USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 MET CE :methyl -109:sc= -2.7 (180deg=-5.25!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.18 K(o=1.2,f=-0.2) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.141 F(o=-1.4,f=-0.14) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= -0.116 USER MOD Single : A 42 GLN : amide:sc= -0.101 K(o=-0.1,f=-4.3!) USER MOD Single : A 44 THR OG1 : rot 15:sc= 0.48 USER MOD Single : A 48 THR OG1 : rot 73:sc= -0.0051 USER MOD Single : A 49 SER OG : rot -67:sc= 1.77 USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= -0.0213 (180deg=-0.154) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.155 K(o=-0.16,f=-0.81) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.103 F(o=-1.4!,f=-0.1) USER MOD Single : B 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 84 MET CE :methyl -164:sc= -0.0526 (180deg=-0.381) USER MOD Single : B 85 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 86 HIS : no HD1:sc= -1.49! C(o=-1.5!,f=-4.1!) USER MOD Single : B 90 HIS :FLIP no HE2:sc= 0.206 F(o=-1.6,f=0.21) USER MOD Single : B 93 GLN :FLIP amide:sc= -0.206 F(o=-3.3!,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.699 10.972 -2.772 1.00 0.00 N ATOM 169 CA VAL A 12 -0.728 10.147 -1.552 1.00 0.00 C ATOM 170 C VAL A 12 0.658 9.947 -0.905 1.00 0.00 C ATOM 171 O VAL A 12 0.780 9.980 0.319 1.00 0.00 O ATOM 172 CB VAL A 12 -1.445 8.788 -1.773 1.00 0.00 C ATOM 173 CG1 VAL A 12 -0.487 7.673 -2.163 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.236 8.411 -0.535 1.00 0.00 C ATOM 0 HA VAL A 12 -1.318 10.723 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.127 8.915 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.045 6.747 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.020 7.937 -3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.251 7.535 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.736 7.456 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.561 8.325 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.981 9.180 -0.331 1.00 0.00 H new ATOM 184 N GLY A 13 1.694 9.771 -1.712 1.00 0.00 N ATOM 185 CA GLY A 13 3.025 9.566 -1.175 1.00 0.00 C ATOM 186 C GLY A 13 3.701 8.343 -1.763 1.00 0.00 C ATOM 187 O GLY A 13 4.496 7.681 -1.096 1.00 0.00 O ATOM 0 H GLY A 13 1.637 9.766 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.635 10.447 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.965 9.460 -0.092 1.00 0.00 H new ATOM 191 N TRP A 14 3.383 8.045 -3.014 1.00 0.00 N ATOM 192 CA TRP A 14 3.961 6.899 -3.700 1.00 0.00 C ATOM 193 C TRP A 14 4.798 7.356 -4.885 1.00 0.00 C ATOM 194 O TRP A 14 4.359 8.190 -5.679 1.00 0.00 O ATOM 195 CB TRP A 14 2.861 5.943 -4.177 1.00 0.00 C ATOM 196 CG TRP A 14 3.379 4.791 -4.986 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.981 3.663 -4.512 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.343 4.657 -6.413 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.330 2.841 -5.554 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.946 3.426 -6.731 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.862 5.458 -7.454 1.00 0.00 C ATOM 202 CZ2 TRP A 14 4.078 2.977 -8.040 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.993 5.009 -8.756 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.598 3.777 -9.038 1.00 0.00 C ATOM 0 H TRP A 14 2.725 8.584 -3.577 1.00 0.00 H new ATOM 0 HA TRP A 14 4.603 6.370 -2.996 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.326 5.556 -3.310 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.140 6.501 -4.774 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.157 3.448 -3.468 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.800 1.940 -5.466 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.397 6.410 -7.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.544 2.028 -8.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.623 5.618 -9.568 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.687 3.453 -10.065 1.00 0.00 H new ATOM 215 N ASP A 15 5.999 6.813 -4.990 1.00 0.00 N ATOM 216 CA ASP A 15 6.879 7.105 -6.113 1.00 0.00 C ATOM 217 C ASP A 15 7.075 5.833 -6.932 1.00 0.00 C ATOM 218 O ASP A 15 7.197 4.759 -6.354 1.00 0.00 O ATOM 219 CB ASP A 15 8.223 7.632 -5.602 1.00 0.00 C ATOM 220 CG ASP A 15 8.861 8.622 -6.553 1.00 0.00 C ATOM 221 OD1 ASP A 15 8.410 9.782 -6.612 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.822 8.235 -7.255 1.00 0.00 O ATOM 0 H ASP A 15 6.390 6.164 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 15 6.432 7.873 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.077 8.108 -4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.902 6.794 -5.447 1.00 0.00 H new ATOM 227 N PRO A 16 7.095 5.943 -8.278 1.00 0.00 N ATOM 228 CA PRO A 16 7.148 4.804 -9.208 1.00 0.00 C ATOM 229 C PRO A 16 7.951 3.597 -8.710 1.00 0.00 C ATOM 230 O PRO A 16 7.404 2.505 -8.554 1.00 0.00 O ATOM 231 CB PRO A 16 7.806 5.399 -10.464 1.00 0.00 C ATOM 232 CG PRO A 16 7.861 6.884 -10.256 1.00 0.00 C ATOM 233 CD PRO A 16 7.051 7.198 -9.026 1.00 0.00 C ATOM 0 HA PRO A 16 6.149 4.396 -9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.806 4.991 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.230 5.154 -11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.892 7.216 -10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.460 7.408 -11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.482 8.022 -8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.029 7.483 -9.277 1.00 0.00 H new ATOM 241 N GLN A 17 9.245 3.782 -8.479 1.00 0.00 N ATOM 242 CA GLN A 17 10.102 2.684 -8.050 1.00 0.00 C ATOM 243 C GLN A 17 10.433 2.774 -6.564 1.00 0.00 C ATOM 244 O GLN A 17 10.644 1.756 -5.906 1.00 0.00 O ATOM 245 CB GLN A 17 11.381 2.654 -8.876 1.00 0.00 C ATOM 246 CG GLN A 17 11.139 2.376 -10.350 1.00 0.00 C ATOM 247 CD GLN A 17 12.402 2.459 -11.182 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.504 2.202 -10.697 1.00 0.00 O ATOM 249 NE2 GLN A 17 12.248 2.810 -12.446 1.00 0.00 N ATOM 0 H GLN A 17 9.722 4.678 -8.581 1.00 0.00 H new ATOM 0 HA GLN A 17 9.553 1.756 -8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.894 3.610 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.047 1.890 -8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.702 1.383 -10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.410 3.089 -10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.317 3.015 -12.809 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.060 2.876 -13.059 1.00 0.00 H new ATOM 258 N ASN A 18 10.485 3.993 -6.039 1.00 0.00 N ATOM 259 CA ASN A 18 10.798 4.206 -4.630 1.00 0.00 C ATOM 260 C ASN A 18 9.694 3.646 -3.736 1.00 0.00 C ATOM 261 O ASN A 18 9.964 3.121 -2.655 1.00 0.00 O ATOM 262 CB ASN A 18 11.017 5.697 -4.344 