USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 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 17 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 18 ASN : amide:sc= -0.0163 K(o=-0.016,f=-1.2) USER MOD Single : A 23 ASN : amide:sc=-0.00451 X(o=-0.0045,f=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0463 F(o=-1.3!,f=-0.046) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00427 USER MOD Single : A 42 GLN : amide:sc= -0.78 K(o=-0.78,f=-2.9!) USER MOD Single : A 44 THR OG1 : rot -73:sc= 0.998 USER MOD Single : A 48 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 49 SER OG : rot -89:sc= -0.505! USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.101) USER MOD Single : A 53 TYR OH : rot -114:sc= 1.05 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.505 F(o=-3.3!,f=-0.5) USER MOD Single : A 67 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.51) USER MOD Single : A 69 MET CE :methyl -116:sc= -1.31 (180deg=-2.69) USER MOD Single : B 81 GLN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : B 84 MET CE :methyl 169:sc= -0.0207 (180deg=-0.279) USER MOD Single : B 85 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.15) USER MOD Single : B 86 HIS : +bothHN:sc= 0.888 K(o=0.89,f=-8.6!) USER MOD Single : B 90 HIS :FLIP no HE2:sc= -0.316 F(o=-1.5,f=-0.32) USER MOD Single : B 93 GLN :FLIP amide:sc= -0.359 F(o=-1.3,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 0.135 10.521 -3.247 1.00 0.00 N ATOM 169 CA VAL A 12 -0.151 9.632 -2.099 1.00 0.00 C ATOM 170 C VAL A 12 1.109 9.223 -1.283 1.00 0.00 C ATOM 171 O VAL A 12 1.208 8.111 -0.764 1.00 0.00 O ATOM 172 CB VAL A 12 -0.959 8.385 -2.580 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.171 7.528 -3.566 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.455 7.546 -1.411 1.00 0.00 C ATOM 0 HA VAL A 12 -0.758 10.208 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.830 8.772 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.776 6.674 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.083 8.123 -4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.743 7.174 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.012 6.689 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.604 7.197 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.105 8.151 -0.779 1.00 0.00 H new ATOM 184 N GLY A 13 2.054 10.152 -1.136 1.00 0.00 N ATOM 185 CA GLY A 13 3.299 9.860 -0.434 1.00 0.00 C ATOM 186 C GLY A 13 4.011 8.632 -0.982 1.00 0.00 C ATOM 187 O GLY A 13 4.726 7.944 -0.263 1.00 0.00 O ATOM 0 H GLY A 13 1.980 11.105 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.963 10.722 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.087 9.709 0.625 1.00 0.00 H new ATOM 191 N TRP A 14 3.812 8.373 -2.262 1.00 0.00 N ATOM 192 CA TRP A 14 4.338 7.192 -2.917 1.00 0.00 C ATOM 193 C TRP A 14 5.248 7.591 -4.064 1.00 0.00 C ATOM 194 O TRP A 14 5.009 8.598 -4.735 1.00 0.00 O ATOM 195 CB TRP A 14 3.164 6.350 -3.429 1.00 0.00 C ATOM 196 CG TRP A 14 3.540 5.206 -4.328 1.00 0.00 C ATOM 197 CD1 TRP A 14 4.099 4.018 -3.960 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.353 5.138 -5.747 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.282 3.220 -5.063 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.827 3.883 -6.171 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.835 6.020 -6.699 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.790 3.486 -7.506 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.798 5.625 -8.025 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.274 4.366 -8.416 1.00 0.00 C ATOM 0 H TRP A 14 3.276 8.982 -2.880 1.00 0.00 H new ATOM 0 HA TRP A 14 4.925 6.606 -2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.621 5.953 -2.571 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.477 7.003 -3.967 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.360 3.744 -2.948 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.690 2.285 -5.057 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.470 6.993 -6.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.156 2.517 -7.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.396 6.297 -8.769 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.232 4.085 -9.458 1.00 0.00 H new ATOM 215 N ASP A 15 6.306 6.831 -4.264 1.00 0.00 N ATOM 216 CA ASP A 15 7.185 7.040 -5.391 1.00 0.00 C ATOM 217 C ASP A 15 7.047 5.882 -6.362 1.00 0.00 C ATOM 218 O ASP A 15 7.125 4.718 -5.972 1.00 0.00 O ATOM 219 CB ASP A 15 8.637 7.167 -4.933 1.00 0.00 C ATOM 220 CG ASP A 15 9.586 7.330 -6.099 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.760 8.479 -6.565 1.00 0.00 O ATOM 222 OD2 ASP A 15 10.154 6.314 -6.562 1.00 0.00 O ATOM 0 H ASP A 15 6.577 6.059 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 15 6.902 7.969 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.733 8.023 -4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.915 6.283 -4.360 1.00 0.00 H new ATOM 227 N PRO A 16 6.824 6.212 -7.646 1.00 0.00 N ATOM 228 CA PRO A 16 6.553 5.243 -8.713 1.00 0.00 C ATOM 229 C PRO A 16 7.501 4.050 -8.730 1.00 0.00 C ATOM 230 O PRO A 16 7.100 2.955 -9.121 1.00 0.00 O ATOM 231 CB PRO A 16 6.708 6.060 -10.007 1.00 0.00 C ATOM 232 CG PRO A 16 7.226 7.398 -9.589 1.00 0.00 C ATOM 233 CD PRO A 16 6.805 7.583 -8.165 1.00 0.00 C ATOM 0 HA PRO A 16 5.567 4.799 -8.577 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.398 5.572 -10.696 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.754 6.155 -10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.311 7.442 -9.683 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.819 8.188 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.491 8.232 -7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.814 8.031 -8.090 1.00 0.00 H new ATOM 241 N GLN A 17 8.750 4.257 -8.334 1.00 0.00 N ATOM 242 CA GLN A 17 9.728 3.178 -8.340 1.00 0.00 C ATOM 243 C GLN A 17 10.030 2.662 -6.933 1.00 0.00 C ATOM 244 O GLN A 17 9.927 1.464 -6.674 1.00 0.00 O ATOM 245 CB GLN A 17 11.021 3.619 -9.014 1.00 0.00 C ATOM 246 CG GLN A 17 12.084 2.531 -9.035 1.00 0.00 C ATOM 247 CD GLN A 17 13.374 2.977 -9.682 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.380 3.818 -10.579 1.00 0.00 O ATOM 249 NE2 GLN A 17 14.477 2.411 -9.233 1.00 0.00 N ATOM 0 H GLN A 17 9.108 5.155 -8.007 1.00 0.00 H new ATOM 0 HA GLN A 17 9.286 2.360 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.804 3.926 -10.037 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.414 4.493 -8.495 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.288 2.211 -8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.697 1.663 -9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.427 1.717 -8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.380 2.667 -9.632 1.00 0.00 H new ATOM 258 N ASN A 18 10.399 3.562 -6.022 1.00 0.00 N ATOM 259 CA ASN A 18 10.923 3.147 -4.719 1.00 0.00 C ATOM 260 C ASN A 18 9.838 3.044 -3.656 1.00 0.00 C ATOM 261 O ASN A 18 10.136 2.977 -2.462 1.00 0.00 O ATOM 262 CB ASN A 18 12.033 4.087 -4.256 1.00 0.00 C ATOM 263 CG ASN A 18 13.290 3.944 -5.093 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.570 2.877 -5.638 1.00 0.00 O ATOM 265 ND2 ASN A 18 14.066 5.011 -5.187 1.00 0.00 N ATOM 0 H ASN A 18 10.346 4.571 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 18 11.336 2.147 -4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.680 5.117 -4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.268 3.882 -3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.931 4.967 -5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.800 5.878 -4.721 1.00 0.00 H new ATOM 272 N GLY A 19 8.587 3.045 -4.085 1.00 0.00 N ATOM 273 CA GLY A 19 7.501 2.729 -3.186 1.00 0.00 C ATOM 274 C GLY A 19 7.051 3.895 -2.335 1.00 0.00 C ATOM 275 O GLY A 19 7.399 5.045 -2.590 1.00 0.00 O ATOM 0 H GLY A 19 8.305 3.259 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.653 2.369 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.809 1.913 -2.533 1.00 0.00 H new ATOM 279 N PHE A 20 6.264 3.580 -1.323 1.00 0.00 N ATOM 280 CA PHE A 20 5.715 4.581 -0.427 1.00 0.00 C ATOM 281 C PHE A 20 6.803 5.167 0.454 1.00 0.00 C ATOM 282 O PHE A 20 7.574 4.433 1.075 1.00 0.00 O ATOM 283 CB PHE A 20 4.615 3.977 0.457 1.00 0.00 C ATOM 284 CG PHE A 20 3.351 3.624 -0.280 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.350 4.567 -0.453 1.00 0.00 C ATOM 286 CD2 PHE A 20 3.162 2.352 -0.796 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.186 4.248 -1.126 1.00 0.00 C ATOM 288 CE2 PHE A 20 2.001 2.028 -1.470 1.00 0.00 C ATOM 289 CZ PHE A 20 1.011 2.977 -1.636 1.00 0.00 C ATOM 0 H PHE A 20 5.988 2.624 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 20 5.285 5.373 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.004 3.079 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.373 4.684 1.250 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.481 