USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 530 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 32 TYR OH : rot -30:sc= 0.263 USER MOD Set 1.2: A 62 LYS NZ :NH3+ -132:sc= 0.272 (180deg=-0.0337) USER MOD Set 2.1: A 18 GLN : amide:sc= 0.0302 X(o=0.06,f=0.52) USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 14 HIS : no HD1:sc= -0.245 K(o=-0.24,f=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.212 K(o=-0.21,f=-2.7!) USER MOD Single : A 27 MET CE :methyl 177:sc= 0 (180deg=-0.0249) USER MOD Single : A 36 THR OG1 : rot -126:sc= -0.191 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 50 SER OG : rot 180:sc= 0 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 ASN : amide:sc= -0.733 X(o=-0.73,f=-0.91) USER MOD Single : A 64 TYR OH : rot -157:sc= 0.755 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 12:sc= -0.981 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.3!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00273 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 8.164 -0.610 5.192 1.00 0.00 N ATOM 143 CA LEU A 13 7.225 0.495 5.344 1.00 0.00 C ATOM 144 C LEU A 13 6.411 0.344 6.625 1.00 0.00 C ATOM 145 O LEU A 13 6.083 -0.768 7.037 1.00 0.00 O ATOM 146 CB LEU A 13 6.289 0.567 4.137 1.00 0.00 C ATOM 147 CG LEU A 13 6.850 1.315 2.927 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.044 0.990 1.678 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.857 2.814 3.183 1.00 0.00 C ATOM 0 HA LEU A 13 7.798 1.420 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.036 -0.448 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.361 1.049 4.444 1.00 0.00 H new ATOM 0 HG LEU A 13 7.878 0.989 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.458 1.531 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.090 -0.082 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.006 1.287 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.259 3.330 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.839 3.156 3.369 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.478 3.032 4.052 1.00 0.00 H new ATOM 161 N HIS A 14 6.089 1.472 7.252 1.00 0.00 N ATOM 162 CA HIS A 14 5.314 1.464 8.487 1.00 0.00 C ATOM 163 C HIS A 14 3.880 1.918 8.233 1.00 0.00 C ATOM 164 O HIS A 14 3.516 2.255 7.107 1.00 0.00 O ATOM 165 CB HIS A 14 5.972 2.369 9.532 1.00 0.00 C ATOM 166 CG HIS A 14 6.039 1.757 10.897 1.00 0.00 C ATOM 167 ND1 HIS A 14 5.293 0.667 11.287 1.00 0.00 N ATOM 168 CD2 HIS A 14 6.788 2.104 11.974 1.00 0.00 C ATOM 169 CE1 HIS A 14 5.603 0.392 12.562 1.00 0.00 C ATOM 170 NE2 HIS A 14 6.506 1.235 13.025 1.00 0.00 N ATOM 0 H HIS A 14 6.353 2.401 6.925 1.00 0.00 H new ATOM 0 HA HIS A 14 5.290 0.442 8.865 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.982 2.615 9.203 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.418 3.306 9.590 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.491 2.923 12.010 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.170 -0.414 13.135 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.914 1.248 13.960 1.00 0.00 H new ATOM 178 N GLU A 15 3.071 1.925 9.287 1.00 0.00 N ATOM 179 CA GLU A 15 1.677 2.337 9.178 1.00 0.00 C ATOM 180 C GLU A 15 1.557 3.858 9.203 1.00 0.00 C ATOM 181 O GLU A 15 1.951 4.506 10.172 1.00 0.00 O ATOM 182 CB GLU A 15 0.853 1.730 10.315 1.00 0.00 C ATOM 183 CG GLU A 15 0.484 0.273 10.087 1.00 0.00 C ATOM 184 CD GLU A 15 0.681 -0.579 11.325 1.00 0.00 C ATOM 185 OE1 GLU A 15 0.139 -0.215 12.390 1.00 0.00 O ATOM 186 OE2 GLU A 15 1.377 -1.611 11.229 1.00 0.00 O ATOM 0 H GLU A 15 3.357 1.650 10.227 1.00 0.00 H new ATOM 0 HA GLU A 15 1.290 1.975 8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.416 1.813 11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.060 2.312 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.557 0.211 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.089 -0.128 9.274 1.00 0.00 H new ATOM 193 N GLY A 16 1.009 4.421 8.130 1.00 0.00 N ATOM 194 CA GLY A 16 0.847 5.860 8.050 1.00 0.00 C ATOM 195 C GLY A 16 2.018 6.537 7.365 1.00 0.00 C ATOM 196 O GLY A 16 2.327 7.694 7.650 1.00 0.00 O ATOM 0 H GLY A 16 0.675 3.906 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.070 6.090 7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.733 6.266 9.055 1.00 0.00 H new ATOM 200 N SER A 17 2.672 5.814 6.462 1.00 0.00 N ATOM 201 CA SER A 17 3.815 6.351 5.735 1.00 0.00 C ATOM 202 C SER A 17 3.374 6.986 4.420 1.00 0.00 C ATOM 203 O SER A 17 2.236 6.808 3.984 1.00 0.00 O ATOM 204 CB SER A 17 4.839 5.248 5.463 1.00 0.00 C ATOM 205 OG SER A 17 5.815 5.193 6.490 1.00 0.00 O ATOM 0 H SER A 17 2.429 4.854 6.216 1.00 0.00 H new ATOM 0 HA SER A 17 4.277 7.121 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.331 4.286 5.388 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.325 5.427 4.504 1.00 0.00 H new ATOM 0 HG SER A 17 6.457 4.479 6.294 1.00 0.00 H new ATOM 211 N GLN A 18 4.281 7.727 3.792 1.00 0.00 N ATOM 212 CA GLN A 18 3.985 8.389 2.527 1.00 0.00 C ATOM 213 C GLN A 18 4.850 7.826 1.403 1.00 0.00 C ATOM 214 O GLN A 18 6.076 7.939 1.436 1.00 0.00 O ATOM 215 CB GLN A 18 4.207 9.897 2.651 1.00 0.00 C ATOM 216 CG GLN A 18 3.542 10.510 3.873 1.00 0.00 C ATOM 217 CD GLN A 18 2.130 10.984 3.592 1.00 0.00 C ATOM 218 OE1 GLN A 18 1.914 11.882 2.778 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.158 10.381 4.267 1.00 0.00 N ATOM 0 H GLN A 18 5.227 7.884 4.139 1.00 0.00 H new ATOM 0 HA GLN A 18 2.939 8.202 2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.278 10.096 2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.825 10.387 1.755 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.521 9.775 4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.140 11.351 4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.382 9.641 4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.187 10.658 4.120 1.00 0.00 H new ATOM 228 N VAL A 19 4.205 7.223 0.411 1.00 0.00 N ATOM 229 CA VAL A 19 4.915 6.644 -0.723 1.00 0.00 C ATOM 230 C VAL A 19 4.427 7.241 -2.039 1.00 0.00 C ATOM 231 O VAL A 19 3.501 8.052 -2.059 1.00 0.00 O ATOM 232 CB VAL A 19 4.745 5.115 -0.771 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.477 4.458 0.390 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.271 4.740 -0.761 1.00 0.00 C ATOM 0 H VAL A 19 3.191 7.122 0.369 1.00 0.00 H new ATOM 0 HA VAL A 19 5.971 6.880 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 19 5.183 4.750 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.345 3.377 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.539 4.697 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.072 4.829 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.171 3.655 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.805 5.119 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.778 5.177 -1.629 1.00 0.00 H new ATOM 244 N LEU A 20 5.056 6.833 -3.136 1.00 0.00 N ATOM 245 CA LEU A 20 4.686 7.327 -4.457 1.00 0.00 C ATOM 246 C LEU A 20 4.571 6.179 -5.454 1.00 0.00 C ATOM 247 O LEU A 20 5.337 5.217 -5.399 1.00 0.00 O ATOM 248 CB LEU A 20 5.713 8.347 -4.952 1.00 0.00 C ATOM 249 CG LEU A 20 5.363 9.026 -6.277 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.342 10.132 -6.056 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.615 9.581 -6.939 1.00 0.00 C ATOM 0 H LEU A 20 5.824 6.162 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 20 3.714 7.813 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.837 9.115 -4.189 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.676 7.848 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 20 4.925 8.280 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.105 10.604 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.435 9.709 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.754 10.877 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.347 10.060 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.082 10.313 -6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.315 8.768 -7.132 1.00 0.00 H new ATOM 263 N LEU A 21 3.609 6.285 -6.365 1.00 0.00 N ATOM 264 CA LEU A 21 3.394 