USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 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 49 TYR OH : rot -150:sc= 0.48 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -165:sc= 1 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 42:sc= -3.71! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -8.06! C(o=-8.1!,f=-9.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.42 K(o=-1.4,f=-4.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.896 K(o=-0.9,f=-0.31) USER MOD Single : A 34 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-3!) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= -0.0268 (180deg=-0.231) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.12) 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 86:sc=0.000568 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.19 K(o=-3.2,f=-4.1!) 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 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.025 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.860 -3.550 -8.579 1.00 0.00 N ATOM 184 CA GLY A 13 -0.611 -4.292 -8.921 1.00 0.00 C ATOM 185 C GLY A 13 0.594 -3.342 -8.924 1.00 0.00 C ATOM 186 O GLY A 13 1.728 -3.779 -8.867 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.448 -5.093 -8.200 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.715 -4.760 -9.900 1.00 0.00 H new ATOM 190 N GLY A 14 0.365 -2.050 -8.988 1.00 0.00 N ATOM 191 CA GLY A 14 1.503 -1.087 -8.992 1.00 0.00 C ATOM 192 C GLY A 14 1.813 -0.680 -7.555 1.00 0.00 C ATOM 193 O GLY A 14 2.958 -0.519 -7.173 1.00 0.00 O ATOM 0 H GLY A 14 -0.561 -1.626 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.380 -1.542 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.251 -0.209 -9.586 1.00 0.00 H new ATOM 197 N ILE A 15 0.791 -0.512 -6.759 1.00 0.00 N ATOM 198 CA ILE A 15 0.996 -0.114 -5.341 1.00 0.00 C ATOM 199 C ILE A 15 1.637 -1.272 -4.584 1.00 0.00 C ATOM 200 O ILE A 15 2.614 -1.103 -3.877 1.00 0.00 O ATOM 201 CB ILE A 15 -0.351 0.204 -4.686 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.186 1.136 -5.581 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.105 0.881 -3.341 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.622 0.615 -5.651 1.00 0.00 C ATOM 0 H ILE A 15 -0.183 -0.635 -7.035 1.00 0.00 H new ATOM 0 HA ILE A 15 1.638 0.767 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.901 -0.726 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.174 2.150 -5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.754 1.182 -6.581 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.060 1.110 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.467 0.213 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.454 1.804 -3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.217 1.273 -6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.624 -0.391 -6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.050 0.592 -4.649 1.00 0.00 H new ATOM 216 N THR A 16 1.081 -2.452 -4.719 1.00 0.00 N ATOM 217 CA THR A 16 1.636 -3.637 -4.000 1.00 0.00 C ATOM 218 C THR A 16 3.106 -3.841 -4.380 1.00 0.00 C ATOM 219 O THR A 16 3.914 -4.247 -3.566 1.00 0.00 O ATOM 220 CB THR A 16 0.836 -4.888 -4.372 1.00 0.00 C ATOM 221 OG1 THR A 16 1.431 -6.023 -3.760 1.00 0.00 O ATOM 222 CG2 THR A 16 0.833 -5.072 -5.890 1.00 0.00 C ATOM 0 H THR A 16 0.264 -2.644 -5.299 1.00 0.00 H new ATOM 0 HA THR A 16 1.564 -3.464 -2.926 1.00 0.00 H new ATOM 0 HB THR A 16 -0.191 -4.776 -4.024 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.692 -5.800 -2.842 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.262 -5.964 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.377 -4.201 -6.361 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.858 -5.182 -6.245 1.00 0.00 H new ATOM 230 N ASP A 17 3.458 -3.557 -5.610 1.00 0.00 N ATOM 231 CA ASP A 17 4.876 -3.728 -6.051 1.00 0.00 C ATOM 232 C ASP A 17 5.787 -2.845 -5.194 1.00 0.00 C ATOM 233 O ASP A 17 6.900 -3.212 -4.873 1.00 0.00 O ATOM 234 CB ASP A 17 5.006 -3.321 -7.520 1.00 0.00 C ATOM 235 CG ASP A 17 6.228 -4.007 -8.134 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.107 -5.162 -8.511 1.00 0.00 O ATOM 237 OD2 ASP A 17 7.263 -3.367 -8.218 1.00 0.00 O ATOM 0 H ASP A 17 2.822 -3.213 -6.329 1.00 0.00 H new ATOM 0 HA ASP A 17 5.169 -4.772 -5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.106 -3.601 -8.067 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.105 -2.238 -7.601 1.00 0.00 H new ATOM 242 N MET A 18 5.311 -1.686 -4.818 1.00 0.00 N ATOM 243 CA MET A 18 6.132 -0.768 -3.975 1.00 0.00 C ATOM 244 C MET A 18 5.875 -1.045 -2.485 1.00 0.00 C ATOM 245 O MET A 18 6.601 -0.569 -1.631 1.00 0.00 O ATOM 246 CB MET A 18 5.760 0.681 -4.292 1.00 0.00 C ATOM 247 CG MET A 18 6.978 1.580 -4.076 1.00 0.00 C ATOM 248 SD MET A 18 8.182 1.293 -5.396 1.00 0.00 S ATOM 249 CE MET A 18 8.026 2.905 -6.201 1.00 0.00 C ATOM 0 H MET A 18 4.384 -1.335 -5.060 1.00 0.00 H new ATOM 0 HA MET A 18 7.187 -0.935 -4.192 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.414 0.761 -5.322 1.00 0.00 H new ATOM 0 HB3 MET A 18 4.938 1.005 -3.653 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.674 2.627 -4.068 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.429 1.372 -3.106 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.695 2.949 -7.060 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.998 3.048 -6.534 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.291 3.692 -5.495 1.00 0.00 H new ATOM 259 N LEU A 19 4.859 -1.816 -2.160 1.00 0.00 N ATOM 260 CA LEU A 19 4.572 -2.120 -0.729 1.00 0.00 C ATOM 261 C LEU A 19 5.383 -3.343 -0.317 1.00 0.00 C ATOM 262 O LEU A 19 5.805 -3.470 0.816 1.00 0.00 O ATOM 263 CB LEU A 19 3.081 -2.423 -0.558 1.00 0.00 C ATOM 264 CG LEU A 19 2.287 -1.114 -0.497 1.00 0.00 C ATOM 265 CD1 LEU A 19 0.935 -1.303 -1.187 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.057 -0.723 0.964 1.00 0.00 C ATOM 0 H LEU A 19 4.220 -2.245 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 19 4.840 -1.265 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.728 -3.035 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.920 -2.999 0.353 1.00 0.00 H new ATOM 0 HG LEU A 19 2.849 -0.328 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.371 -0.371 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.094 -1.582 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.375 -2.090 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.492 0.208 1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.497 -1.511 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.018 -0.588 1.460 1.00 0.00 H new ATOM 278 N VAL A 20 5.597 -4.242 -1.238 1.00 0.00 N ATOM 279 CA VAL A 20 6.374 -5.471 -0.932 1.00 0.00 C ATOM 280 C VAL A 20 7.870 -5.183 -1.098 1.00 0.00 C ATOM 281 O VAL A 20 8.691 -5.690 -0.357 1.00 0.00 O ATOM 282 CB VAL A 20 5.946 -6.577 -1.900 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.682 -7.870 -1.560 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.436 -6.804 -1.776 1.00 0.00 C ATOM 0 H VAL A 20 5.262 -4.174 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 20 6.186 -5.788 0.094 1.00 0.00 H new ATOM 0 HB VAL A 20 6.190 -6.280 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.375 -8.656 -2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.757 -7.710 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.440 -8.169 -0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.129 -7.591 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.195 -7.100 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.908 -5.882 -2.020 1.00 0.00 H new ATOM 294 N GLU A 21 8.227 -4.378 -2.067 1.00 0.00 N ATOM 295 CA GLU A 21 9.669 -4.056 -2.291 1.00 0.00 C ATOM 296 C GLU A 21 10.206 -3.239 -1.115 1.00 0.00 C ATOM 297 O GLU A 21 11.261 -3.531 -0.585 1.00 0.00 O ATOM 298 CB GLU A 21 9.820 -3.252 -3.584 1.00 0.00 C ATOM 299 CG GLU A 21 11.216 -3.477 -4.166 1.00 0.00 C ATOM 300 CD GLU A 21 12.160 -2.383 -3.664 1.00 0.00 C ATOM 301 OE1 GLU A 21 12.523 -2.428 -2.499 