATOM 772 O ASP A 53 -4.475 6.256 -0.905 1.00 0.00 O ATOM 773 CB ASP A 53 -7.097 6.362 0.631 1.00 0.00 C ATOM 774 CG ASP A 53 -6.764 6.731 2.068 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.757 7.936 2.423 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.599 5.819 2.902 1.00 0.00 O ATOM 0 H ASP A 53 -8.459 7.722 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.904 8.074 0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.180 6.341 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.734 5.354 0.428 1.00 0.00 H new ATOM 781 N ILE A 54 -6.008 6.375 -2.575 1.00 0.00 N ATOM 782 CA ILE A 54 -5.161 5.987 -3.658 1.00 0.00 C ATOM 783 C ILE A 54 -4.668 7.192 -4.404 1.00 0.00 C ATOM 784 O ILE A 54 -3.481 7.241 -4.631 1.00 0.00 O ATOM 785 CB ILE A 54 -5.820 4.932 -4.573 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.139 3.605 -4.233 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.728 5.210 -6.089 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.565 3.115 -2.866 1.00 0.00 C ATOM 0 H ILE A 54 -6.987 6.476 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.286 5.491 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.893 4.937 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.391 2.859 -4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.056 3.730 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.222 4.408 -6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.216 6.158 -6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.681 5.261 -6.387 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.068 2.170 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.290 3.853 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.645 2.968 -2.852 1.00 0.00 H new ATOM 800 N GLN A 55 -5.518 8.117 -4.843 1.00 0.00 N ATOM 801 CA GLN A 55 -5.150 9.118 -5.828 1.00 0.00 C ATOM 802 C GLN A 55 -4.156 10.105 -5.242 1.00 0.00 C ATOM 803 O GLN A 55 -3.523 10.839 -6.004 1.00 0.00 O ATOM 804 CB GLN A 55 -6.406 9.823 -6.355 1.00 0.00 C ATOM 805 CG GLN A 55 -7.182 8.912 -7.322 1.00 0.00 C ATOM 806 CD GLN A 55 -8.665 9.243 -7.452 1.00 0.00 C ATOM 807 OE1 GLN A 55 -9.277 9.897 -6.612 1.00 0.00 O ATOM 808 NE2 GLN A 55 -9.303 8.746 -8.496 1.00 0.00 N ATOM 0 H GLN A 55 -6.483 8.190 -4.522 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.662 8.627 -6.670 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.048 10.104 -5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.124 10.744 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.721 8.974 -8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.081 7.879 -6.988 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.794 8.203 -9.193 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.305 8.905 -8.605 1.00 0.00 H new ATOM 817 N ASN A 56 -3.976 10.113 -3.916 1.00 0.00 N ATOM 818 CA ASN A 56 -2.973 10.953 -3.314 1.00 0.00 C ATOM 819 C ASN A 56 -1.630 10.272 -3.302 1.00 0.00 C ATOM 820 O ASN A 56 -1.475 9.196 -2.744 1.00 0.00 O ATOM 821 CB ASN A 56 -3.318 11.307 -1.854 1.00 0.00 C ATOM 822 CG ASN A 56 -4.526 12.196 -1.589 1.00 0.00 C ATOM 823 OD1 ASN A 56 -5.022 12.213 -0.460 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.991 12.983 -2.545 1.00 0.00 N ATOM 0 H ASN A 56 -4.513 9.548 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.941 11.860 -3.918 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.468 10.373 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.446 11.793 -1.415 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.769 13.614 -2.353 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.572 12.959 -3.474 1.00 0.00 H new ATOM 831 N GLY A 57 -0.596 10.992 -3.723 1.00 0.00 N ATOM 832 CA GLY A 57 0.793 10.588 -3.581 1.00 0.00 C ATOM 833 C GLY A 57 1.284 10.535 -2.133 1.00 0.00 C ATOM 834 O GLY A 57 2.486 10.567 -1.893 1.00 0.00 O ATOM 0 H GLY A 57 -0.706 11.895 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.922 9.605 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.421 11.281 -4.141 1.00 0.00 H new ATOM 838 N ALA A 58 0.390 10.503 -1.149 1.00 0.00 N ATOM 839 CA ALA A 58 0.744 10.117 0.199 1.00 0.00 C ATOM 840 C ALA A 58 0.486 8.630 0.428 1.00 0.00 C ATOM 841 O ALA A 58 0.689 8.192 1.551 1.00 0.00 O ATOM 842 CB ALA A 58 0.022 10.992 1.211 1.00 0.00 C ATOM 0 H ALA A 58 -0.594 10.744 -1.270 1.00 0.00 H new ATOM 0 HA ALA A 58 1.813 10.275 0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.300 10.687 2.220 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.302 12.034 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.055 10.883 1.083 1.00 0.00 H new ATOM 848 N ILE A 59 -0.031 7.861 -0.536 1.00 0.00 N ATOM 849 CA ILE A 59 0.029 6.405 -0.515 1.00 0.00 C ATOM 850 C ILE A 59 1.359 6.114 -1.215 1.00 0.00 C ATOM 851 O ILE A 59 1.508 6.041 -2.439 1.00 0.00 O ATOM 852 CB ILE A 59 -1.292 5.798 -1.005 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.423 4.285 -0.863 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.725 6.269 -2.393 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.432 3.535 -1.739 1.00 0.00 C ATOM 0 H ILE A 59 -0.505 8.239 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 59 0.070 5.901 0.450 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.002 6.214 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.268 4.005 0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.437 3.984 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.667 5.792 -2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.855 7.351 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.961 6.000 -3.123 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.565 2.462 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.604 3.792 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.584 3.813 -1.459 1.00 0.00 H new ATOM 867 N TYR A 60 2.382 6.072 -0.371 1.00 0.00 N ATOM 868 CA TYR A 60 3.671 5.555 -0.699 1.00 0.00 C ATOM 869 C TYR A 60 3.507 4.054 -0.616 1.00 0.00 C ATOM 870 O TYR A 60 3.405 3.492 0.470 1.00 0.00 O ATOM 871 CB TYR A 60 4.749 6.125 0.231 1.00 