5.255 -7.374 1.00 0.00 C ATOM 265 C LEU A 21 4.279 5.494 -8.593 1.00 0.00 C ATOM 266 O LEU A 21 4.575 6.636 -8.943 1.00 0.00 O ATOM 267 CB LEU A 21 1.923 5.223 -7.795 1.00 0.00 C ATOM 268 CG LEU A 21 0.920 5.250 -6.641 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.496 5.413 -7.169 1.00 0.00 C ATOM 270 CD2 LEU A 21 1.038 3.985 -5.804 1.00 0.00 C ATOM 0 H LEU A 21 2.966 7.074 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 21 3.661 4.293 -6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.728 6.075 -8.446 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.749 4.324 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 21 1.148 6.105 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.196 5.430 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.572 6.347 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.737 4.578 -7.827 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.317 4.021 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.836 3.115 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.046 3.912 -5.396 1.00 0.00 H new ATOM 282 N THR A 22 4.700 4.408 -9.234 1.00 0.00 N ATOM 283 CA THR A 22 5.552 4.499 -10.414 1.00 0.00 C ATOM 284 C THR A 22 4.734 4.327 -11.691 1.00 0.00 C ATOM 285 O THR A 22 5.233 3.816 -12.694 1.00 0.00 O ATOM 286 CB THR A 22 6.656 3.441 -10.355 1.00 0.00 C ATOM 287 OG1 THR A 22 6.100 2.140 -10.290 1.00 0.00 O ATOM 288 CG2 THR A 22 7.579 3.606 -9.168 1.00 0.00 C ATOM 0 H THR A 22 4.465 3.455 -8.956 1.00 0.00 H new ATOM 0 HA THR A 22 6.008 5.489 -10.427 1.00 0.00 H new ATOM 0 HB THR A 22 7.236 3.577 -11.268 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.821 1.477 -10.255 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.338 2.824 -9.186 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.062 4.582 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.003 3.531 -8.246 1.00 0.00 H new ATOM 296 N SER A 23 3.478 4.758 -11.646 1.00 0.00 N ATOM 297 CA SER A 23 2.592 4.652 -12.799 1.00 0.00 C ATOM 298 C SER A 23 1.730 5.903 -12.939 1.00 0.00 C ATOM 299 O SER A 23 1.609 6.469 -14.026 1.00 0.00 O ATOM 300 CB SER A 23 1.701 3.416 -12.674 1.00 0.00 C ATOM 301 OG SER A 23 2.358 2.385 -11.954 1.00 0.00 O ATOM 0 H SER A 23 3.051 5.184 -10.824 1.00 0.00 H new ATOM 0 HA SER A 23 3.210 4.556 -13.692 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.773 3.682 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.431 3.056 -13.667 1.00 0.00 H new ATOM 0 HG SER A 23 1.767 1.606 -11.886 1.00 0.00 H new ATOM 307 N SER A 24 1.135 6.329 -11.830 1.00 0.00 N ATOM 308 CA SER A 24 0.283 7.513 -11.826 1.00 0.00 C ATOM 309 C SER A 24 1.068 8.753 -11.399 1.00 0.00 C ATOM 310 O SER A 24 0.662 9.880 -11.678 1.00 0.00 O ATOM 311 CB SER A 24 -0.910 7.306 -10.892 1.00 0.00 C ATOM 312 OG SER A 24 -1.835 6.384 -11.443 1.00 0.00 O ATOM 0 H SER A 24 1.227 5.872 -10.923 1.00 0.00 H new ATOM 0 HA SER A 24 -0.080 7.668 -12.842 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.561 6.942 -9.926 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.406 8.260 -10.713 1.00 0.00 H new ATOM 0 HG SER A 24 -2.588 6.268 -10.826 1.00 0.00 H new ATOM 318 N ASN A 25 2.192 8.537 -10.719 1.00 0.00 N ATOM 319 CA ASN A 25 3.030 9.638 -10.254 1.00 0.00 C ATOM 320 C ASN A 25 2.317 10.443 -9.172 1.00 0.00 C ATOM 321 O ASN A 25 2.413 11.669 -9.131 1.00 0.00 O ATOM 322 CB ASN A 25 3.412 10.551 -11.422 1.00 0.00 C ATOM 323 CG ASN A 25 4.849 11.026 -11.338 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.589 10.645 -10.431 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.253 11.864 -12.287 1.00 0.00 N ATOM 0 H ASN A 25 2.543 7.610 -10.478 1.00 0.00 H new ATOM 0 HA ASN A 25 3.939 9.214 -9.827 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.263 10.017 -12.361 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.747 11.415 -11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.210 12.217 -12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.606 12.154 -13.020 1.00 0.00 H new ATOM 332 N GLU A 26 1.603 9.743 -8.297 1.00 0.00 N ATOM 333 CA GLU A 26 0.873 10.391 -7.212 1.00 0.00 C ATOM 334 C GLU A 26 1.169 9.714 -5.878 1.00 0.00 C ATOM 335 O GLU A 26 1.181 8.487 -5.783 1.00 0.00 O ATOM 336 CB GLU A 26 -0.631 10.360 -7.491 1.00 0.00 C ATOM 337 CG GLU A 26 -1.094 11.443 -8.451 1.00 0.00 C ATOM 338 CD GLU A 26 -0.974 12.835 -7.862 1.00 0.00 C ATOM 339 OE1 GLU A 26 0.163 13.340 -7.760 1.00 0.00 O ATOM 340 OE2 GLU A 26 -2.019 13.418 -7.501 1.00 0.00 O ATOM 0 H GLU A 26 1.514 8.727 -8.317 1.00 0.00 H new ATOM 0 HA GLU A 26 1.203 11.428 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.896 9.385 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.169 10.467 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.505 11.388 -9.366 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.132 11.258 -8.728 1.00 0.00 H new ATOM 347 N MET A 27 1.408 10.522 -4.850 1.00 0.00 N ATOM 348 CA MET A 27 1.704 10.000 -3.520 1.00 0.00 C ATOM 349 C MET A 27 0.422 9.625 -2.784 1.00 0.00 C ATOM 350 O MET A 27 -0.645 10.175 -3.054 1.00 0.00 O ATOM 351 CB MET A 27 2.489 11.031 -2.709 1.00 0.00 C ATOM 352 CG MET A 27 3.995 10.930 -2.890 1.00 0.00 C ATOM 353 SD MET A 27 4.904 11.296 -1.377 1.00 0.00 S ATOM 354 CE MET A 27 6.587 10.995 -1.911 1.00 0.00 C ATOM 0 H MET A 27 1.403 11.540 -4.912 1.00 0.00 H new ATOM 0 HA MET A 27 2.310 9.101 -3.636 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.163 12.031 -2.996 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.250 10.909 -1.653 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.250 9.925 -3.228 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.310 11.619 -3.674 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.274 11.231 -1.098 1.00 0.00 H new ATOM 0 HE2 MET A 27 6.699 9.947 -2.188 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.814 11.624 -2.772 1.00 0.00 H new ATOM 364 N ALA A 28 0.536 8.685 -1.851 1.00 0.00 N ATOM 365 CA ALA A 28 -0.613 8.236 -1.074 1.00 0.00 C ATOM 366 C ALA A 28 -0.188 7.771 0.315 1.00 0.00 C ATOM 367 O ALA A 28 0.971 7.418 0.534 1.00 0.00 O ATOM 368 CB ALA A 28 -1.341 7.118 -1.806 1.00 0.00 C ATOM 0 H ALA A 28 1.412 8.220 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.292 9.080 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.197 6.793 -1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.686 7.481 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.662 6.278 -1.955 1.00 0.00 H new ATOM 374 N THR A 29 -1.132 7.775 1.250 1.00 0.00 N ATOM 375 CA THR A 29 -0.854 7.354 2.618 1.00 0.00 C ATOM 376 C THR A 29 -1.061 5.854 2.778 1.00 0.00 C ATOM 377 O THR A 29 -1.967 5.274 2.181 1.00 0.00 O ATOM 378 CB THR A 29 -1.748 8.113 3.600 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.669 9.509 3.374 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.392 7.862 5.050 1.00 0.00 C ATOM 0 H THR A 29 -2.096 8.065 1.085 1.00 0.00 H new ATOM 0 HA THR A 29 0.189 7.583 2.837 1.00 0.00 H new ATOM 0 HB THR A 29 -2.756 7.740 3.420 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.249 9.977 4.011 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.064 8.430 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.491 6.799 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.364 8.176 5.232 1.00 0.00 H new ATOM 388 N VAL A 30 -0.212 5.232 3.589 1.00 0.00 N ATOM 389 CA VAL A 30 -0.300 3.798 3.827 1.00 0.00 C ATOM 390 C VAL A 30 -1.300 3.486 4.936 1.00 0.00 C ATOM 391 O VAL A 30 -1.300 4.129 5.985 1.00 0.00 O ATOM 392 CB VAL A 30 1.071 3.205 4.204 1.00 0.00 C ATOM 393 CG1 VAL A 30 0.997 1.688 4.277 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.136 3.646 3.211 1.00 0.00 C ATOM 0 H VAL A 30 0.543 5.698 4.091 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.639 3.343 2.897 1.00 0.00 H new ATOM 0 HB VAL A 30 1.348 3.580 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.975 1.288 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.267 1.395 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.696 1.291 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.097 3.217 3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.866 