USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 536 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 24 ASN : amide:sc= -0.0712 X(o=-1.6,f=-1.7) USER MOD Set 1.2: A 28 ASN : amide:sc= -1.54 K(o=-1.6,f=-4.6!) USER MOD Single : A 16 THR OG1 : rot 80:sc= -1.18! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.331 F(o=-0.95,f=-0.33) USER MOD Single : A 34 HIS : no HD1:sc= -2.39 K(o=-2.4,f=-3.9!) USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= 0.19 (180deg=-0.244) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.24 K(o=-0.24,f=-5.8!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 1.25 (180deg=-0.313) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 51 HIS : no HD1:sc= -3.06 K(o=-3.1,f=-4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.000682 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0318) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.870 -3.826 -8.411 1.00 0.00 N ATOM 184 CA GLY A 13 -0.572 -4.551 -8.550 1.00 0.00 C ATOM 185 C GLY A 13 0.592 -3.556 -8.670 1.00 0.00 C ATOM 186 O GLY A 13 1.744 -3.941 -8.598 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.417 -5.199 -7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.600 -5.194 -9.430 1.00 0.00 H new ATOM 190 N GLY A 14 0.311 -2.284 -8.846 1.00 0.00 N ATOM 191 CA GLY A 14 1.411 -1.283 -8.961 1.00 0.00 C ATOM 192 C GLY A 14 1.729 -0.742 -7.572 1.00 0.00 C ATOM 193 O GLY A 14 2.874 -0.522 -7.222 1.00 0.00 O ATOM 0 H GLY A 14 -0.632 -1.901 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.297 -1.744 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.114 -0.470 -9.624 1.00 0.00 H new ATOM 197 N ILE A 15 0.714 -0.534 -6.779 1.00 0.00 N ATOM 198 CA ILE A 15 0.924 -0.010 -5.402 1.00 0.00 C ATOM 199 C ILE A 15 1.610 -1.083 -4.563 1.00 0.00 C ATOM 200 O ILE A 15 2.607 -0.836 -3.911 1.00 0.00 O ATOM 201 CB ILE A 15 -0.424 0.319 -4.753 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.301 1.144 -5.710 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.182 1.116 -3.473 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.715 0.562 -5.722 1.00 0.00 C ATOM 0 H ILE A 15 -0.260 -0.706 -7.029 1.00 0.00 H new ATOM 0 HA ILE A 15 1.536 0.891 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.941 -0.613 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.326 2.186 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.879 1.127 -6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.138 1.353 -3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.421 0.524 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.344 2.040 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.342 1.143 -6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.679 -0.474 -6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.133 0.602 -4.716 1.00 0.00 H new ATOM 216 N THR A 16 1.073 -2.277 -4.575 1.00 0.00 N ATOM 217 CA THR A 16 1.669 -3.385 -3.776 1.00 0.00 C ATOM 218 C THR A 16 3.115 -3.627 -4.222 1.00 0.00 C ATOM 219 O THR A 16 3.949 -4.048 -3.443 1.00 0.00 O ATOM 220 CB THR A 16 0.851 -4.663 -3.977 1.00 0.00 C ATOM 221 OG1 THR A 16 1.487 -5.739 -3.300 1.00 0.00 O ATOM 222 CG2 THR A 16 0.752 -4.988 -5.469 1.00 0.00 C ATOM 0 H THR A 16 0.242 -2.531 -5.108 1.00 0.00 H new ATOM 0 HA THR A 16 1.659 -3.110 -2.721 1.00 0.00 H new ATOM 0 HB THR A 16 -0.152 -4.516 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.271 -5.698 -2.345 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.169 -5.899 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.265 -4.164 -5.989 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.752 -5.134 -5.877 1.00 0.00 H new ATOM 230 N ASP A 17 3.413 -3.359 -5.468 1.00 0.00 N ATOM 231 CA ASP A 17 4.803 -3.567 -5.974 1.00 0.00 C ATOM 232 C ASP A 17 5.759 -2.645 -5.214 1.00 0.00 C ATOM 233 O ASP A 17 6.893 -2.994 -4.948 1.00 0.00 O ATOM 234 CB ASP A 17 4.859 -3.241 -7.468 1.00 0.00 C ATOM 235 CG ASP A 17 5.894 -4.138 -8.148 1.00 0.00 C ATOM 236 OD1 ASP A 17 7.049 -3.749 -8.192 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.513 -5.200 -8.614 1.00 0.00 O ATOM 0 H ASP A 17 2.751 -3.004 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 17 5.096 -4.606 -5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.879 -3.391 -7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.120 -2.193 -7.613 1.00 0.00 H new ATOM 242 N MET A 18 5.301 -1.471 -4.861 1.00 0.00 N ATOM 243 CA MET A 18 6.167 -0.515 -4.111 1.00 0.00 C ATOM 244 C MET A 18 6.016 -0.739 -2.601 1.00 0.00 C ATOM 245 O MET A 18 6.843 -0.306 -1.820 1.00 0.00 O ATOM 246 CB MET A 18 5.757 0.919 -4.455 1.00 0.00 C ATOM 247 CG MET A 18 5.981 1.171 -5.948 1.00 0.00 C ATOM 248 SD MET A 18 7.671 1.763 -6.212 1.00 0.00 S ATOM 249 CE MET A 18 7.340 3.521 -5.942 1.00 0.00 C ATOM 0 H MET A 18 4.360 -1.133 -5.062 1.00 0.00 H new ATOM 0 HA MET A 18 7.207 -0.680 -4.393 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.709 1.079 -4.202 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.339 1.626 -3.865 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.813 0.253 -6.512 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.265 1.906 -6.315 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.264 4.087 -6.058 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.607 3.869 -6.670 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.949 3.667 -4.935 1.00 0.00 H new ATOM 259 N LEU A 19 4.972 -1.419 -2.180 1.00 0.00 N ATOM 260 CA LEU A 19 4.776 -1.674 -0.725 1.00 0.00 C ATOM 261 C LEU A 19 5.511 -2.956 -0.356 1.00 0.00 C ATOM 262 O LEU A 19 6.067 -3.083 0.718 1.00 0.00 O ATOM 263 CB LEU A 19 3.282 -1.845 -0.432 1.00 0.00 C ATOM 264 CG LEU A 19 2.622 -0.469 -0.250 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.299 -0.424 -1.018 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.347 -0.224 1.236 1.00 0.00 C ATOM 0 H LEU A 19 4.250 -1.806 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 19 5.163 -0.837 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.802 -2.383 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.146 -2.445 0.468 1.00 0.00 H new ATOM 0 HG LEU A 19 3.292 0.301 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.835 0.553 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.487 -0.596 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.631 -1.197 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.879 0.752 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.680 -0.998 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.286 -0.251 1.789 1.00 0.00 H new ATOM 278 N VAL A 20 5.517 -3.902 -1.253 1.00 0.00 N ATOM 279 CA VAL A 20 6.210 -5.190 -0.993 1.00 0.00 C ATOM 280 C VAL A 20 7.716 -5.000 -1.198 1.00 0.00 C ATOM 281 O VAL A 20 8.525 -5.652 -0.565 1.00 0.00 O ATOM 282 CB VAL A 20 5.682 -6.241 -1.973 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.321 -7.592 -1.668 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.162 -6.356 -1.828 1.00 0.00 C ATOM 0 H VAL A 20 5.065 -3.835 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 20 6.025 -5.518 0.030 1.00 0.00 H new ATOM 0 HB VAL A 20 5.931 -5.942 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.944 -8.339 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.403 -7.514 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.073 -7.890 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.786 -7.104 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.915 -6.653 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.702 -5.392 -2.046 1.00 0.00 H new ATOM 294 N GLU A 21 8.094 -4.109 -2.080 1.00 0.00 N ATOM 295 CA GLU A 21 9.543 -3.867 -2.337 1.00 0.00 C ATOM 296 C GLU A 21 10.174 -3.174 -1.128 1.00 0.00 C ATOM 297 O GLU A 21 11.088 -3.695 -0.510 1.00 0.00 O ATOM 298 CB GLU A 21 9.700 -2.978 -3.572 1.00 0.00 C ATOM 299 CG GLU A 21 11.180 -2.876 -3.945 1.00 0.00 C ATOM 300 CD GLU A 21 11.311 -2.597 -5.443 1.00 0.00 C ATOM 301 OE1 GLU A 21 11.028 -1.480 -5.845 1.00 0.00 O ATOM 302 OE2 GLU A 21 11.694 -3.503 -6.164 1.00 0.00 O ATOM 0 H GLU A 21 7.457 -3.537 