USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 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 Set 1.1: A 23 ASN : amide:sc= 0.357 K(o=0.71,f=-3.3!) USER MOD Set 1.2: A 24 ASN : amide:sc= 0.357 K(o=0.71,f=0.026) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 18 ASN :FLIP amide:sc= -0.0598 F(o=-1.5!,f=-0.06) 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= -0.0643 USER MOD Single : A 42 GLN : amide:sc= -1.15 K(o=-1.2,f=-4.5!) USER MOD Single : A 44 THR OG1 : rot 11:sc= 1.19 USER MOD Single : A 48 THR OG1 : rot 64:sc= -1.04! USER MOD Single : A 49 SER OG : rot -72:sc= 0.945 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -1.44 F(o=-2.5!,f=-1.4) USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 69 MET CE :methyl -152:sc= -0.924 (180deg=-2.81!) USER MOD Single : B 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 84 MET CE :methyl -176:sc= -4.47! (180deg=-4.59!) USER MOD Single : B 85 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.19) USER MOD Single : B 86 HIS : no HD1:sc= -0.58 K(o=-0.58,f=-5!) USER MOD Single : B 90 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.02) USER MOD Single : B 93 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.507 10.130 -3.312 1.00 0.00 N ATOM 169 CA VAL A 12 -0.590 9.189 -2.175 1.00 0.00 C ATOM 170 C VAL A 12 0.781 8.855 -1.537 1.00 0.00 C ATOM 171 O VAL A 12 1.007 7.749 -1.048 1.00 0.00 O ATOM 172 CB VAL A 12 -1.366 7.900 -2.597 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.621 7.099 -3.657 1.00 0.00 C ATOM 174 CG2 VAL A 12 -1.709 7.022 -1.398 1.00 0.00 C ATOM 0 HA VAL A 12 -1.148 9.696 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.302 8.240 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.200 6.213 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.480 7.714 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.351 6.796 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.248 6.137 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.791 6.717 -0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.334 7.583 -0.703 1.00 0.00 H new ATOM 184 N GLY A 13 1.679 9.840 -1.514 1.00 0.00 N ATOM 185 CA GLY A 13 2.998 9.647 -0.928 1.00 0.00 C ATOM 186 C GLY A 13 3.757 8.484 -1.549 1.00 0.00 C ATOM 187 O GLY A 13 4.650 7.911 -0.926 1.00 0.00 O ATOM 0 H GLY A 13 1.515 10.773 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.581 10.560 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.893 9.475 0.143 1.00 0.00 H new ATOM 191 N TRP A 14 3.406 8.150 -2.782 1.00 0.00 N ATOM 192 CA TRP A 14 3.977 7.002 -3.469 1.00 0.00 C ATOM 193 C TRP A 14 4.762 7.446 -4.694 1.00 0.00 C ATOM 194 O TRP A 14 4.343 8.352 -5.419 1.00 0.00 O ATOM 195 CB TRP A 14 2.852 6.038 -3.875 1.00 0.00 C ATOM 196 CG TRP A 14 3.286 4.928 -4.784 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.926 3.780 -4.427 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.103 4.864 -6.202 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.161 3.006 -5.537 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.662 3.649 -6.641 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.522 5.719 -7.146 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.654 3.269 -7.982 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.516 5.340 -8.474 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.079 4.124 -8.881 1.00 0.00 C ATOM 0 H TRP A 14 2.719 8.666 -3.333 1.00 0.00 H new ATOM 0 HA TRP A 14 4.664 6.490 -2.795 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.418 5.605 -2.974 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.063 6.607 -4.367 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.208 3.517 -3.418 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.630 2.100 -5.540 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.086 6.659 -6.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.087 2.332 -8.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.070 5.992 -9.211 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.059 3.856 -9.927 1.00 0.00 H new ATOM 215 N ASP A 15 5.905 6.818 -4.907 1.00 0.00 N ATOM 216 CA ASP A 15 6.696 7.058 -6.100 1.00 0.00 C ATOM 217 C ASP A 15 6.922 5.731 -6.821 1.00 0.00 C ATOM 218 O ASP A 15 7.245 4.734 -6.185 1.00 0.00 O ATOM 219 CB ASP A 15 8.027 7.720 -5.738 1.00 0.00 C ATOM 220 CG ASP A 15 8.500 8.673 -6.817 1.00 0.00 C ATOM 221 OD1 ASP A 15 7.938 9.779 -6.935 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.437 8.314 -7.557 1.00 0.00 O ATOM 0 H ASP A 15 6.307 6.135 -4.265 1.00 0.00 H new ATOM 0 HA ASP A 15 6.161 7.738 -6.763 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.919 8.262 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.782 6.951 -5.577 1.00 0.00 H new ATOM 227 N PRO A 16 6.742 5.711 -8.152 1.00 0.00 N ATOM 228 CA PRO A 16 6.714 4.483 -8.968 1.00 0.00 C ATOM 229 C PRO A 16 7.782 3.434 -8.628 1.00 0.00 C ATOM 230 O PRO A 16 7.499 2.235 -8.647 1.00 0.00 O ATOM 231 CB PRO A 16 6.918 4.989 -10.405 1.00 0.00 C ATOM 232 CG PRO A 16 7.132 6.465 -10.302 1.00 0.00 C ATOM 233 CD PRO A 16 6.536 6.892 -8.993 1.00 0.00 C ATOM 0 HA PRO A 16 5.777 3.954 -8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.775 4.503 -10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.049 4.764 -11.024 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.194 6.707 -10.342 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.656 6.985 -11.133 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.036 7.772 -8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.480 7.142 -9.090 1.00 0.00 H new ATOM 241 N GLN A 17 8.999 3.867 -8.328 1.00 0.00 N ATOM 242 CA GLN A 17 10.102 2.930 -8.129 1.00 0.00 C ATOM 243 C GLN A 17 10.432 2.743 -6.649 1.00 0.00 C ATOM 244 O GLN A 17 10.660 1.623 -6.194 1.00 0.00 O ATOM 245 CB GLN A 17 11.340 3.421 -8.875 1.00 0.00 C ATOM 246 CG GLN A 17 11.063 3.812 -10.319 1.00 0.00 C ATOM 247 CD GLN A 17 12.275 4.409 -11.006 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.126 5.029 -10.369 1.00 0.00 O ATOM 249 NE2 GLN A 17 12.354 4.232 -12.313 1.00 0.00 N ATOM 0 H GLN A 17 9.249 4.850 -8.217 1.00 0.00 H new ATOM 0 HA GLN A 17 9.789 1.964 -8.524 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.755 4.280 -8.348 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.099 2.639 -8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.733 2.933 -10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.244 4.531 -10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.626 3.711 -12.802 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.143 4.616 -12.833 1.00 0.00 H new ATOM 258 N ASN A 18 10.469 3.840 -5.902 1.00 0.00 N ATOM 259 CA ASN A 18 10.861 3.792 -4.493 1.00 0.00 C ATOM 260 C ASN A 18 9.684 3.468 -3.583 1.00 0.00 C ATOM 261 O ASN A 18 9.862 3.259 -2.384 1.00 0.00 O ATOM 262 CB ASN A 18 11.509 5.106 -4.059 1.00 0.00 C ATOM 263 CG ASN A 18 12.890 5.309 -4.659 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.616 4.223 -4.888 1.00 0.00 O flip ATOM 265 ND2 ASN A 18 13.311 6.439 -4.904 1.00 0.00 N flip ATOM 0 H ASN A 18 10.234 4.772 -6.244 1.00 0.00 H new ATOM 0 HA ASN A 18 11.591 2.988 -4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.866 5.936 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.584 5.127 -2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.726 7.253 -4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.245 6.562 -5.295 1.00 0.00 H new ATOM 272 N GLY A 19 8.488 3.440 -4.145 1.00 0.00 N ATOM 273 CA GLY A 19 7.325 3.041 -3.388 1.00 0.00 C ATOM 274 C GLY A 19 6.771 4.151 -2.521 1.00 0.00 C ATOM 275 O GLY A 19 6.945 5.333 -2.817 1.00 0.00 O ATOM 0 H GLY A 19 8.302 3.688 -5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.549 2.704 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.584 2.190 -2.757 1.00 0.00 H new ATOM 279 N PHE A 20 6.094 3.759 -1.455 1.00 0.00 N ATOM 280 CA PHE A 20 5.507 4.706 -0.519 1.00 0.00 C ATOM 281 C PHE A 20 6.576 5.248 0.416 1.00 0.00 C ATOM 282 O PHE A 20 7.361 4.486 0.981 1.00 0.00 O ATOM 283 CB PHE A 20 4.405 4.041 0.319 1.00 0.00 C ATOM 284 CG PHE A 20 3.178 3.638 -0.454 1.00 0.00 C ATOM 285 CD1 PHE A 20 3.125 2.419 -1.116 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.080 4.481 -0.527 1.00 0.00 C ATOM 287 CE1 PHE A 20 2.003 2.053 -1.834 1.00 0.00 C ATOM 288 CE2 PHE A 20 0.957 4.117 -1.242 1.00 0.00 C ATOM 289 CZ PHE A 20 0.908 2.884 -1.869 1.00 0.00 C ATOM 0 H PHE A 20 5.936 2.781 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 20 5.071 5.520 -1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.820 3.156 0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.108 4.727 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.971 1.749 -1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.104 5.434 -0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.986 1.114 -2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.118 4.793 -1.312 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.011 2.575 -2.385 1.00 0.00 H new ATOM 299 N ASP A 21 6.609 6.559 0.578 1.00 0.00 N ATOM 300 CA ASP A 21 7.509 7.175 1.541 1.00 0.00 C ATOM 301 C ASP A 21 6.953 6.978 2.937 1.00 0.00 C ATOM 302 O ASP A 21 6.272 7.847 3.462 1.00 0.00 O ATOM 303 CB ASP A 21 7.700 8.669 1.262 1.00 0.00 C ATOM 304 CG ASP A 21 8.615 8.933 0.088 1.00 0.00 C ATOM 305 OD1 ASP A 21 9.793 8.517 0.142 1.00 0.00 O ATOM 306 OD2 ASP A 21 8.167 9.570 -0.890 1.00 0.00 O ATOM 0 H ASP A 21 6.027 7.216 0.059 1.00 0.00 H new ATOM 0 HA ASP A 21 8.485 6.697 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.729 9.125 1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.108 9.151 2.151 1.00 0.00 H new ATOM 311 N VAL A 22 7.246 5.821 3.521 1.00 0.00 N ATOM 312 CA VAL A 22 6.712 5.426 4.829 1.00 0.00 C ATOM 313 C VAL A 22 6.983 6.475 5.917 1.00 0.00 C ATOM 314 O VAL A 22 6.232 6.578 6.886 1.00 0.00 O ATOM 315 CB VAL A 22 7.294 4.065 5.269 1.00 0.00 C ATOM 316 CG1 VAL A 22 6.804 2.959 4.347 1.00 0.00 C ATOM 317 CG2 VAL A 22 8.818 4.100 5.285 1.00 0.00 C ATOM 0 H VAL A 22 7.863 5.125 3.102 1.00 0.00 H new ATOM 0 HA VAL A 22 5.632 5.342 4.709 1.00 0.00 H new ATOM 0 HB VAL A 22 6.948 3.861 6.282 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.222 2.005 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.716 2.909 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.123 3.169 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.201 3.129 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.187 4.330 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.157 4.866 5.982 1.00 0.00 H new ATOM 327 N ASN A 23 8.035 7.272 5.744 1.00 0.00 N ATOM 328 CA ASN A 23 8.390 8.294 6.729 1.00 0.00 C ATOM 329 C ASN A 23 7.529 9.548 6.552 1.00 0.00 C ATOM 330 O ASN A 23 7.546 10.451 7.388 1.00 0.00 O ATOM 331 CB ASN A 23 9.881 8.651 6.635 1.00 0.00 C ATOM 332 CG ASN A 23 10.255 9.355 5.340 1.00 0.00 C ATOM 333 OD1 ASN A 23 9.641 9.135 4.292 1.00 0.00 O ATOM 334 ND2 ASN A 23 11.269 10.203 5.399 1.00 0.00 N ATOM 0 H ASN A 23 8.655 7.231 4.935 1.00 0.00 H new ATOM 0 HA ASN A 23 8.197 7.883 7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.147 9.290 7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.471 7.739 6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.567 10.701 4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.752 10.359 6.283 1.00 0.00 H new ATOM 341 N ASN A 24 6.786 9.593 5.455 1.00 0.00 N ATOM 342 CA ASN A 24 5.840 10.673 5.187 1.00 0.00 C ATOM 343 C ASN A 24 4.481 10.074 4.868 1.00 0.00 C ATOM 344 O ASN A 24 3.604 10.729 4.304 1.00 0.00 O ATOM 345 CB ASN A 24 6.308 11.526 4.003 1.00 0.00 C ATOM 346 CG ASN A 24 7.482 12.422 4.339 1.00 0.00 C ATOM 347 OD1 ASN A 24 7.302 13.564 4.755 1.00 0.00 O ATOM 348 ND2 ASN A 24 8.691 11.914 4.154 1.00 0.00 N ATOM 0 H ASN A 24 6.820 8.883 4.724 1.00 0.00 H new ATOM 0 HA ASN A 24 5.775 11.310 6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.585 10.870 3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.478 12.141 3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.517 12.476 4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.796 10.961 3.807 1.00 0.00 H new ATOM 355 N LEU A 25 4.317 8.826 5.270 1.00 0.00 N ATOM 356 CA LEU A 25 3.205 8.014 4.866 1.00 0.00 C ATOM 357 C LEU A 25 2.085 8.098 5.900 1.00 0.00 C ATOM 358 O LEU A 25 2.332 8.022 7.105 1.00 0.00 O ATOM 359 CB LEU A 25 3.748 6.594 4.693 1.00 0.00 C ATOM 360 CG LEU A 25 2.858 5.472 5.158 1.00 0.00 C ATOM 361 CD1 LEU A 25 1.749 5.236 4.160 1.00 0.00 C ATOM 362 CD2 LEU A 25 3.654 4.198 5.361 1.00 0.00 C ATOM 0 H LEU A 25 4.967 8.350 5.895 1.00 0.00 H new ATOM 0 HA LEU A 25 2.766 8.355 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.968 6.439 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.694 6.523 5.229 1.00 0.00 H new ATOM 0 HG LEU A 25 2.421 5.760 6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.113 4.422 4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.154 6.143 4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.179 4.972 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.988 3.403 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.121 3.907 4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.426 4.367 6.112 1.00 0.00 H new ATOM 374 N ASP A 26 0.864 8.284 5.409 1.00 0.00 N ATOM 375 CA ASP A 26 -0.314 8.466 6.256 1.00 0.00 C ATOM 376 C ASP A 26 -0.518 7.274 7.191 1.00 0.00 C ATOM 377 O ASP A 26 -0.511 6.122 6.760 1.00 0.00 O ATOM 378 CB ASP A 26 -1.552 8.662 5.379 1.00 0.00 C ATOM 379 CG ASP A 26 -2.817 8.860 6.186 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.424 7.855 6.604 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.205 10.021 6.410 1.00 0.00 O ATOM 0 H ASP A 26 0.661 8.313 4.410 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.158 9.351 6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.400 9.526 4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.673 7.795 4.730 1.00 0.00 H new ATOM 386 N PRO A 27 -0.696 7.565 8.493 1.00 0.00 N ATOM 387 CA PRO A 27 -0.848 6.552 9.552 1.00 0.00 C ATOM 388 C PRO A 27 -1.981 5.555 9.306 1.00 0.00 C ATOM 389 O PRO A 27 -1.899 4.405 9.742 1.00 0.00 O ATOM 390 CB PRO A 27 -1.155 7.381 10.802 1.00 0.00 C ATOM 391 CG PRO A 27 -0.590 8.726 10.519 1.00 0.00 C ATOM 392 CD PRO A 27 -0.744 8.934 9.040 1.00 0.00 C ATOM 0 HA PRO A 27 0.048 5.935 9.620 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.228 7.434 10.987 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.700 6.941 11.689 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.119 9.497 11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.458 8.779 10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.685 9.429 8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.055 9.556 8.637 1.00 0.00 H new ATOM 400 N ASP A 28 -3.028 5.987 8.611 1.00 0.00 N ATOM 401 CA ASP A 28 -4.175 5.120 8.352 1.00 0.00 C ATOM 402 C ASP A 28 -3.819 4.129 7.254 1.00 0.00 C ATOM 403 O ASP A 28 -4.102 2.934 7.362 1.00 0.00 O ATOM 404 CB ASP A 28 -5.406 5.945 7.963 1.00 0.00 C ATOM 405 CG ASP A 28 -6.700 5.157 8.044 1.00 0.00 C ATOM 406 OD1 ASP A 28 -6.866 4.361 8.992 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.529 5.278 7.120 1.00 0.00 O ATOM 0 H ASP A 28 -3.108 6.925 8.219 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.421 4.572 9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.475 6.814 8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.279 6.320 6.947 1.00 0.00 H new ATOM 412 N LEU A 29 -3.165 4.625 6.207 1.00 0.00 N ATOM 413 CA LEU A 29 -2.604 3.753 5.183 1.00 0.00 C ATOM 414 C LEU A 29 -1.589 2.811 5.817 1.00 0.00 C ATOM 415 O LEU A 29 -1.571 1.614 5.536 1.00 0.00 O ATOM 416 CB LEU A 29 -1.914 4.575 4.094 1.00 0.00 C ATOM 417 CG LEU A 29 -2.812 5.513 3.293 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.966 6.356 2.355 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.859 4.727 2.514 1.00 0.00 C ATOM 0 H LEU A 29 -3.012 5.621 6.047 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.415 3.180 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.126 5.168 4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.429 3.888 3.400 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.337 6.172 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.611 7.024 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.256 6.945 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.423 5.705 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.487 5.417 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.363 4.043 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.477 4.157 3.208 1.00 0.00 H new ATOM 431 N ARG A 30 -0.760 3.380 6.685 1.00 0.00 N ATOM 432 CA ARG A 30 0.266 2.635 7.399 1.00 0.00 C ATOM 433 C ARG A 30 -0.351 1.472 8.170 1.00 0.00 C ATOM 434 O ARG A 30 0.172 0.357 8.157 1.00 0.00 O ATOM 435 CB ARG A 30 0.996 3.576 8.342 1.00 0.00 C ATOM 436 CG ARG A 30 2.367 3.091 8.771 1.00 0.00 C ATOM 437 CD ARG A 30 3.228 4.276 9.146 1.00 0.00 C ATOM 438 NE ARG A 30 4.626 3.922 9.395 1.00 0.00 N ATOM 439 CZ ARG A 30 5.431 4.622 10.196 1.00 0.00 C ATOM 440 NH1 ARG A 30 4.954 5.650 10.888 1.00 0.00 N ATOM 441 NH2 ARG A 30 6.709 4.297 10.312 1.00 0.00 N ATOM 0 H ARG A 30 -0.782 4.374 6.913 1.00 0.00 H new ATOM 0 HA ARG A 30 0.975 2.219 6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.102 4.547 7.857 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.383 3.729 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.275 2.412 9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.835 2.530 7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.185 5.015 8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.816 4.748 10.038 1.00 0.00 H