5.563 -0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.932 1.605 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.414 4.992 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.867 1.033 -1.867 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.103 2.725 -2.163 1.00 0.00 H new ATOM 299 N ASP A 21 6.861 6.486 0.508 1.00 0.00 N ATOM 300 CA ASP A 21 7.788 7.165 1.388 1.00 0.00 C ATOM 301 C ASP A 21 7.260 7.050 2.807 1.00 0.00 C ATOM 302 O ASP A 21 6.465 7.875 3.240 1.00 0.00 O ATOM 303 CB ASP A 21 7.931 8.640 0.995 1.00 0.00 C ATOM 304 CG ASP A 21 9.051 9.343 1.739 1.00 0.00 C ATOM 305 OD1 ASP A 21 9.021 9.354 2.987 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.978 9.872 1.089 1.00 0.00 O ATOM 0 H ASP A 21 6.275 7.107 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 21 8.773 6.706 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.114 8.709 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.991 9.156 1.191 1.00 0.00 H new ATOM 311 N VAL A 22 7.693 6.010 3.508 1.00 0.00 N ATOM 312 CA VAL A 22 7.173 5.670 4.834 1.00 0.00 C ATOM 313 C VAL A 22 7.396 6.789 5.865 1.00 0.00 C ATOM 314 O VAL A 22 6.830 6.754 6.956 1.00 0.00 O ATOM 315 CB VAL A 22 7.811 4.365 5.351 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.393 3.191 4.481 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.329 4.477 5.383 1.00 0.00 C ATOM 0 H VAL A 22 8.417 5.374 3.175 1.00 0.00 H new ATOM 0 HA VAL A 22 6.098 5.536 4.716 1.00 0.00 H new ATOM 0 HB VAL A 22 7.457 4.196 6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.851 2.277 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.308 3.089 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.719 3.364 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.755 3.544 5.751 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.701 4.674 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.620 5.294 6.043 1.00 0.00 H new ATOM 327 N ASN A 23 8.211 7.777 5.520 1.00 0.00 N ATOM 328 CA ASN A 23 8.417 8.931 6.391 1.00 0.00 C ATOM 329 C ASN A 23 7.306 9.955 6.164 1.00 0.00 C ATOM 330 O ASN A 23 6.873 10.644 7.092 1.00 0.00 O ATOM 331 CB ASN A 23 9.796 9.557 6.140 1.00 0.00 C ATOM 332 CG ASN A 23 10.016 10.836 6.929 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.400 10.800 8.100 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.812 11.971 6.281 1.00 0.00 N ATOM 0 H ASN A 23 8.739 7.805 4.648 1.00 0.00 H new ATOM 0 HA ASN A 23 8.383 8.602 7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.570 8.836 6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.905 9.769 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.973 12.862 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.494 11.955 5.312 1.00 0.00 H new ATOM 341 N ASN A 24 6.832 10.019 4.928 1.00 0.00 N ATOM 342 CA ASN A 24 5.730 10.901 4.551 1.00 0.00 C ATOM 343 C ASN A 24 4.504 10.059 4.250 1.00 0.00 C ATOM 344 O ASN A 24 3.644 10.432 3.448 1.00 0.00 O ATOM 345 CB ASN A 24 6.085 11.737 3.316 1.00 0.00 C ATOM 346 CG ASN A 24 7.116 12.815 3.585 1.00 0.00 C ATOM 347 OD1 ASN A 24 7.095 13.384 4.782 1.00 0.00 O flip ATOM 348 ND2 ASN A 24 7.918 13.146 2.710 1.00 0.00 N flip ATOM 0 H ASN A 24 7.199 9.462 4.156 1.00 0.00 H new ATOM 0 HA ASN A 24 5.532 11.582 5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.460 11.075 2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.178 12.202 2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.901 12.683 1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.599 13.883 2.894 1.00 0.00 H new ATOM 355 N LEU A 25 4.438 8.913 4.900 1.00 0.00 N ATOM 356 CA LEU A 25 3.443 7.924 4.624 1.00 0.00 C ATOM 357 C LEU A 25 2.305 8.047 5.635 1.00 0.00 C ATOM 358 O LEU A 25 2.525 8.023 6.847 1.00 0.00 O ATOM 359 CB LEU A 25 4.134 6.560 4.664 1.00 0.00 C ATOM 360 CG LEU A 25 3.324 5.431 5.232 1.00 0.00 C ATOM 361 CD1 LEU A 25 2.203 5.063 4.289 1.00 0.00 C ATOM 362 CD2 LEU A 25 4.186 4.218 5.513 1.00 0.00 C ATOM 0 H LEU A 25 5.087 8.650 5.642 1.00 0.00 H new ATOM 0 HA LEU A 25 2.994 8.057 3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.430 6.294 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.049 6.655 5.248 1.00 0.00 H new ATOM 0 HG LEU A 25 2.900 5.769 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.624 4.243 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.554 5.926 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.620 4.754 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.568 3.420 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.649 3.879 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.962 4.482 6.232 1.00 0.00 H new ATOM 374 N ASP A 26 1.100 8.225 5.112 1.00 0.00 N ATOM 375 CA ASP A 26 -0.090 8.437 5.932 1.00 0.00 C ATOM 376 C ASP A 26 -0.338 7.279 6.895 1.00 0.00 C ATOM 377 O ASP A 26 -0.336 6.113 6.504 1.00 0.00 O ATOM 378 CB ASP A 26 -1.299 8.637 5.022 1.00 0.00 C ATOM 379 CG ASP A 26 -2.596 8.770 5.787 1.00 0.00 C ATOM 380 OD1 ASP A 26 -2.809 9.828 6.408 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.395 7.809 5.786 1.00 0.00 O ATOM 0 H ASP A 26 0.917 8.227 4.109 1.00 0.00 H new ATOM 0 HA ASP A 26 0.071 9.328 6.539 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.147 9.530 4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.373 7.794 4.335 1.00 0.00 H new ATOM 386 N PRO A 27 -0.538 7.616 8.185 1.00 0.00 N ATOM 387 CA PRO A 27 -0.768 6.642 9.262 1.00 0.00 C ATOM 388 C PRO A 27 -1.947 5.711 9.004 1.00 0.00 C ATOM 389 O PRO A 27 -1.913 4.549 9.404 1.00 0.00 O ATOM 390 CB PRO A 27 -1.056 7.512 10.486 1.00 0.00 C ATOM 391 CG PRO A 27 -0.410 8.813 10.186 1.00 0.00 C ATOM 392 CD PRO A 27 -0.521 8.996 8.699 1.00 0.00 C ATOM 0 HA PRO A 27 0.091 5.980 9.370 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.128 7.630 10.644 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.647 7.067 11.393 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.905 9.626 10.717 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.633 8.813 10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.427 9.537 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.320 9.563 8.300 1.00 0.00 H new ATOM 400 N ASP A 28 -2.991 6.220 8.355 1.00 0.00 N ATOM 401 CA ASP A 28 -4.156 5.402 8.026 1.00 0.00 C ATOM 402 C ASP A 28 -3.779 4.360 6.990 1.00 0.00 C ATOM 403 O ASP A 28 -4.144 3.189 7.106 1.00 0.00 O ATOM 404 CB ASP A 28 -5.306 6.263 7.500 1.00 0.00 C ATOM 405 CG ASP A 28 -5.886 7.168 8.562 1.00 0.00 C ATOM 406 OD1 ASP A 28 -5.348 8.277 8.769 1.00 0.00 O ATOM 407 OD2 ASP A 28 -6.896 6.785 9.181 1.00 0.00 O ATOM 0 H ASP A 28 -3.055 7.190 8.047 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.491 4.907 8.937 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.950 6.868 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.092 5.615 7.111 1.00 0.00 H new ATOM 412 N LEU A 29 -3.045 4.792 5.976 1.00 0.00 N ATOM 413 CA LEU A 29 -2.488 3.873 5.003 1.00 0.00 C ATOM 414 C LEU A 29 -1.579 2.875 5.704 1.00 0.00 C ATOM 415 O LEU A 29 -1.676 1.670 5.479 1.00 0.00 O ATOM 416 CB LEU A 29 -1.696 4.635 3.946 1.00 0.00 C ATOM 417 CG LEU A 29 -2.500 5.608 3.089 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.569 6.366 2.164 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.565 4.870 2.294 1.00 0.00 C ATOM 0 H LEU A 29 -2.823 5.773 5.808 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.304 3.341 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.901 5.190 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.215 3.912 3.287 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.004 6.320 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.148 7.060 1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.842 6.922 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.047 5.662 1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.127 5.582 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.090 4.137 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.243 4.361 2.979 1.00 0.00 H new ATOM 431 N ARG A 30 -0.715 3.393 6.572 1.00 0.00 N ATOM 432 CA ARG A 30 0.222 2.574 7.331 1.00 0.00 C ATOM 433 C ARG A 30 -0.518 1.503 8.132 1.00 0.00 C ATOM 434 O ARG A 30 -0.071 0.357 8.220 1.00 0.00 O ATOM 435 CB ARG A 30 1.043 3.458 8.256 1.00 0.00 C ATOM 436 CG ARG A 30 2.290 2.785 8.797 1.00 0.00 C ATOM 437 CD ARG A 30 3.325 3.824 9.156 1.00 0.00 C ATOM 438 NE ARG A 30 4.654 3.248 9.351 1.00 0.00 N ATOM 439 CZ ARG A 30 5.781 3.960 9.326 1.00 0.00 C ATOM 440 NH1 ARG A 30 5.737 5.283 9.209 1.00 0.00 N ATOM 441 NH2 ARG A 30 6.953 3.347 9.440 1.00 0.00 N ATOM 0 H ARG A 30 -0.645 4.392 6.768 1.00 0.00 H new ATOM 0 HA ARG A 30 0.891 2.070 6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.333 4.361 7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.419 3.772 9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.040 2.191 9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.695 