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.506 -1.519 -4.453 1.00 0.00 O ATOM 0 H GLU A 21 7.579 -3.929 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 21 10.235 -4.984 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.061 -3.556 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.664 -2.192 -3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.590 -4.458 -3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.174 -3.464 -5.255 1.00 0.00 H new ATOM 309 N LEU A 22 9.495 -2.221 -0.695 1.00 0.00 N ATOM 310 CA LEU A 22 9.989 -1.411 0.452 1.00 0.00 C ATOM 311 C LEU A 22 9.798 -2.225 1.739 1.00 0.00 C ATOM 312 O LEU A 22 10.592 -2.157 2.654 1.00 0.00 O ATOM 313 CB LEU A 22 9.240 -0.058 0.515 1.00 0.00 C ATOM 314 CG LEU A 22 7.850 -0.203 1.157 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.976 -0.100 2.682 1.00 0.00 C ATOM 316 CD2 LEU A 22 6.938 0.916 0.649 1.00 0.00 C ATOM 0 H LEU A 22 8.605 -1.922 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 22 11.048 -1.185 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.831 0.658 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.135 0.346 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 22 7.427 -1.172 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.991 -0.203 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.629 -0.893 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.399 0.869 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.952 0.816 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.364 1.883 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.847 0.848 -0.435 1.00 0.00 H new ATOM 328 N ALA A 23 8.737 -2.996 1.804 1.00 0.00 N ATOM 329 CA ALA A 23 8.465 -3.827 3.020 1.00 0.00 C ATOM 330 C ALA A 23 9.688 -4.692 3.342 1.00 0.00 C ATOM 331 O ALA A 23 10.165 -4.711 4.460 1.00 0.00 O ATOM 332 CB ALA A 23 7.259 -4.732 2.761 1.00 0.00 C ATOM 0 H ALA A 23 8.044 -3.085 1.061 1.00 0.00 H new ATOM 0 HA ALA A 23 8.255 -3.169 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.061 -5.337 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.386 -4.119 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.470 -5.386 1.915 1.00 0.00 H new ATOM 338 N ASN A 24 10.208 -5.394 2.361 1.00 0.00 N ATOM 339 CA ASN A 24 11.414 -6.241 2.605 1.00 0.00 C ATOM 340 C ASN A 24 12.570 -5.329 3.020 1.00 0.00 C ATOM 341 O ASN A 24 13.406 -5.691 3.824 1.00 0.00 O ATOM 342 CB ASN A 24 11.775 -7.013 1.329 1.00 0.00 C ATOM 343 CG ASN A 24 11.955 -6.055 0.161 1.00 0.00 C ATOM 344 OD1 ASN A 24 11.126 -6.003 -0.715 1.00 0.00 O ATOM 345 ND2 ASN A 24 13.019 -5.302 0.100 1.00 0.00 N ATOM 0 H ASN A 24 9.849 -5.415 1.407 1.00 0.00 H new ATOM 0 HA ASN A 24 11.213 -6.963 3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.692 -7.580 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 24 10.991 -7.734 1.099 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.151 -4.669 -0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.719 -5.347 0.841 1.00 0.00 H new ATOM 352 N PHE A 25 12.598 -4.131 2.489 1.00 0.00 N ATOM 353 CA PHE A 25 13.670 -3.161 2.856 1.00 0.00 C ATOM 354 C PHE A 25 13.549 -2.798 4.339 1.00 0.00 C ATOM 355 O PHE A 25 14.500 -2.349 4.949 1.00 0.00 O ATOM 356 CB PHE A 25 13.510 -1.896 2.009 1.00 0.00 C ATOM 357 CG PHE A 25 14.729 -1.022 2.164 1.00 0.00 C ATOM 358 CD1 PHE A 25 14.816 -0.129 3.238 1.00 0.00 C ATOM 359 CD2 PHE A 25 15.771 -1.103 1.233 1.00 0.00 C ATOM 360 CE1 PHE A 25 15.948 0.683 3.382 1.00 0.00 C ATOM 361 CE2 PHE A 25 16.902 -0.291 1.377 1.00 0.00 C ATOM 362 CZ PHE A 25 16.991 0.601 2.453 1.00 0.00 C ATOM 0 H PHE A 25 11.918 -3.784 1.813 1.00 0.00 H new ATOM 0 HA PHE A 25 14.647 -3.608 2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.373 -2.163 0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.618 -1.351 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 25 14.011 -0.066 3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 25 15.702 -1.792 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.016 1.373 4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 25 17.706 -0.352 0.658 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.865 1.226 2.566 1.00 0.00 H new ATOM 372 N GLU A 26 12.390 -2.987 4.924 1.00 0.00 N ATOM 373 CA GLU A 26 12.217 -2.650 6.370 1.00 0.00 C ATOM 374 C GLU A 26 12.829 -3.769 7.215 1.00 0.00 C ATOM 375 O GLU A 26 13.715 -3.539 8.017 1.00 0.00 O ATOM 376 CB GLU A 26 10.723 -2.505 6.730 1.00 0.00 C ATOM 377 CG GLU A 26 9.924 -1.843 5.589 1.00 0.00 C ATOM 378 CD GLU A 26 10.552 -0.498 5.194 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.698 -0.497 4.777 1.00 0.00 O ATOM 380 OE2 GLU A 26 9.868 0.506 5.310 1.00 0.00 O ATOM 0 H GLU A 26 11.560 -3.359 4.463 1.00 0.00 H new ATOM 0 HA GLU A 26 12.714 -1.701 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.303 -3.488 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.623 -1.910 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.899 -2.506 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.892 -1.689 5.903 1.00 0.00 H new ATOM 387 N LYS A 27 12.364 -4.981 7.036 1.00 0.00 N ATOM 388 CA LYS A 27 12.916 -6.125 7.821 1.00 0.00 C ATOM 389 C LYS A 27 14.369 -6.370 7.410 1.00 0.00 C ATOM 390 O LYS A 27 15.217 -6.648 8.238 1.00 0.00 O ATOM 391 CB LYS A 27 12.088 -7.382 7.545 1.00 0.00 C ATOM 392 CG LYS A 27 12.221 -8.349 8.722 1.00 0.00 C ATOM 393 CD LYS A 27 13.545 -9.107 8.615 1.00 0.00 C ATOM 394 CE LYS A 27 13.402 -10.482 9.269 1.00 0.00 C ATOM 395 NZ LYS A 27 14.754 -11.059 9.516 1.00 0.00 N ATOM 0 H LYS A 27 11.624 -5.226 6.378 1.00 0.00 H new ATOM 0 HA LYS A 27 12.873 -5.890 8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.042 -7.116 7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.429 -7.861 6.627 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.179 -7.801 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.387 -9.051 8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.829 -9.218 7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.340 -8.542 9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.855 -10.395 10.208 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.825 -11.145 8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.656 -11.994 9.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.260 -11.156 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.290 -10.430 10.147 1.00 0.00 H new ATOM 409 N ASN A 28 14.665 -6.264 6.137 1.00 0.00 N ATOM 410 CA ASN A 28 16.068 -6.483 5.663 1.00 0.00 C ATOM 411 C ASN A 28 17.007 -5.493 6.361 1.00 0.00 C ATOM 412 O ASN A 28 18.182 -5.754 6.532 1.00 0.00 O ATOM 413 CB ASN A 28 16.137 -6.269 4.149 1.00 0.00 C ATOM 414 CG ASN A 28 15.477 -7.450 3.436 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.559 -8.052 3.954 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.910 -7.808 2.257 1.00 0.00 N ATOM 0 H ASN A 28 13.994 -6.035 5.404 1.00 0.00 H new ATOM 0 HA ASN A 28 16.374 -7.502 5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.634 -5.340 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.175 -6.173 3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.477 -8.593 1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.681 -7.302 1.822 1.00 0.00 H new ATOM 423 N VAL A 29 16.488 -4.362 6.772 1.00 0.00 N ATOM 424 CA VAL A 29 17.332 -3.352 7.469 1.00 0.00 C ATOM 425 C VAL A 29 17.293 -3.648 8.977 1.00 0.00 C ATOM 426 O VAL A 29 16.461 -4.402 9.446 1.00 0.00 O ATOM 427 CB VAL A 29 16.783 -1.948 7.158 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.479 -0.887 8.021 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.039 -1.631 5.683 1.00 0.00 C ATOM 0 H VAL A 29 15.510 -4.097 6.652 1.00 0.00 H new ATOM 0 HA VAL A 29 18.367 -3.397 7.130 1.00 0.00 H new ATOM 0 HB VAL A 29 15.715 -1.933 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.075 0.097 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.307 -1.105 9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.550 -0.898 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.654 -0.638 