1.00 0.00 C ATOM 263 CG ASN A 18 11.355 5.979 -2.888 1.00 0.00 C ATOM 264 OD1 ASN A 18 10.479 6.276 -2.077 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.631 5.890 -2.551 1.00 0.00 N ATOM 0 H ASN A 18 10.315 4.849 -6.567 1.00 0.00 H new ATOM 0 HA ASN A 18 11.721 3.672 -4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.823 6.068 -4.977 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.118 6.250 -4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.918 6.070 -1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.328 5.641 -3.253 1.00 0.00 H new ATOM 272 N GLY A 19 8.457 3.743 -4.209 1.00 0.00 N ATOM 273 CA GLY A 19 7.329 3.215 -3.474 1.00 0.00 C ATOM 274 C GLY A 19 6.704 4.243 -2.559 1.00 0.00 C ATOM 275 O GLY A 19 6.954 5.445 -2.697 1.00 0.00 O ATOM 0 H GLY A 19 8.217 4.183 -5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.578 2.854 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.653 2.357 -2.885 1.00 0.00 H new ATOM 279 N PHE A 20 5.876 3.772 -1.640 1.00 0.00 N ATOM 280 CA PHE A 20 5.296 4.625 -0.617 1.00 0.00 C ATOM 281 C PHE A 20 6.371 4.974 0.397 1.00 0.00 C ATOM 282 O PHE A 20 6.977 4.081 0.993 1.00 0.00 O ATOM 283 CB PHE A 20 4.144 3.921 0.112 1.00 0.00 C ATOM 284 CG PHE A 20 2.938 3.611 -0.729 1.00 0.00 C ATOM 285 CD1 PHE A 20 1.963 4.571 -0.944 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.799 2.374 -1.335 1.00 0.00 C ATOM 287 CE1 PHE A 20 0.871 4.302 -1.744 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.710 2.100 -2.139 1.00 0.00 C ATOM 289 CZ PHE A 20 0.673 3.012 -2.224 1.00 0.00 C ATOM 0 H PHE A 20 5.589 2.795 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 20 4.905 5.521 -1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.520 2.989 0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.831 4.546 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.058 5.542 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.551 1.615 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.175 5.088 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.668 1.178 -2.699 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.275 2.727 -2.656 1.00 0.00 H new ATOM 299 N ASP A 21 6.618 6.255 0.593 1.00 0.00 N ATOM 300 CA ASP A 21 7.657 6.660 1.523 1.00 0.00 C ATOM 301 C ASP A 21 7.184 6.459 2.954 1.00 0.00 C ATOM 302 O ASP A 21 6.199 7.056 3.393 1.00 0.00 O ATOM 303 CB ASP A 21 8.080 8.106 1.302 1.00 0.00 C ATOM 304 CG ASP A 21 9.366 8.415 2.037 1.00 0.00 C ATOM 305 OD1 ASP A 21 9.318 8.647 3.261 1.00 0.00 O ATOM 306 OD2 ASP A 21 10.437 8.397 1.394 1.00 0.00 O ATOM 0 H ASP A 21 6.126 7.020 0.132 1.00 0.00 H new ATOM 0 HA ASP A 21 8.530 6.032 1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.213 8.290 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.291 8.776 1.645 1.00 0.00 H new ATOM 311 N VAL A 22 7.906 5.621 3.679 1.00 0.00 N ATOM 312 CA VAL A 22 7.498 5.190 5.008 1.00 0.00 C ATOM 313 C VAL A 22 7.648 6.286 6.062 1.00 0.00 C ATOM 314 O VAL A 22 7.118 6.160 7.169 1.00 0.00 O ATOM 315 CB VAL A 22 8.288 3.946 5.447 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.897 2.744 4.605 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.783 4.200 5.348 1.00 0.00 C ATOM 0 H VAL A 22 8.790 5.220 3.365 1.00 0.00 H new ATOM 0 HA VAL A 22 6.438 4.947 4.934 1.00 0.00 H new ATOM 0 HB VAL A 22 8.044 3.734 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.466 1.872 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.832 2.547 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.113 2.949 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.325 3.308 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.044 4.438 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.054 5.036 5.993 1.00 0.00 H new ATOM 327 N ASN A 23 8.348 7.363 5.724 1.00 0.00 N ATOM 328 CA ASN A 23 8.567 8.444 6.681 1.00 0.00 C ATOM 329 C ASN A 23 7.322 9.313 6.784 1.00 0.00 C ATOM 330 O ASN A 23 7.021 9.864 7.843 1.00 0.00 O ATOM 331 CB ASN A 23 9.762 9.314 6.279 1.00 0.00 C ATOM 332 CG ASN A 23 11.045 8.522 6.126 1.00 0.00 C ATOM 333 OD1 ASN A 23 11.775 8.298 7.094 1.00 0.00 O ATOM 334 ND2 ASN A 23 11.338 8.106 4.906 1.00 0.00 N ATOM 0 H ASN A 23 8.769 7.512 4.807 1.00 0.00 H new ATOM 0 HA ASN A 23 8.781 7.990 7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.538 9.818 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.908 10.091 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.195 7.579 4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.707 8.312 4.132 1.00 0.00 H new ATOM 341 N ASN A 24 6.595 9.420 5.681 1.00 0.00 N ATOM 342 CA ASN A 24 5.405 10.258 5.624 1.00 0.00 C ATOM 343 C ASN A 24 4.167 9.439 5.283 1.00 0.00 C ATOM 344 O ASN A 24 3.221 9.942 4.675 1.00 0.00 O ATOM 345 CB ASN A 24 5.597 11.387 4.604 1.00 0.00 C ATOM 346 CG ASN A 24 6.018 10.883 3.235 1.00 0.00 C ATOM 347 OD1 ASN A 24 7.319 10.809 3.005 1.00 0.00 O flip ATOM 348 ND2 ASN A 24 5.185 10.578 2.384 1.00 0.00 N flip ATOM 0 H ASN A 24 6.809 8.935 4.810 1.00 0.00 H new ATOM 0 HA ASN A 24 5.255 10.696 6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.666 11.946 4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.349 12.082 4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.190 10.648 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.489 10.255 1.465 1.00 0.00 H new ATOM 355 N LEU A 25 4.174 8.176 5.688 1.00 0.00 N ATOM 356 CA LEU A 25 3.015 7.314 5.507 1.00 0.00 C ATOM 357 C LEU A 25 1.851 7.809 6.350 1.00 0.00 C ATOM 358 O LEU A 25 1.945 7.865 7.580 1.00 0.00 O ATOM 359 CB LEU A 25 3.335 5.865 5.891 1.00 0.00 C ATOM 360 CG LEU A 25 4.046 5.035 4.824 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.422 3.675 5.388 1.00 0.00 C ATOM 362 CD2 LEU A 25 3.161 4.867 3.600 1.00 0.00 C ATOM 0 H LEU A 25 4.968 7.727 6.143 1.00 0.00 H new ATOM 0 HA LEU A 25 2.743 7.345 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.954 5.875 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.403 5.364 6.152 1.00 0.00 H new ATOM 0 HG LEU A 25 4.954 5.559 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.928 3.090 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.087 3.806 6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.521 3.152 5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.685 4.273 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.239 4.361 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.924 5.847 3.185 1.00 0.00 H new ATOM 374 N ASP A 26 0.770 8.187 5.679 1.00 0.00 N ATOM 375 CA ASP A 26 -0.455 8.594 6.358 1.00 0.00 C ATOM 376 C ASP A 26 -0.903 7.500 7.316 1.00 0.00 C ATOM 377 O ASP A 26 -0.881 6.317 6.976 1.00 0.00 O ATOM 378 CB ASP A 26 -1.562 8.878 5.337 1.00 0.00 C ATOM 379 CG ASP A 26 -2.859 9.297 6.005 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.614 