USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 SER OG : rot -92:sc= 0.0829 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -4.98! C(o=-5!,f=-7.7!) USER MOD Single : A 19 ASN : amide:sc= -0.0449 K(o=-0.045,f=-0.55) USER MOD Single : A 22 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 36 SER OG : rot 25:sc= 0.156 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.933 K(o=-0.93,f=-2) USER MOD Single : A 44 TYR OH : rot 152:sc= 0.939 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 51 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.593) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.508 USER MOD Single : A 60 SER OG : rot -103:sc= 0.843 USER MOD Single : A 62 MET CE :methyl -176:sc= -0.143 (180deg=-0.147) USER MOD Single : A 63 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.5) USER MOD Single : A 67 SER OG : rot 96:sc= 0.0275 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0831 X(o=-0.083,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.345 K(o=-0.35,f=-3.2) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= -2.08! (180deg=-3.61!) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= -0.059 (180deg=-0.343) USER MOD Single : A 89 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.666 -5.155 8.519 1.00 2.10 N ATOM 195 CA ARG A 13 9.395 -4.457 8.673 1.00 23.31 C ATOM 196 C ARG A 13 9.113 -3.569 7.465 1.00 44.33 C ATOM 197 O ARG A 13 7.958 -3.320 7.121 1.00 50.53 O ATOM 198 CB ARG A 13 9.403 -3.613 9.949 1.00 62.14 C ATOM 199 CG ARG A 13 10.575 -2.649 10.034 1.00 22.41 C ATOM 200 CD ARG A 13 11.347 -2.823 11.333 1.00 52.22 C ATOM 201 NE ARG A 13 12.625 -2.116 11.309 1.00 75.34 N ATOM 202 CZ ARG A 13 13.443 -2.041 12.352 1.00 22.23 C ATOM 203 NH1 ARG A 13 13.118 -2.628 13.496 1.00 4.12 N ATOM 204 NH2 ARG A 13 14.589 -1.379 12.254 1.00 54.04 N ATOM 0 HA ARG A 13 8.605 -5.205 8.745 1.00 23.31 H new ATOM 0 HB2 ARG A 13 8.473 -3.047 10.006 1.00 62.14 H new ATOM 0 HB3 ARG A 13 9.426 -4.277 10.813 1.00 62.14 H new ATOM 0 HG2 ARG A 13 11.243 -2.811 9.188 1.00 22.41 H new ATOM 0 HG3 ARG A 13 10.211 -1.624 9.961 1.00 22.41 H new ATOM 0 HD2 ARG A 13 10.745 -2.456 12.164 1.00 52.22 H new ATOM 0 HD3 ARG A 13 11.523 -3.884 11.511 1.00 52.22 H new ATOM 0 HE ARG A 13 12.904 -1.655 10.443 1.00 75.34 H new ATOM 0 HH11 ARG A 13 12.238 -3.138 13.576 1.00 4.12 H new ATOM 0 HH12 ARG A 13 13.748 -2.569 14.296 1.00 4.12 H new ATOM 0 HH21 ARG A 13 14.843 -0.926 11.376 1.00 54.04 H new ATOM 0 HH22 ARG A 13 15.216 -1.323 13.057 1.00 54.04 H new ATOM 218 N SER A 14 10.177 -3.093 6.826 1.00 54.11 N ATOM 219 CA SER A 14 10.044 -2.228 5.659 1.00 61.40 C ATOM 220 C SER A 14 9.393 -2.977 4.499 1.00 3.54 C ATOM 221 O SER A 14 8.485 -2.464 3.848 1.00 32.04 O ATOM 222 CB SER A 14 11.415 -1.697 5.234 1.00 74.04 C ATOM 223 OG SER A 14 12.433 -2.648 5.491 1.00 1.30 O ATOM 0 H SER A 14 11.140 -3.291 7.096 1.00 54.11 H new ATOM 0 HA SER A 14 9.405 -1.388 5.930 1.00 61.40 H new ATOM 0 HB2 SER A 14 11.401 -1.453 4.172 1.00 74.04 H new ATOM 0 HB3 SER A 14 11.633 -0.773 5.770 1.00 74.04 H new ATOM 0 HG SER A 14 12.814 -2.488 6.380 1.00 1.30 H new ATOM 229 N ASN A 15 9.867 -4.192 4.248 1.00 24.53 N ATOM 230 CA ASN A 15 9.333 -5.012 3.167 1.00 62.20 C ATOM 231 C ASN A 15 7.934 -5.517 3.508 1.00 52.13 C ATOM 232 O ASN A 15 7.224 -6.034 2.646 1.00 71.40 O ATOM 233 CB ASN A 15 10.261 -6.197 2.892 1.00 61.14 C ATOM 234 CG ASN A 15 11.297 -5.885 1.829 1.00 52.00 C ATOM 235 OD1 ASN A 15 11.251 -6.424 0.724 1.00 40.33 O ATOM 236 ND2 ASN A 15 12.239 -5.009 2.162 1.00 54.11 N ATOM 0 H ASN A 15 10.620 -4.631 4.778 1.00 24.53 H new ATOM 0 HA ASN A 15 9.269 -4.393 2.272 1.00 62.20 H new ATOM 0 HB2 ASN A 15 10.766 -6.482 3.815 1.00 61.14 H new ATOM 0 HB3 ASN A 15 9.667 -7.055 2.576 1.00 61.14 H new ATOM 0 HD21 ASN A 15 12.963 -4.759 1.489 1.00 54.11 H new ATOM 0 HD22 ASN A 15 12.238 -4.587 3.091 1.00 54.11 H new ATOM 243 N GLN A 16 7.544 -5.361 4.769 1.00 4.42 N ATOM 244 CA GLN A 16 6.231 -5.800 5.223 1.00 31.23 C ATOM 245 C GLN A 16 5.123 -5.103 4.441 1.00 40.41 C ATOM 246 O GLN A 16 4.295 -5.753 3.804 1.00 2.32 O ATOM 247 CB GLN A 16 6.066 -5.526 6.719 1.00 11.53 C ATOM 248 CG GLN A 16 5.238 -6.575 7.443 1.00 54.41 C ATOM 249 CD GLN A 16 3.769 -6.209 7.517 1.00 22.15 C ATOM 250 OE1 GLN A 16 3.414 -5.093 7.898 1.00 74.13 O ATOM 251 NE2 GLN A 16 2.905 -7.150 7.154 1.00 61.01 N ATOM 0 H GLN A 16 8.120 -4.933 5.494 1.00 4.42 H new ATOM 0 HA GLN A 16 6.155 -6.873 5.047 1.00 31.23 H new ATOM 0 HB2 GLN A 16 7.052 -5.472 7.181 1.00 11.53 H new ATOM 0 HB3 GLN A 16 5.598 -4.551 6.852 1.00 11.53 H new ATOM 0 HG2 GLN A 16 5.345 -7.532 6.933 1.00 54.41 H new ATOM 0 HG3 GLN A 16 5.627 -6.706 8.453 1.00 54.41 H new ATOM 0 HE21 GLN A 16 3.243 -8.061 6.845 1.00 61.01 H new ATOM 0 HE22 GLN A 16 1.903 -6.962 7.185 1.00 61.01 H new ATOM 260 N ALA A 17 5.115 -3.775 4.494 1.00 14.44 N ATOM 261 CA ALA A 17 4.110 -2.988 3.790 1.00 55.45 C ATOM 262 C ALA A 17 4.016 -3.403 2.325 1.00 13.42 C ATOM 263 O ALA A 17 2.921 -3.579 1.790 1.00 4.25 O ATOM 264 CB ALA A 17 4.428 -1.504 3.901 1.00 53.35 C ATOM 0 H ALA A 17 5.793 -3.222 5.017 1.00 14.44 H new ATOM 0 HA ALA A 17 3.143 -3.177 4.257 1.00 55.45 H new ATOM 0 HB1 ALA A 17 3.669 -0.929 3.371 1.00 53.35 H new ATOM 0 HB2 ALA A 17 4.437 -1.211 4.951 1.00 53.35 H new ATOM 0 HB3 ALA A 17 5.406 -1.307 3.461 1.00 53.35 H new ATOM 270 N GLU A 18 5.169 -3.558 1.683 1.00 4.50 N ATOM 271 CA GLU A 18 5.215 -3.950 0.280 1.00 74.24 C ATOM 272 C GLU A 18 4.433 -5.240 0.050 1.00 32.15 C ATOM 273 O GLU A 18 3.640 -5.340 -0.885 1.00 55.41 O ATOM 274 CB GLU A 18 6.665 -4.133 -0.175 1.00 13.35 C ATOM 275 CG GLU A 18 6.797 -4.577 -1.622 1.00 25.02 C ATOM 276 CD GLU A 18 7.721 -5.770 -1.783 1.00 11.43 C ATOM 277 OE1 GLU A 18 8.951 -5.582 -1.688 1.00 65.31 O ATOM 278 OE2 GLU A 18 7.212 -6.888 -2.005 1.00 23.41 O ATOM 0 H GLU A 18 6.084 -3.418 2.112 1.00 4.50 H new ATOM 0 HA GLU A 18 4.755 -3.156 -0.307 1.00 74.24 H new ATOM 0 HB2 GLU A 18 7.200 -3.193 -0.042 1.00 13.35 H new ATOM 0 HB3 GLU A 18 7.149 -4.869 0.468 1.00 13.35 H new ATOM 0 HG2 GLU A 18 5.811 -4.830 -2.012 1.00 25.02 H new ATOM 0 HG3 GLU A 18 7.173 -3.747 -2.220 1.00 25.02 H new ATOM 285 N ASN A 19 4.663 -6.227 0.911 1.00 10.21 N ATOM 286 CA ASN A 19 3.981 -7.511 0.802 1.00 51.32 C ATOM 287 C ASN A 19 2.478 -7.348 1.007 1.00 72.20 C ATOM 288 O ASN A 19 1.676 -7.974 0.313 1.00 11.21 O ATOM 289 CB ASN A 19 4.542 -8.499 1.827 1.00 5.22 C ATOM 290 CG ASN A 19 3.641 -9.702 2.025 1.00 42.34 C ATOM 291 OD1 ASN A 19 3.087 -10.241 1.066 1.00 14.43 O ATOM 292 ND2 ASN A 19 3.490 -10.130 3.273 1.00 41.41 N ATOM 0 H ASN A 19 5.316 -6.162 1.691 1.00 10.21 H new ATOM 0 HA ASN A 19 4.153 -7.901 -0.201 1.00 51.32 H new ATOM 0 HB2 ASN A 19 5.526 -8.836 1.502 1.00 5.22 H new ATOM 0 HB3 ASN A 19 4.678 -7.990 2.781 1.00 5.22 H new ATOM 0 HD21 ASN A 19 2.896 -10.936 3.467 1.00 41.41 H new ATOM 0 HD22 ASN A 19 3.968 -9.653 4.037 1.00 41.41 H new ATOM 299 N ILE A 20 2.105 -6.503 1.963 1.00 61.43 N ATOM 300 CA ILE A 20 0.698 -6.258 2.257 1.00 42.32 C ATOM 301 C ILE A 20 -0.029 -5.701 1.038 1.00 15.10 C ATOM 302 O ILE A 20 -1.012 -6.279 0.572 1.00 3.21 O ATOM 303 CB ILE A 20 0.533 -5.276 3.432 1.00 44.33 C ATOM 304 CG1 ILE A 20 1.217 -5.826 4.686 1.00 41.23 C ATOM 305 CG2 ILE A 20 -0.941 -5.012 3.699 1.00 74.31 C ATOM 306 CD1 ILE A 20 1.527 -4.766 5.719 1.00 33.45 C ATOM 0 H ILE A 20 2.756 -5.977 2.546 1.00 61.43 H new ATOM 0 HA ILE A 20 0.260 -7.218 2.531 1.00 42.32 H new ATOM 0 HB ILE A 20 1.009 -4.332 3.166 1.00 44.33 H new ATOM 0 HG12 ILE A 20 0.577 -6.584 5.136 1.00 41.23 H new ATOM 0 HG13 ILE A 20 2.144 -6.322 4.397 1.00 41.23 H new ATOM 0 HG21 ILE A 20 -1.041 -4.316 4.532 1.00 74.31 H new ATOM 0 HG22 ILE A 20 -1.400 -4.581 2.809 1.00 74.31 H new ATOM 0 HG23 ILE A 20 -1.439 -5.949 3.947 1.00 74.31 H new ATOM 0 HD11 ILE A 20 2.011 -5.227 6.580 1.00 33.45 H new ATOM 0 HD12 ILE A 20 2.193 -4.019 5.286 1.00 33.45 H new ATOM 0 HD13 ILE A 20 0.601 -4.286 6.037 1.00 33.45 H new ATOM 318 N ILE A 21 0.461 -4.577 0.526 1.00 54.04 N ATOM 319 CA ILE A 21 -0.142 -3.944 -0.641 1.00 62.31 C ATOM 320 C ILE A 21 -0.337 -4.950 -1.772 1.00 11.33 C ATOM 321 O ILE A 21 -1.386 -4.981 -2.416 1.00 52.31 O ATOM 322 CB ILE A 21 0.718 -2.773 -1.153 1.00 65.54 C ATOM 323 CG1 ILE A 21 0.900 -1.727 -0.053 1.00 2.23 C ATOM 324 CG2 ILE A 21 0.082 -2.149 -2.386 1.00 52.13 C ATOM 325 CD1 ILE A 