5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.111 -1.659 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.535 -2.370 5.059 1.00 0.00 H new ATOM 439 N SER A 30 18.203 -3.081 9.729 1.00 0.00 N ATOM 440 CA SER A 30 18.243 -3.349 11.198 1.00 0.00 C ATOM 441 C SER A 30 17.148 -2.562 11.931 1.00 0.00 C ATOM 442 O SER A 30 16.203 -3.134 12.441 1.00 0.00 O ATOM 443 CB SER A 30 19.615 -2.950 11.746 1.00 0.00 C ATOM 444 OG SER A 30 20.056 -3.937 12.669 1.00 0.00 O ATOM 0 H SER A 30 18.921 -2.443 9.387 1.00 0.00 H new ATOM 0 HA SER A 30 18.069 -4.412 11.363 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.331 -2.852 10.930 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.555 -1.978 12.236 1.00 0.00 H new ATOM 0 HG SER A 30 20.935 -3.686 13.021 1.00 0.00 H new ATOM 450 N GLN A 31 17.283 -1.261 12.010 1.00 0.00 N ATOM 451 CA GLN A 31 16.267 -0.441 12.737 1.00 0.00 C ATOM 452 C GLN A 31 15.085 -0.104 11.819 1.00 0.00 C ATOM 453 O GLN A 31 14.789 1.052 11.572 1.00 0.00 O ATOM 454 CB GLN A 31 16.924 0.851 13.230 1.00 0.00 C ATOM 455 CG GLN A 31 18.054 0.510 14.206 1.00 0.00 C ATOM 456 CD GLN A 31 17.459 -0.051 15.498 1.00 0.00 C ATOM 457 OE1 GLN A 31 17.252 0.674 16.451 1.00 0.00 O ATOM 458 NE2 GLN A 31 17.175 -1.323 15.573 1.00 0.00 N ATOM 0 H GLN A 31 18.054 -0.732 11.602 1.00 0.00 H new ATOM 0 HA GLN A 31 15.891 -1.013 13.585 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.317 1.417 12.385 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.184 1.483 13.721 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.729 -0.219 13.757 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.644 1.401 14.421 1.00 0.00 H new ATOM 0 HE21 GLN A 31 17.348 -1.932 14.774 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.780 -1.708 16.431 1.00 0.00 H new ATOM 467 N ALA A 32 14.397 -1.103 11.321 1.00 0.00 N ATOM 468 CA ALA A 32 13.227 -0.835 10.434 1.00 0.00 C ATOM 469 C ALA A 32 12.205 -1.971 10.566 1.00 0.00 C ATOM 470 O ALA A 32 11.932 -2.689 9.620 1.00 0.00 O ATOM 471 CB ALA A 32 13.696 -0.719 8.984 1.00 0.00 C ATOM 0 H ALA A 32 14.596 -2.089 11.491 1.00 0.00 H new ATOM 0 HA ALA A 32 12.756 0.102 10.732 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.839 -0.523 8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.410 0.100 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.173 -1.651 8.680 1.00 0.00 H new ATOM 477 N ILE A 33 11.636 -2.135 11.733 1.00 0.00 N ATOM 478 CA ILE A 33 10.627 -3.217 11.937 1.00 0.00 C ATOM 479 C ILE A 33 9.237 -2.579 12.118 1.00 0.00 C ATOM 480 O ILE A 33 8.235 -3.152 11.750 1.00 0.00 O ATOM 481 CB ILE A 33 11.069 -4.094 13.151 1.00 0.00 C ATOM 482 CG1 ILE A 33 11.232 -5.553 12.697 1.00 0.00 C ATOM 483 CG2 ILE A 33 10.067 -4.048 14.316 1.00 0.00 C ATOM 484 CD1 ILE A 33 12.282 -5.644 11.587 1.00 0.00 C ATOM 0 H ILE A 33 11.828 -1.564 12.556 1.00 0.00 H new ATOM 0 HA ILE A 33 10.563 -3.876 11.071 1.00 0.00 H new ATOM 0 HB ILE A 33 12.014 -3.686 13.510 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.530 -6.174 13.542 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.278 -5.939 12.338 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.427 -4.676 15.131 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.964 -3.021 14.667 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.098 -4.414 13.977 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.390 -6.682 11.272 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.967 -5.038 10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.238 -5.277 11.960 1.00 0.00 H new ATOM 496 N HIS A 34 9.181 -1.399 12.675 1.00 0.00 N ATOM 497 CA HIS A 34 7.854 -0.716 12.870 1.00 0.00 C ATOM 498 C HIS A 34 7.201 -0.499 11.500 1.00 0.00 C ATOM 499 O HIS A 34 6.046 -0.827 11.287 1.00 0.00 O ATOM 500 CB HIS A 34 8.020 0.647 13.583 1.00 0.00 C ATOM 501 CG HIS A 34 9.293 1.337 13.153 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.494 1.130 13.812 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.574 2.209 12.130 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.432 1.856 13.184 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.926 2.536 12.151 1.00 0.00 N ATOM 0 H HIS A 34 9.991 -0.874 13.005 1.00 0.00 H new ATOM 0 HA HIS A 34 7.227 -1.350 13.497 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.164 1.284 13.359 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.032 0.497 14.663 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.854 2.584 11.417 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.471 1.887 13.478 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.423 3.160 11.515 1.00 0.00 H new ATOM 513 N LYS A 35 7.945 0.035 10.568 1.00 0.00 N ATOM 514 CA LYS A 35 7.393 0.267 9.203 1.00 0.00 C ATOM 515 C LYS A 35 7.182 -1.078 8.500 1.00 0.00 C ATOM 516 O LYS A 35 6.345 -1.205 7.629 1.00 0.00 O ATOM 517 CB LYS A 35 8.364 1.130 8.383 1.00 0.00 C ATOM 518 CG LYS A 35 9.797 0.581 8.494 1.00 0.00 C ATOM 519 CD LYS A 35 10.719 1.654 9.082 1.00 0.00 C ATOM 520 CE LYS A 35 11.405 2.419 7.949 1.00 0.00 C ATOM 521 NZ LYS A 35 10.423 3.335 7.303 1.00 0.00 N ATOM 0 H LYS A 35 8.916 0.321 10.695 1.00 0.00 H new ATOM 0 HA LYS A 35 6.439 0.787 9.288 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.054 1.145 7.338 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.334 2.160 8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.808 -0.307 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.157 0.278 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.144 2.341 9.702 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.466 1.192 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.248 2.989 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.805 1.720 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.925 3.996 6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.744 2.779 6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.914 3.870 8.035 1.00 0.00 H new ATOM 535 N TYR A 36 7.932 -2.089 8.878 1.00 0.00 N ATOM 536 CA TYR A 36 7.781 -3.439 8.240 1.00 0.00 C ATOM 537 C TYR A 36 6.307 -3.872 8.265 1.00 0.00 C ATOM 538 O TYR A 36 5.673 -3.997 7.233 1.00 0.00 O ATOM 539 CB TYR A 36 8.633 -4.451 9.016 1.00 0.00 C ATOM 540 CG TYR A 36 8.574 -5.805 8.349 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.841 -5.930 6.982 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.256 -6.937 9.107 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.789 -7.187 6.372 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.204 -8.194 8.499 1.00 0.00 C ATOM 545 CZ TYR A 36 8.471 -8.321 7.130 1.00 0.00 C ATOM 546 OH TYR A 36 8.420 -9.562 6.529 1.00 0.00 O ATOM 0 H TYR A 36 8.646 -2.037 9.605 1.00 0.00 H new ATOM 0 HA TYR A 36 8.113 -3.393 7.203 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.666 -4.106 9.064 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.274 -4.528 10.042 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.087 -5.056 6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.051 -6.839 10.163 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.994 -7.284 5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.958 -9.067 9.085 1.00 0.00 H new ATOM 0 HH TYR A 36 8.186 -10.240 7.197 1.00 0.00 H new ATOM 556 N ASN A 37 5.760 -4.093 9.434 1.00 0.00 N ATOM 557 CA ASN A 37 4.327 -4.507 9.537 1.00 0.00 C ATOM 558 C ASN A 37 3.431 -3.456 8.868 1.00 0.00 C ATOM 559 O ASN A 37 2.341 -3.755 8.420 1.00 0.00 O ATOM 560 CB ASN A 37 3.940 -4.638 11.013 1.00 0.00 C ATOM 561 CG ASN A 37 4.281 -6.045 11.507 1.00 0.00 C ATOM 562 OD1 ASN A 37 3.806 -7.023 10.966 1.00 0.00 O ATOM 563 ND2 ASN A 37 5.091 -6.188 12.520 1.00 0.00 N ATOM 0 H ASN A 37 6.247 -4.004 10.326 1.00 0.00 H new ATOM 0 HA ASN A 37 4.194 -5.465 9.035 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.471 -3.894 11.607 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.875 -4.445 11.139 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.325 -7.121 12.858 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.490 -5.366 12.974 1.00 0.00 H