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 21 10.042 -4.821 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.132 -3.392 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.296 -1.986 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.656 -2.079 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.695 -3.803 -3.691 1.00 0.00 H new ATOM 309 N LEU A 22 9.696 -2.001 -0.782 1.00 0.00 N ATOM 310 CA LEU A 22 10.277 -1.280 0.387 1.00 0.00 C ATOM 311 C LEU A 22 10.047 -2.110 1.658 1.00 0.00 C ATOM 312 O LEU A 22 10.861 -2.121 2.559 1.00 0.00 O ATOM 313 CB LEU A 22 9.641 0.123 0.510 1.00 0.00 C ATOM 314 CG LEU A 22 8.219 0.046 1.090 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.288 0.077 2.624 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.400 1.240 0.592 1.00 0.00 C ATOM 0 H LEU A 22 8.934 -1.518 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 22 11.350 -1.149 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.262 0.751 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.610 0.597 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 22 7.745 -0.881 0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.280 0.022 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.871 -0.773 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.762 1.003 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.392 1.186 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.874 2.167 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.350 1.218 -0.497 1.00 0.00 H new ATOM 328 N ALA A 23 8.933 -2.807 1.726 1.00 0.00 N ATOM 329 CA ALA A 23 8.624 -3.647 2.929 1.00 0.00 C ATOM 330 C ALA A 23 9.812 -4.560 3.247 1.00 0.00 C ATOM 331 O ALA A 23 10.218 -4.688 4.386 1.00 0.00 O ATOM 332 CB ALA A 23 7.388 -4.504 2.650 1.00 0.00 C ATOM 0 H ALA A 23 8.222 -2.829 0.995 1.00 0.00 H new ATOM 0 HA ALA A 23 8.434 -2.994 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.164 -5.115 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.538 -3.857 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.580 -5.152 1.795 1.00 0.00 H new ATOM 338 N ASN A 24 10.384 -5.175 2.239 1.00 0.00 N ATOM 339 CA ASN A 24 11.563 -6.058 2.471 1.00 0.00 C ATOM 340 C ASN A 24 12.703 -5.193 3.015 1.00 0.00 C ATOM 341 O ASN A 24 13.459 -5.606 3.873 1.00 0.00 O ATOM 342 CB ASN A 24 11.985 -6.710 1.146 1.00 0.00 C ATOM 343 CG ASN A 24 12.132 -8.222 1.336 1.00 0.00 C ATOM 344 OD1 ASN A 24 13.208 -8.763 1.181 1.00 0.00 O ATOM 345 ND2 ASN A 24 11.087 -8.930 1.668 1.00 0.00 N ATOM 0 H ASN A 24 10.083 -5.101 1.267 1.00 0.00 H new ATOM 0 HA ASN A 24 11.317 -6.845 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.243 -6.502 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.928 -6.284 0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.174 -9.938 1.797 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.183 -8.475 1.798 1.00 0.00 H new ATOM 352 N PHE A 25 12.806 -3.984 2.527 1.00 0.00 N ATOM 353 CA PHE A 25 13.870 -3.057 3.010 1.00 0.00 C ATOM 354 C PHE A 25 13.651 -2.749 4.494 1.00 0.00 C ATOM 355 O PHE A 25 14.571 -2.380 5.197 1.00 0.00 O ATOM 356 CB PHE A 25 13.806 -1.757 2.209 1.00 0.00 C ATOM 357 CG PHE A 25 15.015 -0.909 2.516 1.00 0.00 C ATOM 358 CD1 PHE A 25 15.035 -0.110 3.666 1.00 0.00 C ATOM 359 CD2 PHE A 25 16.116 -0.921 1.653 1.00 0.00 C ATOM 360 CE1 PHE A 25 16.156 0.679 3.952 1.00 0.00 C ATOM 361 CE2 PHE A 25 17.238 -0.133 1.939 1.00 0.00 C ATOM 362 CZ PHE A 25 17.258 0.666 3.088 1.00 0.00 C ATOM 0 H PHE A 25 12.193 -3.597 1.809 1.00 0.00 H new ATOM 0 HA PHE A 25 14.846 -3.524 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.766 -1.978 1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.895 -1.211 2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.185 -0.102 4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.101 -1.538 0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.171 1.297 4.838 1.00 0.00 H new ATOM 0 HE2 PHE A 25 18.088 -0.142 1.273 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.124 1.273 3.308 1.00 0.00 H new ATOM 372 N GLU A 26 12.440 -2.898 4.977 1.00 0.00 N ATOM 373 CA GLU A 26 12.170 -2.612 6.419 1.00 0.00 C ATOM 374 C GLU A 26 12.678 -3.781 7.265 1.00 0.00 C ATOM 375 O GLU A 26 13.503 -3.609 8.142 1.00 0.00 O ATOM 376 CB GLU A 26 10.659 -2.425 6.662 1.00 0.00 C ATOM 377 CG GLU A 26 10.003 -1.617 5.527 1.00 0.00 C ATOM 378 CD GLU A 26 10.731 -0.282 5.324 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.893 -0.312 4.953 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.111 0.747 5.541 1.00 0.00 O ATOM 0 H GLU A 26 11.631 -3.204 4.436 1.00 0.00 H new ATOM 0 HA GLU A 26 12.685 -1.693 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.178 -3.400 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.502 -1.914 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.026 -2.194 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.955 -1.434 5.763 1.00 0.00 H new ATOM 387 N LYS A 27 12.191 -4.969 7.006 1.00 0.00 N ATOM 388 CA LYS A 27 12.642 -6.156 7.790 1.00 0.00 C ATOM 389 C LYS A 27 14.113 -6.442 7.485 1.00 0.00 C ATOM 390 O LYS A 27 14.886 -6.765 8.368 1.00 0.00 O ATOM 391 CB LYS A 27 11.796 -7.373 7.408 1.00 0.00 C ATOM 392 CG LYS A 27 11.651 -8.296 8.620 1.00 0.00 C ATOM 393 CD LYS A 27 12.985 -8.990 8.896 1.00 0.00 C ATOM 394 CE LYS A 27 12.727 -10.371 9.503 1.00 0.00 C ATOM 395 NZ LYS A 27 13.807 -10.695 10.476 1.00 0.00 N ATOM 0 H LYS A 27 11.499 -5.167 6.283 1.00 0.00 H new ATOM 0 HA LYS A 27 12.525 -5.952 8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.813 -7.052 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.264 -7.910 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.341 -7.721 9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.875 -9.038 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.554 -9.088 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.586 -8.388 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.758 -10.386 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.693 -11.125 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.632 -11.633 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.725 -10.697 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.819 -9.981 11.232 1.00 0.00 H new ATOM 409 N ASN A 28 14.509 -6.319 6.240 1.00 0.00 N ATOM 410 CA ASN A 28 15.936 -6.576 5.868 1.00 0.00 C ATOM 411 C ASN A 28 16.854 -5.644 6.669 1.00 0.00 C ATOM 412 O ASN A 28 18.007 -5.950 6.906 1.00 0.00 O ATOM 413 CB ASN A 28 16.129 -6.318 4.372 1.00 0.00 C ATOM 414 CG ASN A 28 15.474 -7.444 3.571 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.445 -7.961 3.957 1.00 0.00 O ATOM 416 ND2 ASN A 28 16.031 -7.849 2.463 1.00 0.00 N ATOM 0 H ASN A 28 13.903 -6.051 5.464 1.00 0.00 H new ATOM 0 HA ASN A 28 16.186 -7.613 6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.689 -5.359 4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.192 -6.260 4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.602 -8.599 1.921 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.895 -7.415 2.138 1.00 0.00 H new ATOM 423 N VAL A 29 16.342 -4.515 7.091 1.00 0.00 N ATOM 424 CA VAL A 29 17.167 -3.562 7.884 1.00 0.00 C ATOM 425 C VAL A 29 17.017 -3.916 9.372 1.00 0.00 C ATOM 426 O VAL A 29 16.133 -4.661 9.753 1.00 0.00 O ATOM 427 CB VAL A 29 16.682 -2.129 7.597 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.337 -1.127 8.557 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.057 -1.756 6.161 1.00 0.00 C ATOM 0 H VAL A 29 15.383 -4.214 6.918 1.00 0.00 H new ATOM 0 HA VAL A 29 18.221 -3.628 7.612 1.00 0.00 H new ATOM 0 HB VAL A 29 15.601 -2.092 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.979 -0.122 8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.079 -1.385 9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.420 -1.161 8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.718 -0.742 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.139 -1.809 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.582 -2.451 5.469 