2.099 8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.370 4.574 8.367 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.018 4.338 10.067 1.00 0.00 H new ATOM 0 HE ARG A 30 4.723 2.244 9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.838 5.759 9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.603 5.822 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.990 2.333 9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.816 3.890 9.421 1.00 0.00 H new ATOM 455 N SER A 31 -1.657 1.893 8.699 1.00 0.00 N ATOM 456 CA SER A 31 -2.522 0.977 9.432 1.00 0.00 C ATOM 457 C SER A 31 -2.939 -0.173 8.525 1.00 0.00 C ATOM 458 O SER A 31 -2.743 -1.346 8.848 1.00 0.00 O ATOM 459 CB SER A 31 -3.773 1.716 9.924 1.00 0.00 C ATOM 460 OG SER A 31 -4.456 0.972 10.913 1.00 0.00 O ATOM 0 H SER A 31 -2.004 2.851 8.663 1.00 0.00 H new ATOM 0 HA SER A 31 -1.975 0.585 10.290 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.488 2.687 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.440 1.905 9.083 1.00 0.00 H new ATOM 0 HG SER A 31 -5.247 1.469 11.208 1.00 0.00 H new ATOM 466 N LEU A 32 -3.488 0.191 7.371 1.00 0.00 N ATOM 467 CA LEU A 32 -3.988 -0.766 6.404 1.00 0.00 C ATOM 468 C LEU A 32 -2.902 -1.724 5.955 1.00 0.00 C ATOM 469 O LEU A 32 -3.081 -2.943 5.974 1.00 0.00 O ATOM 470 CB LEU A 32 -4.535 -0.036 5.181 1.00 0.00 C ATOM 471 CG LEU A 32 -4.989 -0.955 4.059 1.00 0.00 C ATOM 472 CD1 LEU A 32 -6.024 -1.928 4.575 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.544 -0.160 2.893 1.00 0.00 C ATOM 0 H LEU A 32 -3.597 1.164 7.084 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.780 -1.337 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.376 0.586 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.766 0.634 4.798 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.124 -1.513 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.344 -2.583 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.592 -2.527 5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.883 -1.377 4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.861 -0.843 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.398 0.429 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.773 0.506 2.507 1.00 0.00 H new ATOM 485 N PHE A 33 -1.782 -1.158 5.552 1.00 0.00 N ATOM 486 CA PHE A 33 -0.699 -1.930 4.971 1.00 0.00 C ATOM 487 C PHE A 33 -0.158 -2.927 5.982 1.00 0.00 C ATOM 488 O PHE A 33 0.081 -4.090 5.657 1.00 0.00 O ATOM 489 CB PHE A 33 0.415 -0.997 4.485 1.00 0.00 C ATOM 490 CG PHE A 33 -0.046 0.043 3.494 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.119 -0.213 2.648 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.586 1.277 3.409 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.548 0.739 1.742 1.00 0.00 C ATOM 494 CE2 PHE A 33 0.159 2.228 2.505 1.00 0.00 C ATOM 495 CZ PHE A 33 -0.883 1.962 1.663 1.00 0.00 C ATOM 0 H PHE A 33 -1.596 -0.157 5.617 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.084 -2.484 4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.855 -0.494 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.203 -1.596 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.623 -1.167 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.421 1.495 4.058 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.392 0.537 1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.652 3.188 2.463 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.192 2.699 0.936 1.00 0.00 H new ATOM 505 N SER A 34 -0.014 -2.475 7.218 1.00 0.00 N ATOM 506 CA SER A 34 0.483 -3.319 8.287 1.00 0.00 C ATOM 507 C SER A 34 -0.494 -4.463 8.573 1.00 0.00 C ATOM 508 O SER A 34 -0.081 -5.571 8.921 1.00 0.00 O ATOM 509 CB SER A 34 0.725 -2.485 9.540 1.00 0.00 C ATOM 510 OG SER A 34 1.299 -3.266 10.576 1.00 0.00 O ATOM 0 H SER A 34 -0.237 -1.522 7.504 1.00 0.00 H new ATOM 0 HA SER A 34 1.430 -3.759 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.385 -1.651 9.302 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.217 -2.058 9.883 1.00 0.00 H new ATOM 0 HG SER A 34 1.444 -2.705 11.366 1.00 0.00 H new ATOM 516 N ARG A 35 -1.790 -4.194 8.412 1.00 0.00 N ATOM 517 CA ARG A 35 -2.812 -5.227 8.564 1.00 0.00 C ATOM 518 C ARG A 35 -2.696 -6.245 7.443 1.00 0.00 C ATOM 519 O ARG A 35 -2.726 -7.454 7.670 1.00 0.00 O ATOM 520 CB ARG A 35 -4.210 -4.623 8.525 1.00 0.00 C ATOM 521 CG ARG A 35 -4.519 -3.728 9.695 1.00 0.00 C ATOM 522 CD ARG A 35 -5.852 -3.021 9.507 1.00 0.00 C ATOM 523 NE ARG A 35 -6.103 -2.043 10.558 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.201 -1.294 10.642 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.174 -1.403 9.741 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.327 -0.431 11.639 1.00 0.00 N ATOM 0 H ARG A 35 -2.155 -3.271 8.177 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.654 -5.709 9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.323 -4.052 7.603 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.943 -5.429 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.543 -4.318 10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.726 -2.990 9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.865 -2.523 8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.655 -3.758 9.498 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.390 -1.924 11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.085 -2.067 8.972 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.009 -0.822 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.586 -0.344 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.165 0.147 11.711 1.00 0.00 H new ATOM 540 N ALA A 36 -2.549 -5.720 6.232 1.00 0.00 N ATOM 541 CA ALA A 36 -2.503 -6.524 5.020 1.00 0.00 C ATOM 542 C ALA A 36 -1.275 -7.432 4.993 1.00 0.00 C ATOM 543 O ALA A 36 -1.261 -8.462 4.317 1.00 0.00 O ATOM 544 CB ALA A 36 -2.522 -5.606 3.804 1.00 0.00 C ATOM 0 H ALA A 36 -2.458 -4.718 6.064 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.380 -7.171 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.488 -6.206 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.435 -5.011 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.657 -4.944 3.835 1.00 0.00 H new ATOM 550 N GLY A 37 -0.246 -7.043 5.730 1.00 0.00 N ATOM 551 CA GLY A 37 0.964 -7.834 5.793 1.00 0.00 C ATOM 552 C GLY A 37 2.135 -7.102 5.194 1.00 0.00 C ATOM 553 O GLY A 37 3.290 -7.454 5.433 1.00 0.00 O ATOM 0 H GLY A 37 -0.228 -6.189 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.183 -8.084 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.813 -8.775 5.264 1.00 0.00 H new ATOM 557 N ILE A 38 1.819 -6.079 4.415 1.00 0.00 N ATOM 558 CA ILE A 38 2.818 -5.246 3.778 1.00 0.00 C ATOM 559 C ILE A 38 3.624 -4.485 4.828 1.00 0.00 C ATOM 560 O ILE A 38 3.097 -3.611 5.519 1.00 0.00 O ATOM 561 CB ILE A 38 2.155 -4.227 2.835 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.043 -4.889 2.016 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.197 -3.621 1.912 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.000 -3.915 1.527 1.00 0.00 C ATOM 0 H ILE A 38 0.858 -5.805 4.208 1.00 0.00 H new ATOM 0 HA ILE A 38 3.478 -5.898 3.205 1.00 0.00 H new ATOM 0 HB ILE A 38 1.710 -3.436 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.486 -5.397 1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.559 -5.653 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.720 -2.901 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.960 -3.117 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.661 -4.410 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.757 -4.450 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.469 -3.425 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.472 -3.165 0.892 1.00 0.00 H new ATOM 576 N SER A 39 4.890 -4.834 4.964 1.00 0.00 N ATOM 577 CA SER A 39 5.756 -4.155 5.913 1.00 0.00 C ATOM 578 C SER A 39 6.469 -2.985 5.239 1.00 0.00 C ATOM 579 O SER A 39 6.277 -2.746 4.042 1.00 0.00 O ATOM 580 CB SER A 39 6.768 -5.136 6.509 1.00 0.00 C ATOM 581 OG SER A 39 7.521 -4.538 7.553 1.00 0.00 O ATOM 0 H SER A 39 5.341 -5.579 4.433 1.00 0.00 H new ATOM 0 HA SER A 39 5.144 -3.761 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.245 -6.012 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.442 -5.485 5.727 1.00 0.00 H new ATOM 0 HG SER A 39 8.157 -5.191 7.913 1.00 0.00 H new ATOM 587 N GLU A 40 7.293 -2.278 6.002 1.00 0.00 N ATOM 588 CA GLU A 40 8.005 -1.097 5.519 1.00 0.00 C ATOM 589 C GLU A 40 8.801 -1.415 4.253 1.00 0.00 C ATOM 590 O GLU A 40 8.759 -0.667 3.273 1.00 0.00 O ATOM 591 CB GLU A 40 8.933 -0.583 6.622 1.00 0.00 C ATOM 592 CG GLU A 40 9.730 0.655 6.252 1.00 0.00 C ATOM 593 CD GLU A 40 10.569 1.145 7.409 1.00 0.00 C ATOM 594 OE1 GLU A 40 11.641 0.556 7.663 1.00 0.00 O ATOM 595 OE2 GLU A 40 10.145 2.098 8.095 1.00 0.00 O ATOM 0 H GLU A 40 7.488 -2.507 6.977 1.00 0.00 H new ATOM 0 