3.304 2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.209 4.734 3.215 1.00 0.00 H new ATOM 404 N ARG A 31 -2.149 2.492 4.696 1.00 0.00 N ATOM 405 CA ARG A 31 -3.154 2.093 5.674 1.00 0.00 C ATOM 406 C ARG A 31 -2.931 0.653 6.127 1.00 0.00 C ATOM 407 O ARG A 31 -3.001 0.349 7.317 1.00 0.00 O ATOM 408 CB ARG A 31 -4.558 2.243 5.085 1.00 0.00 C ATOM 409 CG ARG A 31 -4.861 3.645 4.584 1.00 0.00 C ATOM 410 CD ARG A 31 -5.280 4.565 5.720 1.00 0.00 C ATOM 411 NE ARG A 31 -6.535 4.139 6.333 1.00 0.00 N ATOM 412 CZ ARG A 31 -7.296 4.928 7.089 1.00 0.00 C ATOM 413 NH1 ARG A 31 -6.932 6.183 7.327 1.00 0.00 N ATOM 414 NH2 ARG A 31 -8.423 4.462 7.608 1.00 0.00 N ATOM 0 H ARG A 31 -2.161 1.948 3.833 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.060 2.747 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.674 1.539 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.292 1.971 5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.980 4.054 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.654 3.602 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.496 4.587 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.388 5.582 5.342 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.847 3.181 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.066 6.547 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.519 6.783 7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.707 3.499 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.006 5.066 8.187 1.00 0.00 H new ATOM 428 N TYR A 32 -2.663 -0.227 5.168 1.00 0.00 N ATOM 429 CA TYR A 32 -2.430 -1.635 5.467 1.00 0.00 C ATOM 430 C TYR A 32 -1.081 -2.091 4.920 1.00 0.00 C ATOM 431 O TYR A 32 -0.648 -1.645 3.859 1.00 0.00 O ATOM 432 CB TYR A 32 -3.549 -2.496 4.878 1.00 0.00 C ATOM 433 CG TYR A 32 -3.461 -3.954 5.267 1.00 0.00 C ATOM 434 CD1 TYR A 32 -2.554 -4.804 4.646 1.00 0.00 C ATOM 435 CD2 TYR A 32 -4.283 -4.481 6.254 1.00 0.00 C ATOM 436 CE1 TYR A 32 -2.470 -6.137 4.999 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.204 -5.813 6.612 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.297 -6.637 5.982 1.00 0.00 C ATOM 439 OH TYR A 32 -3.215 -7.964 6.336 1.00 0.00 O ATOM 0 H TYR A 32 -2.602 0.010 4.178 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.422 -1.754 6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.511 -2.099 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.523 -2.417 3.791 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.904 -4.416 3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.996 -3.839 6.750 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.759 -6.785 4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.850 -6.207 7.382 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.937 -8.493 5.559 1.00 0.00 H new ATOM 449 N VAL A 33 -0.423 -2.984 5.653 1.00 0.00 N ATOM 450 CA VAL A 33 0.876 -3.501 5.241 1.00 0.00 C ATOM 451 C VAL A 33 1.040 -4.962 5.647 1.00 0.00 C ATOM 452 O VAL A 33 1.224 -5.272 6.823 1.00 0.00 O ATOM 453 CB VAL A 33 2.027 -2.679 5.851 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.361 -3.103 5.258 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.791 -1.191 5.641 1.00 0.00 C ATOM 0 H VAL A 33 -0.768 -3.364 6.534 1.00 0.00 H new ATOM 0 HA VAL A 33 0.918 -3.421 4.155 1.00 0.00 H new ATOM 0 HB VAL A 33 2.056 -2.871 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.161 -2.511 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.533 -4.159 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.347 -2.944 4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.614 -0.627 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.733 -0.979 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.856 -0.900 6.120 1.00 0.00 H new ATOM 465 N GLY A 34 0.971 -5.855 4.665 1.00 0.00 N ATOM 466 CA GLY A 34 1.114 -7.273 4.941 1.00 0.00 C ATOM 467 C GLY A 34 0.472 -8.141 3.875 1.00 0.00 C ATOM 468 O GLY A 34 -0.057 -7.627 2.889 1.00 0.00 O ATOM 0 H GLY A 34 0.819 -5.622 3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.173 -7.520 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.664 -7.499 5.908 1.00 0.00 H new ATOM 472 N PRO A 35 0.503 -9.474 4.046 1.00 0.00 N ATOM 473 CA PRO A 35 -0.086 -10.408 3.080 1.00 0.00 C ATOM 474 C PRO A 35 -1.535 -10.066 2.751 1.00 0.00 C ATOM 475 O PRO A 35 -2.212 -9.381 3.517 1.00 0.00 O ATOM 476 CB PRO A 35 -0.005 -11.758 3.796 1.00 0.00 C ATOM 477 CG PRO A 35 1.123 -11.612 4.756 1.00 0.00 C ATOM 478 CD PRO A 35 1.113 -10.173 5.192 1.00 0.00 C ATOM 0 HA PRO A 35 0.435 -10.386 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.937 -11.988 4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.178 -12.569 3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.998 -12.279 5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.072 -11.871 4.286 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.532 -10.033 6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.119 -9.808 5.396 1.00 0.00 H new ATOM 486 N THR A 36 -2.006 -10.550 1.605 1.00 0.00 N ATOM 487 CA THR A 36 -3.376 -10.297 1.172 1.00 0.00 C ATOM 488 C THR A 36 -4.225 -11.558 1.295 1.00 0.00 C ATOM 489 O THR A 36 -3.725 -12.622 1.658 1.00 0.00 O ATOM 490 CB THR A 36 -3.391 -9.797 -0.273 1.00 0.00 C ATOM 491 OG1 THR A 36 -2.386 -10.438 -1.037 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.176 -8.303 -0.391 1.00 0.00 C ATOM 0 H THR A 36 -1.459 -11.120 0.960 1.00 0.00 H new ATOM 0 HA THR A 36 -3.801 -9.529 1.819 1.00 0.00 H new ATOM 0 HB THR A 36 -4.385 -10.036 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.826 -9.762 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.198 -8.014 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.966 -7.778 0.146 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.209 -8.040 0.038 1.00 0.00 H new ATOM 500 N ASP A 37 -5.513 -11.431 0.990 1.00 0.00 N ATOM 501 CA ASP A 37 -6.431 -12.561 1.068 1.00 0.00 C ATOM 502 C ASP A 37 -6.884 -12.992 -0.324 1.00 0.00 C ATOM 503 O ASP A 37 -7.155 -14.168 -0.563 1.00 0.00 O ATOM 504 CB ASP A 37 -7.647 -12.200 1.924 1.00 0.00 C ATOM 505 CG ASP A 37 -8.038 -13.318 2.870 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.141 -14.068 3.308 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.244 -13.445 3.171 1.00 0.00 O ATOM 0 H ASP A 37 -5.944 -10.557 0.687 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.903 -13.394 1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.429 -11.300 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.490 -11.966 1.273 1.00 0.00 H new ATOM 512 N PHE A 38 -6.966 -12.031 -1.239 1.00 0.00 N ATOM 513 CA PHE A 38 -7.387 -12.312 -2.607 1.00 0.00 C ATOM 514 C PHE A 38 -6.191 -12.666 -3.484 1.00 0.00 C ATOM 515 O PHE A 38 -6.244 -13.612 -4.271 1.00 0.00 O ATOM 516 CB PHE A 38 -8.126 -11.106 -3.193 1.00 0.00 C ATOM 517 CG PHE A 38 -7.266 -9.881 -3.326 1.00 0.00 C ATOM 518 CD1 PHE A 38 -7.121 -9.003 -2.264 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.606 -9.610 -4.513 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.330 -7.875 -2.384 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.814 -8.483 -4.639 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.676 -7.615 -3.573 1.00 0.00 C ATOM 0 H PHE A 38 -6.747 -11.051 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.062 -13.168 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.519 -11.373 -4.174 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.982 -10.872 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.631 -9.202 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.711 -10.286 -5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.224 -7.198 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.304 -8.282 -5.570 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.058 -6.735 -3.669 1.00 0.00 H new ATOM 532 N ALA A 39 -5.114 -11.902 -3.343 1.00 0.00 N ATOM 533 CA ALA A 39 -3.904 -12.135 -4.123 1.00 0.00 C ATOM 534 C ALA A 39 -2.901 -12.979 -3.345 1.00 0.00 C ATOM 535 O ALA A 39 -2.175 -13.787 -3.923 1.00 0.00 O ATOM 536 CB ALA A 39 -3.276 -10.810 -4.530 