new ATOM 0 HE ARG A 30 5.005 3.096 8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.970 5.906 10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.572 6.184 11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.084 3.507 9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.319 4.837 10.926 1.00 0.00 H new ATOM 455 N SER A 31 -1.477 1.747 8.827 1.00 0.00 N ATOM 456 CA SER A 31 -2.236 0.726 9.539 1.00 0.00 C ATOM 457 C SER A 31 -2.684 -0.361 8.572 1.00 0.00 C ATOM 458 O SER A 31 -2.462 -1.550 8.798 1.00 0.00 O ATOM 459 CB SER A 31 -3.479 1.352 10.190 1.00 0.00 C ATOM 460 OG SER A 31 -4.077 0.464 11.120 1.00 0.00 O ATOM 0 H SER A 31 -1.885 2.680 8.879 1.00 0.00 H new ATOM 0 HA SER A 31 -1.596 0.293 10.308 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.201 2.277 10.695 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.203 1.615 9.418 1.00 0.00 H new ATOM 0 HG SER A 31 -4.864 0.890 11.519 1.00 0.00 H new ATOM 466 N LEU A 32 -3.300 0.077 7.487 1.00 0.00 N ATOM 467 CA LEU A 32 -3.895 -0.811 6.505 1.00 0.00 C ATOM 468 C LEU A 32 -2.864 -1.751 5.904 1.00 0.00 C ATOM 469 O LEU A 32 -3.028 -2.970 5.928 1.00 0.00 O ATOM 470 CB LEU A 32 -4.531 0.037 5.405 1.00 0.00 C ATOM 471 CG LEU A 32 -5.533 -0.675 4.510 1.00 0.00 C ATOM 472 CD1 LEU A 32 -4.868 -1.243 3.270 1.00 0.00 C ATOM 473 CD2 LEU A 32 -6.241 -1.775 5.281 1.00 0.00 C ATOM 0 H LEU A 32 -3.402 1.067 7.262 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.649 -1.426 6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.030 0.887 5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.735 0.439 4.778 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.269 0.060 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.615 -1.745 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.411 -0.434 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.100 -1.959 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.955 -2.276 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.508 -2.498 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.769 -1.342 6.131 1.00 0.00 H new ATOM 485 N PHE A 33 -1.816 -1.170 5.362 1.00 0.00 N ATOM 486 CA PHE A 33 -0.760 -1.935 4.709 1.00 0.00 C ATOM 487 C PHE A 33 -0.109 -2.912 5.683 1.00 0.00 C ATOM 488 O PHE A 33 0.114 -4.074 5.351 1.00 0.00 O ATOM 489 CB PHE A 33 0.293 -0.997 4.119 1.00 0.00 C ATOM 490 CG PHE A 33 -0.279 0.039 3.185 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.419 -0.230 2.438 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.321 1.285 3.056 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.943 0.721 1.586 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.200 2.235 2.203 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.332 1.954 1.467 1.00 0.00 C ATOM 0 H PHE A 33 -1.666 -0.161 5.358 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.212 -2.510 3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.815 -0.493 4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.035 -1.588 3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.900 -1.193 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.207 1.513 3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.831 0.501 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.278 3.199 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.740 2.697 0.798 1.00 0.00 H new ATOM 505 N SER A 34 0.166 -2.439 6.891 1.00 0.00 N ATOM 506 CA SER A 34 0.757 -3.274 7.926 1.00 0.00 C ATOM 507 C SER A 34 -0.205 -4.392 8.332 1.00 0.00 C ATOM 508 O SER A 34 0.220 -5.500 8.665 1.00 0.00 O ATOM 509 CB SER A 34 1.123 -2.412 9.132 1.00 0.00 C ATOM 510 OG SER A 34 1.652 -3.189 10.197 1.00 0.00 O ATOM 0 H SER A 34 -0.012 -1.477 7.178 1.00 0.00 H new ATOM 0 HA SER A 34 1.662 -3.738 7.534 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.854 -1.661 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.239 -1.877 9.478 1.00 0.00 H new ATOM 0 HG SER A 34 1.876 -2.603 10.950 1.00 0.00 H new ATOM 516 N ARG A 35 -1.499 -4.094 8.300 1.00 0.00 N ATOM 517 CA ARG A 35 -2.534 -5.087 8.568 1.00 0.00 C ATOM 518 C ARG A 35 -2.546 -6.166 7.494 1.00 0.00 C ATOM 519 O ARG A 35 -2.925 -7.310 7.746 1.00 0.00 O ATOM 520 CB ARG A 35 -3.902 -4.414 8.625 1.00 0.00 C ATOM 521 CG ARG A 35 -4.371 -4.090 10.029 1.00 0.00 C ATOM 522 CD ARG A 35 -5.604 -3.200 9.999 1.00 0.00 C ATOM 523 NE ARG A 35 -6.390 -3.293 11.230 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.637 -2.833 11.352 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.191 -2.131 10.370 1.00 0.00 N ATOM 526 NH2 ARG A 35 -8.318 -3.050 12.469 1.00 0.00 N ATOM 0 H ARG A 35 -1.859 -3.163 8.089 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.314 -5.553 9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.867 -3.493 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.636 -5.064 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.597 -5.013 10.563 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.572 -3.592 10.578 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.298 -2.165 9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.229 -3.478 9.150 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.960 -3.735 12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.663 -1.941 9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.144 -1.782 10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.889 -3.569 13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.271 -2.698 12.562 1.00 0.00 H new ATOM 540 N ALA A 36 -2.121 -5.795 6.295 1.00 0.00 N ATOM 541 CA ALA A 36 -2.136 -6.703 5.161 1.00 0.00 C ATOM 542 C ALA A 36 -0.808 -7.453 5.031 1.00 0.00 C ATOM 543 O ALA A 36 -0.556 -8.114 4.029 1.00 0.00 O ATOM 544 CB ALA A 36 -2.453 -5.936 3.883 1.00 0.00 C ATOM 0 H ALA A 36 -1.760 -4.865 6.083 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.916 -7.446 5.328 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.462 -6.625 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.430 -5.463 3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.694 -5.171 3.720 1.00 0.00 H new ATOM 550 N GLY A 37 0.044 -7.334 6.046 1.00 0.00 N ATOM 551 CA GLY A 37 1.295 -8.076 6.058 1.00 0.00 C ATOM 552 C GLY A 37 2.436 -7.321 5.410 1.00 0.00 C ATOM 553 O GLY A 37 3.598 -7.705 5.543 1.00 0.00 O ATOM 0 H GLY A 37 -0.108 -6.738 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.561 -8.312 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.154 -9.025 5.540 1.00 0.00 H new ATOM 557 N ILE A 38 2.107 -6.255 4.696 1.00 0.00 N ATOM 558 CA ILE A 38 3.098 -5.443 4.013 1.00 0.00 C ATOM 559 C ILE A 38 3.933 -4.643 5.007 1.00 0.00 C ATOM 560 O ILE A 38 3.426 -3.744 5.679 1.00 0.00 O ATOM 561 CB ILE A 38 2.411 -4.470 3.043 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.319 -5.201 2.267 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.429 -3.868 2.087 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.230 -4.292 1.768 1.00 0.00 C ATOM 0 H ILE A 38 1.148 -5.931 4.575 1.00 0.00 H new ATOM 0 HA ILE A 38 3.753 -6.117 3.461 1.00 0.00 H new ATOM 0 HB ILE A 38 1.958 -3.660 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.769 -5.716 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.879 -5.966 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.927 -3.181 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.186 -3.327 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.905 -4.664 1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.512 -4.877 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.246 -3.796 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.658 -3.543 1.102 1.00 0.00 H new ATOM 576 N SER A 39 5.208 -4.982 5.104 1.00 0.00 N ATOM 577 CA SER A 39 6.129 -4.259 5.962 1.00 0.00 C ATOM 578 C SER A 39 6.474 -2.905 5.346 1.00 0.00 C ATOM 579 O SER A 39 6.223 -2.680 4.160 1.00 0.00 O ATOM 580 CB SER A 39 7.398 -5.086 6.185 1.00 0.00 C ATOM 581 OG SER A 39 8.312 -4.423 7.044 1.00 0.00 O ATOM 0 H SER A 39 5.630 -5.759 4.595 1.00 0.00 H new ATOM 0 HA SER A 39 5.651 -4.087 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.132 -6.053 6.613 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.877 -5.283 5.226 1.00 0.00 H new ATOM 0 HG SER A 39 9.109 -4.980 7.166 1.00 0.00 H new ATOM 587 N GLU A 40 7.053 -2.014 6.134 1.00 0.00 N ATOM 588 CA GLU A 40 7.415 -0.689 5.647 1.00 0.00 C ATOM 589 C GLU A 40 8.397 -0.786 4.480 1.00 0.00 C ATOM 590 O GLU A 40 8.273 -0.069 3.487 1.00 0.00 O ATOM 591 CB GLU A 40 8.009 0.141 6.781 1.00 0.00 C ATOM 592 CG GLU A 40 7.032 0.375 7.920 1.00 0.00 C ATOM 593 CD GLU A 40 7.644 1.147 9.064 1.00 0.00 C ATOM 594 OE1 GLU A 40 7.823 2.373 8.930 1.00 0.00 O ATOM 595 OE2 GLU A 40 7.965 0.529 10.098 1.00 0.00 O ATOM 0 H GLU A 40 7.283 -2.182 7.113 1.00 0.00 H new ATOM 0 HA GLU A 40 6.513 -0.195 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.895 -0.363 