21 1.939 -0.678 -0.382 1.00 61.03 C ATOM 0 H ILE A 21 1.273 -4.086 0.900 1.00 54.04 H new ATOM 0 HA ILE A 21 -1.113 -3.561 -0.327 1.00 62.31 H new ATOM 0 HB ILE A 21 1.700 -3.156 -1.430 1.00 65.54 H new ATOM 0 HG12 ILE A 21 -0.055 -1.235 0.131 1.00 2.23 H new ATOM 0 HG13 ILE A 21 1.183 -2.230 0.872 1.00 2.23 H new ATOM 0 HG21 ILE A 21 0.701 -1.323 -2.736 1.00 52.13 H new ATOM 0 HG22 ILE A 21 -0.000 -2.899 -3.172 1.00 52.13 H new ATOM 0 HG23 ILE A 21 -0.911 -1.777 -2.134 1.00 52.13 H new ATOM 0 HD11 ILE A 21 2.015 0.031 0.443 1.00 61.03 H new ATOM 0 HD12 ILE A 21 2.905 -1.159 -0.537 1.00 61.03 H new ATOM 0 HD13 ILE A 21 1.647 -0.149 -1.289 1.00 61.03 H new ATOM 337 N THR A 22 0.680 -5.772 -2.007 1.00 63.25 N ATOM 338 CA THR A 22 0.621 -6.779 -3.059 1.00 72.34 C ATOM 339 C THR A 22 -0.569 -7.712 -2.861 1.00 74.20 C ATOM 340 O THR A 22 -1.151 -8.205 -3.828 1.00 21.14 O ATOM 341 CB THR A 22 1.912 -7.617 -3.109 1.00 32.13 C ATOM 342 OG1 THR A 22 3.055 -6.758 -3.032 1.00 64.22 O ATOM 343 CG2 THR A 22 1.975 -8.440 -4.387 1.00 34.35 C ATOM 0 H THR A 22 1.555 -5.760 -1.483 1.00 63.25 H new ATOM 0 HA THR A 22 0.508 -6.244 -4.002 1.00 72.34 H new ATOM 0 HB THR A 22 1.911 -8.298 -2.258 1.00 32.13 H new ATOM 0 HG1 THR A 22 3.279 -6.594 -2.092 1.00 64.22 H new ATOM 0 HG21 THR A 22 2.896 -9.023 -4.399 1.00 34.35 H new ATOM 0 HG22 THR A 22 1.119 -9.113 -4.429 1.00 34.35 H new ATOM 0 HG23 THR A 22 1.956 -7.774 -5.250 1.00 34.35 H new ATOM 351 N ASP A 23 -0.926 -7.948 -1.604 1.00 33.55 N ATOM 352 CA ASP A 23 -2.049 -8.821 -1.279 1.00 3.50 C ATOM 353 C ASP A 23 -3.321 -8.353 -1.978 1.00 12.22 C ATOM 354 O ASP A 23 -3.849 -9.038 -2.854 1.00 53.41 O ATOM 355 CB ASP A 23 -2.268 -8.862 0.234 1.00 31.02 C ATOM 356 CG ASP A 23 -2.922 -10.153 0.689 1.00 13.45 C ATOM 357 OD1 ASP A 23 -4.058 -10.429 0.250 1.00 51.22 O ATOM 358 OD2 ASP A 23 -2.298 -10.886 1.483 1.00 3.21 O ATOM 0 H ASP A 23 -0.455 -7.547 -0.793 1.00 33.55 H new ATOM 0 HA ASP A 23 -1.812 -9.825 -1.631 1.00 3.50 H new ATOM 0 HB2 ASP A 23 -1.310 -8.745 0.740 1.00 31.02 H new ATOM 0 HB3 ASP A 23 -2.891 -8.018 0.531 1.00 31.02 H new ATOM 363 N LEU A 24 -3.809 -7.181 -1.584 1.00 31.41 N ATOM 364 CA LEU A 24 -5.021 -6.621 -2.171 1.00 21.10 C ATOM 365 C LEU A 24 -4.956 -6.661 -3.695 1.00 31.51 C ATOM 366 O LEU A 24 -5.955 -6.934 -4.362 1.00 54.13 O ATOM 367 CB LEU A 24 -5.224 -5.182 -1.695 1.00 54.01 C ATOM 368 CG LEU A 24 -5.598 -5.008 -0.223 1.00 35.21 C ATOM 369 CD1 LEU A 24 -5.894 -3.548 0.084 1.00 72.10 C ATOM 370 CD2 LEU A 24 -6.793 -5.882 0.130 1.00 55.20 C ATOM 0 H LEU A 24 -3.384 -6.601 -0.861 1.00 31.41 H new ATOM 0 HA LEU A 24 -5.867 -7.227 -1.846 1.00 21.10 H new ATOM 0 HB2 LEU A 24 -4.306 -4.625 -1.884 1.00 54.01 H new ATOM 0 HB3 LEU A 24 -6.005 -4.726 -2.304 1.00 54.01 H new ATOM 0 HG LEU A 24 -4.751 -5.321 0.387 1.00 35.21 H new ATOM 0 HD11 LEU A 24 -6.158 -3.444 1.136 1.00 72.10 H new ATOM 0 HD12 LEU A 24 -5.012 -2.945 -0.130 1.00 72.10 H new ATOM 0 HD13 LEU A 24 -6.725 -3.207 -0.534 1.00 72.10 H new ATOM 0 HD21 LEU A 24 -7.046 -5.746 1.182 1.00 55.20 H new ATOM 0 HD22 LEU A 24 -7.646 -5.599 -0.488 1.00 55.20 H new ATOM 0 HD23 LEU A 24 -6.545 -6.928 -0.051 1.00 55.20 H new ATOM 382 N LEU A 25 -3.776 -6.390 -4.238 1.00 2.51 N ATOM 383 CA LEU A 25 -3.579 -6.397 -5.684 1.00 2.32 C ATOM 384 C LEU A 25 -3.985 -7.739 -6.282 1.00 61.14 C ATOM 385 O LEU A 25 -4.672 -7.794 -7.302 1.00 1.34 O ATOM 386 CB LEU A 25 -2.117 -6.096 -6.022 1.00 12.04 C ATOM 387 CG LEU A 25 -1.830 -4.700 -6.575 1.00 51.01 C ATOM 388 CD1 LEU A 25 -2.394 -4.557 -7.980 1.00 42.35 C ATOM 389 CD2 LEU A 25 -2.406 -3.631 -5.657 1.00 62.52 C ATOM 0 H LEU A 25 -2.940 -6.162 -3.700 1.00 2.51 H new ATOM 0 HA LEU A 25 -4.212 -5.621 -6.115 1.00 2.32 H new ATOM 0 HB2 LEU A 25 -1.520 -6.238 -5.121 1.00 12.04 H new ATOM 0 HB3 LEU A 25 -1.775 -6.831 -6.750 1.00 12.04 H new ATOM 0 HG LEU A 25 -0.749 -4.565 -6.622 1.00 51.01 H new ATOM 0 HD11 LEU A 25 -2.180 -3.557 -8.358 1.00 42.35 H new ATOM 0 HD12 LEU A 25 -1.934 -5.298 -8.634 1.00 42.35 H new ATOM 0 HD13 LEU A 25 -3.472 -4.713 -7.957 1.00 42.35 H new ATOM 0 HD21 LEU A 25 -2.191 -2.644 -6.068 1.00 62.52 H new ATOM 0 HD22 LEU A 25 -3.485 -3.764 -5.576 1.00 62.52 H new ATOM 0 HD23 LEU A 25 -1.955 -3.719 -4.669 1.00 62.52 H new ATOM 401 N ASP A 26 -3.556 -8.821 -5.640 1.00 40.43 N ATOM 402 CA ASP A 26 -3.878 -10.165 -6.107 1.00 3.31 C ATOM 403 C ASP A 26 -5.385 -10.400 -6.089 1.00 4.44 C ATOM 404 O ASP A 26 -5.983 -10.731 -7.112 1.00 62.54 O ATOM 405 CB ASP A 26 -3.175 -11.210 -5.240 1.00 3.44 C ATOM 406 CG ASP A 26 -3.267 -12.605 -5.825 1.00 62.42 C ATOM 407 OD1 ASP A 26 -2.670 -12.839 -6.897 1.00 50.54 O ATOM 408 OD2 ASP A 26 -3.935 -13.463 -5.212 1.00 71.52 O ATOM 0 H ASP A 26 -2.985 -8.793 -4.795 1.00 40.43 H new ATOM 0 HA ASP A 26 -3.527 -10.261 -7.134 1.00 3.31 H new ATOM 0 HB2 ASP A 26 -2.126 -10.936 -5.125 1.00 3.44 H new ATOM 0 HB3 ASP A 26 -3.616 -11.207 -4.243 1.00 3.44 H new ATOM 413 N ASP A 27 -5.991 -10.227 -4.919 1.00 41.14 N ATOM 414 CA ASP A 27 -7.428 -10.421 -4.768 1.00 31.42 C ATOM 415 C ASP A 27 -8.203 -9.494 -5.699 1.00 51.34 C ATOM 416 O ASP A 27 -9.325 -9.801 -6.107 1.00 4.12 O ATOM 417 CB ASP A 27 -7.848 -10.175 -3.318 1.00 44.42 C ATOM 418 CG ASP A 27 -9.079 -10.969 -2.928 1.00 63.14 C ATOM 419 OD1 ASP A 27 -9.676 -11.613 -3.817 1.00 3.34 O ATOM 420 OD2 ASP A 27 -9.445 -10.948 -1.735 1.00 21.23 O ATOM 0 H ASP A 27 -5.510 -9.953 -4.062 1.00 41.14 H new ATOM 0 HA ASP A 27 -7.660 -11.452 -5.036 1.00 31.42 H new ATOM 0 HB2 ASP A 27 -7.024 -10.439 -2.655 1.00 44.42 H new ATOM 0 HB3 ASP A 27 -8.045 -9.112 -3.175 1.00 44.42 H new ATOM 425 N LEU A 28 -7.599 -8.359 -6.031 1.00 51.44 N ATOM 426 CA LEU A 28 -8.232 -7.385 -6.914 1.00 54.34 C ATOM 427 C LEU A 28 -8.300 -7.911 -8.345 1.00 12.12 C ATOM 428 O LEU A 28 -9.201 -7.556 -9.106 1.00 44.10 O ATOM 429 CB LEU A 28 -7.464 -6.062 -6.881 1.00 13.21 C ATOM 430 CG LEU A 28 -8.065 -4.960 -6.007 1.00 63.11 C ATOM 431 CD1 LEU A 28 -7.186 -3.718 -6.037 1.00 32.55 C ATOM 432 CD2 LEU A 28 -9.478 -4.627 -6.462 1.00 60.54 C ATOM 0 H LEU A 28 -6.672 -8.090 -5.702 1.00 51.44 H new ATOM 0 HA LEU A 28 -9.249 -7.217 -6.559 1.00 54.34 H new ATOM 0 HB2 LEU A 28 -6.450 -6.262 -6.534 1.00 13.21 H new ATOM 0 HB3 LEU A 28 -7.383 -5.686 -7.901 1.00 13.21 H new ATOM 0 HG LEU A 28 -8.113 -5.323 -4.980 1.00 63.11 H new ATOM 0 HD11 LEU A 28 -7.628 -2.944 -5.410 1.00 32.55 H new ATOM 0 HD12 LEU A 28 -6.193 -3.966 -5.662 1.00 32.55 H new ATOM 0 HD13 LEU A 28 -7.106 -3.354 -7.061 1.00 32.55 H new ATOM 0 HD21 LEU A 28 -9.889 -3.841 -5.828 1.00 60.54 H new ATOM 0 HD22 LEU A 28 -9.456 -4.284 -7.497 1.00 60.54 H new ATOM 0 HD23 LEU A 28 -10.103 -5.517 -6.388 1.00 60.54 H new ATOM 552 N SER A 36 -9.168 1.858 -11.455 1.00 60.21 N ATOM 553 CA SER A 36 -8.136 2.874 -11.630 1.00 32.02 C ATOM 554 C SER A 36 -7.455 3.191 -10.302 1.00 11.02 C ATOM 555 O SER A 36 -6.312 3.647 -10.270 1.00 64.25 O ATOM 556 CB SER A 36 -8.742 4.148 -12.222 1.00 13.42 C ATOM 557 OG SER A 36 -9.475 3.864 -13.401 1.00 41.53 O ATOM 0 HA SER A 36 -7.387 2.482 -12.318 1.00 32.02 H new ATOM 0 HB2 SER A 36 -9.396 4.618 -11.488 1.00 13.42 H new ATOM 0 HB3 SER A 36 -7.949 4.862 -12.446 1.00 13.42 H new ATOM 0 HG SER A 36 -9.782 2.933 -13.379 1.00 41.53 H new ATOM 563 N LEU A 37 -8.166 2.947 -9.206 1.00 63.53 N ATOM 564 CA LEU A 37 -7.631 3.205 -7.874 1.00 72.34 C ATOM 565 C LEU A 37 -6.341 2.424 -7.645 1.00 20.14 C ATOM 566 O LEU A 37 -5.444 2.881 -6.934 1.00 1.01 O ATOM 567 CB LEU A 37 -8.663 2.833 -6.808 1.00 30.01 C ATOM 568 CG LEU A 37 -8.721 3.745 -5.583 1.00 3.25 C ATOM 569 CD1 LEU A 37 -7.336 3.916 -4.978 1.00 21.12 C ATOM 570 CD2 LEU A 37 -9.314 5.097 -5.952 1.00 41.53 C ATOM 0 H LEU A 37 -9.114 2.571 -9.214 1.00 63.53 H new ATOM 0 HA LEU A 37 -7.408 4.269 -7.798 1.00 72.34 H new ATOM 0 HB2 LEU A 37 -9.648 2.821 -7.274 1.00 30.01 H new ATOM 0 HB3 LEU A 37 -8.457 1.817 -6.470 1.00 30.01 H new ATOM 0 HG LEU A 37 -9.365 3.279 -4.838 1.00 3.25 H new ATOM 0 HD11 LEU A 37 -7.397 4.568 -4.107 1.00 21.12 H new ATOM 0 HD12 LEU A 37 -6.948 2.943 -4.676 1.00 21.12 H new ATOM 0 HD13 LEU A 37 -6.668 4.359 -5.717 1.00 21.12 H new ATOM 0 HD21 LEU A 37 -9.348 5.733 -5.068 1.00 41.53 H new ATOM 0 HD22 LEU A 37 -8.696 5.569 -6.715 1.00 41.53 H new ATOM 0 HD23 LEU A 37 -10.324 4.958 -6.338 1.00 41.53 H new ATOM 582 N LYS A 38 -6.253 1.246 -8.251 1.00 4.03 N ATOM 583 CA LYS A 