8.412 6.450 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.119 10.514 6.108 1.00 0.00 O ATOM 0 H ASP A 26 0.716 8.220 4.661 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.257 9.506 6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.234 9.664 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.736 7.987 4.734 1.00 0.00 H new ATOM 386 N PRO A 27 -1.280 7.901 8.543 1.00 0.00 N ATOM 387 CA PRO A 27 -1.682 6.984 9.620 1.00 0.00 C ATOM 388 C PRO A 27 -2.715 5.941 9.202 1.00 0.00 C ATOM 389 O PRO A 27 -2.761 4.855 9.780 1.00 0.00 O ATOM 390 CB PRO A 27 -2.275 7.922 10.669 1.00 0.00 C ATOM 391 CG PRO A 27 -1.555 9.206 10.467 1.00 0.00 C ATOM 392 CD PRO A 27 -1.313 9.309 8.988 1.00 0.00 C ATOM 0 HA PRO A 27 -0.834 6.390 9.962 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.349 8.043 10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.124 7.536 11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.147 10.048 10.826 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.615 9.219 11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.105 9.868 8.490 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.376 9.821 8.770 1.00 0.00 H new ATOM 400 N ASP A 28 -3.550 6.262 8.216 1.00 0.00 N ATOM 401 CA ASP A 28 -4.536 5.303 7.728 1.00 0.00 C ATOM 402 C ASP A 28 -3.854 4.267 6.851 1.00 0.00 C ATOM 403 O ASP A 28 -4.098 3.068 6.979 1.00 0.00 O ATOM 404 CB ASP A 28 -5.656 5.987 6.935 1.00 0.00 C ATOM 405 CG ASP A 28 -6.487 6.937 7.775 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.049 6.505 8.802 1.00 0.00 O ATOM 407 OD2 ASP A 28 -6.591 8.124 7.408 1.00 0.00 O ATOM 0 H ASP A 28 -3.564 7.167 7.745 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.986 4.822 8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.219 6.537 6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.308 5.225 6.508 1.00 0.00 H new ATOM 412 N LEU A 29 -2.982 4.737 5.968 1.00 0.00 N ATOM 413 CA LEU A 29 -2.208 3.847 5.115 1.00 0.00 C ATOM 414 C LEU A 29 -1.310 2.960 5.963 1.00 0.00 C ATOM 415 O LEU A 29 -1.264 1.746 5.777 1.00 0.00 O ATOM 416 CB LEU A 29 -1.353 4.655 4.144 1.00 0.00 C ATOM 417 CG LEU A 29 -2.121 5.592 3.216 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.151 6.380 2.357 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.096 4.813 2.347 1.00 0.00 C ATOM 0 H LEU A 29 -2.794 5.729 5.825 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.900 3.224 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.640 5.246 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.774 3.962 3.534 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.697 6.289 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.707 7.046 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.494 6.969 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.554 5.692 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.632 5.502 1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.547 4.092 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.809 4.286 2.982 1.00 0.00 H new ATOM 431 N ARG A 30 -0.609 3.584 6.904 1.00 0.00 N ATOM 432 CA ARG A 30 0.271 2.869 7.820 1.00 0.00 C ATOM 433 C ARG A 30 -0.508 1.781 8.554 1.00 0.00 C ATOM 434 O ARG A 30 -0.016 0.670 8.747 1.00 0.00 O ATOM 435 CB ARG A 30 0.885 3.844 8.830 1.00 0.00 C ATOM 436 CG ARG A 30 1.879 3.206 9.789 1.00 0.00 C ATOM 437 CD ARG A 30 3.159 2.793 9.079 1.00 0.00 C ATOM 438 NE ARG A 30 4.126 2.190 9.994 1.00 0.00 N ATOM 439 CZ ARG A 30 5.447 2.232 9.820 1.00 0.00 C ATOM 440 NH1 ARG A 30 5.975 2.903 8.803 1.00 0.00 N ATOM 441 NH2 ARG A 30 6.247 1.628 10.683 1.00 0.00 N ATOM 0 H ARG A 30 -0.635 4.593 7.052 1.00 0.00 H new ATOM 0 HA ARG A 30 1.072 2.404 7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.385 4.645 8.286 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.083 4.303 9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.116 3.909 10.588 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.424 2.333 10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.920 2.084 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.606 3.665 8.603 1.00 0.00 H new ATOM 0 HE ARG A 30 3.768 1.707 10.818 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.368 3.393 8.145 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.987 2.928 8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.853 1.130 11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.258 1.660 10.550 1.00 0.00 H new ATOM 455 N SER A 31 -1.732 2.118 8.947 1.00 0.00 N ATOM 456 CA SER A 31 -2.609 1.178 9.623 1.00 0.00 C ATOM 457 C SER A 31 -2.934 0.002 8.706 1.00 0.00 C ATOM 458 O SER A 31 -2.706 -1.153 9.058 1.00 0.00 O ATOM 459 CB SER A 31 -3.908 1.880 10.043 1.00 0.00 C ATOM 460 OG SER A 31 -4.661 1.082 10.940 1.00 0.00 O ATOM 0 H SER A 31 -2.138 3.043 8.806 1.00 0.00 H new ATOM 0 HA SER A 31 -2.099 0.804 10.511 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.672 2.834 10.513 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.507 2.100 9.159 1.00 0.00 H new ATOM 0 HG SER A 31 -5.481 1.556 11.190 1.00 0.00 H new ATOM 466 N LEU A 32 -3.435 0.315 7.514 1.00 0.00 N ATOM 467 CA LEU A 32 -3.918 -0.696 6.586 1.00 0.00 C ATOM 468 C LEU A 32 -2.821 -1.646 6.143 1.00 0.00 C ATOM 469 O LEU A 32 -2.992 -2.856 6.182 1.00 0.00 O ATOM 470 CB LEU A 32 -4.513 -0.038 5.344 1.00 0.00 C ATOM 471 CG LEU A 32 -5.041 -1.025 4.309 1.00 0.00 C ATOM 472 CD1 LEU A 32 -6.123 -1.896 4.918 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.559 -0.309 3.076 1.00 0.00 C ATOM 0 H LEU A 32 -3.516 1.271 7.168 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.678 -1.267 7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.326 0.621 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.752 0.588 4.878 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.213 -1.662 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.491 -2.596 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.712 -2.451 5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.945 -1.268 5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.928 -1.041 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.370 0.362 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.752 0.267 2.624 1.00 0.00 H new ATOM 485 N PHE A 33 -1.705 -1.089 5.720 1.00 0.00 N ATOM 486 CA PHE A 33 -0.659 -1.872 5.077 1.00 0.00 C ATOM 487 C PHE A 33 -0.055 -2.884 6.039 1.00 0.00 C ATOM 488 O PHE A 33 0.077 -4.056 5.705 1.00 0.00 O ATOM 489 CB PHE A 33 0.431 -0.966 4.513 1.00 0.00 C ATOM 490 CG PHE A 33 -0.063 0.049 3.518 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.262 -0.128 2.832 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.682 1.189 3.271 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.694 0.818 1.926 1.00 0.00 