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.336 1.103 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.165 0.918 7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.672 -0.586 8.287 1.00 0.00 H new ATOM 602 N ALA A 41 9.350 -1.702 4.590 1.00 0.00 N ATOM 603 CA ALA A 41 10.310 -1.934 3.518 1.00 0.00 C ATOM 604 C ALA A 41 9.603 -2.466 2.273 1.00 0.00 C ATOM 605 O ALA A 41 10.013 -2.208 1.140 1.00 0.00 O ATOM 606 CB ALA A 41 11.391 -2.903 3.976 1.00 0.00 C ATOM 0 H ALA A 41 9.479 -2.296 5.409 1.00 0.00 H new ATOM 0 HA ALA A 41 10.783 -0.985 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.101 -3.066 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.914 -2.485 4.836 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.934 -3.852 4.255 1.00 0.00 H new ATOM 612 N GLN A 42 8.516 -3.186 2.484 1.00 0.00 N ATOM 613 CA GLN A 42 7.769 -3.757 1.382 1.00 0.00 C ATOM 614 C GLN A 42 6.934 -2.676 0.704 1.00 0.00 C ATOM 615 O GLN A 42 6.576 -2.793 -0.464 1.00 0.00 O ATOM 616 CB GLN A 42 6.877 -4.895 1.870 1.00 0.00 C ATOM 617 CG GLN A 42 6.608 -5.934 0.801 1.00 0.00 C ATOM 618 CD GLN A 42 7.862 -6.694 0.420 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.621 -6.279 -0.455 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.086 -7.815 1.078 1.00 0.00 N ATOM 0 H GLN A 42 8.133 -3.388 3.407 1.00 0.00 H new ATOM 0 HA GLN A 42 8.473 -4.165 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.348 -5.377 2.727 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.929 -4.484 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.854 -6.635 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.197 -5.447 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.431 -8.124 1.797 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.914 -8.373 0.868 1.00 0.00 H new ATOM 629 N LEU A 43 6.643 -1.609 1.438 1.00 0.00 N ATOM 630 CA LEU A 43 5.938 -0.471 0.869 1.00 0.00 C ATOM 631 C LEU A 43 6.851 0.311 -0.061 1.00 0.00 C ATOM 632 O LEU A 43 6.386 1.088 -0.892 1.00 0.00 O ATOM 633 CB LEU A 43 5.402 0.451 1.963 1.00 0.00 C ATOM 634 CG LEU A 43 4.272 -0.133 2.804 1.00 0.00 C ATOM 635 CD1 LEU A 43 3.870 0.831 3.906 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.081 -0.449 1.921 1.00 0.00 C ATOM 0 H LEU A 43 6.884 -1.509 2.424 1.00 0.00 H new ATOM 0 HA LEU A 43 5.093 -0.857 0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.225 0.721 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.050 1.373 1.500 1.00 0.00 H new ATOM 0 HG LEU A 43 4.624 -1.054 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.062 0.395 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.727 1.023 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.532 1.768 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.278 -0.866 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.734 0.464 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.374 -1.173 1.161 1.00 0.00 H new ATOM 648 N THR A 44 8.151 0.105 0.086 1.00 0.00 N ATOM 649 CA THR A 44 9.114 0.742 -0.793 1.00 0.00 C ATOM 650 C THR A 44 9.534 -0.224 -1.900 1.00 0.00 C ATOM 651 O THR A 44 10.391 0.084 -2.725 1.00 0.00 O ATOM 652 CB THR A 44 10.352 1.248 -0.017 1.00 0.00 C ATOM 653 OG1 THR A 44 10.958 0.176 0.717 1.00 0.00 O ATOM 654 CG2 THR A 44 9.971 2.368 0.947 1.00 0.00 C ATOM 0 H THR A 44 8.560 -0.495 0.802 1.00 0.00 H new ATOM 0 HA THR A 44 8.633 1.611 -1.241 1.00 0.00 H new ATOM 0 HB THR A 44 11.064 1.635 -0.746 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.570 -0.677 0.430 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.859 2.707 1.481 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.545 3.200 0.387 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.237 1.998 1.663 1.00 0.00 H new ATOM 662 N ASP A 45 8.925 -1.411 -1.898 1.00 0.00 N ATOM 663 CA ASP A 45 9.157 -2.398 -2.949 1.00 0.00 C ATOM 664 C ASP A 45 8.499 -1.967 -4.252 1.00 0.00 C ATOM 665 O ASP A 45 7.373 -1.471 -4.238 1.00 0.00 O ATOM 666 CB ASP A 45 8.615 -3.765 -2.541 1.00 0.00 C ATOM 667 CG ASP A 45 8.869 -4.828 -3.590 1.00 0.00 C ATOM 668 OD1 ASP A 45 10.004 -5.337 -3.655 1.00 0.00 O ATOM 669 OD2 ASP A 45 7.927 -5.159 -4.344 1.00 0.00 O ATOM 0 H ASP A 45 8.267 -1.711 -1.179 1.00 0.00 H new ATOM 0 HA ASP A 45 10.234 -2.470 -3.098 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.076 -4.069 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.543 -3.688 -2.359 1.00 0.00 H new ATOM 674 N ALA A 46 9.192 -2.161 -5.363 1.00 0.00 N ATOM 675 CA ALA A 46 8.718 -1.683 -6.659 1.00 0.00 C ATOM 676 C ALA A 46 7.338 -2.241 -7.016 1.00 0.00 C ATOM 677 O ALA A 46 6.376 -1.480 -7.156 1.00 0.00 O ATOM 678 CB ALA A 46 9.724 -2.019 -7.749 1.00 0.00 C ATOM 0 H ALA A 46 10.088 -2.647 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 46 8.618 -0.600 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.356 -1.656 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.678 -1.543 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.860 -3.099 -7.798 1.00 0.00 H new ATOM 684 N GLU A 47 7.241 -3.561 -7.158 1.00 0.00 N ATOM 685 CA GLU A 47 5.990 -4.190 -7.570 1.00 0.00 C ATOM 686 C GLU A 47 4.942 -4.110 -6.470 1.00 0.00 C ATOM 687 O GLU A 47 3.777 -3.809 -6.741 1.00 0.00 O ATOM 688 CB GLU A 47 6.197 -5.653 -8.003 1.00 0.00 C ATOM 689 CG GLU A 47 6.927 -6.525 -6.990 1.00 0.00 C ATOM 690 CD GLU A 47 8.429 -6.544 -7.211 1.00 0.00 C ATOM 691 OE1 GLU A 47 9.048 -5.462 -7.285 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.998 -7.647 -7.347 1.00 0.00 O ATOM 0 H GLU A 47 8.009 -4.212 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 47 5.629 -3.633 -8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.223 -6.097 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.755 -5.664 -8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.716 -6.161 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.542 -7.543 -7.048 1.00 0.00 H new ATOM 699 N THR A 48 5.353 -4.376 -5.236 1.00 0.00 N ATOM 700 CA THR A 48 4.441 -4.334 -4.107 1.00 0.00 C ATOM 701 C THR A 48 3.713 -2.990 -4.009 1.00 0.00 C ATOM 702 O THR A 48 2.482 -2.946 -4.025 1.00 0.00 O ATOM 703 CB THR A 48 5.183 -4.622 -2.788 1.00 0.00 C ATOM 704 OG1 THR A 48 5.893 -5.862 -2.898 1.00 0.00 O ATOM 705 CG2 THR A 48 4.205 -4.692 -1.626 1.00 0.00 C ATOM 0 H THR A 48 6.313 -4.623 -4.995 1.00 0.00 H new ATOM 0 HA THR A 48 3.696 -5.111 -4.275 1.00 0.00 H new ATOM 0 HB THR A 48 5.887 -3.812 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.588 -5.781 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.749 -4.896 -0.704 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.680 -3.741 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.483 -5.489 -1.805 1.00 0.00 H new ATOM 713 N SER A 49 4.465 -1.895 -3.946 1.00 0.00 N ATOM 714 CA SER A 49 3.870 -0.578 -3.743 1.00 0.00 C ATOM 715 C SER A 49 3.016 -0.167 -4.940 1.00 0.00 C ATOM 716 O SER A 49 1.923 0.379 -4.775 1.00 0.00 O ATOM 717 CB SER A 49 4.957 0.463 -3.499 1.00 0.00 C ATOM 718 OG SER A 49 5.802 0.593 -4.628 1.00 0.00 O ATOM 0 H SER A 49 5.481 -1.893 -4.032 1.00 0.00 H new ATOM 0 HA SER A 49 3.225 -0.635 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.499 1.425 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.549 0.178 -2.629 1.00 0.00 H new ATOM 0 HG SER A 49 6.370 -0.202 -4.705 1.00 0.00 H new ATOM 724 N LYS A 50 3.521 -0.440 -6.139 1.00 0.00 N ATOM 725 CA LYS A 50 2.826 -0.083 -7.370 1.00 0.00 C ATOM 726 C LYS A 50 1.433 -0.699 -7.400 1.00 0.00 C ATOM 727 O LYS A 50 0.454 -0.039 -7.748 1.00 0.00 O ATOM 728 CB LYS A 50 3.629 -0.554 -8.587 1.00 0.00 C ATOM 729 CG LYS A 50 2.983 -0.207 -9.920 1.00 0.00 C ATOM 730 CD LYS A 50 3.747 -0.816 -11.085 1.00 0.00 C ATOM 731 CE LYS A 50 3.060 -0.532 -12.410 1.00 0.00 C ATOM 732 NZ LYS A 50 3.756 -1.187 -13.548 1.00 0.00 N ATOM 0 H LYS A 50 4.414 -0.910 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 50 2.728 1.002 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.623 -0.109 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.761 -1.634 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.954 -0.566 -9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.944 0.876 -10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.760 -0.415 -11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.833 -1.893 -10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.028 -0.881 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.025 0.545 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.256 -0.968 -14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.733 -0.835 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.767 -2.217 -13.402 1.00 0.00 H new ATOM 746 N LEU A 51 1.348 -1.959 -7.005 1.00 0.00 N ATOM 747 CA LEU A 51 0.090 -2.679 -7.052 1.00 0.00 C ATOM 748 C LEU A 51 -0.781 -2.346 -5.850 1.00 0.00 C ATOM 749 O LEU A 51 -2.002 -2.476 -5.916 1.00 0.00 O ATOM 750 CB LEU A 51 0.348 -4.174 -7.163 1.00 0.00 C ATOM 751 CG LEU A 51 1.077 -4.581 -8.444 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.496 -6.030 -8.378 1.00 0.00 C ATOM 753 CD2 LEU A 51 0.189 -4.335 -9.657 1.00 0.00 C ATOM 0 H LEU A 51 2.135 -2.502 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.459 -2.363 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.936 -4.497 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.604 -4.702 -7.114 1.00 0.00 H new ATOM 0 HG LEU A 51 1.975 -3.970 -8.542 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.013 -6.301 -9.