HA GLU A 40 7.279 -0.325 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.336 -0.364 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.627 -1.378 6.894 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.376 0.432 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.049 1.445 5.936 1.00 0.00 H new ATOM 602 N ALA A 41 9.519 -2.533 4.277 1.00 0.00 N ATOM 603 CA ALA A 41 10.271 -2.987 3.117 1.00 0.00 C ATOM 604 C ALA A 41 9.362 -3.158 1.903 1.00 0.00 C ATOM 605 O ALA A 41 9.612 -2.586 0.847 1.00 0.00 O ATOM 606 CB ALA A 41 10.987 -4.289 3.434 1.00 0.00 C ATOM 0 H ALA A 41 9.595 -3.142 5.092 1.00 0.00 H new ATOM 0 HA ALA A 41 11.013 -2.227 2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.546 -4.619 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.674 -4.133 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.255 -5.050 3.705 1.00 0.00 H new ATOM 612 N GLN A 42 8.296 -3.927 2.059 1.00 0.00 N ATOM 613 CA GLN A 42 7.373 -4.163 0.956 1.00 0.00 C ATOM 614 C GLN A 42 6.809 -2.850 0.422 1.00 0.00 C ATOM 615 O GLN A 42 6.683 -2.667 -0.788 1.00 0.00 O ATOM 616 CB GLN A 42 6.221 -5.065 1.376 1.00 0.00 C ATOM 617 CG GLN A 42 6.619 -6.501 1.623 1.00 0.00 C ATOM 618 CD GLN A 42 5.417 -7.398 1.822 1.00 0.00 C ATOM 619 OE1 GLN A 42 4.930 -7.562 2.936 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.939 -7.995 0.743 1.00 0.00 N ATOM 0 H GLN A 42 8.048 -4.396 2.930 1.00 0.00 H new ATOM 0 HA GLN A 42 7.942 -4.659 0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.771 -4.663 2.284 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.454 -5.040 0.602 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.206 -6.864 0.780 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.259 -6.553 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.374 -7.831 -0.165 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.136 -8.619 0.819 1.00 0.00 H new ATOM 629 N LEU A 43 6.480 -1.939 1.335 1.00 0.00 N ATOM 630 CA LEU A 43 5.937 -0.637 0.963 1.00 0.00 C ATOM 631 C LEU A 43 6.911 0.146 0.106 1.00 0.00 C ATOM 632 O LEU A 43 6.504 0.979 -0.699 1.00 0.00 O ATOM 633 CB LEU A 43 5.582 0.183 2.204 1.00 0.00 C ATOM 634 CG LEU A 43 4.331 -0.279 2.945 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.084 0.585 4.171 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.131 -0.237 2.016 1.00 0.00 C ATOM 0 H LEU A 43 6.581 -2.080 2.340 1.00 0.00 H new ATOM 0 HA LEU A 43 5.032 -0.822 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.426 0.155 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.447 1.223 1.908 1.00 0.00 H new ATOM 0 HG LEU A 43 4.483 -1.306 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.187 0.239 4.685 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.938 0.514 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.949 1.622 3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.243 -0.569 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.981 0.783 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.307 -0.895 1.165 1.00 0.00 H new ATOM 648 N THR A 44 8.190 -0.143 0.260 1.00 0.00 N ATOM 649 CA THR A 44 9.213 0.585 -0.459 1.00 0.00 C ATOM 650 C THR A 44 9.735 -0.234 -1.638 1.00 0.00 C ATOM 651 O THR A 44 10.770 0.083 -2.225 1.00 0.00 O ATOM 652 CB THR A 44 10.372 0.990 0.477 1.00 0.00 C ATOM 653 OG1 THR A 44 10.724 -0.103 1.339 1.00 0.00 O ATOM 654 CG2 THR A 44 9.989 2.197 1.322 1.00 0.00 C ATOM 0 H THR A 44 8.542 -0.876 0.876 1.00 0.00 H new ATOM 0 HA THR A 44 8.761 1.497 -0.848 1.00 0.00 H new ATOM 0 HB THR A 44 11.229 1.251 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.028 -0.220 2.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.821 2.464 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.755 3.038 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.117 1.954 1.929 1.00 0.00 H new ATOM 662 N ASP A 45 9.017 -1.302 -1.981 1.00 0.00 N ATOM 663 CA ASP A 45 9.384 -2.113 -3.134 1.00 0.00 C ATOM 664 C ASP A 45 8.633 -1.659 -4.373 1.00 0.00 C ATOM 665 O ASP A 45 7.520 -1.144 -4.262 1.00 0.00 O ATOM 666 CB ASP A 45 9.096 -3.592 -2.905 1.00 0.00 C ATOM 667 CG ASP A 45 9.971 -4.457 -3.784 1.00 0.00 C ATOM 668 OD1 ASP A 45 11.206 -4.388 -3.651 1.00 0.00 O ATOM 669 OD2 ASP A 45 9.413 -5.240 -4.587 1.00 0.00 O ATOM 0 H ASP A 45 8.187 -1.621 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 45 10.456 -1.982 -3.278 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.267 -3.841 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.047 -3.799 -3.115 1.00 0.00 H new ATOM 674 N ALA A 46 9.219 -1.870 -5.542 1.00 0.00 N ATOM 675 CA ALA A 46 8.646 -1.372 -6.783 1.00 0.00 C ATOM 676 C ALA A 46 7.287 -1.998 -7.087 1.00 0.00 C ATOM 677 O ALA A 46 6.255 -1.321 -7.011 1.00 0.00 O ATOM 678 CB ALA A 46 9.606 -1.607 -7.936 1.00 0.00 C ATOM 0 H ALA A 46 10.093 -2.384 -5.657 1.00 0.00 H new ATOM 0 HA ALA A 46 8.486 -0.301 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.165 -1.230 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.543 -1.085 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.800 -2.675 -8.036 1.00 0.00 H new ATOM 684 N GLU A 47 7.285 -3.288 -7.411 1.00 0.00 N ATOM 685 CA GLU A 47 6.073 -3.954 -7.876 1.00 0.00 C ATOM 686 C GLU A 47 5.030 -4.008 -6.771 1.00 0.00 C ATOM 687 O GLU A 47 3.837 -3.855 -7.029 1.00 0.00 O ATOM 688 CB GLU A 47 6.395 -5.361 -8.403 1.00 0.00 C ATOM 689 CG GLU A 47 6.464 -6.452 -7.340 1.00 0.00 C ATOM 690 CD GLU A 47 7.326 -7.620 -7.775 1.00 0.00 C ATOM 691 OE1 GLU A 47 6.891 -8.392 -8.653 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.457 -7.752 -7.266 1.00 0.00 O ATOM 0 H GLU A 47 8.106 -3.891 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 47 5.657 -3.374 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.639 -5.639 -9.137 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.350 -5.326 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.863 -6.032 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.457 -6.807 -7.120 1.00 0.00 H new ATOM 699 N THR A 48 5.489 -4.209 -5.540 1.00 0.00 N ATOM 700 CA THR A 48 4.598 -4.266 -4.401 1.00 0.00 C ATOM 701 C THR A 48 3.791 -2.975 -4.249 1.00 0.00 C ATOM 702 O THR A 48 2.563 -2.996 -4.323 1.00 0.00 O ATOM 703 CB THR A 48 5.369 -4.554 -3.097 1.00 0.00 C ATOM 704 OG1 THR A 48 6.164 -5.739 -3.253 1.00 0.00 O ATOM 705 CG2 THR A 48 4.391 -4.731 -1.940 1.00 0.00 C ATOM 0 H THR A 48 6.475 -4.335 -5.312 1.00 0.00 H new ATOM 0 HA THR A 48 3.905 -5.086 -4.587 1.00 0.00 H new ATOM 0 HB THR A 48 6.025 -3.711 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.653 -5.917 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.945 -4.934 -1.023 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.805 -3.820 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.723 -5.566 -2.153 1.00 0.00 H new ATOM 713 N SER A 49 4.480 -1.853 -4.069 1.00 0.00 N ATOM 714 CA SER A 49 3.813 -0.583 -3.795 1.00 0.00 C ATOM 715 C SER A 49 3.001 -0.108 -4.996 1.00 0.00 C ATOM 716 O SER A 49 1.927 0.478 -4.841 1.00 0.00 O ATOM 717 CB SER A 49 4.842 0.476 -3.421 1.00 0.00 C ATOM 718 OG SER A 49 5.712 0.735 -4.507 1.00 0.00 O ATOM 0 H SER A 49 5.498 -1.796 -4.108 1.00 0.00 H new ATOM 0 HA SER A 49 3.128 -0.739 -2.962 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.335 1.395 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.419 0.141 -2.559 1.00 0.00 H new ATOM 0 HG SER A 49 6.481 0.129 -4.462 1.00 0.00 H new ATOM 724 N LYS A 50 3.528 -0.361 -6.189 1.00 0.00 N ATOM 725 CA LYS A 50 2.865 0.021 -7.428 1.00 0.00 C ATOM 726 C LYS A 50 1.468 -0.588 -7.484 1.00 0.00 C ATOM 727 O LYS A 50 0.492 0.078 -7.834 1.00 0.00 O ATOM 728 CB LYS A 50 3.687 -0.464 -8.625 1.00 0.00 C ATOM 729 CG LYS A 50 3.411 0.286 -9.916 1.00 0.00 C ATOM 730 CD LYS A 50 4.137 -0.353 -11.090 1.00 0.00 C ATOM 731 CE LYS A 50 4.206 0.585 -12.280 1.00 0.00 C ATOM 732 NZ LYS A 50 5.192 1.677 -12.061 1.00 0.00 N ATOM 0 H LYS A 50 4.422 -0.834 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 50 2.780 1.107 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.746 -0.373 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.486 -1.524 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.339 0.297 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.727 1.324 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.146 -0.632 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.626 -1.271 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.479 0.022 -13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.221 1.015 -12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.376 2.164 -12.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.811 2.356 -11.