0.00 C ATOM 872 CG TYR A 60 4.651 7.604 0.552 1.00 0.00 C ATOM 873 CD1 TYR A 60 5.294 8.545 -0.268 1.00 0.00 C ATOM 874 CD2 TYR A 60 3.960 8.040 1.698 1.00 0.00 C ATOM 875 CE1 TYR A 60 5.221 9.916 0.028 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.900 9.406 2.020 1.00 0.00 C ATOM 877 CZ TYR A 60 4.533 10.349 1.184 1.00 0.00 C ATOM 878 OH TYR A 60 4.527 11.668 1.518 1.00 0.00 O ATOM 0 H TYR A 60 2.318 6.412 0.588 1.00 0.00 H new ATOM 0 HA TYR A 60 4.015 5.843 -1.692 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.720 5.570 1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.723 5.937 -0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.849 8.212 -1.133 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.472 7.318 2.335 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.689 10.637 -0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.372 9.732 2.904 1.00 0.00 H new ATOM 0 HH TYR A 60 4.008 11.795 2.339 1.00 0.00 H new ATOM 888 N VAL A 61 3.407 3.393 -1.755 1.00 0.00 N ATOM 889 CA VAL A 61 3.336 1.943 -1.754 1.00 0.00 C ATOM 890 C VAL A 61 4.781 1.555 -1.543 1.00 0.00 C ATOM 891 O VAL A 61 5.641 2.184 -2.151 1.00 0.00 O ATOM 892 CB VAL A 61 2.794 1.418 -3.096 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.790 1.600 -4.244 1.00 0.00 C ATOM 894 CG2 VAL A 61 2.465 -0.073 -3.039 1.00 0.00 C ATOM 0 H VAL A 61 3.374 3.827 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 61 2.665 1.531 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 61 1.895 2.007 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.357 1.213 -5.166 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.015 2.659 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.708 1.057 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.086 -0.399 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.366 -0.635 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.708 -0.250 -2.275 1.00 0.00 H new ATOM 904 N ASN A 62 5.075 0.572 -0.696 1.00 0.00 N ATOM 905 CA ASN A 62 6.391 -0.018 -0.448 1.00 0.00 C ATOM 906 C ASN A 62 7.225 0.930 0.409 1.00 0.00 C ATOM 907 O ASN A 62 7.630 0.616 1.527 1.00 0.00 O ATOM 908 CB ASN A 62 7.027 -0.399 -1.798 1.00 0.00 C ATOM 909 CG ASN A 62 6.809 -1.815 -2.219 1.00 0.00 C ATOM 910 OD1 ASN A 62 6.250 -2.646 -1.508 1.00 0.00 O ATOM 911 ND2 ASN A 62 7.224 -2.048 -3.445 1.00 0.00 N ATOM 0 H ASN A 62 4.351 0.136 -0.125 1.00 0.00 H new ATOM 0 HA ASN A 62 6.320 -0.941 0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.628 0.260 -2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.100 -0.213 -1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.088 -2.968 -3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.681 -1.308 -3.978 1.00 0.00 H new ATOM 918 N GLY A 63 7.334 2.148 -0.081 1.00 0.00 N ATOM 919 CA GLY A 63 7.936 3.353 0.447 1.00 0.00 C ATOM 920 C GLY A 63 7.955 4.479 -0.597 1.00 0.00 C ATOM 921 O GLY A 63 8.487 5.543 -0.284 1.00 0.00 O ATOM 0 H GLY A 63 6.940 2.341 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.383 3.681 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.954 3.140 0.772 1.00 0.00 H new ATOM 925 N GLU A 64 7.359 4.299 -1.785 1.00 0.00 N ATOM 926 CA GLU A 64 7.467 5.162 -2.951 1.00 0.00 C ATOM 927 C GLU A 64 6.062 5.620 -3.343 1.00 0.00 C ATOM 928 O GLU A 64 5.133 4.825 -3.445 1.00 0.00 O ATOM 929 CB GLU A 64 8.205 4.465 -4.117 1.00 0.00 C ATOM 930 CG GLU A 64 7.678 3.100 -4.630 1.00 0.00 C ATOM 931 CD GLU A 64 8.285 1.840 -3.984 1.00 0.00 C ATOM 932 OE1 GLU A 64 9.063 1.948 -3.010 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.055 0.721 -4.510 1.00 0.00 O ATOM 0 H GLU A 64 6.754 3.496 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 64 8.072 6.035 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.211 5.154 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.242 4.324 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.599 3.073 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.852 3.050 -5.705 1.00 0.00 H new ATOM 940 N ARG A 65 5.869 6.926 -3.501 1.00 0.00 N ATOM 941 CA ARG A 65 4.603 7.581 -3.811 1.00 0.00 C ATOM 942 C ARG A 65 4.059 7.023 -5.122 1.00 0.00 C ATOM 943 O ARG A 65 4.605 7.350 -6.176 1.00 0.00 O ATOM 944 CB ARG A 65 4.882 9.102 -3.823 1.00 0.00 C ATOM 945 CG ARG A 65 3.881 9.974 -4.588 1.00 0.00 C ATOM 946 CD ARG A 65 4.506 10.515 -5.879 1.00 0.00 C ATOM 947 NE ARG A 65 3.490 11.072 -6.781 1.00 0.00 N ATOM 948 CZ ARG A 65 3.446 10.915 -8.106 1.00 0.00 C ATOM 949 NH1 ARG A 65 4.426 10.329 -8.782 1.00 0.00 N ATOM 950 NH2 ARG A 65 2.362 11.334 -8.738 1.00 0.00 N ATOM 0 H ARG A 65 6.635 7.593 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 65 3.824 7.391 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.919 9.450 -2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.872 9.264 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.991 9.391 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.559 10.804 -3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.237 11.285 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.044 9.714 -6.387 1.00 0.00 H new ATOM 0 HE ARG A 65 2.750 11.630 -6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.248 9.981 -8.289 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.357 10.227 -9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.598 11.759 -8.213 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.290 11.232 -9.750 1.00 0.00 H new ATOM 964 N LEU A 66 3.011 6.196 -5.092 1.00 0.00 N ATOM 965 CA LEU A 66 2.441 5.586 -6.290 1.00 0.00 C ATOM 966 C LEU A 66 0.927 5.507 -6.087 1.00 0.00 C ATOM 967 O LEU A 66 0.447 4.767 -5.239 1.00 0.00 O ATOM 968 CB LEU A 66 3.072 4.223 -6.560 1.00 0.00 C ATOM 969 CG LEU A 66 4.523 4.267 -7.083 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.024 2.843 -7.280 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.675 4.995 -8.425 1.00 0.00 C ATOM 0 H LEU A 66 2.534 5.931 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 66 2.653 6.187 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.052 