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.164 -6.177 -7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.614 -6.659 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.720 -4.629 -10.562 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.724 -4.923 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.065 -3.277 -9.713 1.00 0.00 H new ATOM 765 N ILE A 52 -0.167 -1.927 -4.745 1.00 0.00 N ATOM 766 CA ILE A 52 -0.931 -1.353 -3.649 1.00 0.00 C ATOM 767 C ILE A 52 -1.619 -0.070 -4.097 1.00 0.00 C ATOM 768 O ILE A 52 -2.794 0.144 -3.818 1.00 0.00 O ATOM 769 CB ILE A 52 -0.055 -1.045 -2.426 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.446 -2.343 -1.801 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.839 -0.215 -1.422 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.255 -2.135 -0.547 1.00 0.00 C ATOM 0 H ILE A 52 0.840 -1.974 -4.589 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.672 -2.098 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 52 0.813 -0.466 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.409 -2.979 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.054 -2.877 -2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.211 -0.001 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.148 0.721 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.721 -0.770 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.578 -3.101 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.129 -1.525 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.644 -1.629 0.200 1.00 0.00 H new ATOM 784 N TYR A 53 -0.883 0.780 -4.792 1.00 0.00 N ATOM 785 CA TYR A 53 -1.449 2.009 -5.326 1.00 0.00 C ATOM 786 C TYR A 53 -2.583 1.690 -6.298 1.00 0.00 C ATOM 787 O TYR A 53 -3.656 2.294 -6.239 1.00 0.00 O ATOM 788 CB TYR A 53 -0.369 2.845 -6.009 1.00 0.00 C ATOM 789 CG TYR A 53 -0.933 3.940 -6.876 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.696 4.952 -6.320 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.677 3.975 -8.240 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.203 5.968 -7.098 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.176 4.995 -9.027 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.002 5.920 -8.493 1.00 0.00 C ATOM 795 OH TYR A 53 -2.433 7.014 -9.220 1.00 0.00 O ATOM 0 H TYR A 53 0.106 0.643 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.857 2.592 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.276 3.287 -5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.257 2.193 -6.618 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.897 4.944 -5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.081 3.196 -8.691 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.745 6.787 -6.648 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.905 5.053 -10.071 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.242 6.871 -10.170 1.00 0.00 H new ATOM 805 N ASP A 54 -2.333 0.734 -7.182 1.00 0.00 N ATOM 806 CA ASP A 54 -3.357 0.239 -8.099 1.00 0.00 C ATOM 807 C ASP A 54 -4.563 -0.280 -7.319 1.00 0.00 C ATOM 808 O ASP A 54 -5.708 -0.081 -7.714 1.00 0.00 O ATOM 809 CB ASP A 54 -2.768 -0.871 -8.976 1.00 0.00 C ATOM 810 CG ASP A 54 -3.812 -1.583 -9.810 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.191 -1.047 -10.870 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.267 -2.675 -9.405 1.00 0.00 O ATOM 0 H ASP A 54 -1.425 0.282 -7.286 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.690 1.057 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.014 -0.443 -9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.261 -1.597 -8.341 1.00 0.00 H new ATOM 817 N PHE A 55 -4.280 -0.930 -6.199 1.00 0.00 N ATOM 818 CA PHE A 55 -5.306 -1.421 -5.286 1.00 0.00 C ATOM 819 C PHE A 55 -6.176 -0.285 -4.767 1.00 0.00 C ATOM 820 O PHE A 55 -7.402 -0.385 -4.743 1.00 0.00 O ATOM 821 CB PHE A 55 -4.635 -2.131 -4.110 1.00 0.00 C ATOM 822 CG PHE A 55 -5.540 -2.381 -2.943 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.438 -3.426 -2.975 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.489 -1.573 -1.811 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.265 -3.672 -1.907 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.321 -1.819 -0.738 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.212 -2.871 -0.790 1.00 0.00 C ATOM 0 H PHE A 55 -3.328 -1.133 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.947 -2.115 -5.830 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.236 -3.084 -4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.787 -1.533 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.492 -4.058 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.793 -0.748 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.960 -4.498 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.275 -1.190 0.139 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.868 -3.066 0.046 1.00 0.00 H new ATOM 837 N ILE A 56 -5.529 0.784 -4.340 1.00 0.00 N ATOM 838 CA ILE A 56 -6.222 1.926 -3.779 1.00 0.00 C ATOM 839 C ILE A 56 -7.108 2.581 -4.835 1.00 0.00 C ATOM 840 O ILE A 56 -8.235 2.991 -4.553 1.00 0.00 O ATOM 841 CB ILE A 56 -5.212 2.935 -3.198 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.389 2.243 -2.109 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.921 4.157 -2.634 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.285 3.094 -1.536 1.00 0.00 C ATOM 0 H ILE A 56 -4.514 0.884 -4.372 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.862 1.584 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.552 3.278 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.056 1.941 -1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.954 1.332 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.184 4.852 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.487 4.647 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.601 3.849 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.750 2.530 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.593 3.375 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.712 3.993 -1.092 1.00 0.00 H new ATOM 856 N GLU A 57 -6.602 2.643 -6.061 1.00 0.00 N ATOM 857 CA GLU A 57 -7.382 3.153 -7.183 1.00 0.00 C ATOM 858 C GLU A 57 -8.552 2.215 -7.484 1.00 0.00 C ATOM 859 O GLU A 57 -9.649 2.662 -7.825 1.00 0.00 O ATOM 860 CB GLU A 57 -6.499 3.300 -8.425 1.00 0.00 C ATOM 861 CG GLU A 57 -7.218 3.925 -9.610 1.00 0.00 C ATOM 862 CD GLU A 57 -6.327 4.075 -10.821 1.00 0.00 C ATOM 863 OE1 GLU A 57 -6.144 3.084 -11.557 1.00 0.00 O ATOM 864 OE2 GLU A 57 -5.792 5.182 -11.039 1.00 0.00 O ATOM 0 H GLU A 57 -5.657 2.347 -6.304 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.774 4.134 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.631 3.910 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.125 2.318 -8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.079 3.311 -9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.600 4.904 -9.322 1.00 0.00 H new ATOM 871 N ASP A 58 -8.302 0.915 -7.340 1.00 0.00 N ATOM 872 CA ASP A 58 -9.315 -0.123 -7.558 1.00 0.00 C ATOM 873 C ASP A 58 -10.521 0.076 -6.642 1.00 0.00 C ATOM 874 O ASP A 58 -11.659 -0.208 -7.020 1.00 0.00 O ATOM 875 CB ASP A 58 -8.688 -1.505 -7.319 1.00 0.00 C ATOM 876 CG ASP A 58 -9.692 -2.644 -7.326 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.199 -2.992 -8.414 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.950 -3.223 -6.249 1.00 0.00 O ATOM 0 H ASP A 58 -7.390 0.548 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.667 -0.053 -8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.937 -1.690 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.169 -1.497 -6.361 1.00 0.00 H new ATOM 883 N GLN A 59 -10.262 0.584 -5.445 1.00 0.00 N ATOM 884 CA GLN A 59 -11.315 0.814 -4.460 1.00 0.00 C ATOM 885 C GLN A 59 -12.092 2.089 -4.765 1.00 0.00 C ATOM 886 O GLN A 59 -13.221 2.265 -4.307 1.00 0.00 O ATOM 887 CB GLN A 59 -10.709 0.900 -3.059 1.00 0.00 C ATOM 888 CG GLN A 59 -10.003 -0.375 -2.640 1.00 0.00 C ATOM 889 CD GLN A 59 -10.945 -1.557 -2.579 1.00 0.00 C ATOM 890 OE1 GLN A 59 -10.455 -2.723 -2.949 1.00 0.00 O flip ATOM 891 NE2 GLN A 59 -12.117 -1.417 -2.237 1.00 0.00 N flip ATOM 0 H GLN A 59 -9.328 0.846 -5.130 