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.080 1.275 -11.697 1.00 0.00 H new ATOM 746 N LEU A 51 1.380 -1.856 -7.110 1.00 0.00 N ATOM 747 CA LEU A 51 0.117 -2.570 -7.132 1.00 0.00 C ATOM 748 C LEU A 51 -0.730 -2.246 -5.909 1.00 0.00 C ATOM 749 O LEU A 51 -1.948 -2.407 -5.937 1.00 0.00 O ATOM 750 CB LEU A 51 0.369 -4.068 -7.251 1.00 0.00 C ATOM 751 CG LEU A 51 0.815 -4.511 -8.644 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.447 -5.885 -8.599 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.370 -4.513 -9.592 1.00 0.00 C ATOM 0 H LEU A 51 2.172 -2.411 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.448 -2.242 -8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.131 -4.357 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.543 -4.602 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 51 1.562 -3.804 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.756 -6.177 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.318 -5.864 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.724 -6.606 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.043 -4.830 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.130 -5.202 -9.223 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.789 -3.509 -9.652 1.00 0.00 H new ATOM 765 N ILE A 52 -0.091 -1.798 -4.832 1.00 0.00 N ATOM 766 CA ILE A 52 -0.822 -1.270 -3.690 1.00 0.00 C ATOM 767 C ILE A 52 -1.569 0.008 -4.067 1.00 0.00 C ATOM 768 O ILE A 52 -2.721 0.197 -3.682 1.00 0.00 O ATOM 769 CB ILE A 52 0.105 -0.976 -2.501 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.743 -2.273 -2.002 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.670 -0.281 -1.389 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.653 -2.085 -0.814 1.00 0.00 C ATOM 0 H ILE A 52 0.924 -1.791 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.535 -2.039 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 52 0.902 -0.307 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.046 -2.976 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.311 -2.724 -2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.002 -0.078 -0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.079 0.658 -1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.484 -0.925 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.068 -3.048 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.464 -1.407 -1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.086 -1.663 0.016 1.00 0.00 H new ATOM 784 N TYR A 53 -0.918 0.887 -4.816 1.00 0.00 N ATOM 785 CA TYR A 53 -1.584 2.096 -5.273 1.00 0.00 C ATOM 786 C TYR A 53 -2.737 1.741 -6.203 1.00 0.00 C ATOM 787 O TYR A 53 -3.846 2.261 -6.060 1.00 0.00 O ATOM 788 CB TYR A 53 -0.620 3.049 -5.980 1.00 0.00 C ATOM 789 CG TYR A 53 -1.349 4.191 -6.645 1.00 0.00 C ATOM 790 CD1 TYR A 53 -2.051 5.119 -5.888 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.379 4.308 -8.028 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.759 6.143 -6.493 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.091 5.322 -8.640 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.778 6.237 -7.870 1.00 0.00 C ATOM 795 OH TYR A 53 -3.497 7.243 -8.481 1.00 0.00 O ATOM 0 H TYR A 53 0.052 0.789 -5.115 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.969 2.609 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.095 3.445 -5.258 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.047 2.499 -6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.045 5.041 -4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.838 3.596 -8.634 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.293 6.864 -5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.109 5.398 -9.717 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.238 6.853 -8.990 1.00 0.00 H new ATOM 805 N ASP A 54 -2.470 0.847 -7.149 1.00 0.00 N ATOM 806 CA ASP A 54 -3.506 0.345 -8.050 1.00 0.00 C ATOM 807 C ASP A 54 -4.650 -0.260 -7.247 1.00 0.00 C ATOM 808 O ASP A 54 -5.821 -0.090 -7.580 1.00 0.00 O ATOM 809 CB ASP A 54 -2.916 -0.694 -9.005 1.00 0.00 C ATOM 810 CG ASP A 54 -3.982 -1.438 -9.784 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.474 -0.895 -10.796 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.323 -2.576 -9.390 1.00 0.00 O ATOM 0 H ASP A 54 -1.544 0.453 -7.313 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.895 1.176 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.240 -0.199 -9.702 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.321 -1.409 -8.437 1.00 0.00 H new ATOM 817 N PHE A 55 -4.288 -0.951 -6.176 1.00 0.00 N ATOM 818 CA PHE A 55 -5.251 -1.477 -5.223 1.00 0.00 C ATOM 819 C PHE A 55 -6.155 -0.366 -4.701 1.00 0.00 C ATOM 820 O PHE A 55 -7.374 -0.437 -4.823 1.00 0.00 O ATOM 821 CB PHE A 55 -4.506 -2.137 -4.058 1.00 0.00 C ATOM 822 CG PHE A 55 -5.351 -2.409 -2.851 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.078 -3.589 -2.738 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.426 -1.486 -1.832 1.00 0.00 C ATOM 825 CE1 PHE A 55 -6.857 -3.834 -1.629 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.203 -1.725 -0.724 1.00 0.00 C ATOM 827 CZ PHE A 55 -6.910 -2.923 -0.615 1.00 0.00 C ATOM 0 H PHE A 55 -3.317 -1.162 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.874 -2.217 -5.724 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.077 -3.077 -4.404 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.674 -1.496 -3.766 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.031 -4.322 -3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.868 -0.564 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.427 -4.749 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.266 -0.986 0.061 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.497 -3.128 0.268 1.00 0.00 H new ATOM 837 N ILE A 56 -5.539 0.662 -4.134 1.00 0.00 N ATOM 838 CA ILE A 56 -6.267 1.773 -3.538 1.00 0.00 C ATOM 839 C ILE A 56 -7.164 2.462 -4.566 1.00 0.00 C ATOM 840 O ILE A 56 -8.293 2.857 -4.267 1.00 0.00 O ATOM 841 CB ILE A 56 -5.291 2.801 -2.929 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.418 2.132 -1.864 1.00 0.00 C ATOM 843 CG2 ILE A 56 -6.047 3.977 -2.334 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.389 3.055 -1.252 1.00 0.00 C ATOM 0 H ILE A 56 -4.524 0.749 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.896 1.365 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.648 3.179 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.060 1.743 -1.073 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.908 1.278 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.338 4.689 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.631 4.466 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.715 3.621 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.809 2.510 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.723 3.425 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.892 3.896 -0.776 1.00 0.00 H new ATOM 856 N GLU A 57 -6.663 2.568 -5.786 1.00 0.00 N ATOM 857 CA GLU A 57 -7.379 3.243 -6.859 1.00 0.00 C ATOM 858 C GLU A 57 -8.525 2.372 -7.376 1.00 0.00 C ATOM 859 O GLU A 57 -9.511 2.880 -7.915 1.00 0.00 O ATOM 860 CB GLU A 57 -6.409 3.592 -7.992 1.00 0.00 C ATOM 861 CG GLU A 57 -7.014 4.486 -9.061 1.00 0.00 C ATOM 862 CD GLU A 57 -5.984 5.017 -10.035 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.480 4.227 -10.863 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.650 6.214 -9.965 1.00 0.00 O ATOM 0 H GLU A 57 -5.755 2.192 -6.060 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.809 4.165 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.534 4.087 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.060 2.670 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.771 3.926 -9.610 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.521 5.324 -8.583 1.00 0.00 H new ATOM 871 N ASP A 58 -8.402 1.064 -7.180 1.00 0.00 N ATOM 872 CA ASP A 58 -9.416 0.114 -7.634 1.00 0.00 C ATOM 873 C ASP A 58 -10.731 0.329 -6.894 1.00 0.00 C ATOM 874 O ASP A 58 -11.803 0.253 -7.491 1.00 0.00 O ATOM 875 CB ASP A 58 -8.941 -1.330 -7.434 1.00 0.00 C ATOM 876 CG ASP A 58 -9.862 -2.352 -8.080 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.854 -2.751 -7.432 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.611 -2.755 -9.237 1.00 0.00 O ATOM 0 H ASP A 58 -7.607 0.634 -6.708 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.578 0.287 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.939 -1.438 -7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.868 -1.538 -6.367 1.00 0.00 H new ATOM 883 N GLN A 59 -10.650 0.617 -5.595 1.00 0.00 N ATOM 884 CA GLN A 59 -11.862 0.830 -4.800 1.00 0.00 C ATOM 885 C GLN A 59 -12.348 2.275 -4.893 1.00 0.00 C ATOM 886 O GLN A 59 -13.340 2.647 -4.263 1.00 0.00 O ATOM 887 CB GLN A 59 -11.664 0.433 -3.329 1.00 0.00 C ATOM 888 CG GLN A 59 -11.629 -1.072 -3.092 1.00 0.00 C ATOM 889 CD GLN A 59 -10.251 -1.669 -3.288 1.00 0.00 C ATOM 890 OE1 GLN A 59 -9.231 -0.916 -2.920 1.00 0.00 O flip ATOM 891 NE2 GLN A 59 -10.108 -2.809 -3.732 1.00 0.00 N flip ATOM 0 H GLN A 59 -9.776 0.707 -5.077 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.627 