38 -5.071 0.402 -8.116 1.00 14.01 C ATOM 584 C LYS A 38 -3.802 1.189 -8.422 1.00 54.45 C ATOM 585 O LYS A 38 -2.723 0.869 -7.923 1.00 20.21 O ATOM 586 CB LYS A 38 -5.173 -0.805 -9.051 1.00 22.53 C ATOM 587 CG LYS A 38 -6.165 -1.856 -8.582 1.00 42.11 C ATOM 588 CD LYS A 38 -6.867 -2.522 -9.754 1.00 53.12 C ATOM 589 CE LYS A 38 -5.901 -3.351 -10.585 1.00 24.21 C ATOM 590 NZ LYS A 38 -6.163 -3.213 -12.044 1.00 71.22 N ATOM 0 H LYS A 38 -6.986 0.853 -8.841 1.00 4.03 H new ATOM 0 HA LYS A 38 -5.020 0.053 -7.085 1.00 14.01 H new ATOM 0 HB2 LYS A 38 -5.463 -0.461 -10.044 1.00 22.53 H new ATOM 0 HB3 LYS A 38 -4.189 -1.264 -9.147 1.00 22.53 H new ATOM 0 HG2 LYS A 38 -5.645 -2.610 -7.991 1.00 42.11 H new ATOM 0 HG3 LYS A 38 -6.905 -1.394 -7.929 1.00 42.11 H new ATOM 0 HD2 LYS A 38 -7.670 -3.160 -9.384 1.00 53.12 H new ATOM 0 HD3 LYS A 38 -7.329 -1.761 -10.383 1.00 53.12 H new ATOM 0 HE2 LYS A 38 -4.878 -3.041 -10.369 1.00 24.21 H new ATOM 0 HE3 LYS A 38 -5.984 -4.400 -10.299 1.00 24.21 H new ATOM 0 HZ1 LYS A 38 -5.483 -3.794 -12.575 1.00 71.22 H new ATOM 0 HZ2 LYS A 38 -7.130 -3.532 -12.255 1.00 71.22 H new ATOM 0 HZ3 LYS A 38 -6.059 -2.216 -12.323 1.00 71.22 H new ATOM 604 N LYS A 39 -3.937 2.224 -9.245 1.00 73.23 N ATOM 605 CA LYS A 39 -2.802 3.061 -9.616 1.00 71.45 C ATOM 606 C LYS A 39 -2.062 3.554 -8.377 1.00 64.24 C ATOM 607 O LYS A 39 -0.837 3.682 -8.385 1.00 24.43 O ATOM 608 CB LYS A 39 -3.273 4.255 -10.450 1.00 22.44 C ATOM 609 CG LYS A 39 -3.927 5.352 -9.627 1.00 24.25 C ATOM 610 CD LYS A 39 -4.327 6.535 -10.491 1.00 43.35 C ATOM 611 CE LYS A 39 -5.521 6.203 -11.372 1.00 72.12 C ATOM 612 NZ LYS A 39 -5.950 7.372 -12.188 1.00 40.04 N ATOM 0 H LYS A 39 -4.822 2.503 -9.668 1.00 73.23 H new ATOM 0 HA LYS A 39 -2.117 2.457 -10.211 1.00 71.45 H new ATOM 0 HB2 LYS A 39 -2.420 4.673 -10.985 1.00 22.44 H new ATOM 0 HB3 LYS A 39 -3.981 3.906 -11.202 1.00 22.44 H new ATOM 0 HG2 LYS A 39 -4.808 4.954 -9.123 1.00 24.25 H new ATOM 0 HG3 LYS A 39 -3.239 5.684 -8.850 1.00 24.25 H new ATOM 0 HD2 LYS A 39 -4.569 7.386 -9.855 1.00 43.35 H new ATOM 0 HD3 LYS A 39 -3.484 6.832 -11.115 1.00 43.35 H new ATOM 0 HE2 LYS A 39 -5.266 5.374 -12.032 1.00 72.12 H new ATOM 0 HE3 LYS A 39 -6.351 5.871 -10.749 1.00 72.12 H new ATOM 0 HZ1 LYS A 39 -6.766 7.105 -12.775 1.00 40.04 H new ATOM 0 HZ2 LYS A 39 -6.218 8.155 -11.558 1.00 40.04 H new ATOM 0 HZ3 LYS A 39 -5.166 7.673 -12.802 1.00 40.04 H new ATOM 626 N VAL A 40 -2.811 3.826 -7.314 1.00 53.33 N ATOM 627 CA VAL A 40 -2.225 4.301 -6.066 1.00 51.44 C ATOM 628 C VAL A 40 -1.385 3.215 -5.405 1.00 22.21 C ATOM 629 O VAL A 40 -0.165 3.343 -5.287 1.00 52.21 O ATOM 630 CB VAL A 40 -3.310 4.769 -5.079 1.00 22.33 C ATOM 631 CG1 VAL A 40 -2.738 4.886 -3.674 1.00 10.34 C ATOM 632 CG2 VAL A 40 -3.908 6.092 -5.532 1.00 14.31 C ATOM 0 H VAL A 40 -3.826 3.726 -7.292 1.00 53.33 H new ATOM 0 HA VAL A 40 -1.585 5.147 -6.318 1.00 51.44 H new ATOM 0 HB VAL A 40 -4.106 4.025 -5.061 1.00 22.33 H new ATOM 0 HG11 VAL A 40 -3.519 5.218 -2.990 1.00 10.34 H new ATOM 0 HG12 VAL A 40 -2.362 3.915 -3.352 1.00 10.34 H new ATOM 0 HG13 VAL A 40 -1.923 5.609 -3.672 1.00 10.34 H new ATOM 0 HG21 VAL A 40 -4.673 6.407 -4.823 1.00 14.31 H new ATOM 0 HG22 VAL A 40 -3.124 6.848 -5.580 1.00 14.31 H new ATOM 0 HG23 VAL A 40 -4.356 5.970 -6.518 1.00 14.31 H new ATOM 642 N LEU A 41 -2.044 2.145 -4.975 1.00 13.32 N ATOM 643 CA LEU A 41 -1.358 1.034 -4.324 1.00 61.11 C ATOM 644 C LEU A 41 -0.186 0.546 -5.171 1.00 12.21 C ATOM 645 O LEU A 41 0.924 0.373 -4.670 1.00 32.33 O ATOM 646 CB LEU A 41 -2.334 -0.117 -4.073 1.00 53.33 C ATOM 647 CG LEU A 41 -3.242 0.027 -2.851 1.00 51.13 C ATOM 648 CD1 LEU A 41 -4.210 1.184 -3.038 1.00 45.55 C ATOM 649 CD2 LEU A 41 -3.999 -1.268 -2.594 1.00 15.51 C ATOM 0 H LEU A 41 -3.053 2.023 -5.065 1.00 13.32 H new ATOM 0 HA LEU A 41 -0.970 1.388 -3.369 1.00 61.11 H new ATOM 0 HB2 LEU A 41 -2.962 -0.233 -4.956 1.00 53.33 H new ATOM 0 HB3 LEU A 41 -1.760 -1.037 -3.967 1.00 53.33 H new ATOM 0 HG LEU A 41 -2.619 0.239 -1.982 1.00 51.13 H new ATOM 0 HD11 LEU A 41 -4.848 1.271 -2.158 1.00 45.55 H new ATOM 0 HD12 LEU A 41 -3.650 2.109 -3.172 1.00 45.55 H new ATOM 0 HD13 LEU A 41 -4.828 1.003 -3.918 1.00 45.55 H new ATOM 0 HD21 LEU A 41 -4.640 -1.147 -1.721 1.00 15.51 H new ATOM 0 HD22 LEU A 41 -4.611 -1.510 -3.463 1.00 15.51 H new ATOM 0 HD23 LEU A 41 -3.289 -2.075 -2.414 1.00 15.51 H new ATOM 661 N GLU A 42 -0.442 0.331 -6.458 1.00 32.34 N ATOM 662 CA GLU A 42 0.592 -0.135 -7.374 1.00 0.24 C ATOM 663 C GLU A 42 1.774 0.830 -7.396 1.00 50.10 C ATOM 664 O GLU A 42 2.918 0.432 -7.187 1.00 23.05 O ATOM 665 CB GLU A 42 0.022 -0.294 -8.784 1.00 54.11 C ATOM 666 CG GLU A 42 -1.028 -1.386 -8.897 1.00 72.05 C ATOM 667 CD GLU A 42 -0.639 -2.470 -9.883 1.00 50.22 C ATOM 668 OE1 GLU A 42 0.349 -3.186 -9.619 1.00 3.53 O ATOM 669 OE2 GLU A 42 -1.324 -2.603 -10.919 1.00 23.02 O ATOM 0 H GLU A 42 -1.356 0.472 -6.889 1.00 32.34 H new ATOM 0 HA GLU A 42 0.944 -1.105 -7.022 1.00 0.24 H new ATOM 0 HB2 GLU A 42 -0.416 0.653 -9.099 1.00 54.11 H new ATOM 0 HB3 GLU A 42 0.837 -0.513 -9.474 1.00 54.11 H new ATOM 0 HG2 GLU A 42 -1.189 -1.833 -7.916 1.00 72.05 H new ATOM 0 HG3 GLU A 42 -1.975 -0.943 -9.205 1.00 72.05 H new ATOM 676 N ASN A 43 1.486 2.102 -7.653 1.00 53.13 N ATOM 677 CA ASN A 43 2.524 3.126 -7.705 1.00 22.44 C ATOM 678 C ASN A 43 3.319 3.160 -6.403 1.00 65.45 C ATOM 679 O ASN A 43 4.522 2.899 -6.391 1.00 62.24 O ATOM 680 CB ASN A 43 1.904 4.498 -7.973 1.00 34.52 C ATOM 681 CG ASN A 43 1.548 4.697 -9.434 1.00 32.54 C ATOM 682 OD1 ASN A 43 1.351 3.733 -10.172 1.00 74.24 O ATOM 683 ND2 ASN A 43 1.465 5.953 -9.856 1.00 50.21 N ATOM 0 H ASN A 43 0.543 2.448 -7.828 1.00 53.13 H new ATOM 0 HA ASN A 43 3.204 2.878 -8.520 1.00 22.44 H new ATOM 0 HB2 ASN A 43 1.007 4.613 -7.364 1.00 34.52 H new ATOM 0 HB3 ASN A 43 2.602 5.276 -7.663 1.00 34.52 H new ATOM 0 HD21 ASN A 43 1.229 6.150 -10.829 1.00 50.21 H new ATOM 0 HD22 ASN A 43 1.637 6.721 -9.207 1.00 50.21 H new ATOM 690 N TYR A 44 2.639 3.482 -5.309 1.00 14.50 N ATOM 691 CA TYR A 44 3.281 3.552 -4.002 1.00 21.13 C ATOM 692 C TYR A 44 4.057 2.272 -3.707 1.00 12.33 C ATOM 693 O TYR A 44 5.156 2.312 -3.151 1.00 32.44 O ATOM 694 CB TYR A 44 2.238 3.793 -2.910 1.00 31.32 C ATOM 695 CG TYR A 44 1.836 5.243 -2.764 1.00 43.31 C ATOM 696 CD1 TYR A 44 2.795 6.248 -2.714 1.00 55.21 C ATOM 697 CD2 TYR A 44 0.499 5.609 -2.676 1.00 62.15 C ATOM 698 CE1 TYR A 44 2.433 7.575 -2.581 1.00 61.32 C ATOM 699 CE2 TYR A 44 0.127 6.933 -2.544 1.00 22.01 C ATOM 700 CZ TYR A 44 1.098 7.912 -2.496 1.00 40.12 C ATOM 701 OH TYR A 44 0.733 9.232 -2.364 1.00 1.25 O ATOM 0 H TYR A 44 1.642 3.699 -5.301 1.00 14.50 H new ATOM 0 HA TYR A 44 3.983 4.386 -4.015 1.00 21.13 H new ATOM 0 HB2 TYR A 44 1.351 3.199 -3.130 1.00 31.32 H new ATOM 0 HB3 TYR A 44 2.632 3.437 -1.958 1.00 31.32 H new ATOM 0 HD1 TYR A 44 3.841 5.987 -2.780 1.00 55.21 H new ATOM 0 HD2 TYR A 44 -0.263 4.845 -2.711 1.00 62.15 H new ATOM 0 HE1 TYR A 44 3.191 8.344 -2.544 1.00 61.32 H new ATOM 0 HE2 TYR A 44 -0.917 7.200 -2.479 1.00 22.01 H new ATOM 0 HH TYR A 44 -0.157 9.366 -2.752 1.00 1.25 H new ATOM 711 N LEU A 45 3.479 1.137 -4.085 1.00 43.20 N ATOM 712 CA LEU A 45 4.115 -0.156 -3.862 1.00 43.24 C ATOM 713 C LEU A 45 5.494 -0.204 -4.514 1.00 32.52 C ATOM 714 O LEU A 45 6.446 -0.723 -3.933 1.00 22.13 O ATOM 715 CB LEU A 45 3.238 -1.280 -4.417 1.00 32.34 C ATOM 716 CG LEU A 45 3.822 -2.691 -4.335 1.00 52.31 C ATOM 717 CD1 LEU A 45 4.180 -3.038 -2.898 1.00 71.11 C ATOM 718 CD2 LEU A 45 2.843 -3.708 -4.903 1.00 51.02 C ATOM 0 H LEU A 45 2.571 1.086 -4.547 1.00 43.20 H new ATOM 0 HA LEU A 45 4.236 -0.293 -2.787 1.00 43.24 H new ATOM 0 HB2 LEU A 45 2.288 -1.270 -3.882 1.00 32.34 H new ATOM 0 HB3 LEU A 45 3.018 -1.060 -5.462 1.00 32.34 H new ATOM 0 HG LEU A 45 4.733 -2.721 -4.932 1.00 52.31 H new ATOM 0 HD11 LEU A 45 4.594 -4.046 -2.859 1.00 71.11 H new ATOM 0 HD12 LEU A 45 4.918 -2.328 -2.525 1.00 71.11 H new ATOM 0 HD13 LEU A 45 3.285 -2.990 -2.278 1.00 71.11 H new ATOM 0 HD21 LEU A 45 3.276 -4.706 -4.836 1.00 51.02 H new ATOM 0 HD22 LEU A 45 1.914 -3.676 -4.333 1.00 51.02 H new ATOM 0 HD23 LEU A 45 2.637 -3.471 -5.947 1.00 51.02 H new ATOM 730 N GLU A 46 5.591 0.342 -5.721 1.00 45.15 N ATOM 731 CA GLU A 46 6.855 0.363 -6.450 1.00 32.41 C ATOM 732 C GLU A 46 7.864 1.280 -5.765 1.00 31.44 C ATOM 733 O GLU A 46 9.068 1.032 -5.803 1.00 1.15 O ATOM 734 