new ATOM 570 N ALA A 38 3.889 -2.227 8.788 1.00 0.00 N ATOM 571 CA ALA A 38 3.074 -1.152 8.138 1.00 0.00 C ATOM 572 C ALA A 38 2.736 -1.550 6.695 1.00 0.00 C ATOM 573 O ALA A 38 1.592 -1.785 6.357 1.00 0.00 O ATOM 574 CB ALA A 38 3.879 0.152 8.123 1.00 0.00 C ATOM 0 H ALA A 38 4.794 -1.923 9.146 1.00 0.00 H new ATOM 0 HA ALA A 38 2.150 -1.015 8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.290 0.938 7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.119 0.443 9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.802 0.004 7.562 1.00 0.00 H new ATOM 580 N TYR A 39 3.728 -1.619 5.849 1.00 0.00 N ATOM 581 CA TYR A 39 3.485 -1.985 4.423 1.00 0.00 C ATOM 582 C TYR A 39 3.144 -3.474 4.308 1.00 0.00 C ATOM 583 O TYR A 39 2.496 -3.895 3.367 1.00 0.00 O ATOM 584 CB TYR A 39 4.740 -1.675 3.602 1.00 0.00 C ATOM 585 CG TYR A 39 5.098 -0.213 3.760 1.00 0.00 C ATOM 586 CD1 TYR A 39 5.916 0.196 4.821 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.615 0.731 2.849 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.249 1.546 4.971 1.00 0.00 C ATOM 589 CE2 TYR A 39 4.948 2.082 2.998 1.00 0.00 C ATOM 590 CZ TYR A 39 5.764 2.490 4.059 1.00 0.00 C ATOM 591 OH TYR A 39 6.091 3.823 4.205 1.00 0.00 O ATOM 0 H TYR A 39 4.703 -1.436 6.086 1.00 0.00 H new ATOM 0 HA TYR A 39 2.644 -1.405 4.042 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.568 -2.301 3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.566 -1.906 2.551 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.290 -0.533 5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.985 0.418 2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.880 1.860 5.790 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.575 2.810 2.293 1.00 0.00 H new ATOM 0 HH TYR A 39 5.673 4.343 3.487 1.00 0.00 H new ATOM 601 N ARG A 40 3.573 -4.274 5.252 1.00 0.00 N ATOM 602 CA ARG A 40 3.270 -5.735 5.195 1.00 0.00 C ATOM 603 C ARG A 40 1.756 -5.949 5.264 1.00 0.00 C ATOM 604 O ARG A 40 1.203 -6.767 4.552 1.00 0.00 O ATOM 605 CB ARG A 40 3.939 -6.440 6.377 1.00 0.00 C ATOM 606 CG ARG A 40 3.770 -7.953 6.232 1.00 0.00 C ATOM 607 CD ARG A 40 4.762 -8.481 5.193 1.00 0.00 C ATOM 608 NE ARG A 40 5.096 -9.907 5.502 1.00 0.00 N ATOM 609 CZ ARG A 40 4.233 -10.878 5.280 1.00 0.00 C ATOM 610 NH1 ARG A 40 3.042 -10.641 4.779 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.570 -12.107 5.567 1.00 0.00 N ATOM 0 H ARG A 40 4.120 -3.977 6.060 1.00 0.00 H new ATOM 0 HA ARG A 40 3.651 -6.148 4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.998 -6.184 6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.496 -6.102 7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.938 -8.442 7.192 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.750 -8.188 5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.333 -8.405 4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.668 -7.875 5.198 1.00 0.00 H new ATOM 0 HE ARG A 40 6.011 -10.132 5.893 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.765 -9.686 4.551 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.394 -11.412 4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.491 -12.305 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.912 -12.868 5.400 1.00 0.00 H new ATOM 625 N LYS A 41 1.084 -5.222 6.120 1.00 0.00 N ATOM 626 CA LYS A 41 -0.395 -5.377 6.248 1.00 0.00 C ATOM 627 C LYS A 41 -1.091 -4.716 5.055 1.00 0.00 C ATOM 628 O LYS A 41 -2.003 -5.273 4.473 1.00 0.00 O ATOM 629 CB LYS A 41 -0.867 -4.714 7.542 1.00 0.00 C ATOM 630 CG LYS A 41 -0.763 -5.713 8.696 1.00 0.00 C ATOM 631 CD LYS A 41 -1.689 -5.278 9.834 1.00 0.00 C ATOM 632 CE LYS A 41 -2.201 -6.513 10.577 1.00 0.00 C ATOM 633 NZ LYS A 41 -3.162 -6.093 11.635 1.00 0.00 N ATOM 0 H LYS A 41 1.499 -4.525 6.738 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.644 -6.438 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.261 -3.833 7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.897 -4.373 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.036 -6.711 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.266 -5.768 9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.154 -4.623 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.528 -4.706 9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.687 -7.195 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.367 -7.054 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.510 -6.932 12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.684 -5.458 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.963 -5.595 11.198 1.00 0.00 H new ATOM 647 N ALA A 42 -0.667 -3.532 4.687 1.00 0.00 N ATOM 648 CA ALA A 42 -1.302 -2.826 3.534 1.00 0.00 C ATOM 649 C ALA A 42 -1.108 -3.647 2.258 1.00 0.00 C ATOM 650 O ALA A 42 -2.007 -3.772 1.447 1.00 0.00 O ATOM 651 CB ALA A 42 -0.657 -1.451 3.358 1.00 0.00 C ATOM 0 H ALA A 42 0.094 -3.024 5.138 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.368 -2.706 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.121 -0.937 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.799 -0.864 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.409 -1.571 3.167 1.00 0.00 H new ATOM 657 N ALA A 43 0.060 -4.208 2.074 1.00 0.00 N ATOM 658 CA ALA A 43 0.321 -5.023 0.851 1.00 0.00 C ATOM 659 C ALA A 43 -0.570 -6.268 0.866 1.00 0.00 C ATOM 660 O ALA A 43 -0.939 -6.786 -0.171 1.00 0.00 O ATOM 661 CB ALA A 43 1.790 -5.449 0.826 1.00 0.00 C ATOM 0 H ALA A 43 0.846 -4.136 2.720 1.00 0.00 H new ATOM 0 HA ALA A 43 0.099 -4.428 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.981 -6.044 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.425 -4.563 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.012 -6.043 1.712 1.00 0.00 H new ATOM 667 N SER A 44 -0.911 -6.753 2.033 1.00 0.00 N ATOM 668 CA SER A 44 -1.773 -7.969 2.122 1.00 0.00 C ATOM 669 C SER A 44 -3.201 -7.632 1.683 1.00 0.00 C ATOM 670 O SER A 44 -3.882 -8.450 1.094 1.00 0.00 O ATOM 671 CB SER A 44 -1.791 -8.472 3.566 1.00 0.00 C ATOM 672 OG SER A 44 -0.689 -9.344 3.773 1.00 0.00 O ATOM 0 H SER A 44 -0.628 -6.358 2.930 1.00 0.00 H new ATOM 0 HA SER A 44 -1.371 -8.742 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.739 -7.631 4.257 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.726 -8.994 3.770 1.00 0.00 H new ATOM 0 HG SER A 44 0.105 -8.819 4.007 1.00 0.00 H new ATOM 678 N VAL A 45 -3.661 -6.439 1.971 1.00 0.00 N ATOM 679 CA VAL A 45 -5.051 -6.056 1.577 1.00 0.00 C ATOM 680 C VAL A 45 -5.048 -5.423 0.179 1.00 0.00 C ATOM 681 O VAL A 45 -5.876 -5.745 -0.652 1.00 0.00 O ATOM 682 CB VAL A 45 -5.637 -5.074 2.607 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.826 -3.774 2.638 1.00 0.00 C ATOM 684 CG2 VAL A 45 -7.091 -4.753 2.241 1.00 0.00 C ATOM 0 H VAL A 45 -3.135 -5.716 2.461 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.672 -6.951 1.552 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.594 -5.539 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.257 -3.094 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.794 -3.995 2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.849 -3.307 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.505 -4.058 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.125 -4.301 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.678 -5.672 2.242 1.00 0.00 H new ATOM 694 N ILE A 46 -4.130 -4.526 -0.083 1.00 0.00 N ATOM 695 CA ILE A 46 -4.082 -3.869 -1.424 1.00 0.00 C ATOM 696 C ILE A 46 -3.709 -4.902 -2.493 1.00 0.00 C ATOM 697 O ILE A 46 -4.422 -5.086 -3.462 1.00 0.00 O ATOM 698 CB ILE A 46 -3.042 -2.741 -1.403 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.392 -1.752 -0.286 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.046 -2.009 -2.748 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.291 -0.695 -0.169 1.00 0.00 C ATOM 0 H ILE A 46 -3.412 -4.221 0.574 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.061 -3.452 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.053 -3.164 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.348 -1.273 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.503 -2.282 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.306 -1.209 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.801 -2.711 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.034 -1.585 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.543 0.007 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.343 -1.181 0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.201 -0.157 -1.113 1.00 0.00 H new ATOM 713 N ALA A 47 -2.599 -5.575 -2.324 1.00 0.00 N ATOM 714 CA ALA A 47 -2.173 -6.598 -3.328 1.00 0.00 C ATOM 715 C ALA A 47 -3.242 -7.690 -3.466 1.00 0.00 C ATOM 716 O ALA A 47 -3.275 -8.407 -4.449 1.00 0.00 O ATOM 717 CB ALA A 47 -0.859 -7.235 -2.874 1.00 0.00 C ATOM 0 H ALA A 47 -1.967 -5.460 -1.532 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.039 -6.110 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.545 -7.981 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.092 -6.465 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.002 -7.713 -1.905 1.00 0.00 H new ATOM 723 N LYS A 48 -4.110 -7.830 -2.491 1.00 0.00 N ATOM 724 CA LYS A 48 -5.168 -8.881 -2.572 1.00 0.00 C ATOM 725 C LYS A 48 -6.550 -8.225 -2.570 1.00 0.00 C ATOM 726 O LYS A 48 -7.521 -8.812 -2.131 1.00 0.00 O ATOM 727 CB LYS A 48 -5.049 -9.813 -1.367 1.00 0.00 C ATOM 728 CG LYS A 48 -5.772 -11.127 -1.665 1.00 0.00 C ATOM 729 CD LYS A 48 -5.648 -12.064 -0.461 1.00 0.00 C ATOM 730 CE LYS A 48 -6.065 -13.477 -0.869 1.00 0.00 C ATOM 731 NZ LYS A 48 -7.538 -13.632 -0.697 1.00 0.00 N ATOM 0 H LYS A 48 -4.129 -7.261 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.040 -9.451 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.999 -10.005 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.480 -9.340 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.823 -10.935 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.344 -11.597 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.622 -12.068 -0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.277 -11.709 0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.788 -13.664 -1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.538 -14.213 -0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.821 -14.594 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.790 -13.471 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.032 -12.939 -1.295 1.00 0.00 H new ATOM 745 N TYR A 49 -6.644 -7.014 -3.055 1.00 0.00 N ATOM 746 CA TYR A 49 -7.963 -6.315 -3.081 1.00 0.00 C ATOM 747 C TYR A 49 -8.660 -6.609 -4.423 1.00 0.00 C ATOM 748 O TYR A 49 -8.007 -6.634 -5.447 1.00 0.00 O ATOM 749 CB TYR A 49 -7.732 -4.803 -2.928 1.00 0.00 C ATOM 750 CG TYR A 49 -8.931 -4.129 -2.285 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.564 -4.701 -1.171 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.405 -2.918 -2.805 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.663 -4.066 -0.584 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.503 -2.282 -2.214 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.133 -2.856 -1.106 1.00 0.00 C ATOM 756 OH TYR A 49 -12.216 -2.229 -0.525 1.00 0.00 O ATOM 0 H TYR A 49 -5.863 -6.479 -3.435 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.593 -6.667 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.844 -4.627 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.543 -4.360 -3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.201 -5.634 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.923 -2.474 -3.663 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.149 -4.510 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.864 -1.346 -2.615 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.705 -1.722 -1.206 1.00 0.00 H new ATOM 766 N PRO A 50 -9.964 -6.832 -4.396 1.00 0.00 N ATOM 767 CA PRO A 50 -10.766 -7.136 -5.624 1.00 0.00 C ATOM 768 C PRO A 50 -11.206 -5.853 -6.337 1.00 0.00 C ATOM 769 O PRO A 50 -11.979 -5.901 -7.276 1.00 0.00 O ATOM 770 CB PRO A 50 -11.977 -7.881 -5.079 1.00 0.00 C ATOM 771 CG PRO A 50 -12.147 -7.468 -3.627 1.00 0.00 C ATOM 772 CD PRO A 50 -10.842 -6.813 -3.171 1.00 0.00 C ATOM 0 HA PRO A 50 -10.200 -7.706 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.870 -7.636 -5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.832 -8.959 -5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.980 -6.773 -3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.376 -8.335 -3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.010 -5.795 -2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.387 -7.364 -2.348 1.00 0.00 H new ATOM 780 N HIS A 51 -10.736 -4.706 -5.901 1.00 0.00 N ATOM 781 CA HIS A 51 -11.154 -3.434 -6.567 1.00 0.00 C ATOM 782 C HIS A 51 -10.002 -2.429 -6.519 1.00 0.00 C ATOM 783 O HIS A 51 -8.991 -2.663 -5.884 1.00 0.00 O ATOM 784 CB HIS A 51 -12.378 -2.854 -5.844 1.00 0.00 C ATOM 785 CG HIS A 51 -13.402 -3.941 -5.632 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.139 -4.478 -6.677 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.799 -4.620 -4.507 1.00 0.00 C ATOM 788 CE1 HIS A 51 -14.931 -5.438 -6.162 1.00 0.00 C ATOM 789 NE2 HIS A 51 -14.764 -5.564 -4.843 1.00 0.00 N ATOM 0 H HIS A 51 -10.088 -4.598 -5.121 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.412 -3.636 -7.606 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.080 -2.430 -4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -12.810 -2.043 -6.431 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.419 -4.447 -3.511 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.618 -6.034 -6.745 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.241 -6.213 -4.217 1.00 0.00 H new ATOM 797 N LYS A 52 -10.147 -1.314 -7.190 1.00 0.00 N ATOM 798 CA LYS A 52 -9.063 -0.290 -7.191 1.00 0.00 C ATOM 799 C LYS A 52 -9.391 0.802 -6.172 1.00 0.00 C ATOM 800 O LYS A 52 -10.538 1.163 -5.985 1.00 0.00 O ATOM 801 CB LYS A 52 -8.942 0.330 -8.586 1.00 0.00 C ATOM 802 CG LYS A 52 -10.309 0.842 -9.044 1.00 0.00 C ATOM 803 CD LYS A 52 -10.120 1.933 -10.100 1.00 0.00 C ATOM 804 CE LYS A 52 -11.469 2.269 -10.740 1.00 0.00 C ATOM 805 NZ LYS A 52 -11.632 1.482 -11.995 1.00 0.00 N ATOM 0 H LYS A 52 -10.972 -1.070 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.118 -0.764 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.223 1.149 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.565 -0.410 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.897 0.021 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.864 1.237 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.691 2.825 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.418 1.597 -10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.279 2.041 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.525 3.336 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.548 1.709 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.865 1.720 -12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.596 0.466 -11.775 1.00 0.00 H new ATOM 819 N ILE A 53 -8.391 1.329 -5.511 1.00 0.00 N ATOM 820 CA ILE A 53 -8.635 2.398 -4.500 1.00 0.00 C ATOM 821 C ILE A 53 -8.934 3.717 -5.218 1.00 0.00 C ATOM 822 O ILE A 53 -8.059 4.322 -5.808 1.00 0.00 O ATOM 823 CB ILE A 53 -7.395 2.565 -3.621 1.00 0.00 C ATOM 824 CG1 ILE A 53 -6.999 1.207 -3.033 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.703 3.540 -2.483 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.673 1.342 -2.281 1.00 0.00 C ATOM 0 H ILE A 53 -7.414 1.063 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.485 2.121 -3.876 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.574 2.955 -4.223 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.777 0.850 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.904 0.468 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.819 3.659 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.986 4.507 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.524 3.150 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.392 