1.00 0.00 C ATOM 0 H ALA A 39 -5.054 -11.116 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.182 -12.686 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.374 -10.998 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.984 -10.242 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.020 -10.239 -3.637 1.00 0.00 H new ATOM 542 N SER A 40 -2.865 -12.786 -2.031 1.00 0.00 N ATOM 543 CA SER A 40 -1.950 -13.530 -1.174 1.00 0.00 C ATOM 544 C SER A 40 -0.500 -13.260 -1.565 1.00 0.00 C ATOM 545 O SER A 40 0.160 -14.106 -2.167 1.00 0.00 O ATOM 546 CB SER A 40 -2.243 -15.030 -1.257 1.00 0.00 C ATOM 547 OG SER A 40 -1.279 -15.779 -0.537 1.00 0.00 O ATOM 0 H SER A 40 -3.459 -12.121 -1.536 1.00 0.00 H new ATOM 0 HA SER A 40 -2.100 -13.196 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.237 -15.232 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.248 -15.345 -2.300 1.00 0.00 H new ATOM 0 HG SER A 40 -1.490 -16.734 -0.604 1.00 0.00 H new ATOM 553 N GLY A 41 -0.012 -12.073 -1.219 1.00 0.00 N ATOM 554 CA GLY A 41 1.356 -11.711 -1.543 1.00 0.00 C ATOM 555 C GLY A 41 1.867 -10.563 -0.696 1.00 0.00 C ATOM 556 O GLY A 41 1.999 -10.691 0.522 1.00 0.00 O ATOM 0 H GLY A 41 -0.539 -11.356 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.001 -12.578 -1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.416 -11.437 -2.596 1.00 0.00 H new ATOM 560 N ILE A 42 2.159 -9.439 -1.341 1.00 0.00 N ATOM 561 CA ILE A 42 2.661 -8.263 -0.640 1.00 0.00 C ATOM 562 C ILE A 42 2.118 -6.979 -1.258 1.00 0.00 C ATOM 563 O ILE A 42 2.565 -6.553 -2.322 1.00 0.00 O ATOM 564 CB ILE A 42 4.201 -8.215 -0.656 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.781 -9.571 -0.248 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.707 -7.117 0.266 1.00 0.00 C ATOM 567 CD1 ILE A 42 6.287 -9.648 -0.378 1.00 0.00 C ATOM 0 H ILE A 42 2.057 -9.317 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 42 2.317 -8.340 0.391 1.00 0.00 H new ATOM 0 HB ILE A 42 4.531 -7.991 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.502 -9.780 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.331 -10.350 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.797 -7.096 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.319 -6.155 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.369 -7.312 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.629 -10.637 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.572 -9.470 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.746 -8.892 0.259 1.00 0.00 H new ATOM 579 N TRP A 43 1.151 -6.366 -0.581 1.00 0.00 N ATOM 580 CA TRP A 43 0.548 -5.128 -1.062 1.00 0.00 C ATOM 581 C TRP A 43 0.350 -4.140 0.082 1.00 0.00 C ATOM 582 O TRP A 43 0.527 -4.484 1.251 1.00 0.00 O ATOM 583 CB TRP A 43 -0.795 -5.419 -1.736 1.00 0.00 C ATOM 584 CG TRP A 43 -0.739 -6.553 -2.713 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.610 -7.881 -2.421 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.809 -6.461 -4.140 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.598 -8.620 -3.580 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.717 -7.771 -4.648 1.00 0.00 C ATOM 589 CE3 TRP A 43 -0.940 -5.398 -5.038 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.754 -8.044 -6.014 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -0.976 -5.671 -6.393 1.00 0.00 C ATOM 592 CH2 TRP A 43 -0.884 -6.985 -6.869 1.00 0.00 C ATOM 0 H TRP A 43 0.769 -6.706 0.301 1.00 0.00 H new ATOM 0 HA TRP A 43 1.225 -4.683 -1.791 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.536 -5.646 -0.969 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.136 -4.521 -2.252 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.529 -8.291 -1.425 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.514 -9.635 -3.636 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.012 -4.382 -4.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.683 -9.056 -6.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.077 -4.857 -7.096 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.916 -7.165 -7.933 1.00 0.00 H new ATOM 603 N LEU A 44 -0.019 -2.910 -0.262 1.00 0.00 N ATOM 604 CA LEU A 44 -0.243 -1.871 0.737 1.00 0.00 C ATOM 605 C LEU A 44 -1.496 -1.064 0.409 1.00 0.00 C ATOM 606 O LEU A 44 -1.577 -0.425 -0.640 1.00 0.00 O ATOM 607 CB LEU A 44 0.969 -0.941 0.820 1.00 0.00 C ATOM 608 CG LEU A 44 2.328 -1.642 0.793 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.398 -0.712 0.243 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.704 -2.127 2.185 1.00 0.00 C ATOM 0 H LEU A 44 -0.169 -2.609 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.385 -2.356 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.924 -0.237 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.897 -0.357 1.737 1.00 0.00 H new ATOM 0 HG LEU A 44 2.256 -2.508 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.358 -1.228 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.134 -0.414 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.470 0.174 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.674 -2.623 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.758 -1.276 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.950 -2.829 2.542 1.00 0.00 H new ATOM 622 N GLY A 45 -2.469 -1.097 1.314 1.00 0.00 N ATOM 623 CA GLY A 45 -3.703 -0.363 1.102 1.00 0.00 C ATOM 624 C GLY A 45 -3.508 1.137 1.187 1.00 0.00 C ATOM 625 O GLY A 45 -3.639 1.727 2.260 1.00 0.00 O ATOM 0 H GLY A 45 -2.425 -1.618 2.190 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.110 -0.618 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.439 -0.673 1.844 1.00 0.00 H new ATOM 629 N LEU A 46 -3.192 1.757 0.054 1.00 0.00 N ATOM 630 CA LEU A 46 -2.978 3.198 0.005 1.00 0.00 C ATOM 631 C LEU A 46 -4.306 3.945 -0.059 1.00 0.00 C ATOM 632 O LEU A 46 -5.354 3.348 -0.310 1.00 0.00 O ATOM 633 CB LEU A 46 -2.114 3.565 -1.204 1.00 0.00 C ATOM 634 CG LEU A 46 -0.661 3.096 -1.128 1.00 0.00 C ATOM 635 CD1 LEU A 46 0.052 3.351 -2.446 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.064 3.792 0.015 1.00 0.00 C ATOM 0 H LEU A 46 -3.079 1.283 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.460 3.494 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.570 3.142 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.124 4.648 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.655 2.023 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.085 3.011 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.453 2.807 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.036 4.418 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.097 3.446 0.055 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.048 4.870 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.433 3.559 0.957 1.00 0.00 H new ATOM 648 N GLU A 47 -4.256 5.253 0.172 1.00 0.00 N ATOM 649 CA GLU A 47 -5.455 6.081 0.141 1.00 0.00 C ATOM 650 C GLU A 47 -5.151 7.455 -0.447 1.00 0.00 C ATOM 651 O GLU A 47 -4.070 8.005 -0.239 1.00 0.00 O ATOM 652 CB GLU A 47 -6.033 6.232 1.549 1.00 0.00 C ATOM 653 CG GLU A 47 -7.533 6.476 1.569 1.00 0.00 C ATOM 654 CD GLU A 47 -7.927 7.615 2.491 1.00 0.00 C ATOM 655 OE1 GLU A 47 -7.387 8.728 2.324 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.777 7.392 3.378 1.00 0.00 O ATOM 0 H GLU A 47 -3.398 5.762 0.383 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.191 5.588 -0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.812 5.331 2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.532 7.060 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.875 6.697 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.041 5.565 1.885 1.00 0.00 H new ATOM 663 N LEU A 48 -6.114 8.006 -1.181 1.00 0.00 N ATOM 664 CA LEU A 48 -5.949 9.318 -1.798 1.00 0.00 C ATOM 665 C LEU A 48 -6.903 10.333 -1.178 1.00 0.00 C ATOM 666 O LEU A 48 -7.757 9.982 -0.364 1.00 0.00 O ATOM 667 CB LEU A 48 -6.192 9.228 -3.306 1.00 0.00 C ATOM 668 CG LEU A 48 -5.366 8.165 -4.034 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.746 8.111 -5.505 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.879 8.446 -3.874 1.00 