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.009 -0.025 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.002 1.729 -3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.498 1.125 -2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.198 -0.590 -3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.543 -0.229 -1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.460 -0.498 -1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.747 -2.220 -2.233 1.00 0.00 H new ATOM 900 N GLY A 60 -11.492 2.970 -5.550 1.00 0.00 N ATOM 901 CA GLY A 60 -12.116 4.242 -5.840 1.00 0.00 C ATOM 902 C GLY A 60 -11.295 5.404 -5.330 1.00 0.00 C ATOM 903 O GLY A 60 -11.740 6.552 -5.351 1.00 0.00 O ATOM 0 H GLY A 60 -10.584 2.826 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.255 4.341 -6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.107 4.272 -5.387 1.00 0.00 H new ATOM 907 N GLY A 61 -10.092 5.109 -4.863 1.00 0.00 N ATOM 908 CA GLY A 61 -9.205 6.150 -4.411 1.00 0.00 C ATOM 909 C GLY A 61 -8.887 6.038 -2.937 1.00 0.00 C ATOM 910 O GLY A 61 -9.242 5.052 -2.289 1.00 0.00 O ATOM 0 H GLY A 61 -9.717 4.163 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.279 6.108 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.659 7.121 -4.609 1.00 0.00 H new ATOM 914 N LEU A 62 -8.245 7.066 -2.404 1.00 0.00 N ATOM 915 CA LEU A 62 -7.752 7.043 -1.034 1.00 0.00 C ATOM 916 C LEU A 62 -8.893 7.131 -0.026 1.00 0.00 C ATOM 917 O LEU A 62 -8.831 6.528 1.047 1.00 0.00 O ATOM 918 CB LEU A 62 -6.764 8.192 -0.805 1.00 0.00 C ATOM 919 CG LEU A 62 -5.361 7.993 -1.395 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.403 7.856 -2.909 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.460 9.146 -1.005 1.00 0.00 C ATOM 0 H LEU A 62 -8.052 7.934 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.241 6.092 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.190 9.102 -1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.667 8.354 0.268 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.960 7.066 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.391 7.717 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.014 6.995 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.834 8.758 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.468 8.992 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.877 10.078 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.385 9.198 0.081 1.00 0.00 H new ATOM 933 N GLU A 63 -9.940 7.863 -0.383 1.00 0.00 N ATOM 934 CA GLU A 63 -11.068 8.072 0.516 1.00 0.00 C ATOM 935 C GLU A 63 -11.861 6.786 0.689 1.00 0.00 C ATOM 936 O GLU A 63 -12.462 6.551 1.735 1.00 0.00 O ATOM 937 CB GLU A 63 -11.973 9.183 -0.018 1.00 0.00 C ATOM 938 CG GLU A 63 -11.264 10.519 -0.173 1.00 0.00 C ATOM 939 CD GLU A 63 -10.914 11.158 1.157 1.00 0.00 C ATOM 940 OE1 GLU A 63 -10.252 10.496 1.979 1.00 0.00 O ATOM 941 OE2 GLU A 63 -11.310 12.314 1.396 1.00 0.00 O ATOM 0 H GLU A 63 -10.032 8.322 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.680 8.372 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.376 8.880 -0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.821 9.306 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.352 10.376 -0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.900 11.198 -0.741 1.00 0.00 H new ATOM 948 N ALA A 64 -11.837 5.947 -0.338 1.00 0.00 N ATOM 949 CA ALA A 64 -12.546 4.679 -0.304 1.00 0.00 C ATOM 950 C ALA A 64 -11.901 3.726 0.692 1.00 0.00 C ATOM 951 O ALA A 64 -12.572 3.183 1.565 1.00 0.00 O ATOM 952 CB ALA A 64 -12.583 4.059 -1.690 1.00 0.00 C ATOM 0 H ALA A 64 -11.332 6.124 -1.206 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.570 4.866 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.117 3.110 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.094 4.734 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.565 3.888 -2.039 1.00 0.00 H new ATOM 958 N VAL A 65 -10.586 3.554 0.572 1.00 0.00 N ATOM 959 CA VAL A 65 -9.840 2.666 1.463 1.00 0.00 C ATOM 960 C VAL A 65 -9.988 3.119 2.915 1.00 0.00 C ATOM 961 O VAL A 65 -10.094 2.299 3.829 1.00 0.00 O ATOM 962 CB VAL A 65 -8.342 2.620 1.086 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.592 1.627 1.964 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.172 2.264 -0.382 1.00 0.00 C ATOM 0 H VAL A 65 -10.014 4.018 -0.134 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.255 1.664 1.352 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.920 3.611 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.540 1.612 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.682 1.925 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.017 0.632 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.111 2.236 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.615 1.286 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.669 3.014 -0.998 1.00 0.00 H new ATOM 974 N ARG A 66 -10.017 4.435 3.107 1.00 0.00 N ATOM 975 CA ARG A 66 -10.228 5.028 4.424 1.00 0.00 C ATOM 976 C ARG A 66 -11.558 4.576 5.028 1.00 0.00 C ATOM 977 O ARG A 66 -11.690 4.457 6.247 1.00 0.00 O ATOM 978 CB ARG A 66 -10.203 6.554 4.326 1.00 0.00 C ATOM 979 CG ARG A 66 -8.809 7.161 4.316 1.00 0.00 C ATOM 980 CD ARG A 66 -8.873 8.652 4.024 1.00 0.00 C ATOM 981 NE ARG A 66 -7.721 9.378 4.550 1.00 0.00 N ATOM 982 CZ ARG A 66 -7.554 10.696 4.436 1.00 0.00 C ATOM 983 NH1 ARG A 66 -8.397 11.418 3.706 1.00 0.00 N ATOM 984 NH2 ARG A 66 -6.528 11.287 5.035 1.00 0.00 N ATOM 0 H ARG A 66 -9.896 5.117 2.358 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.421 4.691 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.724 6.856 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.760 6.969 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.328 6.995 5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.196 6.664 3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.933 8.805 2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.785 9.064 4.456 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.999 8.844 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.176 10.964 3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.265 12.426 3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.869 10.733 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.399 12.295 4.949 1.00 0.00 H new ATOM 998 N GLN A 67 -12.541 4.322 4.170 1.00 0.00 N ATOM 999 CA GLN A 67 -13.869 3.931 4.626 1.00 0.00 C ATOM 1000 C GLN A 67 -13.968 2.424 4.828 1.00 0.00 C ATOM 1001 O GLN A 67 -14.726 1.957 5.683 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.937 4.407 3.644 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.028 5.921 3.541 1.00 0.00 C ATOM 1004 CD GLN A 67 -16.065 6.388 2.537 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -17.112 5.603 2.357 1.00 0.00 O flip ATOM 1006 NE2 GLN A 67 -15.922 7.447 1.927 1.00 0.00 N flip ATOM 0 H GLN A 67 -12.443 4.380 3.156 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.041 4.410 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.723 3.995 2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.905 4.012 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -15.269 6.332 4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.053 6.319 3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.099 8.025 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -16.627 7.747 1.254 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.191 1.662 4.062 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.204 0.204 4.173 1.00 0.00 C ATOM 1017 C GLU A 68 -12.718 -0.237 5.551 1.00 0.00 C ATOM 1018 O GLU A 68 -13.008 -1.346 5.992 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.323 -0.450 3.116 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.501 0.083 1.713 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.924 -0.041 1.202 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -14.294 -1.119 0.689 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.686 0.943 1.322 1.00 0.00 O ATOM 0 H GLU A 68 -12.547 2.027 3.360 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.236 -0.114 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.280 -0.324 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.525 -1.521 3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.203 1.131 1.689 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.832 -0.454 1.040 1.00 0.00 H new ATOM 1030 N MET A 69 -11.984 0.648 6.227 1.00 0.00 N ATOM 1031 CA MET A 69 -11.476 0.388 7.578 1.00 0.00 C ATOM 1032 C MET A 69 -12.600 0.015 8.540 1.00 0.00 C ATOM 1033 O MET A 69 -12.359 -0.549 9.605 1.00 0.00 O ATOM 1034 CB MET A 69 -10.742 1.620 8.111 1.00 0.00 C ATOM 1035 CG MET A 69 -9.292 1.727 7.667 1.00 0.00 C ATOM 1036 SD MET A 69 -8.217 0.545 8.509 1.00 0.00 S ATOM 1037 CE MET A 69 -6.604 1.160 8.026 1.00 0.00 C ATOM 0 H