0.180 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.732 0.869 -2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.469 0.865 -2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.970 -1.283 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.330 -1.558 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.924 -3.356 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.173 -3.206 -3.827 1.00 0.00 H new ATOM 900 N GLY A 60 -11.660 3.091 -5.680 1.00 0.00 N ATOM 901 CA GLY A 60 -12.117 4.451 -5.899 1.00 0.00 C ATOM 902 C GLY A 60 -11.130 5.508 -5.447 1.00 0.00 C ATOM 903 O GLY A 60 -11.130 6.622 -5.968 1.00 0.00 O ATOM 0 H GLY A 60 -10.800 2.839 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.322 4.589 -6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.059 4.597 -5.371 1.00 0.00 H new ATOM 907 N GLY A 61 -10.287 5.181 -4.482 1.00 0.00 N ATOM 908 CA GLY A 61 -9.304 6.145 -4.031 1.00 0.00 C ATOM 909 C GLY A 61 -8.949 6.006 -2.567 1.00 0.00 C ATOM 910 O GLY A 61 -9.274 5.000 -1.933 1.00 0.00 O ATOM 0 H GLY A 61 -10.263 4.279 -4.007 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.399 6.035 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.684 7.151 -4.210 1.00 0.00 H new ATOM 914 N LEU A 62 -8.292 7.031 -2.032 1.00 0.00 N ATOM 915 CA LEU A 62 -7.781 6.996 -0.665 1.00 0.00 C ATOM 916 C LEU A 62 -8.914 6.972 0.352 1.00 0.00 C ATOM 917 O LEU A 62 -8.941 6.127 1.248 1.00 0.00 O ATOM 918 CB LEU A 62 -6.880 8.204 -0.412 1.00 0.00 C ATOM 919 CG LEU A 62 -5.607 8.247 -1.257 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.820 9.515 -0.973 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.755 7.020 -0.984 1.00 0.00 C ATOM 0 H LEU A 62 -8.100 7.901 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.202 6.080 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.453 9.112 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.600 8.215 0.641 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.889 8.249 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.917 9.527 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.432 10.384 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.545 9.544 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.851 7.062 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.482 6.994 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.319 6.122 -1.235 1.00 0.00 H new ATOM 933 N GLU A 63 -9.852 7.895 0.197 1.00 0.00 N ATOM 934 CA GLU A 63 -10.992 7.987 1.099 1.00 0.00 C ATOM 935 C GLU A 63 -11.809 6.705 1.051 1.00 0.00 C ATOM 936 O GLU A 63 -12.368 6.271 2.056 1.00 0.00 O ATOM 937 CB GLU A 63 -11.876 9.175 0.720 1.00 0.00 C ATOM 938 CG GLU A 63 -11.133 10.499 0.653 1.00 0.00 C ATOM 939 CD GLU A 63 -10.481 10.878 1.965 1.00 0.00 C ATOM 940 OE1 GLU A 63 -9.379 10.368 2.254 1.00 0.00 O ATOM 941 OE2 GLU A 63 -11.075 11.672 2.721 1.00 0.00 O ATOM 0 H GLU A 63 -9.846 8.593 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.617 8.132 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.336 8.978 -0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.685 9.260 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.369 10.442 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.828 11.285 0.359 1.00 0.00 H new ATOM 948 N ALA A 64 -11.837 6.085 -0.121 1.00 0.00 N ATOM 949 CA ALA A 64 -12.648 4.899 -0.343 1.00 0.00 C ATOM 950 C ALA A 64 -12.179 3.729 0.513 1.00 0.00 C ATOM 951 O ALA A 64 -12.979 3.108 1.210 1.00 0.00 O ATOM 952 CB ALA A 64 -12.634 4.520 -1.813 1.00 0.00 C ATOM 0 H ALA A 64 -11.303 6.387 -0.936 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.670 5.135 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.245 3.630 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.036 5.342 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.610 4.315 -2.126 1.00 0.00 H new ATOM 958 N VAL A 65 -10.882 3.436 0.478 1.00 0.00 N ATOM 959 CA VAL A 65 -10.353 2.304 1.233 1.00 0.00 C ATOM 960 C VAL A 65 -10.372 2.606 2.729 1.00 0.00 C ATOM 961 O VAL A 65 -10.468 1.702 3.557 1.00 0.00 O ATOM 962 CB VAL A 65 -8.927 1.908 0.784 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.862 1.769 -0.727 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.889 2.897 1.287 1.00 0.00 C ATOM 0 H VAL A 65 -10.187 3.958 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.002 1.453 1.028 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.694 0.940 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.851 1.490 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.561 0.998 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.127 2.719 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.899 2.587 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.111 3.889 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.911 2.925 2.376 1.00 0.00 H new ATOM 974 N ARG A 66 -10.307 3.889 3.070 1.00 0.00 N ATOM 975 CA ARG A 66 -10.427 4.306 4.457 1.00 0.00 C ATOM 976 C ARG A 66 -11.829 4.011 4.967 1.00 0.00 C ATOM 977 O ARG A 66 -12.015 3.620 6.119 1.00 0.00 O ATOM 978 CB ARG A 66 -10.102 5.792 4.605 1.00 0.00 C ATOM 979 CG ARG A 66 -8.620 6.099 4.478 1.00 0.00 C ATOM 980 CD ARG A 66 -8.342 7.588 4.564 1.00 0.00 C ATOM 981 NE ARG A 66 -6.906 7.866 4.601 1.00 0.00 N ATOM 982 CZ ARG A 66 -6.301 8.774 3.842 1.00 0.00 C ATOM 983 NH1 ARG A 66 -7.001 9.520 3.000 1.00 0.00 N ATOM 984 NH2 ARG A 66 -4.995 8.950 3.945 1.00 0.00 N ATOM 0 H ARG A 66 -10.173 4.652 2.407 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.710 3.744 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.648 6.353 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.456 6.139 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.073 5.581 5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.250 5.715 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.789 8.092 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.815 7.996 5.457 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.332 7.328 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.012 9.400 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.529 10.215 2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.455 8.390 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.527 9.646 3.364 1.00 0.00 H new ATOM 998 N GLN A 67 -12.812 4.163 4.093 1.00 0.00 N ATOM 999 CA GLN A 67 -14.188 3.862 4.442 1.00 0.00 C ATOM 1000 C GLN A 67 -14.376 2.364 4.623 1.00 0.00 C ATOM 1001 O GLN A 67 -15.140 1.939 5.484 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.149 4.398 3.388 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.131 5.913 3.289 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.469 6.584 4.607 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -14.587 6.853 5.426 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -16.744 6.867 4.818 1.00 0.00 N ATOM 0 H GLN A 67 -12.680 4.493 3.137 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.413 4.357 5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.891 3.972 2.418 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.160 4.066 3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.145 6.241 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.843 6.233 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -17.443 6.628 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -17.028 7.325 5.684 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.656 1.569 3.824 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.719 0.110 3.936 1.00 0.00 C ATOM 1017 C GLU A 68 -13.290 -0.332 5.331 1.00 0.00 C ATOM 1018 O GLU A 68 -13.756 -1.347 5.836 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.820 -0.588 2.910 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.910 -0.028 1.504 1.00 0.00 C ATOM 1021 CD GLU A 68 -12.906 -1.113 0.443 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -11.925 -1.872 0.353 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -13.911 -1.227 -0.287 1.00 0.00 O ATOM 0 H GLU A 68 -13.027 1.910 3.097 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.754 -0.175 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.786 -0.521 3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.078 -1.647 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.821 0.564 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.072 0.647 1.331 1.00 0.00 H new ATOM 1030 N MET A 69 -12.405 0.444 5.949 1.00 0.00 N ATOM 1031 CA MET A 69 -11.936 0.155 7.303 1.00 0.00 C ATOM 1032 C MET A 69 -13.108 0.062 8.273 1.00 0.00 C ATOM 1033 O MET A 69 -13.107 -0.757 9.189 1.00 0.00 O ATOM 1034 CB MET A 69 -10.971 1.231 7.787 1.00 0.00 C ATOM 1035 CG MET A 69 -9.562 1.071 7.259 1.00 0.00 C ATOM 1036 SD MET A 69 -8.407 2.208 8.039 1.00 0.00 S ATOM 1037 CE MET A 69 -6.871 1.488 7.483 1.00 0.00 C ATOM 0 H MET A 69 -11.996 1.281 5.533 1.00 0.00 H new ATOM 0 HA MET A 69 -11.417 -0.803 7.272 