3.641 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.456 3.692 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 66 5.098 4.816 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.049 2.866 -7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.993 2.312 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.389 2.331 -8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.722 4.985 -8.728 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.073 4.492 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.338 6.026 -8.320 1.00 0.00 H new ATOM 983 N GLN A 67 0.186 6.312 -6.846 1.00 0.00 N ATOM 984 CA GLN A 67 -1.240 6.590 -6.717 1.00 0.00 C ATOM 985 C GLN A 67 -2.030 6.237 -7.990 1.00 0.00 C ATOM 986 O GLN A 67 -3.168 6.678 -8.182 1.00 0.00 O ATOM 987 CB GLN A 67 -1.436 8.065 -6.243 1.00 0.00 C ATOM 988 CG GLN A 67 -0.622 9.232 -6.782 1.00 0.00 C ATOM 989 CD GLN A 67 -0.326 9.138 -8.271 1.00 0.00 C ATOM 990 OE1 GLN A 67 0.845 8.656 -8.663 1.00 0.00 O flip ATOM 991 NE2 GLN A 67 -1.171 9.489 -9.090 1.00 0.00 N flip ATOM 0 H GLN A 67 0.599 6.824 -7.625 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.663 5.936 -5.954 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.482 8.310 -6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.292 8.063 -5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.160 10.159 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.320 9.288 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.067 9.858 -8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.977 9.412 -10.088 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.442 5.443 -8.884 1.00 0.00 N ATOM 1001 CA ASP A 68 -1.967 5.123 -10.206 1.00 0.00 C ATOM 1002 C ASP A 68 -2.199 3.617 -10.304 1.00 0.00 C ATOM 1003 O ASP A 68 -1.406 2.833 -9.784 1.00 0.00 O ATOM 1004 CB ASP A 68 -0.970 5.633 -11.251 1.00 0.00 C ATOM 1005 CG ASP A 68 -1.376 5.401 -12.708 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -2.539 5.042 -13.002 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -0.517 5.631 -13.586 1.00 0.00 O ATOM 0 H ASP A 68 -0.549 4.987 -8.696 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.927 5.608 -10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.823 6.702 -11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.008 5.151 -11.078 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.285 3.206 -10.952 1.00 0.00 N ATOM 1013 CA VAL A 69 -3.647 1.814 -11.187 1.00 0.00 C ATOM 1014 C VAL A 69 -2.531 1.094 -11.940 1.00 0.00 C ATOM 1015 O VAL A 69 -2.110 0.016 -11.535 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.031 1.800 -11.875 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.027 2.287 -13.333 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -5.693 0.428 -11.810 1.00 0.00 C ATOM 0 H VAL A 69 -3.963 3.860 -11.343 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.747 1.248 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.612 2.519 -11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.040 2.243 -13.734 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.666 3.315 -13.372 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.373 1.649 -13.928 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.663 0.468 -12.306 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.060 -0.306 -12.309 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.830 0.139 -10.768 1.00 0.00 H new ATOM 1028 N GLY A 70 -1.955 1.743 -12.952 1.00 0.00 N ATOM 1029 CA GLY A 70 -0.849 1.166 -13.697 1.00 0.00 C ATOM 1030 C GLY A 70 0.458 1.147 -12.927 1.00 0.00 C ATOM 1031 O GLY A 70 1.429 0.546 -13.390 1.00 0.00 O ATOM 0 H GLY A 70 -2.240 2.669 -13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.107 0.146 -13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.710 1.730 -14.619 1.00 0.00 H new ATOM 1035 N ALA A 71 0.502 1.796 -11.763 1.00 0.00 N ATOM 1036 CA ALA A 71 1.618 1.680 -10.851 1.00 0.00 C ATOM 1037 C ALA A 71 1.425 0.456 -9.966 1.00 0.00 C ATOM 1038 O ALA A 71 2.385 -0.295 -9.779 1.00 0.00 O ATOM 1039 CB ALA A 71 1.811 2.947 -10.021 1.00 0.00 C ATOM 0 H ALA A 71 -0.240 2.414 -11.435 1.00 0.00 H new ATOM 0 HA ALA A 71 2.530 1.555 -11.435 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.660 2.816 -9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.000 3.791 -10.684 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.912 3.139 -9.436 1.00 0.00 H new ATOM 1045 N ILE A 72 0.229 0.208 -9.402 1.00 0.00 N ATOM 1046 CA ILE A 72 0.032 -0.941 -8.535 1.00 0.00 C ATOM 1047 C ILE A 72 -1.328 -1.612 -8.745 1.00 0.00 C ATOM 1048 O ILE A 72 -2.376 -0.973 -8.614 1.00 0.00 O ATOM 1049 CB ILE A 72 0.188 -0.561 -7.067 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.241 0.520 -6.762 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.583 -1.837 -6.293 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.608 1.633 -5.937 1.00 0.00 C ATOM 0 H ILE A 72 -0.600 0.787 -9.536 1.00 0.00 H new ATOM 0 HA ILE A 72 0.807 -1.658 -8.808 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.769 -0.134 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.079 0.083 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.641 0.925 -7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.703 -1.599 -5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.197 -2.589 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.523 -2.225 -6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.355 2.397 -5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.215 2.078 -6.497 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.230 1.222 -5.001 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.291 -2.926 -8.968 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.412 -3.812 -8.857 1.00 0.00 C ATOM 1066 C LEU A 73 -1.984 -4.735 -7.715 1.00 0.00 C ATOM 1067 O LEU A 73 -2.088 -4.345 -6.560 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.755 -4.474 -10.197 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.193 -3.445 -11.260 