1.00 0.00 H new ATOM 439 N SER A 30 17.890 -3.409 10.205 1.00 0.00 N ATOM 440 CA SER A 30 17.822 -3.736 11.662 1.00 0.00 C ATOM 441 C SER A 30 16.708 -2.939 12.351 1.00 0.00 C ATOM 442 O SER A 30 15.712 -3.496 12.774 1.00 0.00 O ATOM 443 CB SER A 30 19.167 -3.405 12.315 1.00 0.00 C ATOM 444 OG SER A 30 19.507 -4.435 13.234 1.00 0.00 O ATOM 0 H SER A 30 18.649 -2.781 9.939 1.00 0.00 H new ATOM 0 HA SER A 30 17.603 -4.798 11.772 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.941 -3.311 11.553 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.108 -2.446 12.830 1.00 0.00 H new ATOM 0 HG SER A 30 20.368 -4.228 13.653 1.00 0.00 H new ATOM 450 N GLN A 31 16.878 -1.648 12.488 1.00 0.00 N ATOM 451 CA GLN A 31 15.841 -0.820 13.177 1.00 0.00 C ATOM 452 C GLN A 31 14.746 -0.399 12.188 1.00 0.00 C ATOM 453 O GLN A 31 14.533 0.775 11.944 1.00 0.00 O ATOM 454 CB GLN A 31 16.507 0.425 13.771 1.00 0.00 C ATOM 455 CG GLN A 31 17.441 0.011 14.910 1.00 0.00 C ATOM 456 CD GLN A 31 16.610 -0.406 16.126 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.189 -1.638 16.221 1.00 0.00 O flip ATOM 458 NE2 GLN A 31 16.342 0.396 16.998 1.00 0.00 N flip ATOM 0 H GLN A 31 17.691 -1.131 12.152 1.00 0.00 H new ATOM 0 HA GLN A 31 15.382 -1.410 13.971 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.068 0.953 13.000 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.748 1.114 14.141 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.077 -0.814 14.591 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.100 0.838 15.173 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.671 1.359 16.924 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.788 0.107 17.804 1.00 0.00 H new ATOM 467 N ALA A 32 14.040 -1.350 11.624 1.00 0.00 N ATOM 468 CA ALA A 32 12.951 -1.002 10.664 1.00 0.00 C ATOM 469 C ALA A 32 11.862 -2.079 10.705 1.00 0.00 C ATOM 470 O ALA A 32 11.405 -2.554 9.681 1.00 0.00 O ATOM 471 CB ALA A 32 13.529 -0.897 9.252 1.00 0.00 C ATOM 0 H ALA A 32 14.172 -2.348 11.788 1.00 0.00 H new ATOM 0 HA ALA A 32 12.513 -0.044 10.944 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.734 -0.643 8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.294 -0.121 9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.971 -1.852 8.968 1.00 0.00 H new ATOM 477 N ILE A 33 11.439 -2.462 11.883 1.00 0.00 N ATOM 478 CA ILE A 33 10.376 -3.501 12.002 1.00 0.00 C ATOM 479 C ILE A 33 9.008 -2.815 12.175 1.00 0.00 C ATOM 480 O ILE A 33 7.991 -3.347 11.785 1.00 0.00 O ATOM 481 CB ILE A 33 10.740 -4.459 13.182 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.837 -5.902 12.664 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.715 -4.410 14.327 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.883 -5.995 11.548 1.00 0.00 C ATOM 0 H ILE A 33 11.787 -2.097 12.770 1.00 0.00 H new ATOM 0 HA ILE A 33 10.310 -4.108 11.099 1.00 0.00 H new ATOM 0 HB ILE A 33 11.697 -4.122 13.580 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.106 -6.572 13.481 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.866 -6.228 12.291 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.020 -5.095 15.118 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.663 -3.397 14.725 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.735 -4.703 13.951 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.942 -7.023 11.189 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.597 -5.340 10.725 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.855 -5.689 11.934 1.00 0.00 H new ATOM 496 N HIS A 34 8.986 -1.641 12.747 1.00 0.00 N ATOM 497 CA HIS A 34 7.682 -0.917 12.928 1.00 0.00 C ATOM 498 C HIS A 34 7.113 -0.582 11.547 1.00 0.00 C ATOM 499 O HIS A 34 5.956 -0.841 11.257 1.00 0.00 O ATOM 500 CB HIS A 34 7.865 0.383 13.744 1.00 0.00 C ATOM 501 CG HIS A 34 9.167 1.063 13.400 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.344 0.765 14.067 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.500 2.005 12.458 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.320 1.508 13.523 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.861 2.285 12.537 1.00 0.00 N ATOM 0 H HIS A 34 9.808 -1.149 13.097 1.00 0.00 H new ATOM 0 HA HIS A 34 6.997 -1.561 13.479 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.034 1.060 13.546 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.842 0.153 14.809 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.811 2.459 11.762 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.351 1.481 13.843 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.393 2.941 11.966 1.00 0.00 H new ATOM 513 N LYS A 35 7.926 -0.025 10.689 1.00 0.00 N ATOM 514 CA LYS A 35 7.455 0.318 9.317 1.00 0.00 C ATOM 515 C LYS A 35 7.214 -0.973 8.525 1.00 0.00 C ATOM 516 O LYS A 35 6.419 -1.005 7.608 1.00 0.00 O ATOM 517 CB LYS A 35 8.512 1.170 8.606 1.00 0.00 C ATOM 518 CG LYS A 35 9.888 0.491 8.691 1.00 0.00 C ATOM 519 CD LYS A 35 10.923 1.474 9.247 1.00 0.00 C ATOM 520 CE LYS A 35 11.101 2.641 8.275 1.00 0.00 C ATOM 521 NZ LYS A 35 12.146 2.295 7.269 1.00 0.00 N ATOM 0 H LYS A 35 8.900 0.208 10.881 1.00 0.00 H new ATOM 0 HA LYS A 35 6.525 0.883 9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.233 1.312 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.558 2.159 9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.830 -0.389 9.331 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.195 0.147 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.600 1.845 10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.876 0.966 9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.157 2.859 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.388 3.541 8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.628 3.162 6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.839 1.648 7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.701 1.833 6.451 1.00 0.00 H new ATOM 535 N TYR A 36 7.891 -2.043 8.880 1.00 0.00 N ATOM 536 CA TYR A 36 7.705 -3.344 8.161 1.00 0.00 C ATOM 537 C TYR A 36 6.211 -3.704 8.114 1.00 0.00 C ATOM 538 O TYR A 36 5.626 -3.818 7.053 1.00 0.00 O ATOM 539 CB TYR A 36 8.484 -4.435 8.907 1.00 0.00 C ATOM 540 CG TYR A 36 8.350 -5.761 8.196 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.620 -5.860 6.828 1.00 0.00 C ATOM 542 CD2 TYR A 36 7.955 -6.895 8.916 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.496 -7.092 6.178 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.831 -8.127 8.268 1.00 0.00 C ATOM 545 CZ TYR A 36 8.101 -8.227 6.898 1.00 0.00 C ATOM 546 OH TYR A 36 7.980 -9.443 6.256 1.00 0.00 O ATOM 0 H TYR A 36 8.568 -2.069 9.642 1.00 0.00 H new ATOM 0 HA TYR A 36 8.076 -3.260 7.140 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.536 -4.157 8.975 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.111 -4.523 9.927 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.924 -4.985 6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.746 -6.818 9.973 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.705 -7.168 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.527 -9.002 8.824 1.00 0.00 H new ATOM 0 HH TYR A 36 7.699 -10.126 6.900 1.00 0.00 H new ATOM 556 N ASN A 37 5.593 -3.867 9.257 1.00 0.00 N ATOM 557 CA ASN A 37 4.137 -4.203 9.293 1.00 0.00 C ATOM 558 C ASN A 37 3.340 -3.104 8.579 1.00 0.00 C ATOM 559 O ASN A 37 2.273 -3.345 8.047 1.00 0.00 O ATOM 560 CB ASN A 37 3.674 -4.306 10.747 1.00 0.00 C ATOM 561 CG ASN A 37 4.509 -5.360 11.475 1.00 0.00 C ATOM 562 OD1 ASN A 37 5.719 -5.371 11.373 1.00 0.00 O ATOM 563 ND2 ASN A 37 3.910 -6.255 12.214 1.00 0.00 N ATOM 0 H ASN A 37 6.037 -3.781 10.171 1.00 0.00 H new ATOM 0 HA ASN A 37 3.972 -5.156 8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.777 -3.340 11.242 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.618 -4.573 10.785 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.458 -6.962 12.704 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.894 -6.247 12.301 1.00 0.00 H new ATOM 570 N ALA A 38 3.860 -1.898 8.555 1.00 0.00 N ATOM 