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.352 2.208 7.489 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.944 1.218 8.877 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.228 0.047 7.425 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.559 1.236 6.182 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.308 1.123 8.342 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.081 0.658 6.808 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.284 2.242 6.959 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.112 0.904 8.048 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.281 0.956 8.911 1.00 0.00 C ATOM 1049 C ARG A 70 -16.489 0.355 8.201 1.00 0.00 C ATOM 1050 O ARG A 70 -17.626 0.540 8.636 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.619 2.405 9.294 1.00 0.00 C ATOM 1052 CG ARG A 70 -14.519 3.177 10.020 1.00 0.00 C ATOM 1053 CD ARG A 70 -13.488 3.758 9.062 1.00 0.00 C ATOM 1054 NE ARG A 70 -12.877 4.982 9.592 1.00 0.00 N ATOM 1055 CZ ARG A 70 -11.686 5.458 9.215 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -10.931 4.798 8.350 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -11.254 6.610 9.696 1.00 0.00 N ATOM 0 H ARG A 70 -14.136 1.562 7.269 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.050 0.386 9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.879 2.949 8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -16.507 2.396 9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.967 3.984 10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -14.021 2.515 10.728 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.711 3.017 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.963 3.974 8.105 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.397 5.506 10.296 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.256 3.913 7.961 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.025 5.175 8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.829 7.136 10.354 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.345 6.974 9.409 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.615 -3.506 4.694 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.975 -3.444 3.378 1.00 0.00 C ATOM 1205 C VAL B 79 -8.626 -4.189 3.345 1.00 0.00 C ATOM 1206 O VAL B 79 -8.131 -4.556 2.280 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.798 -1.961 2.940 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.197 -1.130 4.051 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -8.949 -1.825 1.686 1.00 0.00 C ATOM 0 HA VAL B 79 -10.631 -3.951 2.670 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.797 -1.589 2.713 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.086 -0.099 3.715 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -9.852 -1.159 4.922 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.220 -1.532 4.318 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.856 -0.772 1.422 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -7.959 -2.242 1.870 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.423 -2.364 0.866 1.00 0.00 H new ATOM 1219 N ALA B 80 -8.056 -4.453 4.512 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.747 -5.094 4.593 1.00 0.00 C ATOM 1221 C ALA B 80 -6.749 -6.495 3.985 1.00 0.00 C ATOM 1222 O ALA B 80 -5.744 -6.927 3.415 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.275 -5.126 6.029 1.00 0.00 C ATOM 0 H ALA B 80 -8.477 -4.235 5.415 1.00 0.00 H new ATOM 0 HA ALA B 80 -6.050 -4.500 4.002 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.298 -5.606 6.080 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.200 -4.108 6.410 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.987 -5.688 6.634 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.873 -7.199 4.081 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.977 -8.523 3.477 1.00 0.00 C ATOM 1231 C GLN B 81 -7.895 -8.395 1.958 1.00 0.00 C ATOM 1232 O GLN B 81 -7.301 -9.234 1.272 1.00 0.00 O ATOM 1233 CB GLN B 81 -9.297 -9.213 3.861 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.541 -8.535 3.288 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.755 -9.444 3.216 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -12.588 -9.310 2.321 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -11.874 -10.365 4.155 1.00 0.00 N ATOM 0 H GLN B 81 -8.713 -6.881 4.564 1.00 0.00 H new ATOM 0 HA GLN B 81 -7.154 -9.133 3.849 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.268 -10.247 3.517 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.378 -9.240 4.948 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.785 -7.666 3.900 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.315 -8.167 2.287 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -11.163 -10.447 4.882 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -12.677 -10.994 4.153 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.474 -7.312 1.461 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.562 -7.038 0.046 1.00 0.00 C ATOM 1248 C ARG B 82 -7.165 -6.866 -0.554 1.00 0.00 C ATOM 1249 O ARG B 82 -6.951 -7.092 -1.746 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.405 -5.768 -0.146 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.803 -5.499 -1.579 1.00 0.00 C ATOM 1252 CD ARG B 82 -11.273 -5.783 -1.811 1.00 0.00 C ATOM 1253 NE ARG B 82 -12.127 -4.757 -1.205 1.00 0.00 N ATOM 1254 CZ ARG B 82 -13.404 -4.941 -0.883 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -13.973 -6.126 -1.066 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -14.113 -3.940 -0.381 1.00 0.00 N ATOM 0 H ARG B 82 -8.901 -6.592 2.044 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.036 -7.873 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.307 -5.849 0.461 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -8.844 -4.913 0.230 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -9.589 -4.460 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -9.202 -6.117 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -11.469 -5.833 -2.882 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.525 -6.758 -1.395 1.00 0.00 H new ATOM 0 HE ARG B 82 -11.715 -3.843 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -13.431 -6.898 -1.454 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -14.953 -6.265 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -13.679 -3.027 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -15.092 -4.082 -0.134 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.205 -6.504 0.295 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.846 -6.235 -0.160 1.00 0.00 C ATOM 1272 C LEU B 83 -4.063 -7.524 -0.315 1.00 0.00 C ATOM 1273 O LEU B 83 -3.273 -7.668 -1.249 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.113 -5.298 0.802 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.810 -3.913 0.235 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.211 -3.001 1.289 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.884 -4.016 -0.972 1.00 0.00 C ATOM 0 H LEU B 83 -6.344 -6.391 1.299 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.920 -5.746 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.714 -5.183 1.704 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.175 -5.767 1.101 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.754 -3.474 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -3.008 -2.024 0.851 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.913 -2.890 2.115 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.281 -3.434 1.659 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.681 -3.018 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.947 -4.487 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.361 -4.617 -1.746 1.00 0.00 H new ATOM 1289 N MET B 84 -4.302 -8.467 0.589 1.00 0.00 N ATOM 1290 CA MET B 84 -3.580 -9.732 0.567 1.00 0.00 C ATOM 1291 C MET B 84 -3.811 -10.457 -0.747 1.00 0.00 C ATOM 1292 O MET B 84 -2.907 -11.098 -1.280 1.00 0.00 O ATOM 1293 CB MET B 84 -4.002 -10.622 1.732 1.00 0.00 C ATOM 1294 CG MET B 84 -3.721 -10.010 3.085 1.00 0.00 C ATOM 1295 SD MET B 84 -4.006 -11.164 4.434 1.00 0.00 S ATOM 1296 CE MET B 84 -3.726 -10.090 5.835 1.00 0.00 C ATOM 0 H MET B 84 -4.985 -8.380 1.341 1.00 0.00 H new ATOM 0 HA MET B 84 -2.517 -9.511 0.667 1.00 0.00 H new ATOM 0 HB2 MET B 84 -5.068 -10.833 1.651 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.481 -11.577 1.658 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.687 -9.666 3.117 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.353 -9.133 3.222 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.050 -10.590 6.748 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.664 -9.856 5.907 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.293 -9.168 5.706 1.00 0.00 H new ATOM 1306 N GLN B 85 -5.018 -10.336 -1.274 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.348 -10.966 -2.539 1.00 0.00 C ATOM 