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.455 -4.114 -12.605 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.466 -2.712 -10.862 1.00 0.00 C ATOM 0 H LEU A 73 -0.434 -3.406 -9.242 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.365 -3.338 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.887 -5.023 -10.562 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.553 -5.201 -10.047 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.369 -2.735 -11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.762 -3.362 -13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.545 -4.603 -12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.246 -4.856 -12.495 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.734 -1.999 -11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.275 -3.431 -10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.302 -2.180 -9.925 1.00 0.00 H new ATOM 1083 N THR A 74 -1.356 -5.873 -7.995 1.00 0.00 N ATOM 1084 CA THR A 74 -0.985 -6.878 -7.001 1.00 0.00 C ATOM 1085 C THR A 74 0.501 -6.866 -6.648 1.00 0.00 C ATOM 1086 O THR A 74 1.281 -6.037 -7.118 1.00 0.00 O ATOM 1087 CB THR A 74 -1.416 -8.247 -7.549 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.282 -8.274 -8.961 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.860 -8.483 -7.126 1.00 0.00 C ATOM 0 H THR A 74 -1.083 -6.129 -8.944 1.00 0.00 H new ATOM 0 HA THR A 74 -1.495 -6.651 -6.065 1.00 0.00 H new ATOM 0 HB THR A 74 -0.783 -9.039 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.384 -7.970 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.196 -9.450 -7.501 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.927 -8.473 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.492 -7.695 -7.536 1.00 0.00 H new ATOM 1097 N ALA A 75 0.916 -7.821 -5.817 1.00 0.00 N ATOM 1098 CA ALA A 75 2.291 -7.962 -5.395 1.00 0.00 C ATOM 1099 C ALA A 75 3.289 -8.110 -6.533 1.00 0.00 C ATOM 1100 O ALA A 75 4.340 -7.482 -6.464 1.00 0.00 O ATOM 1101 CB ALA A 75 2.395 -9.138 -4.428 1.00 0.00 C ATOM 0 H ALA A 75 0.292 -8.522 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 75 2.566 -7.029 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.429 -9.252 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.761 -8.953 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.069 -10.050 -4.928 1.00 0.00 H new ATOM 1107 N GLU A 76 3.006 -8.909 -7.564 1.00 0.00 N ATOM 1108 CA GLU A 76 3.930 -9.056 -8.697 1.00 0.00 C ATOM 1109 C GLU A 76 3.751 -7.920 -9.703 1.00 0.00 C ATOM 1110 O GLU A 76 4.537 -7.767 -10.635 1.00 0.00 O ATOM 1111 CB GLU A 76 3.731 -10.436 -9.333 1.00 0.00 C ATOM 1112 CG GLU A 76 4.836 -10.906 -10.291 1.00 0.00 C ATOM 1113 CD GLU A 76 4.801 -12.429 -10.490 1.00 0.00 C ATOM 1114 OE1 GLU A 76 3.709 -13.047 -10.471 1.00 0.00 O ATOM 1115 OE2 GLU A 76 5.883 -13.045 -10.634 1.00 0.00 O ATOM 0 H GLU A 76 2.152 -9.461 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 76 4.958 -8.989 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.635 -11.171 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.786 -10.430 -9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.719 -10.410 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.809 -10.612 -9.897 1.00 0.00 H new ATOM 1122 N HIS A 77 2.745 -7.071 -9.486 1.00 0.00 N ATOM 1123 CA HIS A 77 2.662 -5.799 -10.171 1.00 0.00 C ATOM 1124 C HIS A 77 3.561 -4.772 -9.463 1.00 0.00 C ATOM 1125 O HIS A 77 3.772 -3.682 -10.005 1.00 0.00 O ATOM 1126 CB HIS A 77 1.193 -5.377 -10.202 1.00 0.00 C ATOM 1127 CG HIS A 77 0.891 -4.215 -11.093 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.244 -2.918 -10.838 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.014 -4.207 -12.137 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.540 -2.134 -11.654 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.158 -2.876 -12.528 1.00 0.00 N ATOM 0 H HIS A 77 1.979 -7.251 -8.837 1.00 0.00 H new ATOM 0 HA HIS A 77 3.020 -5.872 -11.198 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.592 -6.228 -10.523 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.880 -5.130 -9.188 1.00 0.00 H new ATOM 0 HD1 HIS A 77 1.925 -2.606 -10.146 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.460 -5.070 -12.580 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.532 -1.055 -11.617 1.00 0.00 H new ATOM 1139 N ARG A 78 4.082 -5.063 -8.257 1.00 0.00 N ATOM 1140 CA ARG A 78 4.826 -4.092 -7.470 1.00 0.00 C ATOM 1141 C ARG A 78 6.265 -4.581 -7.282 1.00 0.00 C ATOM 1142 O ARG A 78 7.189 -3.990 -7.842 1.00 0.00 O ATOM 1143 CB ARG A 78 4.050 -3.747 -6.187 1.00 0.00 C ATOM 1144 CG ARG A 78 4.303 -2.340 -5.600 1.00 0.00 C ATOM 1145 CD ARG A 78 4.416 -1.179 -6.613 1.00 0.00 C ATOM 1146 NE ARG A 78 5.751 -1.024 -7.230 1.00 0.00 N ATOM 1147 CZ ARG A 78 6.021 -0.847 -8.535 1.00 0.00 C ATOM 1148 NH1 ARG A 78 5.064 -0.770 -9.447 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.273 -0.733 -8.941 1.00 0.00 N ATOM 0 H ARG A 78 3.994 -5.977 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 78 4.921 -3.139 -7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.984 -3.847 -6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.298 -4.487 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.494 -2.110 -4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.223 -2.374 -5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.681 -1.332 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.153 -0.249 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 78 6.552 -1.055 -6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.086 -0.845 -9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.305 -0.635 -10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.035 -0.779 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.478 -0.599 -9.931 1.00 0.00 H new ATOM 1163 N LEU A 79 6.462 -5.616 -6.467 1.00 0.00 N ATOM 1164 CA LEU A 79 7.704 -6.297 -6.182 1.00 0.00 C ATOM 1165 C LEU A 79 7.880 -7.458 -7.163 1.00 0.00 C ATOM 1166 O LEU A 79 7.109 -7.627 -8.103 1.00 0.00 O ATOM 1167 CB LEU A 79 