C ATOM 494 CE2 PHE A 33 0.254 2.132 2.367 1.00 0.00 C ATOM 495 CZ PHE A 33 -0.937 1.949 1.691 1.00 0.00 C ATOM 0 H PHE A 33 -1.495 -0.095 5.808 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.119 -2.418 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.916 -0.443 5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.191 -1.585 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.857 -1.011 3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.613 1.340 3.796 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.626 0.674 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.848 3.015 2.185 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.275 2.689 0.980 1.00 0.00 H new ATOM 505 N SER A 34 0.287 -2.437 7.236 1.00 0.00 N ATOM 506 CA SER A 34 0.834 -3.325 8.252 1.00 0.00 C ATOM 507 C SER A 34 -0.226 -4.322 8.727 1.00 0.00 C ATOM 508 O SER A 34 0.090 -5.411 9.209 1.00 0.00 O ATOM 509 CB SER A 34 1.365 -2.494 9.409 1.00 0.00 C ATOM 510 OG SER A 34 2.379 -1.610 8.959 1.00 0.00 O ATOM 0 H SER A 34 0.196 -1.464 7.529 1.00 0.00 H new ATOM 0 HA SER A 34 1.655 -3.902 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.552 -1.925 9.860 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.763 -3.150 10.183 1.00 0.00 H new ATOM 0 HG SER A 34 2.710 -1.080 9.714 1.00 0.00 H new ATOM 516 N ARG A 35 -1.486 -3.940 8.562 1.00 0.00 N ATOM 517 CA ARG A 35 -2.625 -4.795 8.860 1.00 0.00 C ATOM 518 C ARG A 35 -2.856 -5.776 7.709 1.00 0.00 C ATOM 519 O ARG A 35 -3.548 -6.786 7.853 1.00 0.00 O ATOM 520 CB ARG A 35 -3.838 -3.900 9.073 1.00 0.00 C ATOM 521 CG ARG A 35 -5.071 -4.621 9.540 1.00 0.00 C ATOM 522 CD ARG A 35 -6.235 -3.644 9.668 1.00 0.00 C ATOM 523 NE ARG A 35 -7.522 -4.304 9.866 1.00 0.00 N ATOM 524 CZ ARG A 35 -8.283 -4.152 10.950 1.00 0.00 C ATOM 525 NH1 ARG A 35 -7.835 -3.466 11.996 1.00 0.00 N ATOM 526 NH2 ARG A 35 -9.494 -4.689 10.980 1.00 0.00 N ATOM 0 H ARG A 35 -1.747 -3.018 8.214 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.443 -5.383 9.760 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.583 -3.132 9.803 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.064 -3.388 8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.327 -5.413 8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.880 -5.099 10.501 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.046 -2.972 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.284 -3.028 8.770 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.861 -4.921 9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.903 -3.052 11.973 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.423 -3.354 12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.839 -5.215 10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.081 -4.577 11.806 1.00 0.00 H new ATOM 540 N ALA A 36 -2.237 -5.469 6.576 1.00 0.00 N ATOM 541 CA ALA A 36 -2.341 -6.279 5.372 1.00 0.00 C ATOM 542 C ALA A 36 -1.034 -7.024 5.111 1.00 0.00 C ATOM 543 O ALA A 36 -0.763 -7.449 3.991 1.00 0.00 O ATOM 544 CB ALA A 36 -2.692 -5.385 4.188 1.00 0.00 C ATOM 0 H ALA A 36 -1.645 -4.645 6.467 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.129 -7.020 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.770 -5.991 3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.644 -4.889 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.913 -4.635 4.055 1.00 0.00 H new ATOM 550 N GLY A 37 -0.208 -7.141 6.147 1.00 0.00 N ATOM 551 CA GLY A 37 1.025 -7.910 6.043 1.00 0.00 C ATOM 552 C GLY A 37 2.168 -7.132 5.413 1.00 0.00 C ATOM 553 O GLY A 37 3.330 -7.518 5.538 1.00 0.00 O ATOM 0 H GLY A 37 -0.369 -6.716 7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.324 -8.240 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.837 -8.807 5.453 1.00 0.00 H new ATOM 557 N ILE A 38 1.835 -6.048 4.728 1.00 0.00 N ATOM 558 CA ILE A 38 2.822 -5.205 4.078 1.00 0.00 C ATOM 559 C ILE A 38 3.733 -4.537 5.101 1.00 0.00 C ATOM 560 O ILE A 38 3.333 -3.601 5.795 1.00 0.00 O ATOM 561 CB ILE A 38 2.123 -4.118 3.238 1.00 0.00 C ATOM 562 CG1 ILE A 38 1.087 -4.755 2.318 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.136 -3.321 2.428 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.150 -3.750 1.710 1.00 0.00 C ATOM 0 H ILE A 38 0.873 -5.730 4.608 1.00 0.00 H new ATOM 0 HA ILE A 38 3.426 -5.840 3.430 1.00 0.00 H new ATOM 0 HB ILE A 38 1.618 -3.430 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.599 -5.296 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.510 -5.488 2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.618 -2.561 1.844 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.844 -2.840 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.673 -3.991 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.564 -4.262 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.386 -3.227 2.502 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.720 -3.031 1.121 1.00 0.00 H new ATOM 576 N SER A 39 4.953 -5.033 5.199 1.00 0.00 N ATOM 577 CA SER A 39 5.948 -4.418 6.052 1.00 0.00 C ATOM 578 C SER A 39 6.511 -3.175 5.367 1.00 0.00 C ATOM 579 O SER A 39 6.247 -2.952 4.182 1.00 0.00 O ATOM 580 CB SER A 39 7.060 -5.413 6.382 1.00 0.00 C ATOM 581 OG SER A 39 8.003 -4.855 7.283 1.00 0.00 O ATOM 0 H SER A 39 5.277 -5.860 4.698 1.00 0.00 H new ATOM 0 HA SER A 39 5.481 -4.119 6.990 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.627 -6.314 6.818 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.565 -5.714 5.464 1.00 0.00 H new ATOM 0 HG SER A 39 8.701 -5.515 7.477 1.00 0.00 H new ATOM 587 N GLU A 40 7.277 -2.375 6.096 1.00 0.00 N ATOM 588 CA GLU A 40 7.826 -1.139 5.547 1.00 0.00 C ATOM 589 C GLU A 40 8.572 -1.381 4.242 1.00 0.00 C ATOM 590 O GLU A 40 8.399 -0.641 3.273 1.00 0.00 O ATOM 591 CB GLU A 40 8.765 -0.474 6.539 1.00 0.00 C ATOM 592 CG GLU A 40 8.058 0.280 7.643 1.00 0.00 C ATOM 593 CD GLU A 40 8.985 1.253 8.327 1.00 0.00 C ATOM 594 OE1 GLU A 40 10.026 1.594 7.724 1.00 0.00 O ATOM 595 OE2 GLU A 40 8.675 1.682 9.456 1.00 0.00 O ATOM 0 H GLU A 40 7.533 -2.557 7.066 1.00 0.00 H new ATOM 0 HA GLU A 40 6.979 -0.482 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.405 -1.235 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.416 0.215 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.205 0.818 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.666 -0.426 8.375 1.00 0.00 H new ATOM 602 N ALA A 41 9.390 -2.430 4.222 1.00 0.00 N ATOM 603 CA ALA A 41 10.209 -2.754 3.056 1.00 0.00 C ATOM 604 C ALA A 41 9.347 -2.971 1.818 1.00 0.00 C ATOM 605 O ALA A 41 9.795 -2.761 0.692 1.00 0.00 O ATOM 606 CB ALA A 41 11.058 -3.985 3.335 1.00 0.00 C ATOM 0 H ALA A 41 9.504 -3.074 5.005 1.00 0.00 H new ATOM 0 HA ALA A 41 10.867 -1.908 2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.663 -4.216 2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.711 -3.791 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.409 -4.831 3.561 1.00 0.00 H new ATOM 612 N GLN A 42 8.095 -3.344 2.040 1.00 0.00 N ATOM 613 CA GLN A 42 7.183 -3.649 0.949 1.00 0.00 C ATOM 614 C GLN A 42 6.571 -2.381 0.377 1.00 0.00 C ATOM 615 O GLN A 42 6.264 -2.317 -0.811 1.00 0.00 O ATOM 616 CB GLN A 42 6.086 -4.602 1.407 1.00 0.00 C ATOM 617 CG GLN A 42 6.534 -6.046 1.500 1.00 0.00 C ATOM 618 CD GLN A 42 5.445 -6.951 2.027 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.343 -7.176 3.231 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.627 -7.480 1.133 1.00 0.00 N ATOM 0 H GLN A 42 7.687 -3.443 2.970 1.00 0.00 H new ATOM 0 HA GLN A 42 7.760 -4.137 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.721 -4.280 2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.246 -4.535 0.715 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.845 -6.392 0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.406 -6.113 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.747 -7.267 0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.876 -8.101 1.434 1.00 0.00 H new ATOM 629 N LEU A 43 6.395 -1.370 1.216 1.00 0.00 N ATOM 630 CA LEU A 43 5.973 -0.069 0.723 1.00 0.00 C ATOM 631 C LEU A 43 7.065 0.529 -0.146 1.00 0.00 C ATOM 632 O LEU A 43 6.791 1.279 -1.074 1.00 0.00 O ATOM 633 CB LEU A 43 5.623 0.901 1.861 1.00 0.00 C ATOM 634 CG LEU A 43 4.169 0.856 2.351 1.00 0.00 C ATOM 635 CD1 LEU A 43 3.253 0.270 1.289 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.043 0.086 3.651 1.00 0.00 C ATOM 0 H LEU A 43 6.535 -1.424 2.225 1.00 0.00 H new ATOM 0 HA LEU A 43 5.068 -0.220 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.278 0.692 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.844 1.916 1.530 1.00 0.00 H new ATOM 0 HG LEU A 43 3.858 1.883 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.229 0.250 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.299 0.884 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.573 -0.745 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.000 0.075 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.388 -0.937 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.650 0.566 4.419 1.00 0.00 H new ATOM 648 N THR A 44 8.304 0.162 0.146 1.00 0.00 N ATOM 649 CA THR A 44 9.438 0.633 -0.628 1.00 0.00 C ATOM 650 C THR A 44 9.852 -0.405 -1.670 1.00 0.00 C ATOM 651 O THR A 44 10.921 -0.309 -2.272 1.00 0.00 O ATOM 652 CB THR A 44 10.632 0.965 0.289 1.00 0.00 C ATOM 653 OG1 THR A 44 10.930 -0.155 1.142 1.00 0.00 O ATOM 654 CG2 THR A 44 10.330 2.193 1.137 1.00 0.00 C ATOM 0 H THR A 44 8.548 -0.462 0.915 1.00 0.00 H new ATOM 0 HA THR A 44 9.133 1.544 -1.143 1.00 0.00 H new ATOM 0 HB THR A 44 11.498 1.177 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.472 -0.954 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.184 2.412 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.137 3.046 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.453 2.002 1.755 1.00 0.00 H new ATOM 662 N ASP A 45 9.003 -1.406 -1.864 1.00 0.00 N ATOM 663 CA ASP A 45 9.240 -2.429 -2.872 1.00 0.00 C ATOM 664 C ASP A 45 8.578 -2.028 -4.184 1.00 0.00 C ATOM 665 O ASP A 45 7.449 -1.540 -4.174 1.00 0.00 O ATOM 666 CB ASP A 45 8.698 -3.782 -2.409 1.00 0.00 C ATOM 667 CG ASP A 45 9.027 -4.894 -3.379 1.00 0.00 C ATOM 668 OD1 ASP A 45 10.142 -5.447 -3.296 1.00 0.00 O ATOM 669 OD2 ASP A 45 8.165 -5.224 -4.224 1.00 0.00 O ATOM 0 H ASP A 45 8.141 -1.531 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 45 10.316 -2.521 -3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.114 -4.022 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.617 -3.716 -2.289 1.00 0.00 H new ATOM 674 N ALA A 46 9.273 -2.229 -5.297 1.00 0.00 N ATOM 675 CA ALA A 46 8.819 -1.727 -6.592 1.00 0.00 C ATOM 676 C ALA A 46 7.419 -2.223 -6.949 1.00 0.00 C ATOM 677 O ALA A 46 6.462 -1.442 -6.975 1.00 0.00 O ATOM 678 CB ALA A 46 9.810 -2.107 -7.680 1.00 0.00 C ATOM 0 H ALA A 46 10.156 -2.738 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 46 8.764 -0.641 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.460 -1.727 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.784 -1.675 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.897 -3.192 -7.730 1.00 0.00 H new ATOM 684 N GLU A 47 7.296 -3.520 -7.213 1.00 0.00 N ATOM 685 CA GLU A 47 6.029 -4.088 -7.642 1.00 0.00 C ATOM 686 C GLU A 47 5.009 -4.077 -6.510 1.00 0.00 C ATOM 687 O GLU A 47 3.837 -3.779 -6.734 1.00 0.00 O ATOM 688 CB GLU A 47 6.205 -5.514 -8.190 1.00 0.00 C ATOM 689 CG GLU A 47 6.891 -6.481 -7.235 1.00 0.00 C ATOM 690 CD GLU A 47 8.395 -6.539 -7.426 1.00 0.00 C ATOM 691 OE1 GLU A 47 9.051 -5.485 -7.283 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.935 -7.626 -7.722 1.00 0.00 O ATOM 0 H GLU A 47 8.058 -4.194 -7.137 1.00 0.00 H new ATOM 0 HA GLU A 47 5.653 -3.461 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.224 -5.913 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.782 -5.465 -9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.672 -6.186 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.474 -7.478 -7.375 1.00 0.00 H new ATOM 699 N THR A 48 5.457 -4.379 -5.296 1.00 0.00 N ATOM 700 CA THR A 48 4.555 -4.445 -4.160 1.00 0.00 C ATOM 701 C THR A 48 3.790 -3.135 -3.962 1.00 0.00 C ATOM 702 O THR A 48 2.560 -3.135 -3.909 1.00 0.00 O ATOM 703 CB THR A 48 5.299 -4.813 -2.865 1.00 0.00 C ATOM 704 OG1 THR A 48 6.012 -6.044 -3.048 1.00 0.00 O ATOM 705 CG2 THR A 48 4.317 -4.957 -1.712 1.00 0.00 C ATOM 0 H THR A 48 6.433 -4.580 -5.078 1.00 0.00 H new ATOM 0 HA THR A 48 3.836 -5.233 -4.385 1.00 0.00 H new ATOM 0 HB THR A 48 6.005 -4.016 -2.629 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.793 -5.888 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.859 -5.218 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.790 -4.014 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.597 -5.742 -1.943 1.00 0.00 H new ATOM 713 N SER A 49 4.510 -2.025 -3.893 1.00 0.00 N ATOM 714 CA SER A 49 3.887 -0.737 -3.628 1.00 0.00 C ATOM 715 C SER A 49 2.973 -0.319 -4.778 1.00 0.00 C ATOM 716 O SER A 49 1.892 0.233 -4.558 1.00 0.00 O ATOM 717 CB SER A 49 4.958 0.329 -3.395 1.00 0.00 C ATOM 718 OG SER A 49 5.773 0.495 -4.541 1.00 0.00 O ATOM 0 H SER A 49 5.522 -1.990 -4.016 1.00 0.00 H new ATOM 0 HA SER A 49 3.278 -0.835 -2.729 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.483 1.277 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.577 0.047 -2.543 1.00 0.00 H new ATOM 0 HG SER A 49 6.302 -0.317 -4.687 1.00 0.00 H new ATOM 724 N LYS A 50 3.400 -0.604 -6.002 1.00 0.00 N ATOM 725 CA LYS A 50 2.659 -0.189 -7.182 1.00 0.00 C