0.00 C ATOM 0 H LEU A 48 -7.015 7.565 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.926 9.651 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.249 9.024 -3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.979 10.200 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.582 7.194 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.149 7.350 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.803 7.863 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.559 9.081 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.306 7.681 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.646 9.425 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.618 8.434 -2.816 1.00 0.00 H new ATOM 682 N ARG A 49 -6.750 11.595 -1.567 1.00 0.00 N ATOM 683 CA ARG A 49 -7.598 12.663 -1.048 1.00 0.00 C ATOM 684 C ARG A 49 -8.785 12.912 -1.974 1.00 0.00 C ATOM 685 O ARG A 49 -9.865 13.294 -1.524 1.00 0.00 O ATOM 686 CB ARG A 49 -6.788 13.950 -0.881 1.00 0.00 C ATOM 687 CG ARG A 49 -7.422 14.946 0.077 1.00 0.00 C ATOM 688 CD ARG A 49 -6.373 15.671 0.904 1.00 0.00 C ATOM 689 NE ARG A 49 -5.544 14.746 1.671 1.00 0.00 N ATOM 690 CZ ARG A 49 -4.387 15.081 2.238 1.00 0.00 C ATOM 691 NH1 ARG A 49 -3.920 16.319 2.127 1.00 0.00 N ATOM 692 NH2 ARG A 49 -3.697 14.178 2.920 1.00 0.00 N ATOM 0 H ARG A 49 -6.047 11.903 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.978 12.352 -0.075 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.790 13.698 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.666 14.422 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.008 15.672 -0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.113 14.425 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.739 16.265 0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.865 16.366 1.584 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.871 13.786 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.448 17.018 1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.033 16.571 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.052 13.226 3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.811 14.435 3.354 1.00 0.00 H new ATOM 706 N SER A 50 -8.577 12.694 -3.268 1.00 0.00 N ATOM 707 CA SER A 50 -9.630 12.895 -4.256 1.00 0.00 C ATOM 708 C SER A 50 -10.004 11.577 -4.928 1.00 0.00 C ATOM 709 O SER A 50 -9.446 10.527 -4.612 1.00 0.00 O ATOM 710 CB SER A 50 -9.183 13.909 -5.311 1.00 0.00 C ATOM 711 OG SER A 50 -8.736 15.110 -4.706 1.00 0.00 O ATOM 0 H SER A 50 -7.689 12.378 -3.657 1.00 0.00 H new ATOM 0 HA SER A 50 -10.509 13.282 -3.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.382 13.482 -5.914 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.011 14.124 -5.987 1.00 0.00 H new ATOM 0 HG SER A 50 -8.454 15.741 -5.401 1.00 0.00 H new ATOM 717 N ALA A 51 -10.953 11.640 -5.857 1.00 0.00 N ATOM 718 CA ALA A 51 -11.401 10.453 -6.573 1.00 0.00 C ATOM 719 C ALA A 51 -10.503 10.161 -7.771 1.00 0.00 C ATOM 720 O ALA A 51 -10.603 10.815 -8.808 1.00 0.00 O ATOM 721 CB ALA A 51 -12.844 10.622 -7.023 1.00 0.00 C ATOM 0 H ALA A 51 -11.426 12.501 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.340 9.604 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.166 9.728 -7.557 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.481 10.774 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.920 11.486 -7.683 1.00 0.00 H new ATOM 727 N LYS A 52 -9.628 9.172 -7.619 1.00 0.00 N ATOM 728 CA LYS A 52 -8.711 8.793 -8.688 1.00 0.00 C ATOM 729 C LYS A 52 -8.102 7.420 -8.419 1.00 0.00 C ATOM 730 O LYS A 52 -6.968 7.144 -8.811 1.00 0.00 O ATOM 731 CB LYS A 52 -7.603 9.839 -8.834 1.00 0.00 C ATOM 732 CG LYS A 52 -7.851 10.831 -9.960 1.00 0.00 C ATOM 733 CD LYS A 52 -6.546 11.365 -10.526 1.00 0.00 C ATOM 734 CE LYS A 52 -6.109 12.636 -9.816 1.00 0.00 C ATOM 735 NZ LYS A 52 -4.639 12.852 -9.917 1.00 0.00 N ATOM 0 H LYS A 52 -9.535 8.619 -6.767 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.276 8.743 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.503 10.384 -7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.655 9.331 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.423 10.348 -10.753 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.455 11.660 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.769 10.607 -10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.665 11.564 -11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.632 13.490 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.397 12.582 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.382 13.729 -9.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.140 12.049 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.367 12.929 -10.918 1.00 0.00 H new ATOM 749 N GLY A 53 -8.862 6.561 -7.749 1.00 0.00 N ATOM 750 CA GLY A 53 -8.382 5.227 -7.440 1.00 0.00 C ATOM 751 C GLY A 53 -9.072 4.157 -8.261 1.00 0.00 C ATOM 752 O GLY A 53 -9.766 4.461 -9.232 1.00 0.00 O ATOM 0 H GLY A 53 -9.803 6.765 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.308 5.181 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.538 5.025 -6.380 1.00 0.00 H new ATOM 756 N LYS A 54 -8.881 2.900 -7.872 1.00 0.00 N ATOM 757 CA LYS A 54 -9.492 1.780 -8.579 1.00 0.00 C ATOM 758 C LYS A 54 -10.416 0.993 -7.657 1.00 0.00 C ATOM 759 O LYS A 54 -11.513 0.596 -8.052 1.00 0.00 O ATOM 760 CB LYS A 54 -8.410 0.857 -9.145 1.00 0.00 C ATOM 761 CG LYS A 54 -7.305 1.597 -9.883 1.00 0.00 C ATOM 762 CD LYS A 54 -6.526 0.665 -10.798 1.00 0.00 C ATOM 763 CE LYS A 54 -5.181 1.260 -11.184 1.00 0.00 C ATOM 764 NZ LYS A 54 -4.863 1.028 -12.620 1.00 0.00 N ATOM 0 H LYS A 54 -8.308 2.632 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.085 2.181 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.970 0.283 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.873 0.141 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.737 2.407 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.626 2.052 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.372 -0.292 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.109 0.465 -11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.186 2.331 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.399 0.822 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.938 1.449 -12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.833 0.006 -12.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.596 1.467 -13.213 1.00 0.00 H new ATOM 778 N ASN A 55 -9.967 0.770 -6.426 1.00 0.00 N ATOM 779 CA ASN A 55 -10.755 0.031 -5.447 1.00 0.00 C ATOM 780 C ASN A 55 -11.651 0.971 -4.648 1.00 0.00 C ATOM 781 O ASN A 55 -11.520 2.192 -4.736 1.00 0.00 O ATOM 782 CB ASN A 55 -9.835 -0.743 -4.501 1.00 0.00 C ATOM 783 CG ASN A 55 -9.055 -1.831 -5.212 1.00 0.00 C ATOM 784 OD1 ASN A 55 -9.544 -2.439 -6.164 1.00 0.00 O ATOM 785 ND2 ASN A 55 -7.835 -2.083 -4.752 1.00 0.00 N ATOM 0 H ASN A 55 -9.061 1.091 -6.083 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.388 -0.674 -5.985 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.138 -0.050 -4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.430 -1.189 -3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.264 -2.805 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.469 -1.554 -3.960 1.00 0.00 H new ATOM 792 N ASP A 56 -12.559 0.394 -3.869 1.00 0.00 N ATOM 793 CA ASP A 56 -13.477 1.181 -3.054 1.00 0.00 C ATOM 794 C ASP A 56 -12.958 1.316 -1.626 1.00 0.00 C ATOM 795 O ASP A 56 -13.236 2.305 -0.945 1.00 0.00 O ATOM 796 CB ASP A 56 -14.865 0.538 -3.046 1.00 0.00 C ATOM 797 CG ASP A 56 -14.815 -0.943 -2.724 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.140 -1.315 -1.740 1.00 0.00 O ATOM 799 OD2 ASP A 56 -15.449 -1.731 -3.457 1.00 0.00 O ATOM 0 H ASP A 56 -12.679 -0.615 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.548 2.177 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.493 1.045 -2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.333 0.680 -4.020 1.00 0.00 H new ATOM 804 N GLY A 57 -12.203 0.318 -1.178 1.00 0.00 N ATOM 805 CA GLY A 57 -11.659 0.346 0.166 1.00 0.00 C ATOM 806 C