7.702 -6.808 -4.716 1.00 0.00 C ATOM 1168 CG LEU A 79 6.557 -6.461 -3.756 1.00 0.00 C ATOM 1169 CD1 LEU A 79 6.849 -7.150 -2.413 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.455 -4.973 -3.442 1.00 0.00 C ATOM 0 H LEU A 79 5.685 -6.027 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 79 8.539 -5.607 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.764 -7.895 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.623 -6.454 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 79 5.633 -6.782 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.051 -6.922 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.905 -8.228 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.798 -6.788 -2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.624 -4.802 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.382 -4.634 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.286 -4.417 -4.364 1.00 0.00 H new ATOM 1182 N GLU A 80 8.852 -8.320 -6.876 1.00 0.00 N ATOM 1183 CA GLU A 80 9.048 -9.637 -7.477 1.00 0.00 C ATOM 1184 C GLU A 80 7.826 -10.575 -7.441 1.00 0.00 C ATOM 1185 O GLU A 80 7.887 -11.650 -8.032 1.00 0.00 O ATOM 1186 CB GLU A 80 10.223 -10.313 -6.745 1.00 0.00 C ATOM 1187 CG GLU A 80 9.768 -10.893 -5.392 1.00 0.00 C ATOM 1188 CD GLU A 80 10.933 -11.123 -4.439 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.765 -12.019 -4.694 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.060 -10.372 -3.441 1.00 0.00 O ATOM 0 H GLU A 80 9.565 -8.106 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 80 9.240 -9.467 -8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.634 -11.109 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.022 -9.589 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.053 -10.213 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.248 -11.836 -5.560 1.00 0.00 H new ATOM 1197 N GLY A 81 6.758 -10.233 -6.712 1.00 0.00 N ATOM 1198 CA GLY A 81 5.572 -11.052 -6.553 1.00 0.00 C ATOM 1199 C GLY A 81 5.565 -11.837 -5.263 1.00 0.00 C ATOM 1200 O GLY A 81 5.713 -13.056 -5.286 1.00 0.00 O ATOM 0 H GLY A 81 6.703 -9.350 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.689 -10.414 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.499 -11.743 -7.393 1.00 0.00 H new ATOM 1204 N ARG A 82 5.381 -11.149 -4.130 1.00 0.00 N ATOM 1205 CA ARG A 82 5.208 -11.801 -2.831 1.00 0.00 C ATOM 1206 C ARG A 82 4.164 -11.065 -1.995 1.00 0.00 C ATOM 1207 O ARG A 82 3.111 -11.619 -1.692 1.00 0.00 O ATOM 1208 CB ARG A 82 6.553 -11.931 -2.088 1.00 0.00 C ATOM 1209 CG ARG A 82 7.650 -12.652 -2.885 1.00 0.00 C ATOM 1210 CD ARG A 82 8.912 -12.889 -2.054 1.00 0.00 C ATOM 1211 NE ARG A 82 8.708 -13.990 -1.106 1.00 0.00 N ATOM 1212 CZ ARG A 82 9.656 -14.700 -0.497 1.00 0.00 C ATOM 1213 NH1 ARG A 82 10.926 -14.306 -0.517 1.00 0.00 N ATOM 1214 NH2 ARG A 82 9.291 -15.803 0.138 1.00 0.00 N ATOM 0 H ARG A 82 5.348 -10.130 -4.090 1.00 0.00 H new ATOM 0 HA ARG A 82 4.840 -12.813 -3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.907 -10.934 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.388 -12.467 -1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.268 -13.608 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.903 -12.062 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.749 -13.120 -2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.173 -11.980 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 82 7.742 -14.237 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.186 -13.448 -1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.640 -14.861 -0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.311 -16.084 0.150 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.990 -16.372 0.616 1.00 0.00 H new ATOM 1228 N PHE A 83 4.444 -9.819 -1.617 1.00 0.00 N ATOM 1229 CA PHE A 83 3.609 -8.984 -0.754 1.00 0.00 C ATOM 1230 C PHE A 83 3.508 -7.597 -1.394 1.00 0.00 C ATOM 1231 O PHE A 83 3.907 -7.411 -2.539 1.00 0.00 O ATOM 1232 CB PHE A 83 4.233 -8.911 0.654 1.00 0.00 C ATOM 1233 CG PHE A 83 4.335 -10.233 1.390 1.00 0.00 C ATOM 1234 CD1 PHE A 83 5.386 -11.119 1.095 1.00 0.00 C ATOM 1235 CD2 PHE A 83 3.386 -10.585 2.368 1.00 0.00 C ATOM 1236 CE1 PHE A 83 5.438 -12.383 1.703 1.00 0.00 C ATOM 1237 CE2 PHE A 83 3.494 -11.816 3.037 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.510 -12.719 2.696 1.00 0.00 C ATOM 0 H PHE A 83 5.295 -9.343 -1.916 1.00 0.00 H new ATOM 0 HA PHE A 83 2.609 -9.405 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.232 -8.484 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.643 -8.222 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.157 -10.826 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.576 -9.910 2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.193 -13.096 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.791 -12.067 3.817 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.577 -13.673 3.198 1.00 0.00 H new ATOM 1248 N THR A 84 2.986 -6.604 -0.691 1.00 0.00 N ATOM 1249 CA THR A 84 3.102 -5.186 -0.992 1.00 0.00 C ATOM 1250 C THR A 84 2.846 -4.457 0.333 1.00 0.00 C ATOM 1251 O THR A 84 2.192 -5.002 1.228 1.00 0.00 O ATOM 1252 CB THR A 84 2.125 -4.833 -2.132 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.754 -5.155 -3.348 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.727 -3.361 -2.235 1.00 0.00 C ATOM 0 H THR A 84 2.439 -6.776 0.153 1.00 0.00 H new ATOM 0 HA THR A 84 4.082 -4.884 -1.361 1.00 0.00 H new ATOM 0 HB THR A 84 1.215 -5.394 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.467 -5.807 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.039 -3.228 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.241 -3.050 -1.310 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.617 -2.754 -2.399 1.00 0.00 H new ATOM 1262 N VAL A 85 3.356 -3.234 0.474 1.00 0.00 N ATOM 1263 CA VAL A 85 3.151 -2.397 1.649 1.00 0.00 C ATOM 1264 C VAL A 85 2.477 -1.118 1.173 1.00 0.00 C ATOM 1265 O VAL A 85 2.702 -0.683 0.047 1.00 0.00 O ATOM 1266 CB VAL A 85 4.498 -2.123 2.341 