571 CA ALA A 38 3.149 -0.773 7.868 1.00 0.00 C ATOM 572 C ALA A 38 2.891 -1.141 6.401 1.00 0.00 C ATOM 573 O ALA A 38 1.760 -1.277 5.974 1.00 0.00 O ATOM 574 CB ALA A 38 4.028 0.479 7.921 1.00 0.00 C ATOM 0 H ALA A 38 4.750 -1.645 8.984 1.00 0.00 H new ATOM 0 HA ALA A 38 2.198 -0.586 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.518 1.303 7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.219 0.746 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.974 0.281 7.418 1.00 0.00 H new ATOM 580 N TYR A 39 3.937 -1.292 5.633 1.00 0.00 N ATOM 581 CA TYR A 39 3.773 -1.636 4.191 1.00 0.00 C ATOM 582 C TYR A 39 3.417 -3.119 4.041 1.00 0.00 C ATOM 583 O TYR A 39 2.795 -3.516 3.075 1.00 0.00 O ATOM 584 CB TYR A 39 5.079 -1.345 3.447 1.00 0.00 C ATOM 585 CG TYR A 39 5.485 0.093 3.681 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.260 0.428 4.797 1.00 0.00 C ATOM 587 CD2 TYR A 39 5.089 1.088 2.781 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.640 1.758 5.014 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.469 2.418 2.997 1.00 0.00 C ATOM 590 CZ TYR A 39 6.244 2.753 4.114 1.00 0.00 C ATOM 591 OH TYR A 39 6.616 4.065 4.326 1.00 0.00 O ATOM 0 H TYR A 39 4.903 -1.191 5.945 1.00 0.00 H new ATOM 0 HA TYR A 39 2.968 -1.034 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.864 -2.017 3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.951 -1.529 2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.565 -0.340 5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.490 0.830 1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.238 2.015 5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.164 3.186 2.302 1.00 0.00 H new ATOM 0 HH TYR A 39 6.259 4.627 3.607 1.00 0.00 H new ATOM 601 N ARG A 40 3.806 -3.937 4.987 1.00 0.00 N ATOM 602 CA ARG A 40 3.488 -5.394 4.896 1.00 0.00 C ATOM 603 C ARG A 40 1.970 -5.589 4.941 1.00 0.00 C ATOM 604 O ARG A 40 1.396 -6.244 4.091 1.00 0.00 O ATOM 605 CB ARG A 40 4.131 -6.131 6.073 1.00 0.00 C ATOM 606 CG ARG A 40 4.062 -7.640 5.829 1.00 0.00 C ATOM 607 CD ARG A 40 5.040 -8.023 4.716 1.00 0.00 C ATOM 608 NE ARG A 40 5.198 -9.510 4.681 1.00 0.00 N ATOM 609 CZ ARG A 40 5.712 -10.122 3.632 1.00 0.00 C ATOM 610 NH1 ARG A 40 6.108 -9.456 2.572 1.00 0.00 N ATOM 611 NH2 ARG A 40 5.829 -11.422 3.648 1.00 0.00 N ATOM 0 H ARG A 40 4.329 -3.659 5.817 1.00 0.00 H new ATOM 0 HA ARG A 40 3.878 -5.793 3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.169 -5.818 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.616 -5.878 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.307 -8.179 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.048 -7.928 5.552 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.673 -7.663 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.006 -7.548 4.887 1.00 0.00 H new ATOM 0 HE ARG A 40 4.902 -10.062 5.486 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.022 -8.440 2.546 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.502 -9.955 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.525 -11.951 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.225 -11.908 2.844 1.00 0.00 H new ATOM 625 N LYS A 41 1.320 -5.024 5.927 1.00 0.00 N ATOM 626 CA LYS A 41 -0.160 -5.172 6.038 1.00 0.00 C ATOM 627 C LYS A 41 -0.837 -4.473 4.857 1.00 0.00 C ATOM 628 O LYS A 41 -1.733 -5.013 4.236 1.00 0.00 O ATOM 629 CB LYS A 41 -0.640 -4.538 7.345 1.00 0.00 C ATOM 630 CG LYS A 41 0.092 -5.182 8.526 1.00 0.00 C ATOM 631 CD LYS A 41 -0.649 -6.448 8.956 1.00 0.00 C ATOM 632 CE LYS A 41 -1.928 -6.063 9.702 1.00 0.00 C ATOM 633 NZ LYS A 41 -2.540 -7.283 10.303 1.00 0.00 N ATOM 0 H LYS A 41 1.754 -4.465 6.662 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.418 -6.231 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.454 -3.464 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.716 -4.673 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.116 -5.426 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.149 -4.481 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.893 -7.053 8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.010 -7.056 9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.702 -5.335 10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.632 -5.589 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.409 -7.021 10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.769 -7.963 9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.868 -7.717 10.968 1.00 0.00 H new ATOM 647 N ALA A 42 -0.413 -3.274 4.544 1.00 0.00 N ATOM 648 CA ALA A 42 -1.027 -2.531 3.404 1.00 0.00 C ATOM 649 C ALA A 42 -0.779 -3.292 2.101 1.00 0.00 C ATOM 650 O ALA A 42 -1.622 -3.333 1.226 1.00 0.00 O ATOM 651 CB ALA A 42 -0.400 -1.139 3.307 1.00 0.00 C ATOM 0 H ALA A 42 0.334 -2.778 5.031 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.100 -2.438 3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.848 -0.596 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.578 -0.594 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.673 -1.234 3.143 1.00 0.00 H new ATOM 657 N ALA A 43 0.375 -3.893 1.968 1.00 0.00 N ATOM 658 CA ALA A 43 0.693 -4.652 0.723 1.00 0.00 C ATOM 659 C ALA A 43 -0.254 -5.849 0.585 1.00 0.00 C ATOM 660 O ALA A 43 -0.498 -6.326 -0.506 1.00 0.00 O ATOM 661 CB ALA A 43 2.137 -5.154 0.790 1.00 0.00 C ATOM 0 H ALA A 43 1.114 -3.890 2.672 1.00 0.00 H new ATOM 0 HA ALA A 43 0.570 -3.996 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.372 -5.709 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.814 -4.304 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.255 -5.807 1.655 1.00 0.00 H new ATOM 667 N SER A 44 -0.780 -6.339 1.679 1.00 0.00 N ATOM 668 CA SER A 44 -1.705 -7.511 1.610 1.00 0.00 C ATOM 669 C SER A 44 -3.137 -7.034 1.354 1.00 0.00 C ATOM 670 O SER A 44 -3.812 -7.522 0.467 1.00 0.00 O ATOM 671 CB SER A 44 -1.654 -8.277 2.933 1.00 0.00 C ATOM 672 OG SER A 44 -1.861 -9.660 2.682 1.00 0.00 O ATOM 0 H SER A 44 -0.609 -5.978 2.617 1.00 0.00 H new ATOM 0 HA SER A 44 -1.394 -8.164 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.690 -8.124 3.418 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.417 -7.901 3.614 1.00 0.00 H new ATOM 0 HG SER A 44 -1.827 -10.155 3.527 1.00 0.00 H new ATOM 678 N VAL A 45 -3.607 -6.093 2.131 1.00 0.00 N ATOM 679 CA VAL A 45 -4.999 -5.584 1.950 1.00 0.00 C ATOM 680 C VAL A 45 -5.142 -4.934 0.567 1.00 0.00 C ATOM 681 O VAL A 45 -6.192 -4.996 -0.044 1.00 0.00 O ATOM 682 CB VAL A 45 -5.306 -4.559 3.053 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.304 -3.403 2.975 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.737 -4.016 2.894 1.00 0.00 C ATOM 0 H VAL A 45 -3.083 -5.653 2.887 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.705 -6.412 2.019 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.221 -5.049 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.524 -2.677 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.293 -3.788 3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.381 -2.920 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.941 -3.291 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.837 -3.533 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.448 -4.839 2.965 1.00 0.00 H new ATOM 694 N ILE A 46 -4.104 -4.306 0.080 1.00 0.00 N ATOM 695 CA ILE A 46 -4.184 -3.644 -1.257 1.00 0.00 C ATOM 696 C ILE A 46 -3.932 -4.673 -2.364 1.00 0.00 C ATOM 697 O ILE A 46 -4.600 -4.672 -3.382 1.00 0.00 O ATOM 698 CB ILE A 46 -3.139 -2.525 -1.332 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.375 -1.541 -0.181 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.267 -1.785 -2.665 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.231 -0.526 -0.131 1.00 0.00 C ATOM 0 H ILE A 46 -3.203 -4.223 0.551 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.178 -3.219 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.140 -2.955 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.326 -1.026 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.438 -2.080 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.522 -0.991 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.106 -2.484 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.264 -1.353 -2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.400 0.173 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.288 -1.049 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.189 0.022 -1.073 1.00 0.00 H new ATOM 713 N ALA A 47 -2.977 -5.548 -2.175 1.00 0.00 N ATOM 714 CA ALA A 47 -2.682 -6.578 -3.217 1.00 0.00 C ATOM 715 C ALA A 47 -3.699 -7.725 -3.136 1.00 0.00 C ATOM 716 O ALA A 47 -3.841 -8.495 -4.069 1.00 0.00 O ATOM 717 CB ALA A 47 -1.274 -7.134 -3.001 1.00 0.00 C ATOM 0 H ALA A 47 -2.388 -5.594 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.749 -6.113 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.059 -7.885 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.548 -6.325 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.210 -7.589 -2.013 1.00 0.00 H new ATOM 723 N LYS A 48 -4.404 -7.850 -2.036 1.00 0.00 N ATOM 724 CA LYS A 48 -5.406 -8.951 -1.908 1.00 0.00 C ATOM 725 C LYS A 48 -6.823 -8.373 -1.975 1.00 0.00 C ATOM 726 O LYS A 48 -7.767 -8.971 -1.491 1.00 0.00 O ATOM 727 CB LYS A 48 -5.207 -9.665 -0.567 1.00 0.00 C ATOM 728 CG LYS A 48 -5.615 -11.140 -0.696 1.00 0.00 C ATOM 729 CD LYS A 48 -6.937 -11.382 0.045 1.00 0.00 C ATOM 730 CE LYS A 48 -7.811 -12.346 -0.761 1.00 0.00 C ATOM 731 NZ LYS A 48 -8.373 -11.634 -1.944 1.00 0.00 N ATOM 0 H LYS A 48 -4.328 -7.237 -1.224 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.270 -9.660 -2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.164 -9.593 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.803 -9.180 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.723 -11.406 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.835 -11.780 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.740 -11.795 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.461 -10.437 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.222 -13.204 -1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.618 -12.731 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.400 -11.792 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.183 -10.615 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.929 -11.997 -2.811 1.00 0.00 H new ATOM 745 N TYR A 49 -6.981 -7.217 -2.573 1.00 0.00 N ATOM 746 CA TYR A 49 -8.334 -6.600 -2.677 1.00 0.00 C ATOM 747 C TYR A 49 -8.958 -6.981 -4.030 1.00 0.00 C ATOM 748 O TYR A 49 -8.250 -7.083 -5.012 1.00 0.00 O ATOM 749 CB TYR A 49 -8.192 -5.074 -2.584 1.00 0.00 C ATOM 750 CG TYR A 49 -9.466 -4.452 -2.048 1.00 0.00 C ATOM 751 CD1 TYR A 49 -10.078 -4.972 -0.901 1.00 0.00 C ATOM 752 CD2 TYR A 49 -10.027 -3.343 -2.695 1.00 0.00 C ATOM 753 CE1 TYR A 49 -11.250 -4.390 -0.405 1.00 0.00 C ATOM 754 CE2 TYR A 49 -11.197 -2.759 -2.196 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.809 -3.283 -1.052 1.00 0.00 C ATOM 756 OH TYR A 49 -12.963 -2.707 -0.560 1.00 0.00 O ATOM 0 H TYR A 49 -6.226 -6.675 -2.994 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.974 -6.958 -1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.355 -4.820 -1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.967 -4.664 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.645 -5.824 -0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.556 -2.939 -3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.723 -4.796 0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.628 -1.903 -2.694 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.217 -1.948 -1.126 1.00 0.00 H new ATOM 766 N PRO A 50 -10.265 -7.179 -4.064 1.00 0.00 N ATOM 767 CA PRO A 50 -11.003 -7.548 -5.310 1.00 0.00 C ATOM 768 C PRO A 50 -11.398 -6.296 -6.101 1.00 0.00 C ATOM 769 O PRO A 50 -12.092 -6.387 -7.098 1.00 0.00 O ATOM 770 CB PRO A 50 -12.241 -8.263 -4.788 1.00 0.00 C ATOM 771 CG PRO A 50 -12.483 -7.772 -3.371 1.00 0.00 C ATOM 772 CD PRO A 50 -11.210 -7.067 -2.894 1.00 0.00 C ATOM 0 HA PRO A 50 -10.409 -8.159 -5.990 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.103 -8.050 -5.421 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.095 -9.343 -4.801 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.331 -7.088 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.726 -8.607 -2.714 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.404 -6.026 -2.637 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.800 -7.544 -2.004 1.00 0.00 H new ATOM 780 N HIS A 51 -10.977 -5.129 -5.667 1.00 0.00 N ATOM 781 CA HIS A 51 -11.350 -3.884 -6.405 1.00 0.00 C ATOM 782 C HIS A 51 -10.208 -2.870 -6.305 1.00 0.00 C ATOM 783 O HIS A 51 -9.155 -3.162 -5.772 1.00 0.00 O ATOM 784 CB HIS A 51 -12.628 -3.289 -5.796 1.00 0.00 C ATOM 785 CG HIS A 51 -13.657 -4.377 -5.616 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.306 -4.965 -6.690 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.136 -5.009 -4.496 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.129 -5.910 -6.197 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.066 -5.976 -4.866 1.00 0.00 N ATOM 0 H HIS A 51 -10.396 -4.988 -4.840 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.529 -4.122 -7.453 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.403 -2.825 -4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.021 -2.506 -6.444 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.837 -4.789 -3.482 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.763 -6.538 -6.805 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.588 -6.601 -4.251 1.00 0.00 H new ATOM 797 N LYS A 52 -10.409 -1.684 -6.821 1.00 0.00 N ATOM 798 CA LYS A 52 -9.338 -0.646 -6.765 1.00 0.00 C ATOM 799 C LYS A 52 -9.693 0.404 -5.710 1.00 0.00 C ATOM 800 O LYS A 52 -10.836 0.537 -5.316 1.00 0.00 O ATOM 801 CB LYS A 52 -9.211 0.029 -8.133 1.00 0.00 C ATOM 802 CG LYS A 52 -8.505 -0.917 -9.105 1.00 0.00 C ATOM 803 CD LYS A 52 -8.924 -0.582 -10.539 1.00 0.00 C ATOM 804 CE LYS A 52 -8.143 0.641 -11.025 1.00 0.00 C ATOM 805 NZ LYS A 52 -6.805 0.211 -11.522 1.00 0.00 N ATOM 0 H LYS A 52 -11.271 -1.390 -7.280 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.391 -1.118 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.198 0.290 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.649 0.959 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.424 -0.824 -8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.760 -1.951 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.733 -1.433 -11.193 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.995 -0.383 -10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.693 1.145 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.028 1.359 -10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.274 1.042 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.281 -0.251 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.926 -0.458 -12.309 1.00 0.00 H new ATOM 819 N ILE A 53 -8.718 1.148 -5.256 1.00 0.00 N ATOM 820 CA ILE A 53 -8.984 2.195 -4.226 1.00 0.00 C ATOM 821 C ILE A 53 -9.034 3.567 -4.904 1.00 0.00 C ATOM 822 O ILE A 53 -8.167 3.914 -5.684 1.00 0.00 O ATOM 823 CB ILE A 53 -7.866 2.180 -3.181 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.694 0.760 -2.636 1.00 0.00 C ATOM 825 CG2 ILE A 53 -8.229 3.122 -2.032 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.406 0.679 -1.815 1.00 0.00 C ATOM 0 H ILE A 53 -7.746 1.075 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.937 1.994 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.935 2.509 -3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.550 0.491 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.659 0.046 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.433 3.111 -1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.353 4.134 -2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.160 2.792 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.285 -0.333 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.555 