ATOM 726 C LYS A 50 1.281 -0.843 -7.234 1.00 0.00 C ATOM 727 O LYS A 50 0.298 -0.197 -7.598 1.00 0.00 O ATOM 728 CB LYS A 50 3.454 -0.504 -8.450 1.00 0.00 C ATOM 729 CG LYS A 50 2.784 -0.005 -9.721 1.00 0.00 C ATOM 730 CD LYS A 50 3.729 -0.052 -10.908 1.00 0.00 C ATOM 731 CE LYS A 50 3.025 0.361 -12.187 1.00 0.00 C ATOM 732 NZ LYS A 50 2.445 1.729 -12.100 1.00 0.00 N ATOM 0 H LYS A 50 4.256 -1.121 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 50 2.511 0.889 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.444 -0.056 -8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.597 -1.582 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.904 -0.613 -9.932 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.437 1.017 -9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.577 0.608 -10.727 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.128 -1.060 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.731 0.321 -13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.232 -0.353 -12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.142 2.038 -13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.626 1.719 -11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.162 2.387 -11.734 1.00 0.00 H new ATOM 746 N LEU A 51 1.196 -2.113 -6.852 1.00 0.00 N ATOM 747 CA LEU A 51 -0.089 -2.797 -6.852 1.00 0.00 C ATOM 748 C LEU A 51 -0.964 -2.344 -5.695 1.00 0.00 C ATOM 749 O LEU A 51 -2.185 -2.386 -5.797 1.00 0.00 O ATOM 750 CB LEU A 51 0.059 -4.307 -6.837 1.00 0.00 C ATOM 751 CG LEU A 51 0.267 -4.933 -8.212 1.00 0.00 C ATOM 752 CD1 LEU A 51 -0.574 -4.229 -9.268 1.00 0.00 C ATOM 753 CD2 LEU A 51 1.733 -4.923 -8.589 1.00 0.00 C ATOM 0 H LEU A 51 1.986 -2.680 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.579 -2.522 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.903 -4.571 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.831 -4.743 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.063 -5.971 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.406 -4.696 -10.238 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.629 -4.308 -9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.290 -3.178 -9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.859 -5.374 -9.573 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.096 -3.895 -8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.302 -5.492 -7.854 1.00 0.00 H new ATOM 765 N ILE A 52 -0.353 -1.936 -4.587 1.00 0.00 N ATOM 766 CA ILE A 52 -1.108 -1.326 -3.503 1.00 0.00 C ATOM 767 C ILE A 52 -1.742 -0.021 -3.973 1.00 0.00 C ATOM 768 O ILE A 52 -2.914 0.242 -3.714 1.00 0.00 O ATOM 769 CB ILE A 52 -0.220 -1.035 -2.281 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.458 -2.309 -1.796 1.00 0.00 C ATOM 771 CG2 ILE A 52 -1.057 -0.432 -1.167 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.527 -2.061 -0.758 1.00 0.00 C ATOM 0 H ILE A 52 0.650 -2.016 -4.419 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.881 -2.036 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 52 0.553 -0.324 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.296 -2.977 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.902 -2.823 -2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.422 -0.228 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.508 0.498 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.842 -1.132 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.969 -3.011 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.300 -1.418 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.084 -1.575 0.111 1.00 0.00 H new ATOM 784 N TYR A 53 -0.955 0.784 -4.677 1.00 0.00 N ATOM 785 CA TYR A 53 -1.430 2.050 -5.225 1.00 0.00 C ATOM 786 C TYR A 53 -2.571 1.795 -6.210 1.00 0.00 C ATOM 787 O TYR A 53 -3.591 2.489 -6.200 1.00 0.00 O ATOM 788 CB TYR A 53 -0.271 2.768 -5.919 1.00 0.00 C ATOM 789 CG TYR A 53 -0.527 4.224 -6.227 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.558 5.176 -5.216 1.00 0.00 C ATOM 791 CD2 TYR A 53 -0.766 4.642 -7.530 1.00 0.00 C ATOM 792 CE1 TYR A 53 -0.819 6.503 -5.497 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.030 5.964 -7.817 1.00 0.00 C ATOM 794 CZ TYR A 53 -0.941 6.913 -6.787 1.00 0.00 C ATOM 795 OH TYR A 53 -1.320 8.211 -7.091 1.00 0.00 O ATOM 0 H TYR A 53 0.023 0.580 -4.883 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.806 2.681 -4.419 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.615 2.694 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.044 2.248 -6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.375 4.874 -4.195 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.745 3.919 -8.332 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.926 7.215 -4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.301 6.265 -8.818 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.353 8.323 -8.064 1.00 0.00 H new ATOM 805 N ASP A 54 -2.382 0.778 -7.043 1.00 0.00 N ATOM 806 CA ASP A 54 -3.407 0.325 -7.978 1.00 0.00 C ATOM 807 C ASP A 54 -4.641 -0.169 -7.228 1.00 0.00 C ATOM 808 O ASP A 54 -5.774 0.113 -7.611 1.00 0.00 O ATOM 809 CB ASP A 54 -2.830 -0.792 -8.852 1.00 0.00 C ATOM 810 CG ASP A 54 -3.866 -1.463 -9.726 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.352 -0.811 -10.674 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.209 -2.637 -9.459 1.00 0.00 O ATOM 0 H ASP A 54 -1.514 0.244 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.711 1.160 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.043 -0.380 -9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.365 -1.541 -8.212 1.00 0.00 H new ATOM 817 N PHE A 55 -4.395 -0.898 -6.147 1.00 0.00 N ATOM 818 CA PHE A 55 -5.450 -1.420 -5.282 1.00 0.00 C ATOM 819 C PHE A 55 -6.345 -0.308 -4.759 1.00 0.00 C ATOM 820 O PHE A 55 -7.569 -0.381 -4.863 1.00 0.00 O ATOM 821 CB PHE A 55 -4.817 -2.164 -4.106 1.00 0.00 C ATOM 822 CG PHE A 55 -5.767 -2.505 -2.997 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.646 -3.566 -3.124 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.766 -1.775 -1.816 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.505 -3.897 -2.097 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.625 -2.100 -0.789 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.496 -3.165 -0.929 1.00 0.00 C ATOM 0 H PHE A 55 -3.454 -1.146 -5.842 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.068 -2.099 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.366 -3.085 -4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.010 -1.555 -3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.660 -4.142 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.085 -0.944 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.184 -4.729 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.618 -1.524 0.124 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.168 -3.423 -0.124 1.00 0.00 H new ATOM 837 N ILE A 56 -5.719 0.709 -4.193 1.00 0.00 N ATOM 838 CA ILE A 56 -6.436 1.825 -3.605 1.00 0.00 C ATOM 839 C ILE A 56 -7.278 2.543 -4.664 1.00 0.00 C ATOM 840 O ILE A 56 -8.415 2.940 -4.406 1.00 0.00 O ATOM 841 CB ILE A 56 -5.442 2.797 -2.935 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.653 2.050 -1.858 1.00 0.00 C ATOM 843 CG2 ILE A 56 -6.163 3.987 -2.332 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.573 2.878 -1.200 1.00 0.00 C ATOM 0 H ILE A 56 -4.704 0.784 -4.129 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.115 1.445 -2.841 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.756 3.176 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.345 1.700 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.197 1.166 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.438 4.655 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.699 4.523 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.871 3.640 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.060 2.277 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.857 3.206 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.022 3.749 -0.723 1.00 0.00 H new ATOM 856 N GLU A 57 -6.723 2.669 -5.864 1.00 0.00 N ATOM 857 CA GLU A 57 -7.434 3.278 -6.982 1.00 0.00 C ATOM 858 C GLU A 57 -8.621 2.408 -7.396 1.00 0.00 C ATOM 859 O GLU A 57 -9.719 2.905 -7.644 1.00 0.00 O ATOM 860 CB GLU A 57 -6.493 3.447 -8.175 1.00 0.00 C ATOM 861 CG GLU A 57 -7.100 4.240 -9.319 1.00 0.00 C ATOM 862 CD GLU A 57 -6.969 5.735 -9.121 1.00 0.00 C ATOM 863 OE1 GLU A 57 -7.769 6.299 -8.344 1.00 0.00 O ATOM 864 OE2 GLU A 57 -6.084 6.357 -9.745 1.00 0.00 O ATOM 0 H GLU A 57 -5.778 2.356 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.798 4.255 -6.665 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.582 3.945 -7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.202 2.462 -8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.613 3.956 -10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.154 3.981 -9.418 1.00 0.00 H new ATOM 871 N ASP A 58 -8.383 1.102 -7.454 1.00 0.00 N ATOM 872 CA ASP A 58 -9.386 0.128 -7.893 1.00 0.00 C ATOM 873 C ASP A 58 -10.652 0.191 -7.045 1.00 0.00 C ATOM 874 O ASP A 58 -11.751 -0.060 -7.540 1.00 0.00 O ATOM 875 CB ASP A 58 -8.798 -1.286 -7.840 1.00 0.00 C ATOM 876 CG ASP A 58 -9.795 -2.365 -8.219 1.00 0.00 C ATOM 877 OD1 ASP A 58 -9.988 -2.611 -9.429 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.374 -2.995 -7.310 1.00 0.00 O ATOM 0 H ASP A 58 -7.488 0.684 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.660 0.378 -8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.941 -1.341 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.428 -1.481 -6.833 1.00 0.00 H new ATOM 883 N GLN A 59 -10.500 0.542 -5.777 1.00 0.00 N ATOM 884 CA GLN A 59 -11.633 0.570 -4.858 1.00 0.00 C ATOM 885 C GLN A 59 -12.410 1.876 -4.981 1.00 0.00 C ATOM 886 O GLN A 59 -13.429 2.068 -4.319 1.00 0.00 O ATOM 887 CB GLN A 59 -11.164 0.382 -3.416 1.00 0.00 C ATOM 888 CG GLN A 59 -10.184 -0.767 -3.236 1.00 0.00 C ATOM 889 CD GLN A 59 -10.680 -2.076 -3.815 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.877 -2.353 -3.844 1.00 0.00 O ATOM 891 NE2 GLN A 59 -9.753 -2.886 -4.291 1.00 0.00 N ATOM 0 H GLN A 59 -9.609 0.811 -5.360 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.294 -0.254 -5.127 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.696 1.304 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.033 0.210 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.237 -0.505 -3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.984 -0.901 -2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.770 -2.618 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.020 -3.780 -4.703 1.00 0.00 H new ATOM 900 N GLY A 60 -11.937 2.770 -5.839 1.00 0.00 N ATOM 901 CA GLY A 60 -12.617 4.033 -6.033 1.00 0.00 C ATOM 902 C GLY A 60 -11.746 5.224 -5.690 1.00 0.00 C ATOM 903 O GLY A 60 -12.043 6.350 -6.092 1.00 0.00 O ATOM 0 H GLY A 60 -11.096 2.643 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.940 4.111 -7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.516 4.056 -5.417 1.00 0.00 H new ATOM 907 N GLY A 61 -10.673 4.984 -4.945 1.00 0.00 N ATOM 908 CA GLY A 61 -9.755 6.055 -4.623 1.00 0.00 C ATOM 909 C GLY A 61 -9.151 5.931 -3.241 1.00 0.00 C ATOM 910 O GLY A 61 -9.431 4.978 -2.511 1.00 0.00 O ATOM 0 H GLY A 61 -10.425 4.072 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.954 6.072 -5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.279 7.008 -4.699 1.00 0.00 H new ATOM 914 N LEU A 62 -8.338 6.921 -2.883 1.00 0.00 N ATOM 915 CA LEU A 62 -7.593 6.912 -1.626 1.00 0.00 C ATOM 916 C LEU A 62 -8.528 6.857 -0.423 1.00 0.00 C ATOM 917 O LEU A 62 -8.242 6.188 0.568 1.00 0.00 O ATOM 918 CB LEU A 62 -6.703 8.154 -1.538 1.00 0.00 C ATOM 919 CG LEU A 62 -5.738 8.355 -2.711 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.964 9.650 -2.541 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.782 7.174 -2.841 1.00 0.00 C ATOM 0 H LEU A 62 -8.177 7.751 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.972 6.016 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.342 9.034 -1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.122 8.100 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.324 8.416 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.282 9.780 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.660 10.488 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.393 9.613 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.108 7.342 -3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.201 7.074 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.353 6.261 -3.011 1.00 0.00 H new ATOM 933 N GLU A 63 -9.659 7.537 -0.532 1.00 0.00 N ATOM 934 CA GLU A 63 -10.604 7.632 0.570 1.00 0.00 C ATOM 935 C GLU A 63 -11.413 6.347 0.712 1.00 0.00 C ATOM 936 O GLU A 63 -11.984 6.084 1.764 1.00 0.00 O ATOM 937 CB GLU A 63 -11.554 8.811 0.351 1.00 0.00 C ATOM 938 CG GLU A 63 -10.850 10.123 0.053 1.00 0.00 C ATOM 939 CD GLU A 63 -10.083 10.681 1.235 1.00 0.00 C ATOM 940 OE1 GLU A 63 -9.001 10.150 1.557 1.00 0.00 O ATOM 941 OE2 GLU A 63 -10.545 11.679 1.827 1.00 0.00 O ATOM 0 H GLU A 63 -9.946 8.033 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.035 7.788 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.226 8.575 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.173 8.936 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.162 9.976 -0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.588 10.857 -0.270 1.00 0.00 H new ATOM 948 N ALA A 64 -11.437 5.537 -0.343 1.00 