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.337 -1.350 3.656 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.272 -3.415 2.616 1.00 0.00 C ATOM 0 H VAL A 85 3.934 -2.792 -0.241 1.00 0.00 H new ATOM 0 HA VAL A 85 2.518 -2.887 2.388 1.00 0.00 H new ATOM 0 HB VAL A 85 5.063 -1.506 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.317 -1.184 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.861 -0.390 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.718 -1.927 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.216 -3.176 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.681 -4.062 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.470 -3.928 1.675 1.00 0.00 H new ATOM 1278 N ILE A 86 1.675 -0.487 2.019 1.00 0.00 N ATOM 1279 CA ILE A 86 0.812 0.625 1.665 1.00 0.00 C ATOM 1280 C ILE A 86 0.963 1.668 2.737 1.00 0.00 C ATOM 1281 O ILE A 86 0.327 1.564 3.782 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.633 0.111 1.610 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.856 -0.814 0.389 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.662 1.257 1.542 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.747 -0.077 -0.962 1.00 0.00 C ATOM 0 H ILE A 86 1.607 -0.746 3.003 1.00 0.00 H new ATOM 0 HA ILE A 86 1.071 1.053 0.697 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.784 -0.447 2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.124 -1.621 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.841 -1.274 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.669 0.840 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.563 1.888 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.483 1.854 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.914 -0.783 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.497 0.713 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.247 0.360 -1.059 1.00 0.00 H new ATOM 1297 N ARG A 87 1.795 2.674 2.505 1.00 0.00 N ATOM 1298 CA ARG A 87 2.065 3.676 3.511 1.00 0.00 C ATOM 1299 C ARG A 87 1.191 4.844 3.131 1.00 0.00 C ATOM 1300 O ARG A 87 1.650 5.763 2.467 1.00 0.00 O ATOM 1301 CB ARG A 87 3.560 4.036 3.579 1.00 0.00 C ATOM 1302 CG ARG A 87 4.539 2.852 3.582 1.00 0.00 C ATOM 1303 CD ARG A 87 5.935 3.367 3.940 1.00 0.00 C ATOM 1304 NE ARG A 87 6.984 2.365 3.693 1.00 0.00 N ATOM 1305 CZ ARG A 87 8.126 2.210 4.373 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.391 2.922 5.461 1.00 0.00 N ATOM 1307 NH2 ARG A 87 9.011 1.326 3.943 1.00 0.00 N ATOM 0 H ARG A 87 2.292 2.813 1.625 1.00 0.00 H new ATOM 0 HA ARG A 87 1.837 3.325 4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.798 4.676 2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.731 4.625 4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.218 2.099 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.553 2.372 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.149 4.263 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.954 3.657 4.991 1.00 0.00 H new ATOM 0 HE ARG A 87 6.823 1.719 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.716 3.608 5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.270 2.783 5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.817 0.776 3.106 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.887 1.194 4.448 1.00 0.00 H new ATOM 1321 N ARG A 88 -0.090 4.802 3.490 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.934 5.969 3.326 1.00 0.00 C ATOM 1323 C ARG A 88 -0.582 6.880 4.498 1.00 0.00 C ATOM 1324 O ARG A 88 -0.816 6.512 5.650 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.419 5.572 3.292 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.347 6.807 3.331 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.332 7.664 2.049 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.123 9.115 2.282 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.907 10.116 1.836 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -5.153 9.931 1.434 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -3.442 11.354 1.798 1.00 0.00 N ATOM 0 H ARG A 88 -0.554 3.986 3.889 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.766 6.483 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.620 4.995 2.389 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.641 4.924 4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.368 6.472 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.059 7.434 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.544 7.297 1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.277 7.526 1.523 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.307 9.380 2.833 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.562 8.997 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.706 10.723 1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.490 11.551 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.036 12.112 1.460 1.00 0.00 H new ATOM 1345 N GLY A 89 -0.059 8.073 4.227 1.00 0.00 N ATOM 1346 CA GLY A 89 0.208 9.116 5.215 1.00 0.00 C ATOM 1347 C GLY A 89 -0.971 9.311 6.169 1.00 0.00 C ATOM 1348 O GLY A 89 -0.807 9.247 7.385 1.00 0.00 O ATOM 0 H GLY A 89 0.200 8.350 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.099 8.855 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.421 10.055 4.704 1.00 0.00 H new ATOM 1352 N LYS A 90 -2.181 9.457 5.623 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.438 9.594 6.362 1.00 0.00 C ATOM 1354 C LYS A 90 -3.823 8.375 7.225 1.00 0.00 C ATOM 1355 O LYS A 90 -4.883 8.412 7.843 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.551 9.964 5.357 1.00 0.00 C ATOM 1357 CG LYS A 90 -5.768 10.679 5.979 1.00 0.00 C ATOM 1358 CD LYS A 90 -7.128 10.129 5.512 1.00 0.00 C ATOM 1359 CE LYS A 90 -7.471 8.726 6.052 1.00 0.00 C ATOM 1360 NZ LYS A 90 -7.234 7.617 5.100 1.00 0.00 N ATOM 0 H LYS A 90 -2.317 9.484 4.612 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.300 10.388 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.126 10.605 4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.894 