CB GLU A 46 6.629 0.821 -7.892 1.00 65.40 C ATOM 735 CG GLU A 46 7.058 -0.203 -8.931 1.00 23.44 C ATOM 736 CD GLU A 46 6.130 -1.402 -8.985 1.00 4.14 C ATOM 737 OE1 GLU A 46 5.113 -1.332 -9.705 1.00 31.53 O ATOM 738 OE2 GLU A 46 6.424 -2.409 -8.307 1.00 63.05 O ATOM 0 H GLU A 46 4.811 0.776 -6.215 1.00 45.15 H new ATOM 0 HA GLU A 46 7.258 -0.650 -6.457 1.00 32.41 H new ATOM 0 HB2 GLU A 46 5.572 1.046 -8.031 1.00 65.40 H new ATOM 0 HB3 GLU A 46 7.177 1.748 -8.060 1.00 65.40 H new ATOM 0 HG2 GLU A 46 7.090 0.271 -9.912 1.00 23.44 H new ATOM 0 HG3 GLU A 46 8.070 -0.541 -8.707 1.00 23.44 H new ATOM 745 N GLU A 47 7.361 2.340 -5.140 1.00 42.02 N ATOM 746 CA GLU A 47 8.218 3.295 -4.447 1.00 45.30 C ATOM 747 C GLU A 47 9.096 2.591 -3.417 1.00 51.12 C ATOM 748 O GLU A 47 10.277 2.908 -3.270 1.00 32.24 O ATOM 749 CB GLU A 47 7.372 4.371 -3.763 1.00 41.34 C ATOM 750 CG GLU A 47 6.423 5.090 -4.707 1.00 45.31 C ATOM 751 CD GLU A 47 7.102 6.201 -5.483 1.00 43.41 C ATOM 752 OE1 GLU A 47 8.189 6.645 -5.054 1.00 61.41 O ATOM 753 OE2 GLU A 47 6.549 6.628 -6.517 1.00 41.34 O ATOM 0 H GLU A 47 6.366 2.559 -5.099 1.00 42.02 H new ATOM 0 HA GLU A 47 8.864 3.767 -5.187 1.00 45.30 H new ATOM 0 HB2 GLU A 47 6.794 3.912 -2.961 1.00 41.34 H new ATOM 0 HB3 GLU A 47 8.034 5.103 -3.300 1.00 41.34 H new ATOM 0 HG2 GLU A 47 5.998 4.370 -5.407 1.00 45.31 H new ATOM 0 HG3 GLU A 47 5.594 5.506 -4.135 1.00 45.31 H new ATOM 760 N LEU A 48 8.510 1.635 -2.705 1.00 23.41 N ATOM 761 CA LEU A 48 9.238 0.884 -1.687 1.00 40.21 C ATOM 762 C LEU A 48 10.423 0.145 -2.298 1.00 62.50 C ATOM 763 O LEU A 48 11.389 -0.181 -1.608 1.00 44.25 O ATOM 764 CB LEU A 48 8.304 -0.110 -0.993 1.00 3.41 C ATOM 765 CG LEU A 48 7.183 0.499 -0.150 1.00 74.24 C ATOM 766 CD1 LEU A 48 5.838 0.314 -0.837 1.00 43.23 C ATOM 767 CD2 LEU A 48 7.163 -0.120 1.239 1.00 24.41 C ATOM 0 H LEU A 48 7.533 1.361 -2.813 1.00 23.41 H new ATOM 0 HA LEU A 48 9.617 1.592 -0.950 1.00 40.21 H new ATOM 0 HB2 LEU A 48 7.854 -0.747 -1.754 1.00 3.41 H new ATOM 0 HB3 LEU A 48 8.904 -0.755 -0.352 1.00 3.41 H new ATOM 0 HG LEU A 48 7.372 1.568 -0.047 1.00 74.24 H new ATOM 0 HD11 LEU A 48 5.052 0.753 -0.223 1.00 43.23 H new ATOM 0 HD12 LEU A 48 5.856 0.805 -1.810 1.00 43.23 H new ATOM 0 HD13 LEU A 48 5.641 -0.750 -0.971 1.00 43.23 H new ATOM 0 HD21 LEU A 48 6.359 0.326 1.824 1.00 24.41 H new ATOM 0 HD22 LEU A 48 6.999 -1.194 1.156 1.00 24.41 H new ATOM 0 HD23 LEU A 48 8.117 0.064 1.733 1.00 24.41 H new ATOM 779 N LYS A 49 10.343 -0.117 -3.599 1.00 23.25 N ATOM 780 CA LYS A 49 11.410 -0.816 -4.305 1.00 72.32 C ATOM 781 C LYS A 49 12.634 0.080 -4.464 1.00 44.24 C ATOM 782 O LYS A 49 13.770 -0.388 -4.389 1.00 24.13 O ATOM 783 CB LYS A 49 10.921 -1.279 -5.680 1.00 51.15 C ATOM 784 CG LYS A 49 9.544 -1.918 -5.652 1.00 41.02 C ATOM 785 CD LYS A 49 9.515 -3.143 -4.754 1.00 5.11 C ATOM 786 CE LYS A 49 8.183 -3.870 -4.845 1.00 52.24 C ATOM 787 NZ LYS A 49 8.164 -4.857 -5.960 1.00 41.22 N ATOM 0 H LYS A 49 9.550 0.144 -4.185 1.00 23.25 H new ATOM 0 HA LYS A 49 11.693 -1.687 -3.715 1.00 72.32 H new ATOM 0 HB2 LYS A 49 10.902 -0.424 -6.356 1.00 51.15 H new ATOM 0 HB3 LYS A 49 11.636 -1.993 -6.089 1.00 51.15 H new ATOM 0 HG2 LYS A 49 8.812 -1.191 -5.301 1.00 41.02 H new ATOM 0 HG3 LYS A 49 9.253 -2.201 -6.664 1.00 41.02 H new ATOM 0 HD2 LYS A 49 10.321 -3.821 -5.036 1.00 5.11 H new ATOM 0 HD3 LYS A 49 9.697 -2.843 -3.722 1.00 5.11 H new ATOM 0 HE2 LYS A 49 7.984 -4.382 -3.904 1.00 52.24 H new ATOM 0 HE3 LYS A 49 7.382 -3.144 -4.989 1.00 52.24 H new ATOM 0 HZ1 LYS A 49 7.239 -5.331 -5.988 1.00 41.22 H new ATOM 0 HZ2 LYS A 49 8.329 -4.365 -6.862 1.00 41.22 H new ATOM 0 HZ3 LYS A 49 8.911 -5.565 -5.810 1.00 41.22 H new ATOM 801 N GLN A 50 12.395 1.368 -4.683 1.00 54.14 N ATOM 802 CA GLN A 50 13.479 2.329 -4.852 1.00 22.00 C ATOM 803 C GLN A 50 14.091 2.701 -3.506 1.00 21.11 C ATOM 804 O GLN A 50 13.418 2.665 -2.475 1.00 20.14 O ATOM 805 CB GLN A 50 12.970 3.586 -5.559 1.00 52.05 C ATOM 806 CG GLN A 50 12.127 3.292 -6.790 1.00 14.11 C ATOM 807 CD GLN A 50 11.551 4.546 -7.416 1.00 53.14 C ATOM 808 OE1 GLN A 50 12.118 5.633 -7.292 1.00 32.42 O ATOM 809 NE2 GLN A 50 10.419 4.404 -8.095 1.00 11.22 N ATOM 0 H GLN A 50 11.460 1.771 -4.748 1.00 54.14 H new ATOM 0 HA GLN A 50 14.251 1.864 -5.465 1.00 22.00 H new ATOM 0 HB2 GLN A 50 12.380 4.174 -4.856 1.00 52.05 H new ATOM 0 HB3 GLN A 50 13.823 4.199 -5.851 1.00 52.05 H new ATOM 0 HG2 GLN A 50 12.737 2.770 -7.527 1.00 14.11 H new ATOM 0 HG3 GLN A 50 11.313 2.620 -6.516 1.00 14.11 H new ATOM 0 HE21 GLN A 50 9.983 3.485 -8.173 1.00 11.22 H new ATOM 0 HE22 GLN A 50 9.986 5.214 -8.539 1.00 11.22 H new ATOM 818 N LYS A 51 15.370 3.060 -3.521 1.00 23.12 N ATOM 819 CA LYS A 51 16.073 3.441 -2.302 1.00 61.13 C ATOM 820 C LYS A 51 16.018 4.950 -2.091 1.00 1.00 C ATOM 821 O LYS A 51 16.776 5.503 -1.294 1.00 50.54 O ATOM 822 CB LYS A 51 17.531 2.977 -2.363 1.00 34.44 C ATOM 823 CG LYS A 51 18.344 3.669 -3.443 1.00 21.30 C ATOM 824 CD LYS A 51 19.615 2.899 -3.764 1.00 34.24 C ATOM 825 CE LYS A 51 20.741 3.258 -2.806 1.00 14.13 C ATOM 826 NZ LYS A 51 20.691 2.443 -1.561 1.00 63.24 N ATOM 0 H LYS A 51 15.941 3.095 -4.365 1.00 23.12 H new ATOM 0 HA LYS A 51 15.578 2.956 -1.461 1.00 61.13 H new ATOM 0 HB2 LYS A 51 18.001 3.155 -1.396 1.00 34.44 H new ATOM 0 HB3 LYS A 51 17.554 1.901 -2.536 1.00 34.44 H new ATOM 0 HG2 LYS A 51 17.741 3.770 -4.345 1.00 21.30 H new ATOM 0 HG3 LYS A 51 18.601 4.677 -3.117 1.00 21.30 H new ATOM 0 HD2 LYS A 51 19.417 1.829 -3.709 1.00 34.24 H new ATOM 0 HD3 LYS A 51 19.924 3.114 -4.787 1.00 34.24 H new ATOM 0 HE2 LYS A 51 21.701 3.107 -3.301 1.00 14.13 H new ATOM 0 HE3 LYS A 51 20.677 4.316 -2.550 1.00 14.13 H new ATOM 0 HZ1 LYS A 51 20.649 3.073 -0.735 1.00 63.24 H new ATOM 0 HZ2 LYS A 51 19.846 1.836 -1.577 1.00 63.24 H new ATOM 0 HZ3 LYS A 51 21.543 1.849 -1.500 1.00 63.24 H new ATOM 840 N SER A 52 15.114 5.611 -2.808 1.00 4.12 N ATOM 841 CA SER A 52 14.962 7.058 -2.700 1.00 62.54 C ATOM 842 C SER A 52 14.044 7.422 -1.537 1.00 73.45 C ATOM 843 O SER A 52 14.500 7.886 -0.494 1.00 1.33 O ATOM 844 CB SER A 52 14.404 7.631 -4.004 1.00 43.04 C ATOM 845 OG SER A 52 14.157 9.021 -3.885 1.00 41.04 O ATOM 0 H SER A 52 14.476 5.168 -3.469 1.00 4.12 H new ATOM 0 HA SER A 52 15.945 7.490 -2.513 1.00 62.54 H new ATOM 0 HB2 SER A 52 15.110 7.452 -4.815 1.00 43.04 H new ATOM 0 HB3 SER A 52 13.480 7.115 -4.266 1.00 43.04 H new ATOM 0 HG SER A 52 13.803 9.364 -4.732 1.00 41.04 H new ATOM 851 N ALA A 53 12.746 7.206 -1.726 1.00 72.12 N ATOM 852 CA ALA A 53 11.763 7.509 -0.694 1.00 61.23 C ATOM 853 C ALA A 53 11.823 6.490 0.437 1.00 24.33 C ATOM 854 O ALA A 53 11.932 5.287 0.198 1.00 72.33 O ATOM 855 CB ALA A 53 10.364 7.553 -1.293 1.00 42.34 C ATOM 0 H ALA A 53 12.351 6.822 -2.585 1.00 72.12 H new ATOM 0 HA ALA A 53 12.000 8.489 -0.279 1.00 61.23 H new ATOM 0 HB1 ALA A 53 9.640 7.780 -0.510 1.00 42.34 H new ATOM 0 HB2 ALA A 53 10.322 8.324 -2.062 1.00 42.34 H new ATOM 0 HB3 ALA A 53 10.127 6.586 -1.736 1.00 42.34 H new ATOM 861 N SER A 54 11.752 6.977 1.672 1.00 4.30 N ATOM 862 CA SER A 54 11.804 6.108 2.842 1.00 22.20 C ATOM 863 C SER A 54 10.490 5.352 3.015 1.00 71.44 C ATOM 864 O SER A 54 9.443 5.785 2.534 1.00 12.30 O ATOM 865 CB SER A 54 12.104 6.927 4.099 1.00 72.13 C ATOM 866 OG SER A 54 13.323 7.636 3.967 1.00 40.01 O ATOM 0 H SER A 54 11.658 7.969 1.888 1.00 4.30 H new ATOM 0 HA SER A 54 12.603 5.383 2.691 1.00 22.20 H new ATOM 0 HB2 SER A 54 11.290 7.628 4.283 1.00 72.13 H new ATOM 0 HB3 SER A 54 12.156 6.266 4.964 1.00 72.13 H new ATOM 0 HG SER A 54 13.491 8.153 4.783 1.00 40.01 H new ATOM 872 N VAL A 55 10.554 4.218 3.706 1.00 72.41 N ATOM 873 CA VAL A 55 9.370 3.401 3.945 1.00 60.44 C ATOM 874 C VAL A 55 8.240 4.232 4.542 1.00 74.32 C ATOM 875 O VAL A 55 7.139 4.312 3.995 1.00 23.25 O ATOM 876 CB VAL A 55 9.681 2.224 4.887 1.00 3.33 C ATOM 877 CG1 VAL A 55 8.454 1.858 5.709 1.00 72.24 C ATOM 878 CG2 VAL A 55 10.180 1.024 4.096 1.00 40.22 C ATOM 0 H VAL A 55 11.413 3.844 4.110 1.00 72.41 H new ATOM 0 HA VAL A 55 9.056 3.009 2.978 1.00 60.44 H new ATOM 0 HB VAL A 55 10.470 2.531 5.573 1.00 3.33 H new ATOM 0 HG11 VAL A 55 8.694 1.024 6.369 1.00 72.24 H new ATOM 0 HG12 VAL A 55 8.147 2.717 6.306 1.00 72.24 H new ATOM 0 HG13 VAL A 55 7.641 1.571 5.042 1.00 72.24 H new ATOM 0 HG21 VAL A 55 10.395 0.202 4.779 1.00 40.22 H new ATOM 0 HG22 VAL A 55 9.415 0.714 3.384 1.00 