MET A 69 -11.725 1.562 5.857 1.00 0.00 H new ATOM 0 HA MET A 69 -10.787 -0.454 7.512 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.275 2.514 7.788 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.776 1.605 9.200 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.233 1.564 6.591 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.932 2.738 7.856 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.889 0.337 8.015 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.666 1.600 7.031 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.275 1.917 8.738 1.00 0.00 H new ATOM 1047 N ARG A 70 -13.825 0.365 8.179 1.00 0.00 N ATOM 1048 CA ARG A 70 -14.986 -0.011 8.957 1.00 0.00 C ATOM 1049 C ARG A 70 -16.102 -0.500 8.037 1.00 0.00 C ATOM 1050 O ARG A 70 -17.278 -0.503 8.403 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.433 1.184 9.793 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.932 2.370 8.981 1.00 0.00 C ATOM 1053 CD ARG A 70 -15.612 3.685 9.674 1.00 0.00 C ATOM 1054 NE ARG A 70 -16.009 3.683 11.082 1.00 0.00 N ATOM 1055 CZ ARG A 70 -15.426 4.423 12.024 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -14.418 5.232 11.716 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -15.854 4.350 13.276 1.00 0.00 N ATOM 0 H ARG A 70 -14.037 0.913 7.345 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.734 -0.831 9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.226 0.863 10.468 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.598 1.510 10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -15.473 2.356 7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -17.009 2.286 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.542 3.880 9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.121 4.499 9.157 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.781 3.077 11.360 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.086 5.289 10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.976 5.796 12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.627 3.729 13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.410 4.915 14.000 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.295 -3.912 4.878 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.840 -3.800 3.490 1.00 0.00 C ATOM 1205 C VAL B 79 -8.456 -4.442 3.309 1.00 0.00 C ATOM 1206 O VAL B 79 -8.051 -4.780 2.194 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.848 -2.319 3.014 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.190 -1.402 4.023 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.196 -2.149 1.654 1.00 0.00 C ATOM 0 HA VAL B 79 -10.542 -4.349 2.862 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.897 -2.036 2.922 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.216 -0.377 3.654 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -9.725 -1.460 4.971 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.155 -1.708 4.172 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -9.226 -1.098 1.365 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.159 -2.482 1.703 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.734 -2.744 0.916 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.763 -4.665 4.423 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.470 -5.344 4.413 1.00 0.00 C ATOM 1221 C ALA B 80 -6.565 -6.700 3.717 1.00 0.00 C ATOM 1222 O ALA B 80 -5.610 -7.164 3.095 1.00 0.00 O ATOM 1223 CB ALA B 80 -5.967 -5.521 5.834 1.00 0.00 C ATOM 0 H ALA B 80 -8.079 -4.383 5.351 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.765 -4.727 3.856 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.002 -6.028 5.818 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -5.856 -4.544 6.305 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.681 -6.118 6.401 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.737 -7.316 3.801 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.962 -8.626 3.207 1.00 0.00 C ATOM 1231 C GLN B 81 -7.994 -8.528 1.688 1.00 0.00 C ATOM 1232 O GLN B 81 -7.519 -9.419 0.983 1.00 0.00 O ATOM 1233 CB GLN B 81 -9.291 -9.201 3.706 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.506 -8.491 3.124 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.815 -9.003 3.664 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -12.374 -9.965 3.144 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -12.326 -8.345 4.689 1.00 0.00 N ATOM 0 H GLN B 81 -8.550 -6.926 4.278 1.00 0.00 H new ATOM 0 HA GLN B 81 -7.143 -9.283 3.501 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.340 -10.260 3.452 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.324 -9.133 4.793 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.428 -7.424 3.333 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.499 -8.605 2.040 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -11.824 -7.551 5.087 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -13.223 -8.630 5.082 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.550 -7.434 1.200 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.734 -7.223 -0.213 1.00 0.00 C ATOM 1248 C ARG B 82 -7.402 -6.860 -0.851 1.00 0.00 C ATOM 1249 O ARG B 82 -7.192 -7.041 -2.051 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.792 -6.133 -0.402 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.824 -5.525 -1.779 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.323 -6.485 -2.841 1.00 0.00 C ATOM 1253 NE ARG B 82 -10.327 -5.858 -4.163 1.00 0.00 N ATOM 1254 CZ ARG B 82 -10.330 -6.526 -5.313 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -10.346 -7.854 -5.320 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -10.314 -5.857 -6.459 1.00 0.00 N ATOM 0 H ARG B 82 -8.886 -6.666 1.781 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.086 -8.129 -0.706 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.773 -6.555 -0.182 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.614 -5.342 0.327 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.464 -4.643 -1.765 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.822 -5.188 -2.044 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.690 -7.372 -2.859 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.331 -6.817 -2.590 1.00 0.00 H new ATOM 0 HE ARG B 82 -10.328 -4.839 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -10.356 -8.369 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -10.348 -8.359 -6.206 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -10.299 -4.837 -6.454 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -10.316 -6.363 -7.345 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.485 -6.394 -0.019 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.173 -6.000 -0.482 1.00 0.00 C ATOM 1272 C LEU B 83 -4.267 -7.219 -0.625 1.00 0.00 C ATOM 1273 O LEU B 83 -3.545 -7.343 -1.614 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.566 -4.968 0.471 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.171 -4.463 0.095 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.088 -4.096 -1.377 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.799 -3.263 0.946 1.00 0.00 C ATOM 0 H LEU B 83 -6.630 -6.281 0.984 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.269 -5.540 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.239 -4.113 0.529 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -4.518 -5.404 1.469 1.00 0.00 H new ATOM 0 HG LEU B 83 -2.466 -5.273 0.282 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.083 -3.742 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.311 -4.973 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -3.810 -3.309 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -1.804 -2.914 0.668 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -3.522 -2.464 0.784 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -2.803 -3.548 1.998 1.00 0.00 H new ATOM 1289 N MET B 84 -4.332 -8.134 0.341 1.00 0.00 N ATOM 1290 CA MET B 84 -3.509 -9.340 0.293 1.00 0.00 C ATOM 1291 C MET B 84 -3.840 -10.168 -0.942 1.00 0.00 C ATOM 1292 O MET B 84 -2.949 -10.702 -1.605 1.00 0.00 O ATOM 1293 CB MET B 84 -3.703 -10.176 1.556 1.00 0.00 C ATOM 1294 CG MET B 84 -3.134 -9.529 2.806 1.00 0.00 C ATOM 1295 SD MET B 84 -3.481 -10.480 4.296 1.00 0.00 S ATOM 1296 CE MET B 84 -5.269 -10.487 4.257 1.00 0.00 C ATOM 0 H MET B 84 -4.939 -8.065 1.158 1.00 0.00 H new ATOM 0 HA MET B 84 -2.464 -9.034 0.236 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.768 -10.356 1.703 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.232 -11.149 1.414 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.056 -9.416 2.694 1.00 0.00 H new ATOM 0 HG3 MET B 84 -3.550 -8.527 2.914 1.00 0.00 H new ATOM 0 HE1 MET B 84 -5.651 -10.977 5.153 1.00 0.00 H new ATOM 0 HE2 MET B 84 -5.636 -9.461 4.220 1.00 0.00 H new ATOM 0 HE3 MET B 84 -5.612 -11.027 3.374 