GLY A 57 -11.321 -1.038 0.686 1.00 0.00 C ATOM 807 O GLY A 57 -10.455 -1.189 1.547 1.00 0.00 O ATOM 0 H GLY A 57 -11.959 -0.509 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.761 0.964 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.379 0.816 0.836 1.00 0.00 H new ATOM 811 N ALA A 58 -12.005 -2.049 0.162 1.00 0.00 N ATOM 812 CA ALA A 58 -11.773 -3.427 0.579 1.00 0.00 C ATOM 813 C ALA A 58 -11.854 -4.380 -0.607 1.00 0.00 C ATOM 814 O ALA A 58 -12.212 -3.981 -1.715 1.00 0.00 O ATOM 815 CB ALA A 58 -12.776 -3.828 1.650 1.00 0.00 C ATOM 0 H ALA A 58 -12.725 -1.940 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.767 -3.491 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.592 -4.859 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.668 -3.171 2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.787 -3.741 1.252 1.00 0.00 H new ATOM 821 N VAL A 59 -11.518 -5.644 -0.367 1.00 0.00 N ATOM 822 CA VAL A 59 -11.554 -6.656 -1.415 1.00 0.00 C ATOM 823 C VAL A 59 -12.184 -7.947 -0.906 1.00 0.00 C ATOM 824 O VAL A 59 -11.532 -8.745 -0.233 1.00 0.00 O ATOM 825 CB VAL A 59 -10.142 -6.963 -1.949 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.216 -7.871 -3.167 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.404 -5.674 -2.280 1.00 0.00 C ATOM 0 H VAL A 59 -11.218 -5.991 0.544 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.160 -6.252 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.585 -7.484 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.209 -8.076 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.701 -8.808 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.791 -7.380 -3.952 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.409 -5.911 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.957 -5.123 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.317 -5.064 -1.381 1.00 0.00 H new ATOM 837 N GLY A 60 -13.457 -8.146 -1.232 1.00 0.00 N ATOM 838 CA GLY A 60 -14.154 -9.341 -0.797 1.00 0.00 C ATOM 839 C GLY A 60 -14.642 -9.237 0.634 1.00 0.00 C ATOM 840 O GLY A 60 -15.600 -8.519 0.920 1.00 0.00 O ATOM 0 H GLY A 60 -14.018 -7.501 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.004 -9.523 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.489 -10.200 -0.890 1.00 0.00 H new ATOM 844 N ASP A 61 -13.983 -9.957 1.536 1.00 0.00 N ATOM 845 CA ASP A 61 -14.356 -9.944 2.946 1.00 0.00 C ATOM 846 C ASP A 61 -13.303 -9.228 3.788 1.00 0.00 C ATOM 847 O ASP A 61 -13.600 -8.725 4.872 1.00 0.00 O ATOM 848 CB ASP A 61 -14.547 -11.373 3.457 1.00 0.00 C ATOM 849 CG ASP A 61 -15.602 -11.463 4.541 1.00 0.00 C ATOM 850 OD1 ASP A 61 -16.665 -10.824 4.390 1.00 0.00 O ATOM 851 OD2 ASP A 61 -15.366 -12.170 5.543 1.00 0.00 O ATOM 0 H ASP A 61 -13.188 -10.557 1.316 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.296 -9.401 3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.829 -12.019 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.599 -11.747 3.844 1.00 0.00 H new ATOM 856 N LYS A 62 -12.071 -9.188 3.287 1.00 0.00 N ATOM 857 CA LYS A 62 -10.978 -8.535 4.000 1.00 0.00 C ATOM 858 C LYS A 62 -11.005 -7.026 3.781 1.00 0.00 C ATOM 859 O LYS A 62 -11.639 -6.534 2.848 1.00 0.00 O ATOM 860 CB LYS A 62 -9.634 -9.105 3.545 1.00 0.00 C ATOM 861 CG LYS A 62 -8.584 -9.138 4.646 1.00 0.00 C ATOM 862 CD LYS A 62 -7.386 -8.266 4.304 1.00 0.00 C ATOM 863 CE LYS A 62 -6.081 -8.923 4.727 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.035 -9.175 6.193 1.00 0.00 N ATOM 0 H LYS A 62 -11.805 -9.599 2.392 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.107 -8.729 5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.786 -10.117 3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.258 -8.509 2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.027 -8.798 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.254 -10.165 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.368 -8.075 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.485 -7.299 4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.959 -9.865 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.244 -8.285 4.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.129 -8.837 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.816 -8.669 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.128 -10.195 6.373 1.00 0.00 H new ATOM 878 N ARG A 63 -10.308 -6.298 4.649 1.00 0.00 N ATOM 879 CA ARG A 63 -10.247 -4.844 4.553 1.00 0.00 C ATOM 880 C ARG A 63 -8.799 -4.364 4.532 1.00 0.00 C ATOM 881 O ARG A 63 -7.915 -5.004 5.101 1.00 0.00 O ATOM 882 CB ARG A 63 -10.997 -4.205 5.725 1.00 0.00 C ATOM 883 CG ARG A 63 -12.054 -3.200 5.295 1.00 0.00 C ATOM 884 CD ARG A 63 -13.397 -3.874 5.061 1.00 0.00 C ATOM 885 NE ARG A 63 -14.516 -3.013 5.439 1.00 0.00 N ATOM 886 CZ ARG A 63 -14.967 -2.884 6.685 1.00 0.00 C ATOM 887 NH1 ARG A 63 -14.397 -3.555 7.678 1.00 0.00 N ATOM 888 NH2 ARG A 63 -15.992 -2.081 6.940 1.00 0.00 N ATOM 0 H ARG A 63 -9.778 -6.692 5.426 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.723 -4.542 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.472 -4.990 6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.279 -3.708 6.377 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.160 -2.431 6.060 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.732 -2.699 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.488 -4.145 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.443 -4.800 5.634 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.979 -2.479 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.609 -4.174 7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.747 -3.452 8.630 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.435 -1.562 6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -16.337 -1.982 7.895 1.00 0.00 H new ATOM 902 N TYR A 64 -8.564 -3.233 3.873 1.00 0.00 N ATOM 903 CA TYR A 64 -7.220 -2.671 3.780 1.00 0.00 C ATOM 904 C TYR A 64 -7.215 -1.200 4.183 1.00 0.00 C ATOM 905 O TYR A 64 -6.435 -0.785 5.041 1.00 0.00 O ATOM 906 CB TYR A 64 -6.681 -2.822 2.356 1.00 0.00 C ATOM 907 CG TYR A 64 -6.531 -4.261 1.916 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.612 -5.103 2.530 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.307 -4.777 0.886 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.472 -6.419 2.130 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.173 -6.091 0.481 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.255 -6.908 1.107 1.00 0.00 C ATOM 913 OH TYR A 64 -6.118 -8.217 0.706 1.00 0.00 O ATOM 0 H TYR A 64 -9.284 -2.689 3.397 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.576 -3.219 4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.350 -2.308 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.712 -2.327 2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.997 -4.723 3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.027 -4.140 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.752 -7.061 2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.784 -6.476 -0.322 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.445 -8.314 -0.213 1.00 0.00 H new ATOM 923 N PHE A 65 -8.088 -0.416 3.561 1.00 0.00 N ATOM 924 CA PHE A 65 -8.180 1.009 3.857 1.00 0.00 C ATOM 925 C PHE A 65 -9.633 1.476 3.845 1.00 0.00 C ATOM 926 O PHE A 65 -10.538 0.713 3.507 1.00 0.00 O ATOM 927 CB PHE A 65 -7.366 1.816 2.843 1.00 0.00 C ATOM 928 CG PHE A 65 -7.642 1.440 1.415 1.00 0.00 C ATOM 929 CD1 PHE A 65 -7.156 0.253 0.892 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.388 2.273 0.597 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.408 -0.096 -0.422 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.643 1.930 -0.717 1.00 0.00 C ATOM 933 CZ PHE A 65 -8.152 0.743 -1.227 1.00 0.00 C ATOM 0 H PHE A 65 -8.742 -0.742 2.849 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.772 1.173 4.854 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.580 2.876 2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.305 1.676 3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.574 -0.407 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.775 