40.22 H new ATOM 0 HG23 VAL A 55 11.088 1.295 3.558 1.00 40.22 H new ATOM 888 N PRO A 56 8.515 4.866 5.691 1.00 21.11 N ATOM 889 CA PRO A 56 7.534 5.703 6.388 1.00 44.52 C ATOM 890 C PRO A 56 7.234 6.994 5.633 1.00 41.10 C ATOM 891 O PRO A 56 6.280 7.704 5.953 1.00 13.12 O ATOM 892 CB PRO A 56 8.216 6.011 7.724 1.00 71.35 C ATOM 893 CG PRO A 56 9.674 5.889 7.442 1.00 33.12 C ATOM 894 CD PRO A 56 9.806 4.814 6.398 1.00 11.31 C ATOM 0 HA PRO A 56 6.571 5.203 6.491 1.00 44.52 H new ATOM 0 HB2 PRO A 56 7.963 7.011 8.076 1.00 71.35 H new ATOM 0 HB3 PRO A 56 7.903 5.311 8.499 1.00 71.35 H new ATOM 0 HG2 PRO A 56 10.082 6.834 7.083 1.00 33.12 H new ATOM 0 HG3 PRO A 56 10.225 5.626 8.345 1.00 33.12 H new ATOM 0 HD2 PRO A 56 10.641 5.008 5.725 1.00 11.31 H new ATOM 0 HD3 PRO A 56 9.979 3.836 6.847 1.00 11.31 H new ATOM 902 N LEU A 57 8.053 7.293 4.631 1.00 24.31 N ATOM 903 CA LEU A 57 7.875 8.498 3.830 1.00 1.12 C ATOM 904 C LEU A 57 6.810 8.288 2.759 1.00 50.44 C ATOM 905 O LEU A 57 6.179 9.242 2.303 1.00 73.45 O ATOM 906 CB LEU A 57 9.199 8.900 3.176 1.00 1.23 C ATOM 907 CG LEU A 57 10.059 9.894 3.959 1.00 35.14 C ATOM 908 CD1 LEU A 57 11.366 10.160 3.228 1.00 74.41 C ATOM 909 CD2 LEU A 57 9.299 11.193 4.187 1.00 63.23 C ATOM 0 H LEU A 57 8.848 6.717 4.354 1.00 24.31 H new ATOM 0 HA LEU A 57 7.545 9.299 4.492 1.00 1.12 H new ATOM 0 HB2 LEU A 57 9.786 7.998 3.006 1.00 1.23 H new ATOM 0 HB3 LEU A 57 8.983 9.329 2.198 1.00 1.23 H new ATOM 0 HG LEU A 57 10.292 9.458 4.930 1.00 35.14 H new ATOM 0 HD11 LEU A 57 11.965 10.869 3.800 1.00 74.41 H new ATOM 0 HD12 LEU A 57 11.917 9.226 3.117 1.00 74.41 H new ATOM 0 HD13 LEU A 57 11.154 10.575 2.243 1.00 74.41 H new ATOM 0 HD21 LEU A 57 9.926 11.888 4.745 1.00 63.23 H new ATOM 0 HD22 LEU A 57 9.035 11.634 3.226 1.00 63.23 H new ATOM 0 HD23 LEU A 57 8.391 10.988 4.754 1.00 63.23 H new ATOM 921 N ILE A 58 6.614 7.035 2.365 1.00 61.50 N ATOM 922 CA ILE A 58 5.622 6.699 1.350 1.00 10.51 C ATOM 923 C ILE A 58 4.336 6.184 1.988 1.00 4.11 C ATOM 924 O ILE A 58 3.244 6.668 1.687 1.00 63.40 O ATOM 925 CB ILE A 58 6.156 5.639 0.370 1.00 50.34 C ATOM 926 CG1 ILE A 58 7.408 6.155 -0.341 1.00 51.45 C ATOM 927 CG2 ILE A 58 5.083 5.264 -0.641 1.00 2.12 C ATOM 928 CD1 ILE A 58 8.460 5.091 -0.564 1.00 4.15 C ATOM 0 H ILE A 58 7.129 6.235 2.733 1.00 61.50 H new ATOM 0 HA ILE A 58 5.410 7.616 0.800 1.00 10.51 H new ATOM 0 HB ILE A 58 6.424 4.746 0.935 1.00 50.34 H new ATOM 0 HG12 ILE A 58 7.121 6.577 -1.304 1.00 51.45 H new ATOM 0 HG13 ILE A 58 7.841 6.965 0.246 1.00 51.45 H new ATOM 0 HG21 ILE A 58 5.476 4.514 -1.327 1.00 2.12 H new ATOM 0 HG22 ILE A 58 4.216 4.860 -0.118 1.00 2.12 H new ATOM 0 HG23 ILE A 58 4.787 6.150 -1.203 1.00 2.12 H new ATOM 0 HD11 ILE A 58 9.319 5.529 -1.073 1.00 4.15 H new ATOM 0 HD12 ILE A 58 8.776 4.685 0.397 1.00 4.15 H new ATOM 0 HD13 ILE A 58 8.044 4.291 -1.177 1.00 4.15 H new ATOM 940 N LEU A 59 4.472 5.202 2.871 1.00 64.51 N ATOM 941 CA LEU A 59 3.322 4.621 3.554 1.00 13.31 C ATOM 942 C LEU A 59 2.454 5.708 4.181 1.00 43.55 C ATOM 943 O LEU A 59 1.237 5.562 4.286 1.00 14.21 O ATOM 944 CB LEU A 59 3.785 3.638 4.631 1.00 22.23 C ATOM 945 CG LEU A 59 4.308 2.292 4.131 1.00 60.03 C ATOM 946 CD1 LEU A 59 4.932 1.503 5.272 1.00 75.32 C ATOM 947 CD2 LEU A 59 3.189 1.494 3.477 1.00 23.15 C ATOM 0 H LEU A 59 5.368 4.791 3.131 1.00 64.51 H new ATOM 0 HA LEU A 59 2.725 4.086 2.815 1.00 13.31 H new ATOM 0 HB2 LEU A 59 4.571 4.115 5.217 1.00 22.23 H new ATOM 0 HB3 LEU A 59 2.951 3.452 5.308 1.00 22.23 H new ATOM 0 HG LEU A 59 5.079 2.479 3.383 1.00 60.03 H new ATOM 0 HD11 LEU A 59 5.298 0.548 4.896 1.00 75.32 H new ATOM 0 HD12 LEU A 59 5.762 2.069 5.695 1.00 75.32 H new ATOM 0 HD13 LEU A 59 4.183 1.326 6.044 1.00 75.32 H new ATOM 0 HD21 LEU A 59 3.580 0.539 3.127 1.00 23.15 H new ATOM 0 HD22 LEU A 59 2.396 1.317 4.203 1.00 23.15 H new ATOM 0 HD23 LEU A 59 2.789 2.054 2.632 1.00 23.15 H new ATOM 959 N SER A 60 3.091 6.800 4.594 1.00 14.23 N ATOM 960 CA SER A 60 2.378 7.912 5.211 1.00 10.25 C ATOM 961 C SER A 60 1.446 8.585 4.208 1.00 4.15 C ATOM 962 O SER A 60 0.300 8.901 4.524 1.00 15.12 O ATOM 963 CB SER A 60 3.370 8.935 5.768 1.00 2.34 C ATOM 964 OG SER A 60 4.316 9.316 4.785 1.00 21.25 O ATOM 0 H SER A 60 4.098 6.938 4.512 1.00 14.23 H new ATOM 0 HA SER A 60 1.777 7.516 6.029 1.00 10.25 H new ATOM 0 HB2 SER A 60 2.831 9.815 6.119 1.00 2.34 H new ATOM 0 HB3 SER A 60 3.887 8.513 6.630 1.00 2.34 H new ATOM 0 HG SER A 60 5.169 8.866 4.960 1.00 21.25 H new ATOM 970 N ARG A 61 1.949 8.801 2.997 1.00 11.33 N ATOM 971 CA ARG A 61 1.163 9.437 1.946 1.00 3.40 C ATOM 972 C ARG A 61 0.098 8.483 1.410 1.00 2.54 C ATOM 973 O ARG A 61 -0.985 8.909 1.010 1.00 2.23 O ATOM 974 CB ARG A 61 2.074 9.896 0.805 1.00 20.24 C ATOM 975 CG ARG A 61 3.398 10.473 1.278 1.00 13.10 C ATOM 976 CD ARG A 61 3.189 11.569 2.312 1.00 64.13 C ATOM 977 NE ARG A 61 3.929 12.784 1.979 1.00 73.11 N ATOM 978 CZ ARG A 61 3.891 13.891 2.712 1.00 53.13 C ATOM 979 NH1 ARG A 61 3.154 13.937 3.812 1.00 14.23 N ATOM 980 NH2 ARG A 61 4.591 14.956 2.342 1.00 11.33 N ATOM 0 H ARG A 61 2.897 8.545 2.719 1.00 11.33 H new ATOM 0 HA ARG A 61 0.664 10.306 2.375 1.00 3.40 H new ATOM 0 HB2 ARG A 61 2.271 9.051 0.146 1.00 20.24 H new ATOM 0 HB3 ARG A 61 1.551 10.647 0.213 1.00 20.24 H new ATOM 0 HG2 ARG A 61 4.010 9.679 1.706 1.00 13.10 H new ATOM 0 HG3 ARG A 61 3.947 10.875 0.426 1.00 13.10 H new ATOM 0 HD2 ARG A 61 2.126 11.800 2.385 1.00 64.13 H new ATOM 0 HD3 ARG A 61 3.505 11.209 3.291 1.00 64.13 H new ATOM 0 HE ARG A 61 4.506 12.782 1.138 1.00 73.11 H new ATOM 0 HH11 ARG A 61 2.614 13.121 4.098 1.00 14.23 H new ATOM 0 HH12 ARG A 61 3.127 14.789 4.373 1.00 14.23 H new ATOM 0 HH21 ARG A 61 5.158 14.924 1.495 1.00 11.33 H new ATOM 0 HH22 ARG A 61 4.562 15.806 2.905 1.00 11.33 H new ATOM 994 N MET A 62 0.416 7.194 1.406 1.00 61.42 N ATOM 995 CA MET A 62 -0.513 6.181 0.919 1.00 23.33 C ATOM 996 C MET A 62 -1.883 6.344 1.569 1.00 74.54 C ATOM 997 O MET A 62 -2.882 6.569 0.885 1.00 23.13 O ATOM 998 CB MET A 62 0.034 4.779 1.200 1.00 52.03 C ATOM 999 CG MET A 62 -0.488 3.720 0.243 1.00 13.42 C ATOM 1000 SD MET A 62 0.207 2.088 0.566 1.00 44.22 S ATOM 1001 CE MET A 62 -0.697 1.620 2.039 1.00 75.12 C ATOM 0 H MET A 62 1.309 6.826 1.734 1.00 61.42 H new ATOM 0 HA MET A 62 -0.623 6.311 -0.158 1.00 23.33 H new ATOM 0 HB2 MET A 62 1.122 4.804 1.143 1.00 52.03 H new ATOM 0 HB3 MET A 62 -0.225 4.495 2.220 1.00 52.03 H new ATOM 0 HG2 MET A 62 -1.574 3.670 0.320 1.00 13.42 H new ATOM 0 HG3 MET A 62 -0.255 4.014 -0.780 1.00 13.42 H new ATOM 0 HE1 MET A 62 -0.328 0.661 2.403 1.00 75.12 H new ATOM 0 HE2 MET A 62 -0.557 2.379 2.808 1.00 75.12 H new ATOM 0 HE3 MET A 62 -1.758 1.534 1.803 1.00 75.12 H new ATOM 1011 N ASN A 63 -1.925 6.226 2.892 1.00 41.42 N ATOM 1012 CA ASN A 63 -3.173 6.361 3.632 1.00 33.33 C ATOM 1013 C ASN A 63 -3.852 7.690 3.319 1.00 75.00 C ATOM 1014 O ASN A 63 -5.052 7.738 3.041 1.00 63.04 O ATOM 1015 CB ASN A 63 -2.913 6.251 5.136 1.00 33.02 C ATOM 1016 CG ASN A 63 -2.009 5.083 5.483 1.00 61.30 C ATOM 1017 OD1 ASN A 63 -2.115 4.007 4.895 1.00 3.00 O ATOM 1018 ND2 ASN A 63 -1.115 5.291 6.442 1.00 41.43 N ATOM 0 H ASN A 63 -1.108 6.037 3.473 1.00 41.42 H new ATOM 0 HA ASN A 63 -3.837 5.553 3.324 1.00 33.33 H new ATOM 0 HB2 ASN A 63 -2.460 7.176 5.492 1.00 33.02 H new ATOM 0 HB3 ASN A 63 -3.863 6.140 5.659 1.00 33.02 H new ATOM 0 HD21 ASN A 63 -0.480 4.542 6.719 1.00 41.43 H new ATOM 0 HD22 ASN A 63 -1.063 6.200 6.902 1.00 41.43 H new ATOM 1025 N LEU A 64 -3.078 8.769 3.364 1.00 33.32 N ATOM 1026 CA LEU A 64 -3.604 10.101 3.084 1.00 73.33 C ATOM 1027 C LEU A 64 -3.985 10.237 1.614 1.00 53.00 C ATOM 1028 O LEU A 64 -4.634 11.206 1.218 1.00 44.32 O ATOM 1029 CB LEU A 64 -2.571 11.166 3.456 1.00 53.43 C ATOM 1030 CG LEU A 64 -2.566 11.614 4.918 1.00 55.22 C ATOM 1031 CD1 LEU A 64 -1.976 10.529 5.806 1.00 73.04 C ATOM 1032 CD2 LEU A 64 -1.791 12.914 5.075 1.00 61.15 C ATOM 0 H LEU A 64 -2.084 8.748 3.592 1.00 33.32 H new ATOM 0 HA LEU A 64 -4.500 10.246 3.687 1.00 73.33 H new ATOM 0 HB2 LEU A 64 -1.580 10.784 3.210 1.00 53.43 H new ATOM 0 HB3 LEU A 64 -2.739 12.042 2.829 1.00 53.43 H new ATOM 0 HG LEU A 64 -3.596 11.789 5.228 1.00 55.22 H new ATOM 0 HD11 LEU A 64 -1.980 10.865 6.843 1.00 73.04 H new ATOM 0 HD12 LEU A 64 -2.573 9.621 5.716 1.00 73.04 H new ATOM 0 HD13 LEU A 64 -0.952 10.322 5.496 1.00 73.04 H new ATOM 0 HD21 LEU