0.930 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.460 1.382 -0.984 1.00 0.00 H new ATOM 838 N LYS A 54 -10.046 4.345 -4.615 1.00 0.00 N ATOM 839 CA LYS A 54 -10.164 5.694 -5.243 1.00 0.00 C ATOM 840 C LYS A 54 -9.214 6.672 -4.548 1.00 0.00 C ATOM 841 O LYS A 54 -8.277 7.168 -5.145 1.00 0.00 O ATOM 842 CB LYS A 54 -11.603 6.198 -5.105 1.00 0.00 C ATOM 843 CG LYS A 54 -12.494 5.485 -6.124 1.00 0.00 C ATOM 844 CD LYS A 54 -13.962 5.784 -5.819 1.00 0.00 C ATOM 845 CE LYS A 54 -14.842 4.677 -6.401 1.00 0.00 C ATOM 846 NZ LYS A 54 -16.050 4.500 -5.546 1.00 0.00 N ATOM 0 H LYS A 54 -10.797 4.103 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.901 5.623 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.969 6.014 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.639 7.275 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.247 5.816 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.316 4.410 -6.089 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.113 5.854 -4.742 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.243 6.748 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.138 4.931 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.282 3.743 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.648 3.747 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.758 4.240 -4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.588 5.390 -5.516 1.00 0.00 H new ATOM 860 N SER A 55 -9.453 6.955 -3.292 1.00 0.00 N ATOM 861 CA SER A 55 -8.569 7.903 -2.552 1.00 0.00 C ATOM 862 C SER A 55 -7.831 7.156 -1.440 1.00 0.00 C ATOM 863 O SER A 55 -8.070 5.986 -1.202 1.00 0.00 O ATOM 864 CB SER A 55 -9.419 9.017 -1.940 1.00 0.00 C ATOM 865 OG SER A 55 -10.648 8.471 -1.477 1.00 0.00 O ATOM 0 H SER A 55 -10.224 6.569 -2.747 1.00 0.00 H new ATOM 0 HA SER A 55 -7.843 8.334 -3.241 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.883 9.487 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.609 9.794 -2.681 1.00 0.00 H new ATOM 0 HG SER A 55 -11.194 9.183 -1.083 1.00 0.00 H new ATOM 871 N GLY A 56 -6.936 7.826 -0.759 1.00 0.00 N ATOM 872 CA GLY A 56 -6.174 7.166 0.343 1.00 0.00 C ATOM 873 C GLY A 56 -7.142 6.734 1.445 1.00 0.00 C ATOM 874 O GLY A 56 -6.930 5.737 2.110 1.00 0.00 O ATOM 0 H GLY A 56 -6.700 8.805 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.634 6.301 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.430 7.852 0.747 1.00 0.00 H new ATOM 878 N ALA A 57 -8.201 7.477 1.642 1.00 0.00 N ATOM 879 CA ALA A 57 -9.191 7.117 2.700 1.00 0.00 C ATOM 880 C ALA A 57 -9.814 5.759 2.369 1.00 0.00 C ATOM 881 O ALA A 57 -10.124 4.977 3.248 1.00 0.00 O ATOM 882 CB ALA A 57 -10.288 8.181 2.757 1.00 0.00 C ATOM 0 H ALA A 57 -8.423 8.321 1.113 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.689 7.063 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.010 7.918 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.844 9.149 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.792 8.236 1.792 1.00 0.00 H new ATOM 888 N GLU A 58 -9.992 5.475 1.104 1.00 0.00 N ATOM 889 CA GLU A 58 -10.589 4.168 0.700 1.00 0.00 C ATOM 890 C GLU A 58 -9.624 3.028 1.050 1.00 0.00 C ATOM 891 O GLU A 58 -10.033 1.893 1.209 1.00 0.00 O ATOM 892 CB GLU A 58 -10.850 4.172 -0.809 1.00 0.00 C ATOM 893 CG GLU A 58 -12.309 4.553 -1.079 1.00 0.00 C ATOM 894 CD GLU A 58 -12.829 3.771 -2.288 1.00 0.00 C ATOM 895 OE1 GLU A 58 -12.765 2.553 -2.252 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.280 4.404 -3.228 1.00 0.00 O ATOM 0 H GLU A 58 -9.748 6.095 0.331 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.529 4.020 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.182 4.879 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.637 3.188 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.920 4.336 -0.203 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.387 5.624 -1.265 1.00 0.00 H new ATOM 903 N ALA A 59 -8.352 3.319 1.170 1.00 0.00 N ATOM 904 CA ALA A 59 -7.363 2.254 1.508 1.00 0.00 C ATOM 905 C ALA A 59 -7.311 2.062 3.027 1.00 0.00 C ATOM 906 O ALA A 59 -7.014 0.987 3.513 1.00 0.00 O ATOM 907 CB ALA A 59 -5.980 2.663 0.999 1.00 0.00 C ATOM 0 H ALA A 59 -7.957 4.251 1.048 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.664 1.319 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.257 1.885 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.015 2.796 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.681 3.599 1.470 1.00 0.00 H new ATOM 913 N LYS A 60 -7.593 3.097 3.778 1.00 0.00 N ATOM 914 CA LYS A 60 -7.555 2.982 5.268 1.00 0.00 C ATOM 915 C LYS A 60 -8.779 2.203 5.757 1.00 0.00 C ATOM 916 O LYS A 60 -8.694 1.412 6.676 1.00 0.00 O ATOM 917 CB LYS A 60 -7.563 4.381 5.887 1.00 0.00 C ATOM 918 CG LYS A 60 -7.163 4.290 7.361 1.00 0.00 C ATOM 919 CD LYS A 60 -8.414 4.086 8.218 1.00 0.00 C ATOM 920 CE LYS A 60 -8.219 4.765 9.575 1.00 0.00 C ATOM 921 NZ LYS A 60 -9.424 4.537 10.422 1.00 0.00 N ATOM 0 H LYS A 60 -7.848 4.018 3.423 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.649 2.455 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.871 5.031 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.554 4.825 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.469 3.463 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.645 5.200 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.286 4.502 7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.604 3.022 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.333 4.366 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.054 5.834 9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.292 4.998 11.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.260 4.938 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.562 3.516 10.562 1.00 0.00 H new ATOM 935 N LYS A 61 -9.918 2.426 5.149 1.00 0.00 N ATOM 936 CA LYS A 61 -11.157 1.707 5.571 1.00 0.00 C ATOM 937 C LYS A 61 -10.962 0.194 5.427 1.00 0.00 C ATOM 938 O LYS A 61 -11.596 -0.588 6.110 1.00 0.00 O ATOM 939 CB LYS A 61 -12.324 2.149 4.684 1.00 0.00 C ATOM 940 CG LYS A 61 -11.954 1.937 3.213 1.00 0.00 C ATOM 941 CD LYS A 61 -13.214 2.023 2.346 1.00 0.00 C ATOM 942 CE LYS A 61 -13.739 0.613 2.064 1.00 0.00 C ATOM 943 NZ LYS A 61 -15.193 0.679 1.743 1.00 0.00 N ATOM 0 H LYS A 61 -10.042 3.079 4.375 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.369 1.944 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.219 1.578 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.555 3.199 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.232 2.690 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.478 0.965 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.978 2.612 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.989 2.533 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.192 0.169 1.232 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.576 -0.027 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.550 -0.279 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.708 1.086 2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.336 1.276 0.904 1.00 0.00 H new ATOM 957 N LEU A 62 -10.097 -0.220 4.537 1.00 0.00 N ATOM 958 CA LEU A 62 -9.862 -1.678 4.334 1.00 0.00 C ATOM 959 C LEU A 62 -9.095 -2.248 5.541 1.00 0.00 C ATOM 960 O LEU A 62 -8.329 -1.539 6.166 1.00 0.00 O ATOM 961 CB LEU A 62 -9.043 -1.890 3.059 1.00 0.00 C ATOM 962 CG LEU A 62 -9.719 -1.179 1.883 1.00 0.00 C ATOM 963 CD1 LEU A 62 -8.831 -1.288 0.642 1.00 0.00 C ATOM 964 CD2 LEU A 62 -11.070 -1.836 1.596 1.00 0.00 C ATOM 0 H LEU A 62 -9.542 0.393 3.940 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.819 -2.191 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.033 -1.505 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.952 -2.955 2.848 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.870 -0.129 2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.312 -0.782 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.867 -0.821 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.681 -2.339 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.550 -1.329 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.918 -2.886 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.706 -1.761 2.478 1.00 0.00 H new ATOM 976 N PRO A 63 -9.317 -3.515 5.841 1.00 0.00 N ATOM 977 CA PRO A 63 -8.650 -4.212 6.989 1.00 0.00 C ATOM 978 C PRO A 63 -7.215 -4.586 6.621 1.00 0.00 C ATOM 979 O PRO A 63 -6.977 -5.499 5.853 1.00 0.00 O ATOM 980 CB PRO A 63 -9.506 -5.451 7.210 1.00 0.00 C ATOM 981 CG PRO A 63 -10.211 -5.744 5.900 1.00 0.00 C ATOM 982 CD PRO A 63 -10.243 -4.445 5.093 1.00 0.00 C ATOM 0 HA PRO A 63 -8.579 -3.594 7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.889 -6.297 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.229 -5.282 8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.687 -6.525 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.223 -6.107 6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.904 -4.605 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.253 -4.038 5.035 1.00 0.00 H new ATOM 990 N GLY A 64 -6.263 -3.879 7.165 1.00 0.00 N ATOM 991 CA GLY A 64 -4.834 -4.168 6.858 1.00 0.00 C ATOM 992 C GLY A 64 -4.070 -2.850 6.720 1.00 0.00 C ATOM 993 O GLY A 64 -2.886 -2.779 6.993 1.00 0.00 O ATOM 0 H GLY A 64 -6.415 -3.107 7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.395 -4.775 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.758 -4.744 5.936 1.00 0.00 H new ATOM 997 N VAL A 65 -4.739 -1.805 6.295 1.00 0.00 N ATOM 998 CA VAL A 65 -4.055 -0.488 6.138 1.00 0.00 C ATOM 999 C VAL A 65 -4.153 0.296 7.448 1.00 0.00 C ATOM 1000 O VAL A 65 -5.135 0.204 8.163 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.724 0.305 5.015 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.938 1.593 4.757 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.747 -0.539 3.739 1.00 0.00 C ATOM 0 H VAL A 65 -5.729 -1.810 6.051 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.006 -0.650 5.890 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.744 0.554 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.416 2.157 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.920 2.196 5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.917 1.344 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.224 0.026 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.726 -0.788 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.307 -1.456 3.920 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.143 1.066 7.765 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.168 1.861 9.028 1.00 0.00 C ATOM 1015 C GLY A 66 -3.466 3.326 8.704 1.00 0.00 C ATOM 1016 O GLY A 66 -4.206 3.628 7.787 1.00 0.00 O ATOM 0 H GLY A 66 -2.300 1.178 7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.926 1.466 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.210 1.779 9.541 1.00 0.00 H new ATOM 1020 N THR A 67 -2.893 4.233 9.451 1.00 0.00 N ATOM 1021 CA THR A 67 -3.137 5.684 9.196 1.00 0.00 C ATOM 1022 C THR A 67 -1.958 6.270 8.415 1.00 0.00 C ATOM 1023 O THR A 67 -2.136 7.079 7.524 1.00 0.00 O ATOM 1024 CB THR A 67 -3.281 6.419 10.531 1.00 0.00 C ATOM 1025 OG1 THR A 67 -2.136 6.167 11.334 1.00 0.00 O ATOM 1026 CG2 THR A 67 -4.533 5.924 11.256 1.00 0.00 C ATOM 0 H THR A 67 -2.265 4.031 10.229 1.00 0.00 H new ATOM 0 HA THR A 67 -4.052 5.802 8.615 1.00 0.00 H new ATOM 0 HB THR A 67 -3.369 7.490 10.349 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.226 6.638 12.189 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.634 6.448 12.206 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.411 6.117 10.640 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.448 4.853 11.440 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.758 5.870 8.749 1.00 0.00 N ATOM 1035 CA LYS A 68 0.439 6.404 8.032 1.00 0.00 C ATOM 1036 C LYS A 68 0.520 5.788 6.630 1.00 0.00 C ATOM 1037 O LYS A 68 0.765 6.477 5.657 1.00 0.00 O ATOM 1038 CB LYS A 68 1.714 6.076 8.826 1.00 0.00 C ATOM 1039 CG LYS A 68 1.891 4.558 8.957 1.00 0.00 C ATOM 1040 CD LYS A 68 2.970 4.258 10.000 1.00 0.00 C ATOM 1041 CE LYS A 68 2.325 4.123 11.380 1.00 0.00 C ATOM 1042 NZ LYS A 68 3.229 3.348 12.277 1.00 0.00 N ATOM 0 H LYS A 68 -0.555 5.196 9.488 1.00 0.00 H new ATOM 0 HA LYS A 68 0.349 7.486 7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.581 6.507 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.659 6.528 9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.949 4.095 9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.171 4.129 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.495 3.338 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.712 5.056 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.134 5.110 11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.361 3.621 11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.791 3.256 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.389 2.402 11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.138 3.845 12.367 1.00 0.00 H new ATOM 1056 N ILE A 69 0.315 4.499 6.523 1.00 0.00 N ATOM 1057 CA ILE A 69 0.379 3.836 5.188 1.00 0.00 C ATOM 1058 C ILE A 69 -0.814 4.272 4.338 1.00 0.00 C ATOM 1059 O ILE A 69 -0.692 4.483 3.145 1.00 0.00 O ATOM 1060 CB ILE A 69 0.342 2.319 5.381 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.465 1.903 6.344 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.523 1.618 4.029 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.840 2.256 5.755 1.00 0.00 C ATOM 0 H ILE A 69 0.106 3.878 7.305 1.00 0.00 H new ATOM 0 HA ILE A 69 1.301 4.121 4.682 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.621 2.028 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.334 2.405 7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.409 0.831 6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.496 0.538 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.280 1.915 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.483 1.903 3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.622 1.954 6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.975 1.733 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.899 3.331 5.588 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.966 4.409 4.943 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.177 4.833 4.176 1.00 0.00 C ATOM 1077 C ALA A 70 -2.930 6.203 3.540 1.00 0.00 C ATOM 1078 O ALA A 70 -3.288 6.443 2.401 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.377 4.915 5.121 1.00 0.00 C ATOM 0 H ALA A 70 -2.121 4.245 5.938 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.382 4.104 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.260 5.224 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.555 3.937 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.172 5.642 5.907 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.315 7.103 4.268 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.033 8.457 3.719 1.00 0.00 C ATOM 1087 C GLU A 71 -1.134 8.331 2.486 1.00 0.00 C ATOM 1088 O GLU A 71 -1.298 9.039 1.509 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.326 9.303 4.781 1.00 0.00 C ATOM 1090 CG GLU A 71 -2.367 9.908 5.727 1.00 0.00 C ATOM 1091 CD GLU A 71 -3.016 11.123 5.062 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -3.739 10.931 4.099 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -2.777 12.225 5.526 1.00 0.00 O ATOM 0 H GLU A 71 -1.996 6.952 5.225 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.971 8.937 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.623 8.688 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.748 10.095 4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.126 9.165 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.895 10.202 6.664 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.189 7.424 2.526 1.00 0.00 N ATOM 1101 CA LYS A 72 0.725 7.233 1.360 1.00 0.00 C ATOM 1102 C LYS A 72 -0.091 6.795 0.142 1.00 0.00 C ATOM 1103 O LYS A 72 0.256 7.092 -0.986 1.00 0.00 O ATOM 1104 CB