0.375 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.897 1.679 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.784 2.067 -1.475 1.00 0.00 H new ATOM 838 N LYS A 54 -10.163 4.162 -5.169 1.00 0.00 N ATOM 839 CA LYS A 54 -10.530 5.440 -5.847 1.00 0.00 C ATOM 840 C LYS A 54 -9.921 6.618 -5.083 1.00 0.00 C ATOM 841 O LYS A 54 -9.334 7.509 -5.667 1.00 0.00 O ATOM 842 CB LYS A 54 -12.055 5.583 -5.874 1.00 0.00 C ATOM 843 CG LYS A 54 -12.482 6.275 -7.170 1.00 0.00 C ATOM 844 CD LYS A 54 -14.006 6.411 -7.198 1.00 0.00 C ATOM 845 CE LYS A 54 -14.494 6.387 -8.648 1.00 0.00 C ATOM 846 NZ LYS A 54 -15.757 7.168 -8.758 1.00 0.00 N ATOM 0 H LYS A 54 -10.930 3.693 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.147 5.433 -6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.524 4.602 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.392 6.161 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.017 7.258 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.142 5.700 -8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.465 5.598 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.308 7.341 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.734 6.809 -9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.660 5.359 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.090 7.153 -9.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.481 6.747 -8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.584 8.151 -8.466 1.00 0.00 H new ATOM 860 N SER A 55 -10.056 6.626 -3.781 1.00 0.00 N ATOM 861 CA SER A 55 -9.489 7.742 -2.970 1.00 0.00 C ATOM 862 C SER A 55 -8.787 7.172 -1.735 1.00 0.00 C ATOM 863 O SER A 55 -8.851 5.987 -1.468 1.00 0.00 O ATOM 864 CB SER A 55 -10.617 8.675 -2.529 1.00 0.00 C ATOM 865 OG SER A 55 -11.817 7.928 -2.388 1.00 0.00 O ATOM 0 H SER A 55 -10.537 5.904 -3.244 1.00 0.00 H new ATOM 0 HA SER A 55 -8.770 8.298 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.360 9.153 -1.584 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.754 9.470 -3.262 1.00 0.00 H new ATOM 0 HG SER A 55 -12.542 8.523 -2.104 1.00 0.00 H new ATOM 871 N GLY A 56 -8.120 8.009 -0.983 1.00 0.00 N ATOM 872 CA GLY A 56 -7.408 7.528 0.239 1.00 0.00 C ATOM 873 C GLY A 56 -8.416 6.921 1.220 1.00 0.00 C ATOM 874 O GLY A 56 -8.085 6.045 1.998 1.00 0.00 O ATOM 0 H GLY A 56 -8.037 9.009 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.659 6.785 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.879 8.355 0.712 1.00 0.00 H new ATOM 878 N ALA A 57 -9.642 7.382 1.189 1.00 0.00 N ATOM 879 CA ALA A 57 -10.677 6.837 2.116 1.00 0.00 C ATOM 880 C ALA A 57 -10.893 5.350 1.829 1.00 0.00 C ATOM 881 O ALA A 57 -11.221 4.581 2.713 1.00 0.00 O ATOM 882 CB ALA A 57 -11.992 7.592 1.910 1.00 0.00 C ATOM 0 H ALA A 57 -9.970 8.114 0.559 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.342 6.961 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.749 7.195 2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.840 8.651 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.325 7.468 0.880 1.00 0.00 H new ATOM 888 N GLU A 58 -10.711 4.942 0.599 1.00 0.00 N ATOM 889 CA GLU A 58 -10.904 3.505 0.244 1.00 0.00 C ATOM 890 C GLU A 58 -9.726 2.676 0.770 1.00 0.00 C ATOM 891 O GLU A 58 -9.851 1.486 0.993 1.00 0.00 O ATOM 892 CB GLU A 58 -10.991 3.362 -1.278 1.00 0.00 C ATOM 893 CG GLU A 58 -12.015 2.280 -1.632 1.00 0.00 C ATOM 894 CD GLU A 58 -12.136 2.168 -3.153 1.00 0.00 C ATOM 895 OE1 GLU A 58 -12.821 2.993 -3.735 1.00 0.00 O ATOM 896 OE2 GLU A 58 -11.542 1.259 -3.709 1.00 0.00 O ATOM 0 H GLU A 58 -10.436 5.545 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.827 3.144 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.280 4.312 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.014 3.101 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.709 1.323 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.984 2.525 -1.197 1.00 0.00 H new ATOM 903 N ALA A 59 -8.587 3.292 0.969 1.00 0.00 N ATOM 904 CA ALA A 59 -7.403 2.540 1.481 1.00 0.00 C ATOM 905 C ALA A 59 -7.455 2.480 3.010 1.00 0.00 C ATOM 906 O ALA A 59 -6.964 1.547 3.618 1.00 0.00 O ATOM 907 CB ALA A 59 -6.121 3.250 1.041 1.00 0.00 C ATOM 0 H ALA A 59 -8.427 4.285 0.798 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.415 1.527 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.255 2.702 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.083 3.291 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.110 4.263 1.443 1.00 0.00 H new ATOM 913 N LYS A 60 -8.045 3.469 3.633 1.00 0.00 N ATOM 914 CA LYS A 60 -8.130 3.479 5.124 1.00 0.00 C ATOM 915 C LYS A 60 -9.210 2.497 5.584 1.00 0.00 C ATOM 916 O LYS A 60 -9.052 1.810 6.576 1.00 0.00 O ATOM 917 CB LYS A 60 -8.487 4.888 5.603 1.00 0.00 C ATOM 918 CG LYS A 60 -7.916 5.111 7.006 1.00 0.00 C ATOM 919 CD LYS A 60 -8.191 6.549 7.446 1.00 0.00 C ATOM 920 CE LYS A 60 -7.812 6.715 8.918 1.00 0.00 C ATOM 921 NZ LYS A 60 -8.118 8.106 9.358 1.00 0.00 N ATOM 0 H LYS A 60 -8.472 4.272 3.171 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.169 3.182 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.086 5.631 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.569 5.016 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.368 4.412 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.843 4.917 7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.618 7.244 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.244 6.789 7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.363 6.000 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.752 6.503 9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.860 8.218 10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.574 8.780 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.134 8.292 9.240 1.00 0.00 H new ATOM 935 N LYS A 61 -10.307 2.427 4.871 1.00 0.00 N ATOM 936 CA LYS A 61 -11.405 1.492 5.262 1.00 0.00 C ATOM 937 C LYS A 61 -10.892 0.046 5.256 1.00 0.00 C ATOM 938 O LYS A 61 -11.441 -0.816 5.918 1.00 0.00 O ATOM 939 CB LYS A 61 -12.569 1.627 4.272 1.00 0.00 C ATOM 940 CG LYS A 61 -12.093 1.289 2.854 1.00 0.00 C ATOM 941 CD LYS A 61 -13.295 1.256 1.907 1.00 0.00 C ATOM 942 CE LYS A 61 -13.067 0.199 0.824 1.00 0.00 C ATOM 943 NZ LYS A 61 -13.742 -1.069 1.219 1.00 0.00 N ATOM 0 H LYS A 61 -10.489 2.979 4.033 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.747 1.744 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.382 0.960 4.560 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.965 2.642 4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.370 2.031 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.586 0.324 2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.204 1.030 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.437 2.235 1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.459 0.550 -0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.999 0.028 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.387 -1.849 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.542 -1.272 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.769 -0.973 1.083 1.00 0.00 H new ATOM 957 N LEU A 62 -9.850 -0.227 4.508 1.00 0.00 N ATOM 958 CA LEU A 62 -9.306 -1.615 4.449 1.00 0.00 C ATOM 959 C LEU A 62 -8.848 -2.049 5.856 1.00 0.00 C ATOM 960 O LEU A 62 -8.295 -1.248 6.586 1.00 0.00 O ATOM 961 CB LEU A 62 -8.112 -1.658 3.490 1.00 0.00 C ATOM 962 CG LEU A 62 -8.541 -1.182 2.097 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.301 -0.990 1.221 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.466 -2.222 1.453 1.00 0.00 C ATOM 0 H LEU A 62 -9.353 0.455 3.935 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.082 -2.292 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.309 -1.026 3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.718 -2.673 3.431 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.075 -0.236 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.604 -0.652 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.647 -0.245 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.767 -1.936 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.767 -1.878 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.938 -3.171 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.351 -2.357 2.075 1.00 0.00 H new ATOM 976 N PRO A 63 -9.081 -3.302 6.208 1.00 0.00 N ATOM 977 CA PRO A 63 -8.692 -3.859 7.544 1.00 0.00 C ATOM 978 C PRO A 63 -7.203 -4.204 7.559 1.00 0.00 C ATOM 979 O PRO A 63 -6.767 -5.154 6.935 1.00 0.00 O ATOM 980 CB PRO A 63 -9.548 -5.110 7.678 1.00 0.00 C ATOM 981 CG PRO A 63 -9.914 -5.557 6.277 1.00 0.00 C ATOM 982 CD PRO A 63 -9.750 -4.350 5.350 1.00 0.00 C ATOM 0 HA PRO A 63 -8.849 -3.159 8.365 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -9.002 -5.895 8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.445 -4.902 8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.271 -6.377 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.939 -5.926 6.248 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.142 -4.598 4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.713 -4.002 4.977 1.00 0.00 H new ATOM 990 N GLY A 64 -6.424 -3.427 8.262 1.00 0.00 N ATOM 991 CA GLY A 64 -4.956 -3.683 8.324 1.00 0.00 C ATOM 992 C GLY A 64 -4.205 -2.382 8.041 1.00 0.00 C ATOM 993 O GLY A 64 -3.102 -2.177 8.515 1.00 0.00 O ATOM 0 H GLY A 64 -6.743 -2.621 8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.683 -4.068 9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.677 -4.444 7.595 1.00 0.00 H new ATOM 997 N VAL A 65 -4.794 -1.499 7.271 1.00 0.00 N ATOM 998 CA VAL A 65 -4.118 -0.207 6.953 1.00 0.00 C ATOM 999 C VAL A 65 -4.494 0.836 8.008 1.00 0.00 C ATOM 1000 O VAL A 65 -5.633 0.929 8.422 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.566 0.279 5.574 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.757 1.517 5.181 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.337 -0.827 4.542 1.00 0.00 C ATOM 0 H VAL A 65 -5.715 -1.620 6.850 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.038 -0.353 6.952 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.626 0.532 5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.076 1.863 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.920 2.306 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.697 1.264 5.150 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.657 -0.480 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.278 -1.081 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.914 -1.709 4.820 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.540 1.620 8.442 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.829 2.662 9.470 1.00 0.00 C ATOM 1015 C GLY A 66 -3.772 4.047 8.825 1.00 0.00 C ATOM 1016 O GLY A 66 -4.267 4.252 7.733 1.00 0.00 O ATOM 0 H GLY A 66 -2.571 1.582 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.813 2.493 9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.104 2.597 10.282 1.00 0.00 H new ATOM 1020 N THR A 67 -3.169 4.997 9.494 1.00 0.00 N ATOM 1021 CA THR A 67 -3.074 6.376 8.926 1.00 0.00 C ATOM 1022 C THR A 67 -1.696 6.577 8.286 1.00 0.00 C ATOM 1023 O THR A 67 -1.539 7.374 7.380 1.00 0.00 O ATOM 1024 CB THR A 67 -3.279 7.407 10.040 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.011 8.707 9.532 1.00 0.00 O ATOM 1026 CG2 THR A 67 -2.332 7.110 11.206 1.00 0.00 C ATOM 0 H THR A 67 -2.738 4.877 10.410 1.00 0.00 H new ATOM 0 HA THR A 67 -3.846 6.506 8.167 1.00 0.00 H new ATOM 0 HB THR A 67 -4.309 7.355 10.394 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.143 9.369 10.242 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.483 7.847 11.995 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.537 6.113 11.597 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.300 7.158 10.858 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.700 5.864 8.750 1.00 0.00 N ATOM 1035 CA LYS A 68 0.667 6.013 8.172 1.00 0.00 C ATOM 1036 C LYS A 68 0.689 5.433 6.756 1.00 0.00 C ATOM 1037 O LYS A 68 0.888 6.144 5.788 1.00 0.00 O ATOM 1038 CB LYS A 68 1.675 5.262 9.046 1.00 0.00 C ATOM 1039 CG LYS A 68 3.086 5.776 8.755 1.00 0.00 C ATOM 1040 CD LYS A 68 3.402 6.954 9.679 1.00 0.00 C ATOM 1041 CE LYS A 68 4.916 7.167 9.735 1.00 0.00 C ATOM 1042 NZ LYS A 68 5.348 7.968 8.553 1.00 0.00 N ATOM 0 H LYS A 68 -0.777 5.184 9.506 1.00 0.00 H new ATOM 0 HA LYS A 68 0.933 7.070 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.435 5.404 10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.618 4.192 8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.813 4.978 8.905 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.163 6.087 7.713 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.910 7.857 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.014 6.760 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.188 7.682 10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.429 6.206 9.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.377 8.114 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.101 7.459 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.867 8.890 8.564 1.00 0.00 H new ATOM 1056 N ILE A 69 0.488 4.146 6.630 1.00 0.00 N ATOM 1057 CA ILE A 69 0.497 3.508 5.280 1.00 0.00 C ATOM 1058 C ILE A 69 -0.619 4.104 4.417 1.00 0.00 C ATOM 1059 O ILE A 69 -0.414 4.426 3.263 1.00 0.00 O ATOM 1060 CB ILE A 69 0.276 2.000 5.433 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.350 1.417 6.366 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.352 1.316 4.061 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.751 1.624 5.769 1.00 0.00 C ATOM 0 H ILE A 69 0.317 3.508 7.407 1.00 0.00 H new ATOM 0 HA ILE A 69 1.458 3.692 4.799 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.711 1.823 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.290 1.896 7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.168 0.354 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.194 0.244 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.417 1.726 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.334 1.491 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.499 1.205 6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.812 1.124 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.937 2.690 5.638 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.799 4.248 4.968 1.00 0.00 N ATOM 1076 CA ALA A 70 -2.937 4.819 4.182 1.00 0.00 C ATOM 1077 C ALA A 70 -2.563 6.210 3.662 1.00 0.00 C ATOM 1078 O ALA A 70 -2.963 6.604 2.582 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.173 4.922 5.075 1.00 0.00 C ATOM 0 H ALA A 70 -2.024 3.994 5.930 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.152 4.166 3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.002 5.338 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.444 3.930 5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.956 5.571 5.923 1.00 0.00 H new ATOM 1085 N GLU A 71 -1.793 6.952 4.420 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.381 8.312 3.979 1.00 0.00 C ATOM 1087 C GLU A 71 -0.583 8.202 2.677 1.00 0.00 C ATOM 1088 O GLU A 71 -0.781 8.964 1.749 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.512 8.959 5.059 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.386 9.821 5.972 1.00 0.00 C ATOM 1091 CD GLU A 71 -1.689 11.152 5.281 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -2.455 11.142 4.332 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -1.150 12.158 5.712 1.00 0.00 O ATOM 0 H GLU A 71 -1.432 6.668 5.331 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.267 8.926 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.007 8.190 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.264 9.570 4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.315 9.299 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.877 9.999 6.919 1.00 0.00 H new ATOM 1100 N LYS A 72 0.314 7.251 2.605 1.00 0.00 N ATOM 1101 CA LYS A 72 1.129 7.072 1.368 1.00 0.00 C ATOM 1102 C LYS A 72 0.206 6.704 0.204 1.00 0.00 C ATOM 