A 64 -1.798 13.218 6.122 1.00 61.15 H new ATOM 0 HD22 LEU A 64 -0.762 12.766 4.747 1.00 61.15 H new ATOM 0 HD23 LEU A 64 -2.257 13.691 4.469 1.00 61.15 H new ATOM 1044 N ASP A 65 -3.581 9.260 0.809 1.00 24.35 N ATOM 1045 CA ASP A 65 -3.883 9.269 -0.617 1.00 21.20 C ATOM 1046 C ASP A 65 -5.122 8.430 -0.915 1.00 45.12 C ATOM 1047 O ASP A 65 -6.111 8.933 -1.449 1.00 24.21 O ATOM 1048 CB ASP A 65 -2.691 8.742 -1.416 1.00 62.51 C ATOM 1049 CG ASP A 65 -2.836 8.990 -2.905 1.00 64.40 C ATOM 1050 OD1 ASP A 65 -3.933 8.736 -3.444 1.00 64.41 O ATOM 1051 OD2 ASP A 65 -1.852 9.436 -3.530 1.00 52.43 O ATOM 0 H ASP A 65 -3.043 8.451 1.121 1.00 24.35 H new ATOM 0 HA ASP A 65 -4.083 10.298 -0.914 1.00 21.20 H new ATOM 0 HB2 ASP A 65 -1.778 9.219 -1.058 1.00 62.51 H new ATOM 0 HB3 ASP A 65 -2.582 7.672 -1.238 1.00 62.51 H new ATOM 1056 N ILE A 66 -5.060 7.148 -0.569 1.00 33.00 N ATOM 1057 CA ILE A 66 -6.176 6.240 -0.800 1.00 61.30 C ATOM 1058 C ILE A 66 -7.451 6.758 -0.143 1.00 33.35 C ATOM 1059 O ILE A 66 -8.519 6.765 -0.755 1.00 22.44 O ATOM 1060 CB ILE A 66 -5.873 4.828 -0.264 1.00 61.14 C ATOM 1061 CG1 ILE A 66 -4.572 4.298 -0.870 1.00 61.21 C ATOM 1062 CG2 ILE A 66 -7.028 3.887 -0.570 1.00 60.45 C ATOM 1063 CD1 ILE A 66 -4.155 2.951 -0.321 1.00 44.03 C ATOM 0 H ILE A 66 -4.249 6.715 -0.128 1.00 33.00 H new ATOM 0 HA ILE A 66 -6.322 6.187 -1.879 1.00 61.30 H new ATOM 0 HB ILE A 66 -5.752 4.883 0.818 1.00 61.14 H new ATOM 0 HG12 ILE A 66 -4.689 4.220 -1.951 1.00 61.21 H new ATOM 0 HG13 ILE A 66 -3.775 5.019 -0.687 1.00 61.21 H new ATOM 0 HG21 ILE A 66 -6.799 2.893 -0.185 1.00 60.45 H new ATOM 0 HG22 ILE A 66 -7.936 4.260 -0.096 1.00 60.45 H new ATOM 0 HG23 ILE A 66 -7.177 3.833 -1.648 1.00 60.45 H new ATOM 0 HD11 ILE A 66 -3.225 2.637 -0.795 1.00 44.03 H new ATOM 0 HD12 ILE A 66 -4.005 3.028 0.756 1.00 44.03 H new ATOM 0 HD13 ILE A 66 -4.934 2.217 -0.528 1.00 44.03 H new ATOM 1075 N SER A 67 -7.331 7.193 1.108 1.00 62.05 N ATOM 1076 CA SER A 67 -8.475 7.711 1.850 1.00 45.53 C ATOM 1077 C SER A 67 -9.234 8.744 1.024 1.00 14.44 C ATOM 1078 O SER A 67 -10.459 8.684 0.906 1.00 70.04 O ATOM 1079 CB SER A 67 -8.013 8.335 3.168 1.00 32.24 C ATOM 1080 OG SER A 67 -7.860 7.348 4.174 1.00 62.31 O ATOM 0 H SER A 67 -6.454 7.197 1.628 1.00 62.05 H new ATOM 0 HA SER A 67 -9.146 6.879 2.065 1.00 45.53 H new ATOM 0 HB2 SER A 67 -7.066 8.854 3.016 1.00 32.24 H new ATOM 0 HB3 SER A 67 -8.737 9.082 3.494 1.00 32.24 H new ATOM 0 HG SER A 67 -6.921 7.073 4.222 1.00 62.31 H new ATOM 1086 N LYS A 68 -8.500 9.693 0.453 1.00 12.53 N ATOM 1087 CA LYS A 68 -9.102 10.741 -0.363 1.00 41.23 C ATOM 1088 C LYS A 68 -9.740 10.153 -1.618 1.00 44.42 C ATOM 1089 O LYS A 68 -10.746 10.663 -2.111 1.00 62.41 O ATOM 1090 CB LYS A 68 -8.049 11.781 -0.752 1.00 74.21 C ATOM 1091 CG LYS A 68 -7.582 11.665 -2.192 1.00 71.53 C ATOM 1092 CD LYS A 68 -6.397 12.574 -2.470 1.00 12.22 C ATOM 1093 CE LYS A 68 -6.847 13.973 -2.859 1.00 51.41 C ATOM 1094 NZ LYS A 68 -5.718 14.797 -3.374 1.00 21.22 N ATOM 0 H LYS A 68 -7.486 9.758 0.540 1.00 12.53 H new ATOM 0 HA LYS A 68 -9.881 11.225 0.227 1.00 41.23 H new ATOM 0 HB2 LYS A 68 -8.459 12.778 -0.591 1.00 74.21 H new ATOM 0 HB3 LYS A 68 -7.189 11.679 -0.091 1.00 74.21 H new ATOM 0 HG2 LYS A 68 -7.306 10.632 -2.404 1.00 71.53 H new ATOM 0 HG3 LYS A 68 -8.402 11.920 -2.863 1.00 71.53 H new ATOM 0 HD2 LYS A 68 -5.763 12.628 -1.585 1.00 12.22 H new ATOM 0 HD3 LYS A 68 -5.792 12.150 -3.271 1.00 12.22 H new ATOM 0 HE2 LYS A 68 -7.624 13.906 -3.620 1.00 51.41 H new ATOM 0 HE3 LYS A 68 -7.290 14.465 -1.994 1.00 51.41 H new ATOM 0 HZ1 LYS A 68 -6.067 15.743 -3.628 1.00 21.22 H new ATOM 0 HZ2 LYS A 68 -4.987 14.883 -2.639 1.00 21.22 H new ATOM 0 HZ3 LYS A 68 -5.311 14.341 -4.215 1.00 21.22 H new ATOM 1108 N ALA A 69 -9.148 9.079 -2.129 1.00 61.54 N ATOM 1109 CA ALA A 69 -9.661 8.421 -3.324 1.00 63.32 C ATOM 1110 C ALA A 69 -11.014 7.770 -3.056 1.00 4.24 C ATOM 1111 O ALA A 69 -11.774 7.492 -3.983 1.00 64.40 O ATOM 1112 CB ALA A 69 -8.665 7.384 -3.824 1.00 12.23 C ATOM 0 H ALA A 69 -8.313 8.646 -1.734 1.00 61.54 H new ATOM 0 HA ALA A 69 -9.799 9.179 -4.095 1.00 63.32 H new ATOM 0 HB1 ALA A 69 -9.061 6.900 -4.717 1.00 12.23 H new ATOM 0 HB2 ALA A 69 -7.721 7.873 -4.064 1.00 12.23 H new ATOM 0 HB3 ALA A 69 -8.499 6.636 -3.049 1.00 12.23 H new ATOM 1118 N ILE A 70 -11.307 7.531 -1.782 1.00 75.20 N ATOM 1119 CA ILE A 70 -12.569 6.914 -1.392 1.00 31.33 C ATOM 1120 C ILE A 70 -13.752 7.802 -1.762 1.00 73.43 C ATOM 1121 O ILE A 70 -14.525 7.478 -2.665 1.00 0.11 O ATOM 1122 CB ILE A 70 -12.611 6.625 0.121 1.00 52.44 C ATOM 1123 CG1 ILE A 70 -11.357 5.864 0.552 1.00 43.02 C ATOM 1124 CG2 ILE A 70 -13.864 5.838 0.475 1.00 11.21 C ATOM 1125 CD1 ILE A 70 -11.340 5.511 2.023 1.00 70.00 C ATOM 0 H ILE A 70 -10.688 7.755 -1.003 1.00 75.20 H new ATOM 0 HA ILE A 70 -12.641 5.972 -1.935 1.00 31.33 H new ATOM 0 HB ILE A 70 -12.638 7.574 0.657 1.00 52.44 H new ATOM 0 HG12 ILE A 70 -11.278 4.948 -0.034 1.00 43.02 H new ATOM 0 HG13 ILE A 70 -10.479 6.467 0.321 1.00 43.02 H new ATOM 0 HG21 ILE A 70 -13.879 5.641 1.547 1.00 11.21 H new ATOM 0 HG22 ILE A 70 -14.746 6.415 0.199 1.00 11.21 H new ATOM 0 HG23 ILE A 70 -13.865 4.892 -0.067 1.00 11.21 H new ATOM 0 HD11 ILE A 70 -10.422 4.973 2.257 1.00 70.00 H new ATOM 0 HD12 ILE A 70 -11.387 6.424 2.617 1.00 70.00 H new ATOM 0 HD13 ILE A 70 -12.199 4.882 2.256 1.00 70.00 H new ATOM 1137 N ARG A 71 -13.887 8.922 -1.061 1.00 43.20 N ATOM 1138 CA ARG A 71 -14.976 9.857 -1.316 1.00 62.12 C ATOM 1139 C ARG A 71 -14.970 10.314 -2.772 1.00 14.24 C ATOM 1140 O ARG A 71 -16.007 10.682 -3.321 1.00 50.40 O ATOM 1141 CB ARG A 71 -14.864 11.069 -0.389 1.00 53.11 C ATOM 1142 CG ARG A 71 -13.499 11.736 -0.421 1.00 24.43 C ATOM 1143 CD ARG A 71 -13.464 12.977 0.456 1.00 11.24 C ATOM 1144 NE ARG A 71 -12.109 13.304 0.890 1.00 0.11 N ATOM 1145 CZ ARG A 71 -11.432 12.593 1.786 1.00 11.23 C ATOM 1146 NH1 ARG A 71 -11.983 11.522 2.339 1.00 21.42 N ATOM 1147 NH2 ARG A 71 -10.203 12.954 2.129 1.00 11.23 N ATOM 0 H ARG A 71 -13.256 9.205 -0.311 1.00 43.20 H new ATOM 0 HA ARG A 71 -15.917 9.343 -1.118 1.00 62.12 H new ATOM 0 HB2 ARG A 71 -15.623 11.800 -0.668 1.00 53.11 H new ATOM 0 HB3 ARG A 71 -15.082 10.756 0.632 1.00 53.11 H new ATOM 0 HG2 ARG A 71 -12.740 11.030 -0.084 1.00 24.43 H new ATOM 0 HG3 ARG A 71 -13.249 12.007 -1.447 1.00 24.43 H new ATOM 0 HD2 ARG A 71 -13.882 13.821 -0.093 1.00 11.24 H new ATOM 0 HD3 ARG A 71 -14.096 12.821 1.330 1.00 11.24 H new ATOM 0 HE ARG A 71 -11.657 14.123 0.483 1.00 0.11 H new ATOM 0 HH11 ARG A 71 -12.928 11.242 2.077 1.00 21.42 H new ATOM 0 HH12 ARG A 71 -11.462 10.978 3.026 1.00 21.42 H new ATOM 0 HH21 ARG A 71 -9.776 13.778 1.705 1.00 11.23 H new ATOM 0 HH22 ARG A 71 -9.684 12.408 2.817 1.00 11.23 H new ATOM 1161 N ASN A 72 -13.794 10.289 -3.390 1.00 22.13 N ATOM 1162 CA ASN A 72 -13.652 10.701 -4.782 1.00 0.13 C ATOM 1163 C ASN A 72 -14.622 9.936 -5.677 1.00 51.23 C ATOM 1164 O ASN A 72 -15.631 10.482 -6.126 1.00 2.12 O ATOM 1165 CB ASN A 72 -12.215 10.477 -5.258 1.00 73.31 C ATOM 1166 CG ASN A 72 -11.406 11.759 -5.276 1.00 51.42 C ATOM 1167 OD1 ASN A 72 -10.689 12.040 -6.238 1.00 35.32 O ATOM 1168 ND2 ASN A 72 -11.515 12.543 -4.210 1.00 14.31 N ATOM 0 H ASN A 72 -12.925 9.988 -2.949 1.00 22.13 H new ATOM 0 HA ASN A 72 -13.887 11.763 -4.847 1.00 0.13 H new ATOM 0 HB2 ASN A 72 -11.728 9.752 -4.606 1.00 73.31 H new ATOM 0 HB3 ASN A 72 -12.230 10.046 -6.259 1.00 73.31 H new ATOM 0 HD21 ASN A 72 -10.993 13.418 -4.165 1.00 14.31 H new ATOM 0 HD22 ASN A 72 -12.121 12.270 -3.436 1.00 14.31 H new ATOM 1175 N ASP A 73 -14.311 8.671 -5.932 1.00 24.40 N ATOM 1176 CA ASP A 73 -15.155 7.830 -6.773 1.00 2.21 C ATOM 1177 C ASP A 73 -16.087 6.973 -5.922 1.00 10.01 C ATOM 1178 O ASP A 73 -16.543 5.916 -6.355 1.00 65.32 O ATOM 1179 CB ASP A 73 -14.294 6.936 -7.666 1.00 72.12 C ATOM 1180 CG ASP A 73 -13.811 7.655 -8.910 1.00 44.42 C ATOM 1181 OD1 ASP A 73 -14.496 8.601 -9.353 1.00 3.04 O ATOM 1182 OD2 ASP A 73 -12.747 7.272 -9.442 1.00 55.23 O ATOM 0 H ASP A 73 -13.480 8.204 -5.568 1.00 24.40 H new ATOM 0 HA ASP A 73 -15.762 8.481 -7.402 1.00 2.21 H new ATOM 0 HB2 ASP A 73 -13.434 6.580 -7.098 1.00 72.12 H new ATOM 0 HB3 ASP A 73 -14.869 6.057 -7.958 1.00 72.12 H new ATOM 1187 N GLY A 74 -16.365 7.437 -4.707 1.00 21.32 N ATOM 1188 CA GLY A 74 -17.239 6.699 -3.814 1.00 34.32 C ATOM 1189 C GLY A 74 -16.821 5.251 -3.657 1.00 62.11 C ATOM 1190 O GLY A 74 -17.642 4.342 -3.784 1.00 32.04 O ATOM 0 H GLY A 74 -16.001 8.310 -4.326 1.00 21.32 H new ATOM 0 HA2 GLY A 74 -17.244 7.180 -2.836 1.00 34.32 H new ATOM 0 HA3 GLY A 74 -18.260 6.740 -4.194 1.00 34.32 H new ATOM 1194 N VAL A 75 -15.538 5.034 -3.382 1.00 30.40 N ATOM 1195 CA VAL A 75 -15.012 3.685 -3.208 1.00 11.54 C ATOM 1196 C VAL A 75 -15.337 3.143 -1.821 1.00 31.10 C ATOM 1197 O VAL A 75 -15.545 3.904 -0.877 1.00 14.34 O ATOM 1198 CB VAL A 75 -13.486 3.648 -3.417 1.00 71.42 C ATOM 1199 CG1 VAL A 75 -12.998 2.212 -3.532 1.00 34.43 C ATOM 1200 CG2 VAL A 75 -13.098 4.451 -4.650 1.00 1.23 C ATOM 0 H VAL A 75 -14.845 5.774 -3.275 1.00 30.40 H new ATOM 0 HA VAL A 75 -15.491 3.058 -3.961 1.00 11.54 H new ATOM 0 HB VAL A 75 -13.007 4.102 -2.550 1.00 71.42 H new ATOM 0 HG11 VAL A 75 -11.918 2.205 -3.679 1.00 34.43 H new ATOM 0 HG12 VAL A 75 -13.243 1.670 -2.618 1.00 34.43 H new ATOM 0 HG13 VAL A 75 -13.483 1.730 -4.381 1.00 34.43 H new ATOM 0 HG21 VAL A 75 -12.017 4.414 -4.783 1.00 1.23 H new ATOM 0 HG22 VAL A 75 -13.586 4.028 -5.528 1.00 1.23 H new ATOM 0 HG23 VAL A 75 -13.413 5.487 -4.524 1.00 1.23 H new ATOM 1210 N THR A 76 -15.379 1.819 -1.704 1.00 42.01 N ATOM 1211 CA THR A 76 -15.680 1.173 -0.433 1.00 23.54 C ATOM 1212 C THR A 76 -14.774 -0.030 -0.200 1.00 62.32 C ATOM 1213 O THR A 76 -14.880 -1.044 -0.892 1.00 20.32 O ATOM 1214 CB THR A 76 -17.149 0.715 -0.369 1.00 44.34 C ATOM 1215 OG1 THR A 76 -18.000 1.719 -0.932 1.00 61.10 O ATOM 1216 CG2 THR A 76 -17.566 0.435 1.067 1.00 14.50 C ATOM 0 H THR A 76 -15.208 1.173 -2.475 1.00 42.01 H new ATOM 0 HA THR A 76 -15.504 1.914 0.347 1.00 23.54 H new ATOM 0 HB THR A 76 -17.245 -0.206 -0.944 1.00 44.34 H new ATOM 0 HG1 THR A 76 -18.932 1.420 -0.889 1.00 61.10 H new ATOM 0 HG21 THR A 76 -18.607 0.113 1.087 1.00 14.50 H new ATOM 0 HG22 THR A 76 -16.935 -0.351 1.482 1.00 14.50 H new ATOM 0 HG23 THR A 76 -17.455 1.342 1.662 1.00 14.50 H new ATOM 1224 N LEU A 77 -13.883 0.087 0.778 1.00 64.12 N ATOM 1225 CA LEU A 77 -12.957 -0.993 1.103 1.00 21.41 C ATOM 1226 C LEU A 77 -13.672 -2.118 1.845 1.00 20.31 C ATOM 1227 O LEU A 77 -14.471 -1.870 2.748 1.00 21.51 O ATOM 1228 CB LEU A 77 -11.801 -0.462 1.952 1.00 25.31 C ATOM 1229 CG LEU A 77 -11.140 0.824 1.456 1.00 50.51 C ATOM 1230 CD1 LEU A 77 -11.580 2.011 2.299 1.00 32.45 C ATOM 1231 CD2 LEU A 77 -9.624 0.688 1.477 1.00 61.42 C ATOM 0 H LEU A 77 -13.782 0.919 1.360 1.00 64.12 H new ATOM 0 HA LEU A 77 -12.561 -1.392 0.169 1.00 21.41 H new ATOM 0 HB2 LEU A 77 -12.168 -0.291 2.964 1.00 25.31 H new ATOM 0 HB3 LEU A 77 -11.038 -1.238 2.017 1.00 25.31 H new ATOM 0 HG LEU A 77 -11.456 0.997 0.427 1.00 50.51 H new ATOM 0 HD11 LEU A 77 -11.099 2.917 1.931 1.00 32.45 H new ATOM 0 HD12 LEU A 77 -12.662 2.122 2.234 1.00 32.45 H new ATOM 0 HD13 LEU A 77 -11.294 1.845 3.338 1.00 32.45 H new ATOM 0 HD21 LEU A 77 -9.171 1.613 1.121 1.00 61.42 H new ATOM 0 HD22 LEU A 77 -9.291 0.489 2.496 1.00 61.42 H new ATOM 0 HD23 LEU A 77 -9.324 -0.136 0.830 1.00 61.42 H new ATOM 1243 N SER A 78 -13.378 -3.355 1.458 1.00 23.52 N ATOM 1244 CA SER A 78 -13.993 -4.520 2.086 1.00 51.45 C ATOM 1245 C SER A 78 -13.389 -4.779 3.461 1.00 4.22 C ATOM 1246 O SER A 78 -12.482 -4.069 3.898 1.00 72.12 O ATOM 1247 CB SER A 78 -13.820 -5.754 1.199 1.00 53.23 C ATOM 1248 OG SER A 78 -14.747 -5.746 0.127 1.00 33.40 O ATOM 0 H SER A 78 -12.718 -3.577 0.713 1.00 23.52 H new ATOM 0 HA SER A 78 -15.057 -4.316 2.209 1.00 51.45 H new ATOM 0 HB2 SER A 78 -12.804 -5.783 0.805 1.00 53.23 H new ATOM 0 HB3 SER A 78 -13.957 -6.656 1.795 1.00 53.23 H new ATOM 0 HG SER A 78 -14.615 -6.544 -0.426 1.00 33.40 H new ATOM 1254 N ASP A 79 -13.897 -5.802 4.140 1.00 3.34 N ATOM 1255 CA ASP A 79 -13.406 -6.158 5.468 1.00 55.55 C ATOM 1256 C ASP A 79 -11.889 -6.307 5.464 1.00 4.21 C ATOM 1257 O ASP A 79 -11.177 -5.533 6.105 1.00 3.51 O ATOM 1258 CB ASP A 79 -14.058 -7.456 5.944 1.00 74.33 C ATOM 1259 CG ASP A 79 -15.405 -7.221 6.599 1.00 23.10 C ATOM 1260 OD1 ASP A 79 -16.324 -6.732 5.909 1.00 44.21 O ATOM 1261 OD2 ASP A 79 -15.541 -7.527 7.803 1.00 31.01 O ATOM 0 H ASP A 79 -14.648 -6.399 3.794 1.00 3.34 H new ATOM 0 HA ASP A 79 -13.672 -5.354 6.155 1.00 55.55 H new ATOM 0 HB2 ASP A 79 -14.182 -8.129 5.096 1.00 74.33 H new ATOM 0 HB3 ASP A 79 -13.395 -7.954 6.652 1.00 74.33 H new ATOM 1266 N TYR A 80 -11.400 -7.307 4.740 1.00 45.34 N ATOM 1267 CA TYR A 80 -9.966 -7.561 4.656 1.00 1.22 C ATOM 1268 C TYR A 80 -9.211 -6.295 4.261 1.00 33.05 C ATOM 1269 O TYR A 80 -8.122 -6.027 4.767 1.00 43.21 O ATOM 1270 CB TYR A 80 -9.681 -8.673 3.645 1.00 34.44 C ATOM 1271 CG TYR A 80 -10.116 -8.337 2.237 1.00 44.04 C ATOM 1272 CD1 TYR A 80 -11.440 -8.482 1.844 1.00 35.21 C ATOM 1273 CD2 TYR A 80 -9.200 -7.875 1.299 1.00 73.40 C ATOM 1274 CE1 TYR A 80 -11.841 -8.178 0.557 1.00 14.35 C ATOM 1275 CE2 TYR A 80 -9.593 -7.566 0.011 1.00 10.10 C ATOM 1276 CZ TYR A 80 -10.914 -7.719 -0.355 1.00 52.12 C ATOM 1277 OH TYR A 80 -11.308 -7.414 -1.638 1.00 12.11 O ATOM 0 H TYR A 80 -11.975 -7.956 4.202 1.00 45.34 H new ATOM 0 HA TYR A 80 -9.621 -7.877 5.641 1.00 1.22 H new ATOM 0 HB2 TYR A 80 -8.612 -8.887 3.645 1.00 34.44 H new ATOM 0 HB3 TYR A 80 -10.188 -9.583 3.966 1.00 34.44 H new ATOM 0 HD1 TYR A 80 -12.169 -8.839 2.557 1.00 35.21 H new ATOM 0 HD2 TYR A 80 -8.164 -7.756 1.582 1.00 73.40 H new ATOM 0 HE1 TYR A 80 -12.874 -8.299 0.267 1.00 14.35 H new ATOM 0 HE2 TYR A 80 -8.869 -7.206 -0.706 1.00 10.10 H new ATOM 0 HH TYR A 80 -10.534 -7.103 -2.153 1.00 12.11 H new ATOM 1287 N GLN A 81 -9.799 -5.521 3.355 1.00 13.41 N ATOM 1288 CA GLN A 81 -9.183 -4.283 2.892 1.00 12.01 C ATOM 1289 C GLN A 81 -8.970 -3.315 4.050 1.00 15.45 C ATOM 1290 O GLN A 81 -7.836 -3.042 4.444 1.00 11.41 O ATOM 1291 CB GLN A 81 -10.051 -3.628 1.817 1.00 73.33 C ATOM 1292 CG GLN A 81 -10.100 -4.410 0.515 1.00 43.05 C ATOM 1293 CD GLN A 81 -10.147 -3.511 -0.705 1.00 40.42 C ATOM 1294 OE1 GLN A 81 -10.512 -2.338 -0.613 1.00 73.21 O ATOM 1295 NE2 GLN A 81 -9.774 -4.055 -1.858 1.00 0.21 N ATOM 0 H GLN A 81 -10.701 -5.729 2.927 1.00 13.41 H new ATOM 0 HA GLN A 81 -8.211 -4.528 2.464 1.00 12.01 H new ATOM 0 HB2 GLN A 81 -11.065 -3.513 2.201 1.00 73.33 H new ATOM 0 HB3 GLN A 81 -9.671 -2.626 1.616 1.00 73.33 H new ATOM 0 HG2 GLN A 81 -9.225 -5.057 0.451 1.00 43.05 H new ATOM 0 HG3 GLN A 81 -10.976 -5.058 0.518 1.00 43.05 H new ATOM 0 HE21 GLN A 81 -9.479 -5.031 -1.890 1.00 0.21 H new ATOM 0 HE22 GLN A 81 -9.783 -3.497 -2.712 1.00 0.21 H new ATOM 1304 N SER A 82 -10.069 -2.797 4.593 1.00 25.00 N ATOM 1305 CA SER A 82 -10.002 -1.855 5.704 1.00 24.20 C ATOM 1306 C SER A 82 -9.110 -2.393 6.820 1.00 71.45 C ATOM 1307 O SER A 82 -8.413 -1.635 7.493 1.00 23.04 O ATOM 1308 CB SER A 82 -11.404 -1.575 6.247 1.00 11.31 C ATOM 1309 OG SER A 82 -11.427 -0.378 7.008 1.00 64.35 O ATOM 0 H SER A 82 -11.015 -3.014 4.281 1.00 25.00 H new ATOM 0 HA SER A 82 -9.570 -0.925 5.334 1.00 24.20 H new ATOM 0 HB2 SER A 82 -12.109 -1.497 5.419 1.00 11.31 H new ATOM 0 HB3 SER A 82 -11.731 -2.410 6.867 1.00 11.31 H new ATOM 0 HG SER A 82 -12.335 -0.220 7.343 1.00 64.35 H new ATOM 1315 N LYS A 83 -9.139 -3.708 7.009 1.00 51.04 N ATOM 1316 CA LYS A 83 -8.334 -4.351 8.040 1.00 5.13 C ATOM 1317 C LYS A 83 -6.846 -4.226 7.727 1.00 14.15 C ATOM 1318 O LYS A 83 -6.062 -3.771 8.560 1.00 12.20 O ATOM 1319 CB LYS A 83 -8.716 -5.827 8.168 1.00 25.24 C ATOM 1320 CG LYS A 83 -9.876 -6.075 9.117 1.00 34.01 C ATOM 1321 CD LYS A 83 -10.467 -7.462 8.925 1.00 62.32 C ATOM 1322 CE LYS A 83 -11.933 -7.505 9.328 1.00 2.34 C ATOM 1323 NZ LYS A 83 -12.102 -7.853 10.766 1.00 41.41 N ATOM 0 H LYS A 83 -9.712 -4.349 6.461 1.00 51.04 H new ATOM 0 HA LYS A 83 -8.532 -3.847 8.986 1.00 5.13 H new ATOM 0 HB2 LYS A 83 -8.975 -6.213 7.182 1.00 25.24 H new ATOM 0 HB3 LYS A 83 -7.849 -6.390 8.513 1.00 25.24 H new ATOM 0 HG2 LYS A 83 -9.535 -5.963 10.146 1.00 34.01 H new ATOM 0 HG3 LYS A 83 -10.648 -5.324 8.953 1.00 34.01 H new ATOM 0 HD2 LYS A 83 -10.367 -7.760 7.881 1.00 62.32 H new ATOM 0 HD3 LYS A 83 -9.905 -8.183 9.518 1.00 62.32 H new ATOM 0 HE2 LYS A 83 -12.392 -6.536 9.132 1.00 2.34 H new ATOM 0 HE3 LYS A 83 -12.458 -8.236 8.713 1.00 2.34 H new ATOM 0 HZ1 LYS A 83 -13.115 -7.872 11.002 1.00 41.41 H new ATOM 0 HZ2 LYS A 83 -11.686 -8.789 10.948 1.00 41.41 H new ATOM 0 HZ3 LYS A 83 -11.623 -7.141 11.354 1.00 41.41 H new ATOM 1337 N LYS A 84 -6.464 -4.630 6.521 1.00 