1308 C GLN B 85 -4.645 -10.264 -3.691 1.00 0.00 C ATOM 1309 O GLN B 85 -4.118 -10.913 -4.591 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.858 -10.942 -2.779 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.667 -11.684 -1.731 1.00 0.00 C ATOM 1312 CD GLN B 85 -7.235 -13.125 -1.569 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -6.389 -13.443 -0.734 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -7.799 -14.009 -2.376 1.00 0.00 N ATOM 0 H GLN B 85 -5.781 -9.810 -0.848 1.00 0.00 H new ATOM 0 HA GLN B 85 -5.010 -12.001 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.193 -9.905 -2.813 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.066 -11.376 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.571 -11.171 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.722 -11.654 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.497 -13.707 -3.056 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -7.536 -14.993 -2.318 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.598 -8.937 -3.632 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.157 -8.142 -4.773 1.00 0.00 C ATOM 1325 C HIS B 86 -2.644 -8.218 -4.984 1.00 0.00 C ATOM 1326 O HIS B 86 -2.169 -8.081 -6.112 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.604 -6.687 -4.630 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.613 -5.948 -5.932 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.300 -6.397 -7.039 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.022 -4.790 -6.305 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.134 -5.548 -8.033 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.363 -4.563 -7.617 1.00 0.00 N ATOM 0 H HIS B 86 -4.858 -8.391 -2.810 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.630 -8.570 -5.657 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.604 -6.661 -4.196 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -3.941 -6.176 -3.933 1.00 0.00 H new ATOM 0 HD1 HIS B 86 -5.852 -7.254 -7.082 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.398 -4.161 -5.687 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -5.558 -5.643 -9.022 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.068 -3.763 -8.177 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.877 -8.424 -3.919 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.438 -8.626 -4.078 1.00 0.00 C ATOM 1343 C LEU B 87 -0.153 -10.071 -4.485 1.00 0.00 C ATOM 1344 O LEU B 87 0.712 -10.339 -5.327 1.00 0.00 O ATOM 1345 CB LEU B 87 0.350 -8.286 -2.803 1.00 0.00 C ATOM 1346 CG LEU B 87 0.482 -6.796 -2.437 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.150 -5.883 -3.614 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.378 -6.458 -1.231 1.00 0.00 C ATOM 0 H LEU B 87 -2.215 -8.456 -2.957 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.106 -7.943 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.123 -8.799 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.353 -8.700 -2.905 1.00 0.00 H new ATOM 0 HG LEU B 87 1.526 -6.620 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.257 -4.842 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.831 -6.091 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.876 -6.063 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.269 -5.400 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.422 -6.673 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.061 -7.058 -0.378 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.907 -10.993 -3.901 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.708 -12.420 -4.140 1.00 0.00 C ATOM 1362 C ALA B 88 -1.085 -12.811 -5.565 1.00 0.00 C ATOM 1363 O ALA B 88 -0.482 -13.708 -6.152 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.514 -13.238 -3.145 1.00 0.00 C ATOM 0 H ALA B 88 -1.666 -10.778 -3.255 1.00 0.00 H new ATOM 0 HA ALA B 88 0.353 -12.632 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.356 -14.300 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.192 -12.999 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.573 -13.003 -3.254 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.069 -12.120 -6.126 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.561 -12.440 -7.461 1.00 0.00 C ATOM 1372 C GLU B 89 -1.588 -11.991 -8.549 1.00 0.00 C ATOM 1373 O GLU B 89 -1.851 -12.171 -9.736 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.921 -11.790 -7.692 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.881 -10.268 -7.697 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.192 -9.649 -8.123 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.576 -9.789 -9.305 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.860 -9.040 -7.269 1.00 0.00 O ATOM 0 H GLU B 89 -2.542 -11.335 -5.678 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.656 -13.524 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -4.322 -12.137 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -4.609 -12.124 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -3.624 -9.913 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -3.091 -9.932 -8.368 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.471 -11.398 -8.153 1.00 0.00 N ATOM 1386 CA HIS B 90 0.509 -10.936 -9.128 1.00 0.00 C ATOM 1387 C HIS B 90 1.880 -11.564 -8.908 1.00 0.00 C ATOM 1388 O HIS B 90 2.366 -12.307 -9.760 1.00 0.00 O ATOM 1389 CB HIS B 90 0.616 -9.412 -9.130 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.526 -8.735 -9.832 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.633 -8.125 -9.349 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -0.619 -8.653 -11.202 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.370 -7.693 -10.426 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -1.729 -8.024 -11.530 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.222 -11.227 -7.179 1.00 0.00 H new ATOM 0 HA HIS B 90 0.151 -11.259 -10.106 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.662 -9.057 -8.100 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.551 -9.121 -9.609 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -1.876 -8.007 -8.365 1.00 0.00 H new ATOM 0 HD2 HIS B 90 0.106 -9.044 -11.901 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.314 -7.171 -10.376 1.00 0.00 H new ATOM 1403 N GLY B 91 2.501 -11.270 -7.770 1.00 0.00 N ATOM 1404 CA GLY B 91 3.819 -11.816 -7.488 1.00 0.00 C ATOM 1405 C GLY B 91 4.669 -10.896 -6.636 1.00 0.00 C ATOM 1406 O GLY B 91 5.891 -10.868 -6.767 1.00 0.00 O ATOM 0 H GLY B 91 2.119 -10.667 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.709 -12.774 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.335 -12.011 -8.428 1.00 0.00 H new ATOM 1410 N ILE B 92 4.016 -10.151 -5.759 1.00 0.00 N ATOM 1411 CA ILE B 92 4.689 -9.234 -4.852 1.00 0.00 C ATOM 1412 C ILE B 92 5.686 -9.963 -3.951 1.00 0.00 C ATOM 1413 O ILE B 92 5.450 -11.101 -3.534 1.00 0.00 O ATOM 1414 CB ILE B 92 3.641 -8.483 -4.000 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.119 -7.280 -4.782 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.192 -8.056 -2.646 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.275 -7.647 -5.978 1.00 0.00 C ATOM 0 H ILE B 92 3.001 -10.165 -5.655 1.00 0.00 H new ATOM 0 HA ILE B 92 5.253 -8.517 -5.449 1.00 0.00 H new ATOM 0 HB ILE B 92 2.819 -9.169 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.530 -6.652 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.966 -6.682 -5.117 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.417 -7.533 -2.086 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.510 -8.937 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE B 92 5.044 -7.392 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.942 -6.739 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.865 -8.249 -6.669 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.407 -8.219 -5.649 1.00 0.00 H new ATOM 1429 N GLN B 93 6.799 -9.300 -3.666 1.00 0.00 N ATOM 1430 CA GLN B 93 7.836 -9.876 -2.829 1.00 0.00 C ATOM 1431 C GLN B 93 7.485 -9.687 -1.354 1.00 0.00 C ATOM 1432 O GLN B 93 7.202 -8.572 -0.911 1.00 0.00 O ATOM 1433 CB GLN B 93 9.187 -9.233 -3.148 1.00 0.00 C ATOM 1434 CG GLN B 93 10.367 -10.163 -2.918 1.00 0.00 C ATOM 1435 CD GLN B 93 10.285 -11.422 -3.762 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.671 -11.316 -4.934 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 10.764 -12.484 -3.366 1.00 0.00 N flip ATOM 0 H GLN B 93 7.005 -8.360 -4.005 1.00 0.00 H new ATOM 0 HA GLN B 93 7.905 -10.944 -3.034 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.189 -8.906 -4.188 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.311 -8.342 -2.533 1.00 0.00 H new ATOM 0 HG2 GLN B 93 11.292 -9.635 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN B 93 10.410 -10.438 -1.864 1.00 0.00 H new ATOM 0 HE21 GLN B 93 11.229 -12.527 -2.459 1.00 0.00 H new ATOM 0 HE22 GLN B 93 10.696 -13.321 -3.945 1.00 0.00 H new