1103 O LYS A 72 0.483 7.018 -0.939 1.00 0.00 O ATOM 1104 CB LYS A 72 2.148 5.953 1.586 1.00 0.00 C ATOM 1105 CG LYS A 72 3.109 6.347 2.710 1.00 0.00 C ATOM 1106 CD LYS A 72 4.322 7.066 2.116 1.00 0.00 C ATOM 1107 CE LYS A 72 4.826 8.119 3.104 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.282 8.349 2.888 1.00 0.00 N ATOM 0 H LYS A 72 0.517 6.589 3.354 1.00 0.00 H new ATOM 0 HA LYS A 72 1.654 7.999 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.636 5.025 1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.704 5.769 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.603 6.995 3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.430 5.460 3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.113 6.348 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.052 7.538 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.276 9.051 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.647 7.788 4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.624 9.065 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.800 7.459 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.440 8.683 1.916 1.00 0.00 H new ATOM 1122 N ILE A 73 -0.891 6.044 0.488 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.841 5.657 -0.597 1.00 0.00 C ATOM 1124 C ILE A 73 -2.401 6.924 -1.248 1.00 0.00 C ATOM 1125 O ILE A 73 -2.449 7.040 -2.457 1.00 0.00 O ATOM 1126 CB ILE A 73 -2.989 4.830 -0.003 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.425 3.614 0.751 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.917 4.352 -1.125 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.611 2.725 -0.199 1.00 0.00 C ATOM 0 H ILE A 73 -1.168 5.757 1.427 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.321 5.060 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.552 5.453 0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.795 3.949 1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.241 3.038 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.731 3.765 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.328 5.215 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.353 3.736 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.219 1.869 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.252 2.374 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.783 3.299 -0.615 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.818 7.877 -0.451 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.373 9.151 -1.009 1.00 0.00 C ATOM 1143 C ASP A 74 -2.350 9.788 -1.954 1.00 0.00 C ATOM 1144 O ASP A 74 -2.696 10.289 -3.007 1.00 0.00 O ATOM 1145 CB ASP A 74 -3.681 10.118 0.136 1.00 0.00 C ATOM 1146 CG ASP A 74 -4.905 10.963 -0.222 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.838 10.411 -0.781 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -4.888 12.148 0.068 1.00 0.00 O ATOM 0 H ASP A 74 -2.798 7.827 0.568 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.288 8.935 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.866 9.562 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.822 10.763 0.321 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.092 9.758 -1.589 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.039 10.343 -2.470 1.00 0.00 C ATOM 1155 C GLU A 75 0.006 9.557 -3.784 1.00 0.00 C ATOM 1156 O GLU A 75 0.354 10.084 -4.823 1.00 0.00 O ATOM 1157 CB GLU A 75 1.319 10.254 -1.772 1.00 0.00 C ATOM 1158 CG GLU A 75 2.171 11.467 -2.154 1.00 0.00 C ATOM 1159 CD GLU A 75 3.649 11.149 -1.917 1.00 0.00 C ATOM 1160 OE1 GLU A 75 4.163 10.278 -2.600 1.00 0.00 O ATOM 1161 OE2 GLU A 75 4.240 11.780 -1.057 1.00 0.00 O ATOM 0 H GLU A 75 -0.750 9.353 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.269 11.389 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.182 10.218 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.828 9.334 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.007 11.725 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.875 12.333 -1.562 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.350 8.298 -3.740 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.345 7.461 -4.974 1.00 0.00 C ATOM 1170 C PHE A 76 -1.481 7.905 -5.891 1.00 0.00 C ATOM 1171 O PHE A 76 -1.286 8.171 -7.062 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.559 5.991 -4.583 1.00 0.00 C ATOM 1173 CG PHE A 76 0.707 5.210 -4.813 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.721 5.230 -3.853 1.00 0.00 C ATOM 1175 CD2 PHE A 76 0.864 4.470 -5.988 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.899 4.505 -4.065 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.041 3.743 -6.203 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.059 3.760 -5.242 1.00 0.00 C ATOM 0 H PHE A 76 -0.646 7.812 -2.894 1.00 0.00 H new ATOM 0 HA PHE A 76 0.608 7.573 -5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.853 5.923 -3.536 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.372 5.564 -5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.596 5.805 -2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.079 4.459 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.684 4.519 -3.323 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.164 3.169 -7.110 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.967 3.199 -5.407 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.668 7.967 -5.359 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.845 8.370 -6.175 1.00 0.00 C ATOM 1190 C LEU A 77 -3.788 9.872 -6.471 1.00 0.00 C ATOM 1191 O LEU A 77 -4.338 10.336 -7.452 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.126 8.047 -5.396 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.421 6.534 -5.406 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.475 6.004 -6.842 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.333 5.789 -4.630 1.00 0.00 C ATOM 0 H LEU A 77 -2.875 7.753 -4.383 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.837 7.825 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.026 8.393 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.966 8.586 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.389 6.368 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.684 4.934 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.262 6.520 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.517 6.180 -7.331 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.546 4.720 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.365 5.970 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.312 6.145 -3.600 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.131 10.636 -5.633 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.042 12.109 -5.866 1.00 0.00 C ATOM 1209 C ALA A 78 -2.317 12.377 -7.191 1.00 0.00 C ATOM 1210 O ALA A 78 -2.938 12.657 -8.199 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.275 12.763 -4.712 1.00 0.00 C ATOM 0 H ALA A 78 -2.652 10.301 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.046 12.531 -5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.210 13.838 -4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.798 12.575 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.271 12.343 -4.658 1.00 0.00 H new ATOM 1217 N THR A 79 -1.010 12.292 -7.195 1.00 0.00 N ATOM 1218 CA THR A 79 -0.241 12.538 -8.451 1.00 0.00 C ATOM 1219 C THR A 79 0.255 11.204 -9.014 1.00 0.00 C ATOM 1220 O THR A 79 -0.050 10.844 -10.134 1.00 0.00 O ATOM 1221 CB THR A 79 0.958 13.442 -8.150 1.00 0.00 C ATOM 1222 OG1 THR A 79 1.359 13.264 -6.798 1.00 0.00 O ATOM 1223 CG2 THR A 79 0.570 14.903 -8.383 1.00 0.00 C ATOM 0 H THR A 79 -0.442 12.062 -6.380 1.00 0.00 H new ATOM 0 HA THR A 79 -0.887 13.025 -9.182 1.00 0.00 H new ATOM 0 HB THR A 79 1.785 13.179 -8.810 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.127 13.841 -6.606 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.424 15.545 -8.168 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.267 15.038 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.258 15.169 -7.726 1.00 0.00 H new