3.201 0.991 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.023 -1.024 -0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.225 2.589 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.350 0.472 -2.254 1.00 0.00 H new ATOM 943 N THR A 66 -9.847 2.734 4.216 1.00 0.00 N ATOM 944 CA THR A 66 -11.189 3.305 4.250 1.00 0.00 C ATOM 945 C THR A 66 -11.234 4.632 3.501 1.00 0.00 C ATOM 946 O THR A 66 -10.437 5.532 3.766 1.00 0.00 O ATOM 947 CB THR A 66 -11.643 3.506 5.696 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.176 2.452 6.520 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.147 3.576 5.847 1.00 0.00 C ATOM 0 H THR A 66 -9.108 3.378 4.498 1.00 0.00 H new ATOM 0 HA THR A 66 -11.867 2.608 3.758 1.00 0.00 H new ATOM 0 HB THR A 66 -11.219 4.463 6.001 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.475 2.600 7.441 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.401 3.719 6.897 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.533 4.412 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.592 2.647 5.490 1.00 0.00 H new ATOM 957 N CYS A 67 -12.171 4.747 2.566 1.00 0.00 N ATOM 958 CA CYS A 67 -12.319 5.966 1.778 1.00 0.00 C ATOM 959 C CYS A 67 -13.545 5.886 0.874 1.00 0.00 C ATOM 960 O CYS A 67 -14.246 4.873 0.851 1.00 0.00 O ATOM 961 CB CYS A 67 -11.065 6.210 0.937 1.00 0.00 C ATOM 962 SG CYS A 67 -10.709 4.899 -0.255 1.00 0.00 S ATOM 0 H CYS A 67 -12.839 4.012 2.335 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.454 6.800 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.178 7.153 0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.210 6.322 1.603 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.731 4.100 -0.339 1.00 0.00 H new ATOM 968 N LYS A 68 -13.798 6.958 0.131 1.00 0.00 N ATOM 969 CA LYS A 68 -14.939 7.008 -0.775 1.00 0.00 C ATOM 970 C LYS A 68 -14.701 6.130 -2.001 1.00 0.00 C ATOM 971 O LYS A 68 -13.577 5.695 -2.255 1.00 0.00 O ATOM 972 CB LYS A 68 -15.208 8.451 -1.209 1.00 0.00 C ATOM 973 CG LYS A 68 -16.316 9.127 -0.418 1.00 0.00 C ATOM 974 CD LYS A 68 -15.872 9.447 1.001 1.00 0.00 C ATOM 975 CE LYS A 68 -14.946 10.652 1.039 1.00 0.00 C ATOM 976 NZ LYS A 68 -13.695 10.367 1.795 1.00 0.00 N ATOM 0 H LYS A 68 -13.228 7.804 0.139 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.811 6.627 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.291 9.031 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.470 8.461 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.616 10.045 -0.922 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.192 8.478 -0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.747 9.640 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.363 8.583 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.695 10.949 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.464 11.494 1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.091 11.213 1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.932 10.108 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.187 9.580 1.342 1.00 0.00 H new ATOM 990 N PRO A 69 -15.761 5.855 -2.780 1.00 0.00 N ATOM 991 CA PRO A 69 -15.662 5.024 -3.984 1.00 0.00 C ATOM 992 C PRO A 69 -14.602 5.535 -4.955 1.00 0.00 C ATOM 993 O PRO A 69 -14.629 6.694 -5.366 1.00 0.00 O ATOM 994 CB PRO A 69 -17.054 5.130 -4.611 1.00 0.00 C ATOM 995 CG PRO A 69 -17.957 5.485 -3.480 1.00 0.00 C ATOM 996 CD PRO A 69 -17.136 6.333 -2.549 1.00 0.00 C ATOM 0 HA PRO A 69 -15.365 4.002 -3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.079 5.891 -5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.352 4.189 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.832 6.029 -3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.321 4.590 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.237 7.394 -2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.439 6.200 -1.511 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.669 4.660 -5.317 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.599 5.022 -6.241 1.00 0.00 C ATOM 1006 C ASN A 70 -11.742 6.147 -5.668 1.00 0.00 C ATOM 1007 O ASN A 70 -11.696 7.249 -6.216 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.183 5.442 -7.591 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.399 4.264 -8.520 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -12.908 3.163 -8.270 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -14.135 4.490 -9.602 1.00 0.00 N ATOM 0 H ASN A 70 -13.632 3.696 -4.985 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.965 4.147 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.132 5.953 -7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.513 6.158 -8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.313 3.735 -10.265 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.523 5.418 -9.770 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.063 5.861 -4.562 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.205 6.848 -3.915 1.00 0.00 C ATOM 1020 C TYR A 71 -8.813 6.276 -3.666 1.00 0.00 C ATOM 1021 O TYR A 71 -7.806 6.907 -3.987 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.826 7.306 -2.593 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.593 8.605 -2.702 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.724 8.701 -3.505 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.188 9.734 -2.002 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.427 9.885 -3.606 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -11.887 10.922 -2.098 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.005 10.992 -2.901 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.704 12.173 -3.000 1.00 0.00 O ATOM 0 H TYR A 71 -11.090 4.955 -4.095 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.112 7.706 -4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.496 6.528 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.036 7.421 -1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.058 7.836 -4.058 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.312 9.683 -1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.303 9.944 -4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.559 11.791 -1.547 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.276 12.854 -2.440 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.764 5.079 -3.093 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.492 4.443 -2.811 1.00 0.00 C ATOM 1041 C GLY A 72 -7.099 3.434 -3.873 1.00 0.00 C ATOM 1042 O GLY A 72 -7.871 3.160 -4.793 1.00 0.00 O ATOM 0 H GLY A 72 -9.584 4.538 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.717 5.206 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.545 3.945 -1.843 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.897 2.881 -3.747 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.405 1.898 -4.704 1.00 0.00 C ATOM 1048 C VAL A 73 -4.451 0.914 -4.039 1.00 0.00 C ATOM 1049 O VAL A 73 -3.732 1.265 -3.103 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.683 2.576 -5.884 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.688 3.228 -6.822 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.673 3.595 -5.378 1.00 0.00 C ATOM 0 H VAL A 73 -5.246 3.097 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.275 1.360 -5.080 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.143 1.812 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.159 3.702 -7.649 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.367 2.470 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.259 3.980 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.173 4.064 -6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.187 4.358 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.934 3.095 -4.752 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.450 -0.323 -4.526 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.584 -1.360 -3.979 1.00 0.00 C ATOM 1064 C LEU A 74 -2.399 -1.624 -4.902 1.00 0.00 C ATOM 1065 O LEU A 74 -2.572 -2.049 -6.044 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.374 -2.651 -3.760 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.144 -2.721 -2.440 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.128 -3.881 -2.458 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.183 -2.851 -1.269 1.00 0.00 C ATOM 0 H LEU A 74 -5.040 -0.631 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.202 -1.010 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.080 -2.771 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.684 -3.494 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.707 -1.796 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.667 -3.916 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.837 -3.744 -3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.586 -4.816 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.748 -2.899 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.592 -3.760 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.519 -1.987 -1.246 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.195 -1.369 -4.399 1.00 0.00 N ATOM 1082 CA VAL A 75 0.018 -1.578 -5.178 1.00 0.00 C ATOM 1083 C VAL A 75 1.037 -2.402 -4.398 1.00 0.00 C ATOM 1084 O VAL A 75 0.789 -2.794 -3.257 1.00 0.00 O ATOM 1085 CB VAL A 75 0.662 -0.239 -5.583 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.129 0.418 -6.704 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.767 0.687 -4.381 1.00 0.00 C ATOM 0 H VAL A 75 -1.035 -1.017 -3.455 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.273 -2.121 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 75 1.669 -0.437 -5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.342 1.363 -6.976 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.147 -0.242 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.149 0.604 -6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.224 1.628 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.229 0.880 -3.982 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.381 0.217 -3.612 1.00 0.00 H new ATOM 1097 N ARG A 76 2.182 -2.662 -5.020 1.00 0.00 N ATOM 1098 CA ARG A 76 3.238 -3.442 -4.383 1.00 0.00 C ATOM 1099 C ARG A 76 4.407 -2.547 -3.977 1.00 0.00 C ATOM 1100 O ARG A 76 4.626 -1.491 -4.567 1.00 0.00 O ATOM 1101 CB ARG A 76 3.728 -4.542 -5.326 1.00 0.00 C ATOM 1102 CG ARG A 76 2.603 -5.293 -6.021 1.00 0.00 C ATOM 1103 CD ARG A 76 3.125 -6.508 -6.775 1.00 0.00 C ATOM 1104 NE ARG A 76 2.613 -6.563 -8.142 1.00 0.00 N ATOM 1105 CZ ARG A 76 2.618 -7.663 -8.892 1.00 0.00 C ATOM 1106 NH1 ARG A 76 3.104 -8.800 -8.410 1.00 0.00 N ATOM 1107 NH2 ARG A 76 2.132 -7.627 -10.125 1.00 0.00 N ATOM 0 H ARG A 76 2.403 -2.345 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 76 2.825 -3.900 -3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.379 -4.099 -6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.332 -5.251 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.866 -5.610 -5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.092 -4.625 -6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.214 -6.481 -6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.839 -7.416 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 76 2.229 -5.709 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.476 -8.834 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.106 -9.640 -8.989 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.754 -6.756 -10.499 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.136 -8.470 -10.700 1.00 0.00 H new ATOM 1121 N PRO A 77 5.177 -2.965 -2.951 1.00 0.00 N ATOM 1122 CA PRO A 77 6.328 -2.200 -2.467 1.00 0.00 C ATOM 1123 C PRO A 77 7.181 -1.691 -3.618 1.00 0.00 C ATOM 1124 O PRO A 77 7.418 -0.492 -3.754 1.00 0.00 O ATOM 1125 CB PRO A 77 7.097 -3.223 -1.634 1.00 0.00 C ATOM 1126 CG PRO A 77 6.048 -4.150 -1.123 1.00 0.00 C ATOM 1127 CD PRO A 77 4.985 -4.215 -2.190 1.00 0.00 C ATOM 0 HA PRO A 77 6.039 -1.312 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.835 -3.752 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.637 -2.745 -0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.464 -5.138 -0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.633 -3.787 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.107 -5.093 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.986 -4.271 -1.757 1.00 0.00 H new ATOM 1135 N SER A 78 7.623 -2.622 -4.460 1.00 0.00 N ATOM 1136 CA SER A 78 8.429 -2.276 -5.619 1.00 0.00 C ATOM 1137 C SER A 78 7.692 -1.254 -6.475 1.00 0.00 C ATOM 1138 O SER A 78 8.305 -0.501 -7.230 1.00 0.00 O ATOM 1139 CB SER A 78 8.742 -3.525 -6.444 1.00 0.00 C ATOM 1140 OG SER A 78 9.653 -3.231 -7.490 1.00 0.00 O ATOM 0 H SER A 78 7.435 -3.619 -4.358 1.00 0.00 H new ATOM 0 HA SER A 78 9.369 -1.843 -5.276 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.162 -4.296 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.820 -3.928 -6.863 1.00 0.00 H new ATOM 0 HG SER A 78 9.838 -4.046 -8.002 1.00 0.00 H new ATOM 1146 N ARG A 79 6.366 -1.226 -6.337 1.00 0.00 N ATOM 1147 CA ARG A 79 5.547 -0.286 -7.083 1.00 0.00 C ATOM 1148 C ARG A 79 5.396 1.026 -6.317 1.00 0.00 C ATOM 1149 O ARG A 79 4.917 2.019 -6.863 1.00 0.00 O ATOM 1150 CB ARG A 79 4.170 -0.888 -7.370 1.00 0.00 C ATOM 1151 CG ARG A 79 4.228 -2.303 -7.919 1.00 0.00 C ATOM 1152 CD ARG A 79 4.439 -2.310 -9.424 1.00 0.00 C ATOM 1153 NE ARG A 79 5.798 -2.710 -9.786 1.00 0.00 N ATOM 1154 CZ ARG A 79 6.252 -2.744 -11.037 1.00 0.00 C ATOM 1155 NH1 ARG A 79 5.462 -2.402 -12.047 1.00 0.00 N ATOM 1156 NH2 ARG A 79 7.501 -3.120 -11.278 1.00 0.00 N ATOM 0 H ARG A 79 5.843 -1.844 -5.716 1.00 0.00 H new ATOM 0 HA ARG A 79 6.045 -0.079 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.584 -0.887 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.646 -0.252 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.038 -2.849 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.302 -2.826 -7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.725 -2.992 -9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.235 -1.316 -9.823 1.00 0.00 H new ATOM 0 HE ARG A 79 6.435 -2.979 -9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.501 -2.111 -11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.816 -2.430 -13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.113 -3.383 -10.505 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.850 -3.146 -12.236 1.00 0.00 H new ATOM 1170 N VAL A 80 5.810 1.030 -5.046 1.00 0.00 N ATOM 1171 CA VAL A 80 5.714 2.233 -4.226 1.00 0.00 C ATOM 1172 C VAL A 80 7.068 2.610 -3.632 1.00 0.00 C ATOM 1173 O VAL A 80 7.716 1.800 -2.971 1.00 0.00 O ATOM 1174 CB VAL A 80 4.695 2.064 -3.084 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.275 2.132 -3.621 1.00 0.00 C ATOM 1176 CG2 VAL A 80 4.932 0.757 -2.345 1.00 0.00 C ATOM 0 H VAL A 80 6.210 0.221 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 80 5.376 3.031 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 80 4.831 2.883 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.569 2.011 -2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.113 3.098 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.123 1.336 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.202 0.656 -1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.827 -0.077 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.937 0.754 -1.924 1.00 0.00 H new ATOM 1186 N THR A 81 7.488 3.847 -3.874 1.00 0.00 N ATOM 1187 CA THR A 81 8.763 4.335 -3.363 1.00 0.00 C ATOM 1188 C THR A 81 8.552 5.455 -2.350 1.00 0.00 C ATOM 1189 O THR A 81 7.521 6.126 -2.359 1.00 0.00 O ATOM 1190 CB THR A 81 9.641 4.831 -4.513 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.848 5.413 -5.533 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.472 3.736 -5.146 1.00 0.00 C ATOM 0 H THR A 81 6.964 4.530 -4.421 1.00 0.00 H new ATOM 0 HA THR A 81 9.265 3.507 -2.862 1.00 0.00 H new ATOM 0 HB THR A 81 10.314 5.564 -4.068 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.427 5.726 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.071 4.155 -5.954 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.130 3.299 -4.395 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.814 2.964 -5.545 1.00 0.00 H new