LYS A 72 1.760 6.156 1.696 1.00 0.00 C ATOM 1105 CG LYS A 72 2.951 6.278 0.744 1.00 0.00 C ATOM 1106 CD LYS A 72 4.215 5.767 1.439 1.00 0.00 C ATOM 1107 CE LYS A 72 5.433 6.523 0.906 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.514 7.858 1.562 1.00 0.00 N ATOM 0 H LYS A 72 -0.012 6.807 3.318 1.00 0.00 H new ATOM 0 HA LYS A 72 1.235 8.170 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.093 6.266 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.312 5.166 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.765 5.704 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.084 7.317 0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.131 5.906 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.332 4.698 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.342 5.954 1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.357 6.641 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.018 8.521 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.554 8.215 1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.026 7.772 2.463 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.177 6.097 0.365 1.00 0.00 N ATOM 1123 CA ILE A 73 -2.028 5.642 -0.774 1.00 0.00 C ATOM 1124 C ILE A 73 -2.611 6.868 -1.480 1.00 0.00 C ATOM 1125 O ILE A 73 -2.599 6.960 -2.692 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.167 4.763 -0.244 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.589 3.595 0.576 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.984 4.212 -1.418 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.668 2.734 -0.297 1.00 0.00 C ATOM 0 H ILE A 73 -1.510 5.823 1.289 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.427 5.064 -1.476 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.813 5.365 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.034 3.982 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.400 2.984 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.792 3.588 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.403 5.040 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.338 3.616 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.267 1.913 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.234 2.332 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.847 3.345 -0.672 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.116 7.814 -0.725 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.705 9.048 -1.336 1.00 0.00 C ATOM 1143 C ASP A 74 -2.679 9.714 -2.260 1.00 0.00 C ATOM 1144 O ASP A 74 -3.012 10.176 -3.334 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.096 10.027 -0.226 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.351 10.798 -0.641 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.488 11.076 -1.821 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.154 11.097 0.228 1.00 0.00 O ATOM 0 H ASP A 74 -3.146 7.784 0.294 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.587 8.775 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.280 9.486 0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.277 10.721 -0.034 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.435 9.753 -1.852 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.383 10.375 -2.710 1.00 0.00 C ATOM 1155 C GLU A 75 -0.259 9.569 -4.005 1.00 0.00 C ATOM 1156 O GLU A 75 0.027 10.105 -5.059 1.00 0.00 O ATOM 1157 CB GLU A 75 0.956 10.362 -1.968 1.00 0.00 C ATOM 1158 CG GLU A 75 0.968 11.473 -0.916 1.00 0.00 C ATOM 1159 CD GLU A 75 0.194 11.014 0.322 1.00 0.00 C ATOM 1160 OE1 GLU A 75 0.795 10.369 1.165 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -0.985 11.314 0.404 1.00 0.00 O ATOM 0 H GLU A 75 -1.104 9.381 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.655 11.405 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.110 9.394 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.775 10.505 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.994 11.720 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.519 12.379 -1.323 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.484 8.283 -3.926 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.397 7.419 -5.138 1.00 0.00 C ATOM 1170 C PHE A 76 -1.517 7.792 -6.105 1.00 0.00 C ATOM 1171 O PHE A 76 -1.289 8.056 -7.271 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.561 5.951 -4.718 1.00 0.00 C ATOM 1173 CG PHE A 76 0.746 5.222 -4.884 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.225 4.932 -6.165 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.476 4.838 -3.755 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.440 4.255 -6.319 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.692 4.160 -3.907 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.175 3.869 -5.189 1.00 0.00 C ATOM 0 H PHE A 76 -0.726 7.792 -3.066 1.00 0.00 H new ATOM 0 HA PHE A 76 0.568 7.561 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.889 5.895 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.333 5.475 -5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.658 5.230 -7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.103 5.064 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.811 4.030 -7.308 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.257 3.862 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.113 3.347 -5.307 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.726 7.797 -5.621 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.887 8.130 -6.487 1.00 0.00 C ATOM 1190 C LEU A 77 -3.897 9.632 -6.803 1.00 0.00 C ATOM 1191 O LEU A 77 -4.484 10.058 -7.779 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.182 7.753 -5.753 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.400 6.227 -5.753 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.371 5.677 -7.181 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.306 5.548 -4.925 1.00 0.00 C ATOM 0 H LEU A 77 -2.961 7.582 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.812 7.574 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.140 8.117 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.030 8.244 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.376 6.018 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.527 4.598 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.161 6.146 -7.768 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.404 5.895 -7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.464 4.470 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.331 5.773 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.343 5.917 -3.900 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.257 10.436 -5.988 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.234 11.908 -6.242 1.00 0.00 C ATOM 1209 C ALA A 78 -2.565 12.189 -7.593 1.00 0.00 C ATOM 1210 O ALA A 78 -3.230 12.447 -8.579 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.455 12.606 -5.124 1.00 0.00 C ATOM 0 H ALA A 78 -2.749 10.134 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.255 12.288 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.438 13.680 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.938 12.410 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.434 12.226 -5.100 1.00 0.00 H new ATOM 1217 N THR A 79 -1.257 12.142 -7.645 1.00 0.00 N ATOM 1218 CA THR A 79 -0.543 12.407 -8.931 1.00 0.00 C ATOM 1219 C THR A 79 0.403 11.246 -9.242 1.00 0.00 C ATOM 1220 O THR A 79 0.498 10.799 -10.369 1.00 0.00 O ATOM 1221 CB THR A 79 0.259 13.707 -8.816 1.00 0.00 C ATOM 1222 OG1 THR A 79 1.065 13.867 -9.975 1.00 0.00 O ATOM 1223 CG2 THR A 79 1.152 13.658 -7.575 1.00 0.00 C ATOM 0 H THR A 79 -0.652 11.931 -6.851 1.00 0.00 H new ATOM 0 HA THR A 79 -1.273 12.503 -9.735 1.00 0.00 H new ATOM 0 HB THR A 79 -0.428 14.548 -8.729 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.578 14.699 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.720 14.585 -7.499 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.533 13.537 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.840 12.817 -7.655 1.00 0.00 H new