1.00 0.00 H new ATOM 1306 N GLN B 85 -5.127 -10.251 -1.259 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.577 -10.982 -2.437 1.00 0.00 C ATOM 1308 C GLN B 85 -5.083 -10.305 -3.708 1.00 0.00 C ATOM 1309 O GLN B 85 -4.606 -10.964 -4.629 1.00 0.00 O ATOM 1310 CB GLN B 85 -7.106 -11.072 -2.461 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.687 -11.839 -1.288 1.00 0.00 C ATOM 1312 CD GLN B 85 -7.234 -13.283 -1.254 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -6.207 -13.606 -0.657 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -7.988 -14.159 -1.895 1.00 0.00 N ATOM 0 H GLN B 85 -5.877 -9.821 -0.717 1.00 0.00 H new ATOM 0 HA GLN B 85 -5.163 -11.989 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.521 -10.064 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -7.419 -11.551 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.396 -11.349 -0.359 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.775 -11.805 -1.340 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -8.832 -13.849 -2.377 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -7.726 -15.145 -1.907 1.00 0.00 H new ATOM 1323 N HIS B 86 -5.176 -8.982 -3.732 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.837 -8.199 -4.916 1.00 0.00 C ATOM 1325 C HIS B 86 -3.344 -8.284 -5.230 1.00 0.00 C ATOM 1326 O HIS B 86 -2.941 -8.248 -6.393 1.00 0.00 O ATOM 1327 CB HIS B 86 -5.257 -6.744 -4.702 1.00 0.00 C ATOM 1328 CG HIS B 86 -5.146 -5.892 -5.928 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -5.926 -6.081 -7.049 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.347 -4.831 -6.204 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.616 -5.177 -7.956 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.664 -4.407 -7.469 1.00 0.00 N ATOM 0 H HIS B 86 -5.486 -8.423 -2.937 1.00 0.00 H new ATOM 0 HA HIS B 86 -5.375 -8.610 -5.770 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -6.288 -6.722 -4.349 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.641 -6.311 -3.914 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.602 -4.401 -5.551 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.066 -5.083 -8.933 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.232 -3.621 -7.955 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.528 -8.391 -4.194 1.00 0.00 N ATOM 1342 CA LEU B 87 -1.085 -8.491 -4.368 1.00 0.00 C ATOM 1343 C LEU B 87 -0.690 -9.901 -4.797 1.00 0.00 C ATOM 1344 O LEU B 87 0.178 -10.086 -5.657 1.00 0.00 O ATOM 1345 CB LEU B 87 -0.377 -8.112 -3.069 1.00 0.00 C ATOM 1346 CG LEU B 87 -0.646 -6.686 -2.586 1.00 0.00 C ATOM 1347 CD1 LEU B 87 -0.021 -6.466 -1.221 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.110 -5.674 -3.585 1.00 0.00 C ATOM 0 H LEU B 87 -2.839 -8.411 -3.223 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.780 -7.799 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.682 -8.809 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU B 87 0.697 -8.238 -3.207 1.00 0.00 H new ATOM 0 HG LEU B 87 -1.724 -6.547 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -0.220 -5.447 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -0.449 -7.170 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU B 87 1.056 -6.623 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.311 -4.665 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU B 87 0.965 -5.811 -3.700 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.600 -5.819 -4.548 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.353 -10.890 -4.212 1.00 0.00 N ATOM 1361 CA ALA B 88 -1.098 -12.294 -4.534 1.00 0.00 C ATOM 1362 C ALA B 88 -1.409 -12.604 -5.999 1.00 0.00 C ATOM 1363 O ALA B 88 -1.014 -13.645 -6.524 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.911 -13.197 -3.621 1.00 0.00 C ATOM 0 H ALA B 88 -2.076 -10.748 -3.507 1.00 0.00 H new ATOM 0 HA ALA B 88 -0.037 -12.484 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.713 -14.240 -3.870 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.631 -13.012 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.972 -12.988 -3.753 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.113 -11.692 -6.656 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.477 -11.857 -8.055 1.00 0.00 C ATOM 1372 C GLU B 89 -1.281 -11.664 -8.988 1.00 0.00 C ATOM 1373 O GLU B 89 -1.320 -12.094 -10.139 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.571 -10.867 -8.437 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.888 -11.093 -7.716 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.589 -12.357 -8.169 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -6.259 -12.315 -9.222 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.479 -13.393 -7.477 1.00 0.00 O ATOM 0 H GLU B 89 -2.445 -10.823 -6.237 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.838 -12.879 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.222 -9.856 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.742 -10.927 -9.512 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.706 -11.147 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -5.542 -10.238 -7.885 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.220 -11.022 -8.504 1.00 0.00 N ATOM 1386 CA HIS B 90 0.897 -10.672 -9.385 1.00 0.00 C ATOM 1387 C HIS B 90 2.248 -11.178 -8.873 1.00 0.00 C ATOM 1388 O HIS B 90 3.184 -11.343 -9.656 1.00 0.00 O ATOM 1389 CB HIS B 90 0.973 -9.161 -9.597 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.249 -8.564 -10.228 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -0.501 -8.606 -11.578 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.286 -7.890 -9.678 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -1.634 -7.980 -11.834 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.133 -7.533 -10.696 1.00 0.00 N ATOM 0 H HIS B 90 -0.108 -10.738 -7.531 1.00 0.00 H new ATOM 0 HA HIS B 90 0.695 -11.171 -10.333 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.143 -8.679 -8.634 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.837 -8.937 -10.223 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.422 -7.673 -8.629 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -2.079 -7.854 -12.810 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.002 -7.010 -10.592 1.00 0.00 H new ATOM 1403 N GLY B 91 2.362 -11.398 -7.569 1.00 0.00 N ATOM 1404 CA GLY B 91 3.595 -11.952 -7.025 1.00 0.00 C ATOM 1405 C GLY B 91 4.412 -10.947 -6.234 1.00 0.00 C ATOM 1406 O GLY B 91 5.616 -10.807 -6.447 1.00 0.00 O ATOM 0 H GLY B 91 1.633 -11.206 -6.882 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.351 -12.797 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.202 -12.339 -7.843 1.00 0.00 H new ATOM 1410 N ILE B 92 3.754 -10.234 -5.333 1.00 0.00 N ATOM 1411 CA ILE B 92 4.427 -9.340 -4.401 1.00 0.00 C ATOM 1412 C ILE B 92 5.336 -10.123 -3.460 1.00 0.00 C ATOM 1413 O ILE B 92 5.032 -11.263 -3.096 1.00 0.00 O ATOM 1414 CB ILE B 92 3.378 -8.544 -3.587 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.937 -7.322 -4.384 1.00 0.00 C ATOM 1416 CG2 ILE B 92 3.894 -8.136 -2.211 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.124 -7.650 -5.610 1.00 0.00 C ATOM 0 H ILE B 92 2.740 -10.258 -5.227 1.00 0.00 H new ATOM 0 HA ILE B 92 5.043 -8.645 -4.971 1.00 0.00 H new ATOM 0 HB ILE B 92 2.523 -9.197 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.351 -6.670 -3.736 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.821 -6.760 -4.686 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.120 -7.581 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.155 -9.028 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.777 -7.508 -2.325 1.00 0.00 H new ATOM 0 HD11 ILE B 92 1.849 -6.728 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.713 -8.275 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.221 -8.184 -5.315 1.00 0.00 H new ATOM 1429 N GLN B 93 6.457 -9.515 -3.087 1.00 0.00 N ATOM 1430 CA GLN B 93 7.382 -10.138 -2.152 1.00 0.00 C ATOM 1431 C GLN B 93 6.735 -10.272 -0.773 1.00 0.00 C ATOM 1432 O GLN B 93 6.193 -9.306 -0.237 1.00 0.00 O ATOM 1433 CB GLN B 93 8.669 -9.318 -2.040 1.00 0.00 C ATOM 1434 CG GLN B 93 9.484 -9.252 -3.323 1.00 0.00 C ATOM 1435 CD GLN B 93 10.001 -10.609 -3.759 1.00 0.00 C ATOM 1436 OE1 GLN B 93 11.073 -11.046 -3.332 1.00 0.00 O ATOM 1437 NE2 GLN B 93 9.256 -11.280 -4.620 1.00 0.00 N ATOM 0 H GLN B 93 6.745 -8.594 -3.418 1.00 0.00 H new ATOM 0 HA GLN B 93 7.629 -11.131 -2.529 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.414 -8.304 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.289 -9.743 -1.251 1.00 0.00 H new ATOM 0 HG2 GLN B 93 8.869 -8.830 -4.118 1.00 0.00 H new ATOM 0 HG3 GLN B 93 10.327 -8.576 -3.179 1.00 0.00 H new ATOM 0 HE21 GLN B 93 8.375 -10.884 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN B 93 9.561 -12.194 -4.955 1.00 0.00 H new