1.31 N ATOM 1338 CA LYS A 84 -5.071 -4.560 6.096 1.00 44.04 C ATOM 1339 C LYS A 84 -4.565 -3.122 6.126 1.00 43.14 C ATOM 1340 O LYS A 84 -3.357 -2.879 6.154 1.00 21.15 O ATOM 1341 CB LYS A 84 -4.917 -5.138 4.687 1.00 41.43 C ATOM 1342 CG LYS A 84 -5.066 -4.102 3.586 1.00 74.13 C ATOM 1343 CD LYS A 84 -3.717 -3.578 3.126 1.00 45.14 C ATOM 1344 CE LYS A 84 -3.855 -2.260 2.379 1.00 45.21 C ATOM 1345 NZ LYS A 84 -3.207 -2.312 1.038 1.00 32.15 N ATOM 0 H LYS A 84 -7.100 -5.010 5.820 1.00 1.31 H new ATOM 0 HA LYS A 84 -4.474 -5.151 6.791 1.00 44.04 H new ATOM 0 HB2 LYS A 84 -3.938 -5.609 4.601 1.00 41.43 H new ATOM 0 HB3 LYS A 84 -5.661 -5.921 4.541 1.00 41.43 H new ATOM 0 HG2 LYS A 84 -5.594 -4.542 2.740 1.00 74.13 H new ATOM 0 HG3 LYS A 84 -5.676 -3.273 3.946 1.00 74.13 H new ATOM 0 HD2 LYS A 84 -3.065 -3.442 3.989 1.00 45.14 H new ATOM 0 HD3 LYS A 84 -3.240 -4.315 2.480 1.00 45.14 H new ATOM 0 HE2 LYS A 84 -4.911 -2.017 2.263 1.00 45.21 H new ATOM 0 HE3 LYS A 84 -3.407 -1.460 2.968 1.00 45.21 H new ATOM 0 HZ1 LYS A 84 -3.738 -1.715 0.372 1.00 32.15 H new ATOM 0 HZ2 LYS A 84 -2.230 -1.964 1.111 1.00 32.15 H new ATOM 0 HZ3 LYS A 84 -3.200 -3.293 0.693 1.00 32.15 H new ATOM 1359 N LEU A 85 -5.493 -2.172 6.121 1.00 20.13 N ATOM 1360 CA LEU A 85 -5.140 -0.757 6.150 1.00 23.33 C ATOM 1361 C LEU A 85 -4.479 -0.388 7.474 1.00 12.21 C ATOM 1362 O LEU A 85 -3.597 0.470 7.522 1.00 0.33 O ATOM 1363 CB LEU A 85 -6.385 0.104 5.931 1.00 62.10 C ATOM 1364 CG LEU A 85 -6.197 1.348 5.062 1.00 4.30 C ATOM 1365 CD1 LEU A 85 -5.110 2.242 5.640 1.00 33.24 C ATOM 1366 CD2 LEU A 85 -5.861 0.954 3.632 1.00 42.24 C ATOM 0 H LEU A 85 -6.496 -2.356 6.097 1.00 20.13 H new ATOM 0 HA LEU A 85 -4.429 -0.568 5.345 1.00 23.33 H new ATOM 0 HB2 LEU A 85 -7.157 -0.518 5.478 1.00 62.10 H new ATOM 0 HB3 LEU A 85 -6.760 0.419 6.905 1.00 62.10 H new ATOM 0 HG LEU A 85 -7.133 1.907 5.053 1.00 4.30 H new ATOM 0 HD11 LEU A 85 -4.989 3.123 5.009 1.00 33.24 H new ATOM 0 HD12 LEU A 85 -5.391 2.552 6.646 1.00 33.24 H new ATOM 0 HD13 LEU A 85 -4.170 1.692 5.679 1.00 33.24 H new ATOM 0 HD21 LEU A 85 -5.731 1.852 3.028 1.00 42.24 H new ATOM 0 HD22 LEU A 85 -4.939 0.373 3.622 1.00 42.24 H new ATOM 0 HD23 LEU A 85 -6.672 0.354 3.220 1.00 42.24 H new ATOM 1378 N LYS A 86 -4.910 -1.041 8.547 1.00 32.14 N ATOM 1379 CA LYS A 86 -4.358 -0.785 9.873 1.00 74.23 C ATOM 1380 C LYS A 86 -2.937 -1.327 9.985 1.00 74.42 C ATOM 1381 O LYS A 86 -2.244 -1.076 10.970 1.00 62.40 O ATOM 1382 CB LYS A 86 -5.244 -1.419 10.948 1.00 54.00 C ATOM 1383 CG LYS A 86 -5.000 -2.905 11.138 1.00 22.13 C ATOM 1384 CD LYS A 86 -6.290 -3.648 11.444 1.00 71.53 C ATOM 1385 CE LYS A 86 -6.726 -3.439 12.886 1.00 25.10 C ATOM 1386 NZ LYS A 86 -5.778 -4.068 13.848 1.00 41.23 N ATOM 0 H LYS A 86 -5.641 -1.752 8.525 1.00 32.14 H new ATOM 0 HA LYS A 86 -4.329 0.294 10.025 1.00 74.23 H new ATOM 0 HB2 LYS A 86 -5.074 -0.907 11.895 1.00 54.00 H new ATOM 0 HB3 LYS A 86 -6.290 -1.262 10.684 1.00 54.00 H new ATOM 0 HG2 LYS A 86 -4.546 -3.318 10.237 1.00 22.13 H new ATOM 0 HG3 LYS A 86 -4.290 -3.057 11.951 1.00 22.13 H new ATOM 0 HD2 LYS A 86 -7.077 -3.305 10.772 1.00 71.53 H new ATOM 0 HD3 LYS A 86 -6.151 -4.713 11.256 1.00 71.53 H new ATOM 0 HE2 LYS A 86 -6.798 -2.371 13.093 1.00 25.10 H new ATOM 0 HE3 LYS A 86 -7.721 -3.859 13.029 1.00 25.10 H new ATOM 0 HZ1 LYS A 86 -6.242 -4.176 14.772 1.00 41.23 H new ATOM 0 HZ2 LYS A 86 -5.492 -5.003 13.493 1.00 41.23 H new ATOM 0 HZ3 LYS A 86 -4.937 -3.465 13.951 1.00 41.23 H new ATOM 1400 N GLU A 87 -2.510 -2.071 8.968 1.00 32.35 N ATOM 1401 CA GLU A 87 -1.171 -2.648 8.955 1.00 32.11 C ATOM 1402 C GLU A 87 -0.108 -1.557 9.032 1.00 55.11 C ATOM 1403 O GLU A 87 0.470 -1.310 10.091 1.00 3.32 O ATOM 1404 CB GLU A 87 -0.967 -3.488 7.692 1.00 44.33 C ATOM 1405 CG GLU A 87 -1.799 -4.758 7.664 1.00 72.11 C ATOM 1406 CD GLU A 87 -1.134 -5.908 8.397 1.00 13.35 C ATOM 1407 OE1 GLU A 87 -0.050 -5.691 8.979 1.00 55.00 O ATOM 1408 OE2 GLU A 87 -1.698 -7.021 8.390 1.00 64.30 O ATOM 0 H GLU A 87 -3.071 -2.288 8.144 1.00 32.35 H new ATOM 0 HA GLU A 87 -1.070 -3.290 9.830 1.00 32.11 H new ATOM 0 HB2 GLU A 87 -1.214 -2.883 6.820 1.00 44.33 H new ATOM 0 HB3 GLU A 87 0.087 -3.753 7.608 1.00 44.33 H new ATOM 0 HG2 GLU A 87 -2.772 -4.560 8.113 1.00 72.11 H new ATOM 0 HG3 GLU A 87 -1.979 -5.047 6.629 1.00 72.11 H new ATOM 1415 N LEU A 88 0.145 -0.906 7.901 1.00 2.51 N ATOM 1416 CA LEU A 88 1.140 0.160 7.839 1.00 2.10 C ATOM 1417 C LEU A 88 0.725 1.343 8.706 1.00 23.15 C ATOM 1418 O LEU A 88 1.503 2.275 8.919 1.00 75.21 O ATOM 1419 CB LEU A 88 1.336 0.617 6.393 1.00 74.25 C ATOM 1420 CG LEU A 88 0.065 0.741 5.550 1.00 15.50 C ATOM 1421 CD1 LEU A 88 -0.314 -0.604 4.953 1.00 21.54 C ATOM 1422 CD2 LEU A 88 -1.078 1.296 6.388 1.00 23.01 C ATOM 0 H LEU A 88 -0.324 -1.097 7.016 1.00 2.51 H new ATOM 0 HA LEU A 88 2.082 -0.233 8.221 1.00 2.10 H new ATOM 0 HB2 LEU A 88 1.837 1.585 6.404 1.00 74.25 H new ATOM 0 HB3 LEU A 88 2.009 -0.084 5.899 1.00 74.25 H new ATOM 0 HG LEU A 88 0.261 1.435 4.733 1.00 15.50 H new ATOM 0 HD11 LEU A 88 -1.220 -0.495 4.357 1.00 21.54 H new ATOM 0 HD12 LEU A 88 0.497 -0.962 4.318 1.00 21.54 H new ATOM 0 HD13 LEU A 88 -0.491 -1.321 5.755 1.00 21.54 H new ATOM 0 HD21 LEU A 88 -1.974 1.378 5.773 1.00 23.01 H new ATOM 0 HD22 LEU A 88 -1.273 0.627 7.226 1.00 23.01 H new ATOM 0 HD23 LEU A 88 -0.807 2.282 6.766 1.00 23.01 H new ATOM 1434 N THR A 89 -0.505 1.299 9.210 1.00 2.42 N ATOM 1435 CA THR A 89 -1.022 2.367 10.056 1.00 35.31 C ATOM 1436 C THR A 89 -0.260 2.442 11.374 1.00 42.10 C ATOM 1437 O THR A 89 0.187 3.514 11.784 1.00 71.03 O ATOM 1438 CB THR A 89 -2.521 2.171 10.354 1.00 25.30 C ATOM 1439 OG1 THR A 89 -3.289 2.397 9.167 1.00 11.34 O ATOM 1440 CG2 THR A 89 -2.983 3.117 11.451 1.00 32.13 C ATOM 0 H THR A 89 -1.161 0.535 9.047 1.00 2.42 H new ATOM 0 HA THR A 89 -0.886 3.299 9.507 1.00 35.31 H new ATOM 0 HB THR A 89 -2.671 1.146 10.694 1.00 25.30 H new ATOM 0 HG1 THR A 89 -3.126 1.672 8.529 1.00 11.34 H new ATOM 0 HG21 THR A 89 -4.044 2.960 11.644 1.00 32.13 H new ATOM 0 HG22 THR A 89 -2.416 2.923 12.362 1.00 32.13 H new ATOM 0 HG23 THR A 89 -2.820 4.147 11.135 1.00 32.13 H new ATOM 1448 N SER A 90 -0.114 1.298 12.035 1.00 53.22 N ATOM 1449 CA SER A 90 0.593 1.236 13.310 1.00 74.44 C ATOM 1450 C SER A 90 2.101 1.317 13.098 1.00 53.10 C ATOM 1451 O SER A 90 2.829 1.838 13.944 1.00 25.41 O ATOM 1452 CB SER A 90 0.238 -0.055 14.049 1.00 4.04 C ATOM 1453 OG SER A 90 0.266 -1.169 13.174 1.00 10.24 O ATOM 0 H SER A 90 -0.476 0.402 11.709 1.00 53.22 H new ATOM 0 HA SER A 90 0.283 2.089 13.913 1.00 74.44 H new ATOM 0 HB2 SER A 90 0.940 -0.214 14.867 1.00 4.04 H new ATOM 0 HB3 SER A 90 -0.753 0.038 14.493 1.00 4.04 H new ATOM 0 HG SER A 90 0.037 -1.982 13.672 1.00 10.24 H new ATOM 1459 N ILE A 91 2.563 0.801 11.965 1.00 10.23 N ATOM 1460 CA ILE A 91 3.984 0.816 11.641 1.00 4.05 C ATOM 1461 C ILE A 91 4.456 2.226 11.303 1.00 71.33 C ATOM 1462 O ILE A 91 5.455 2.703 11.840 1.00 50.33 O ATOM 1463 CB ILE A 91 4.303 -0.118 10.459 1.00 70.12 C ATOM 1464 CG1 ILE A 91 3.788 -1.531 10.743 1.00 12.04 C ATOM 1465 CG2 ILE A 91 5.800 -0.139 10.189 1.00 12.22 C ATOM 1466 CD1 ILE A 91 3.987 -2.490 9.591 1.00 3.21 C ATOM 0 H ILE A 91 1.973 0.367 11.255 1.00 10.23 H new ATOM 0 HA ILE A 91 4.513 0.461 12.526 1.00 4.05 H new ATOM 0 HB ILE A 91 3.798 0.261 9.570 1.00 70.12 H new ATOM 0 HG12 ILE A 91 4.296 -1.924 11.624 1.00 12.04 H new ATOM 0 HG13 ILE A 91 2.726 -1.480 10.984 1.00 12.04 H new ATOM 0 HG21 ILE A 91 6.009 -0.804 9.351 1.00 12.22 H new ATOM 0 HG22 ILE A 91 6.140 0.868 9.947 1.00 12.22 H new ATOM 0 HG23 ILE A 91 6.325 -0.496 11.075 1.00 12.22 H new ATOM 0 HD11 ILE A 91 3.599 -3.471 9.863 1.00 3.21 H new ATOM 0 HD12 ILE A 91 3.456 -2.120 8.714 1.00 3.21 H new ATOM 0 HD13 ILE A 91 5.050 -2.571 9.364 1.00 3.21 H new ATOM 1478 N SER A 92 3.728 2.888 10.409 1.00 4.41 N ATOM 1479 CA SER A 92 4.073 4.244 9.997 1.00 71.20 C ATOM 1480 C SER A 92 3.790 5.241 11.116 1.00 52.50 C ATOM 1481 O SER A 92 2.837 5.082 11.877 1.00 20.24 O ATOM 1482 CB SER A 92 3.289 4.632 8.741 1.00 2.31 C ATOM 1483 OG SER A 92 3.890 5.736 8.086 1.00 13.21 O ATOM 0 H SER A 92 2.897 2.508 9.957 1.00 4.41 H new ATOM 0 HA SER A 92 5.140 4.270 9.774 1.00 71.20 H new ATOM 0 HB2 SER A 92 3.243 3.782 8.060 1.00 2.31 H new ATOM 0 HB3 SER A 92 2.263 4.880 9.011 1.00 2.31 H new ATOM 0 HG SER A 92 3.372 5.963 7.286 1.00 13.21 H new