9.054 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.708 10.597 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.715 11.740 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.911 10.823 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.138 10.097 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.883 8.545 6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.520 8.713 6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.131 7.128 4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.849 7.998 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.555 6.945 5.512 1.00 0.00 H new ATOM 1374 N LYS A 91 -3.059 7.276 7.262 1.00 0.00 N ATOM 1375 CA LYS A 91 -3.197 6.258 8.302 1.00 0.00 C ATOM 1376 C LYS A 91 -1.831 5.652 8.593 1.00 0.00 C ATOM 1377 O LYS A 91 -1.110 6.227 9.401 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.317 5.241 7.990 1.00 0.00 C ATOM 1379 CG LYS A 91 -4.494 4.113 9.029 1.00 0.00 C ATOM 1380 CD LYS A 91 -4.736 4.520 10.495 1.00 0.00 C ATOM 1381 CE LYS A 91 -4.252 3.441 11.482 1.00 0.00 C ATOM 1382 NZ LYS A 91 -4.939 2.135 11.366 1.00 0.00 N ATOM 0 H LYS A 91 -2.333 7.071 6.575 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.539 6.720 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.260 5.780 7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.114 4.789 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.332 3.493 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.603 3.486 8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.219 5.457 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.800 4.702 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.183 3.287 11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -4.382 3.814 12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.352 1.394 11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.856 2.181 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.091 1.911 10.362 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.452 4.515 8.000 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.261 3.768 8.341 1.00 0.00 C ATOM 1398 C LYS A 92 0.199 2.963 7.131 1.00 0.00 C ATOM 1399 O LYS A 92 -0.171 3.291 6.002 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.558 2.896 9.574 1.00 0.00 C ATOM 1401 CG LYS A 92 0.632 2.815 10.537 1.00 0.00 C ATOM 1402 CD LYS A 92 0.798 4.076 11.404 1.00 0.00 C ATOM 1403 CE LYS A 92 1.557 5.261 10.781 1.00 0.00 C ATOM 1404 NZ LYS A 92 2.917 4.922 10.309 1.00 0.00 N ATOM 0 H LYS A 92 -1.990 4.085 7.247 1.00 0.00 H new ATOM 0 HA LYS A 92 0.561 4.434 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.421 3.301 10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.826 1.891 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.507 1.949 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.545 2.654 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.195 4.423 11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.312 3.790 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.979 5.649 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.628 6.062 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.604 5.584 10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.153 3.951 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.952 4.992 9.272 1.00 0.00 H new ATOM 1418 N TYR A 93 1.055 1.979 7.399 1.00 0.00 N ATOM 1419 CA TYR A 93 1.807 1.166 6.456 1.00 0.00 C ATOM 1420 C TYR A 93 1.225 -0.248 6.405 1.00 0.00 C ATOM 1421 O TYR A 93 1.785 -1.179 6.978 1.00 0.00 O ATOM 1422 CB TYR A 93 3.293 1.094 6.802 1.00 0.00 C ATOM 1423 CG TYR A 93 4.056 2.333 7.254 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.657 3.646 6.931 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.227 2.143 8.012 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.447 4.747 7.314 1.00 0.00 C ATOM 1427 CE2 TYR A 93 6.011 3.234 8.412 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.636 4.541 8.052 1.00 0.00 C ATOM 1429 OH TYR A 93 6.408 5.581 8.462 1.00 0.00 O ATOM 0 H TYR A 93 1.254 1.711 8.363 1.00 0.00 H new ATOM 0 HA TYR A 93 1.720 1.644 5.480 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.401 0.348 7.589 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.807 0.706 5.922 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.739 3.809 6.386 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.525 1.143 8.289 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.145 5.748 7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.904 3.071 8.997 1.00 0.00 H new ATOM 0 HH TYR A 93 7.182 5.239 8.956 1.00 0.00 H new ATOM 1439 N TYR A 94 0.091 -0.435 5.751 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.578 -1.714 5.818 1.00 0.00 C ATOM 1441 C TYR A 94 0.113 -2.699 4.890 1.00 0.00 C ATOM 1442 O TYR A 94 0.888 -2.313 4.012 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.009 -1.514 5.370 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.879 -0.809 6.381 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.011 0.592 6.354 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -3.633 -1.578 7.284 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.964 1.219 7.172 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.568 -0.955 8.119 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.751 0.440 8.054 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.692 1.024 8.843 1.00 0.00 O ATOM 0 H TYR A 94 -0.375 0.270 5.179 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.548 -2.107 6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.011 -0.941 4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.447 -2.486 5.145 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.381 1.183 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.491 -2.648 7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.096 2.290 7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.149 -1.544 8.813 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.137 0.338 9.383 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.204 -3.970 5.090 1.00 0.00 N ATOM 1461 CA LEU A 95 0.435 -5.101 4.444 1.00 0.00 C ATOM 1462 C LEU A 95 -0.599 -5.791 3.579 1.00 0.00 C ATOM 1463 O LEU A 95 -1.728 -6.012 4.002 1.00 0.00 O ATOM 1464 CB LEU A 95 1.002 -6.023 5.529 1.00 0.00 C ATOM 1465 CG LEU A 95 1.574 -7.375 5.059 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.582 -7.208 3.922 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.282 -8.061 6.236 1.00 0.00 C ATOM 0 H LEU A 95 -0.944 -4.250 5.734 1.00 0.00 H new ATOM 0 HA LEU A 95 1.263 -4.796 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.790 -5.485 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.212 -6.221 6.254 1.00 0.00 H new ATOM 0 HG LEU A 95 0.740 -7.975 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.959 -8.186 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.095 -6.731 3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.412 -6.587 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.688 -9.018 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.093 -7.426 6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.568 -8.227 7.043 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.213 -6.124 2.362 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.078 -6.690 1.347 1.00 0.00 C ATOM 1481 C ILE A 96 -0.375 -7.941 0.835 1.00 0.00 C ATOM 1482 O ILE A 96 0.822 -7.904 0.537 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.286 -5.645 0.227 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -1.855 -4.294 0.737 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.125 -6.208 -0.936 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.273 -4.347 1.319 1.00 0.00 C ATOM 0 H ILE A 96 0.748 -6.003 2.042 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.064 -6.952 1.731 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.289 -5.426 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.183 -3.903 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.847 -3.583 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.247 -5.441 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.618 -7.072 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.105 -6.510 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.570 -3.350 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.966 -4.702 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.292 -5.027 2.171 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.101 -9.045 0.714 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.665 -10.236 0.019 1.00 0.00 C ATOM 1500 C ARG A 97 -1.800 -10.850 -0.805 1.00 0.00 C ATOM 1501 O ARG A 97 -2.967 -10.444 -0.750 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.070 -11.224 1.038 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.741 -11.304 2.420 1.00 0.00 C ATOM 1504 CD ARG A 97 -0.375 -12.612 3.132 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.900 -12.667 4.508 1.00 0.00 N ATOM 1506 CZ ARG A 97 -0.257 -12.306 5.625 1.00 0.00 C ATOM 1507 NH1 ARG A 97 0.876 -11.614 5.540 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -0.745 -12.649 6.808 1.00 0.00 N ATOM 0 H ARG A 97 -2.037 -9.133 1.111 1.00 0.00 H new ATOM 0 HA ARG A 97 0.113 -9.976 -0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.092 -12.219 0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.978 -10.964 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.431 -10.455 3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.823 -11.237 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.767 -13.455 2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.709 -12.719 3.155 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.852 -13.016 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.251 -11.361 4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.369 -11.337 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.609 -13.187 6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -0.256 -12.375 7.660 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.450 -11.880 -1.562 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.375 -12.801 -2.150 1.00 0.00 C ATOM 1524 C TYR A 98 -2.137 -14.206 -1.606 1.00 0.00 C ATOM 1525 O TYR A 98 -1.077 -14.501 -1.047 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.301 -12.743 -3.677 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.975 -12.501 -4.377 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.256 -12.960 -3.858 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -1.009 -11.891 -5.645 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.434 -12.835 -4.610 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.159 -11.783 -6.411 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.378 -12.278 -5.904 1.00 0.00 C ATOM 1533 OH TYR A 98 2.497 -12.238 -6.663 1.00 0.00 O ATOM 0 H TYR A 98 -0.477 -12.093 -1.783 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.390 -12.515 -1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.696 -13.686 -4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.984 -11.958 -4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.291 -13.410 -2.877 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.941 -11.504 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.378 -13.163 -4.200 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.126 -11.322 -7.387 1.00 0.00 H new ATOM 0 HH TYR A 98 2.304 -12.605 -7.551 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.141 -15.055 -1.792 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.221 -16.450 -1.484 1.00 0.00 C ATOM 1545 C ALA A 99 -3.713 -17.185 -2.723 1.00 0.00 C ATOM 1546 O ALA A 99 -4.888 -17.538 -2.831 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.123 -16.677 -0.268 1.00 0.00 C ATOM 0 H ALA A 99 -4.011 -14.729 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.241 -16.844 -1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.174 -17.743 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.714 -16.147 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.124 -16.303 -0.483 1.00 0.00 H new