0.00 N ATOM 949 CA ALA A 64 -12.286 4.350 -0.374 1.00 0.00 C ATOM 950 C ALA A 64 -11.877 3.337 0.689 1.00 0.00 C ATOM 951 O ALA A 64 -12.671 2.997 1.566 1.00 0.00 O ATOM 952 CB ALA A 64 -12.259 3.712 -1.753 1.00 0.00 C ATOM 0 H ALA A 64 -10.880 5.680 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.305 4.668 -0.152 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.897 2.829 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.623 4.426 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.238 3.423 -2.000 1.00 0.00 H new ATOM 958 N VAL A 65 -10.628 2.889 0.632 1.00 0.00 N ATOM 959 CA VAL A 65 -10.144 1.867 1.557 1.00 0.00 C ATOM 960 C VAL A 65 -9.920 2.491 2.927 1.00 0.00 C ATOM 961 O VAL A 65 -9.939 1.819 3.959 1.00 0.00 O ATOM 962 CB VAL A 65 -8.838 1.204 1.055 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.938 0.875 -0.423 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.625 2.076 1.332 1.00 0.00 C ATOM 0 H VAL A 65 -9.934 3.214 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.901 1.085 1.623 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.707 0.274 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.010 0.410 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.768 0.188 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.108 1.791 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.727 1.578 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.741 3.033 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.535 2.243 2.405 1.00 0.00 H new ATOM 974 N ARG A 66 -9.739 3.803 2.902 1.00 0.00 N ATOM 975 CA ARG A 66 -9.559 4.605 4.097 1.00 0.00 C ATOM 976 C ARG A 66 -10.854 4.620 4.907 1.00 0.00 C ATOM 977 O ARG A 66 -10.844 4.727 6.135 1.00 0.00 O ATOM 978 CB ARG A 66 -9.170 6.015 3.652 1.00 0.00 C ATOM 979 CG ARG A 66 -8.664 6.934 4.748 1.00 0.00 C ATOM 980 CD ARG A 66 -8.329 8.300 4.170 1.00 0.00 C ATOM 981 NE ARG A 66 -7.462 9.089 5.043 1.00 0.00 N ATOM 982 CZ ARG A 66 -7.010 10.304 4.733 1.00 0.00 C ATOM 983 NH1 ARG A 66 -7.373 10.888 3.593 1.00 0.00 N ATOM 984 NH2 ARG A 66 -6.195 10.941 5.563 1.00 0.00 N ATOM 0 H ARG A 66 -9.713 4.345 2.038 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.777 4.192 4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.399 5.935 2.886 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.037 6.481 3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.420 7.035 5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.780 6.502 5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.842 8.171 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.253 8.850 3.991 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.188 8.687 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.001 10.405 2.950 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.023 11.818 3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.914 10.501 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.849 11.871 5.325 1.00 0.00 H new ATOM 998 N GLN A 67 -11.968 4.483 4.195 1.00 0.00 N ATOM 999 CA GLN A 67 -13.288 4.454 4.802 1.00 0.00 C ATOM 1000 C GLN A 67 -13.670 3.039 5.207 1.00 0.00 C ATOM 1001 O GLN A 67 -14.419 2.850 6.161 1.00 0.00 O ATOM 1002 CB GLN A 67 -14.333 5.006 3.835 1.00 0.00 C ATOM 1003 CG GLN A 67 -14.298 6.517 3.689 1.00 0.00 C ATOM 1004 CD GLN A 67 -14.763 7.235 4.939 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -15.691 6.631 5.663 1.00 0.00 O flip ATOM 1006 NE2 GLN A 67 -14.306 8.334 5.242 1.00 0.00 N flip ATOM 0 H GLN A 67 -11.978 4.389 3.179 1.00 0.00 H new ATOM 0 HA GLN A 67 -13.257 5.079 5.695 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.183 4.552 2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -15.324 4.707 4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.282 6.832 3.451 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -14.928 6.812 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.591 8.768 4.658 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.642 8.813 6.078 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.138 2.044 4.493 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.493 0.646 4.742 1.00 0.00 C ATOM 1017 C GLU A 68 -13.103 0.214 6.142 1.00 0.00 C ATOM 1018 O GLU A 68 -13.632 -0.763 6.665 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.856 -0.285 3.717 1.00 0.00 C ATOM 1020 CG GLU A 68 -13.225 0.070 2.299 1.00 0.00 C ATOM 1021 CD GLU A 68 -13.053 -1.075 1.331 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -13.937 -1.943 1.275 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -12.023 -1.110 0.622 1.00 0.00 O ATOM 0 H GLU A 68 -12.463 2.180 3.741 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.577 0.576 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.772 -0.250 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.164 -1.310 3.922 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.262 0.405 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.611 0.909 1.971 1.00 0.00 H new ATOM 1030 N MET A 69 -12.190 0.958 6.750 1.00 0.00 N ATOM 1031 CA MET A 69 -11.804 0.717 8.134 1.00 0.00 C ATOM 1032 C MET A 69 -12.996 0.896 9.065 1.00 0.00 C ATOM 1033 O MET A 69 -13.102 0.239 10.098 1.00 0.00 O ATOM 1034 CB MET A 69 -10.692 1.665 8.543 1.00 0.00 C ATOM 1035 CG MET A 69 -9.383 1.331 7.874 1.00 0.00 C ATOM 1036 SD MET A 69 -8.021 2.334 8.465 1.00 0.00 S ATOM 1037 CE MET A 69 -6.685 1.416 7.728 1.00 0.00 C ATOM 0 H MET A 69 -11.701 1.735 6.306 1.00 0.00 H new ATOM 0 HA MET A 69 -11.448 -0.310 8.212 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.977 2.686 8.291 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.565 1.628 9.625 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.153 0.279 8.043 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.486 1.466 6.797 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.131 0.891 8.506 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.088 0.693 7.019 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.017 2.101 7.207 1.00 0.00 H new ATOM 1047 N ARG A 70 -13.883 1.805 8.687 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.067 2.099 9.463 1.00 0.00 C ATOM 1049 C ARG A 70 -16.308 1.674 8.686 1.00 0.00 C ATOM 1050 O ARG A 70 -17.440 1.935 9.093 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.123 3.596 9.757 1.00 0.00 C ATOM 1052 CG ARG A 70 -13.890 4.362 9.295 1.00 0.00 C ATOM 1053 CD ARG A 70 -13.904 5.801 9.777 1.00 0.00 C ATOM 1054 NE ARG A 70 -15.191 6.452 9.548 1.00 0.00 N ATOM 1055 CZ ARG A 70 -15.327 7.657 8.999 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -14.262 8.313 8.555 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -16.531 8.199 8.884 1.00 0.00 N ATOM 0 H ARG A 70 -13.797 2.356 7.833 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.032 1.550 10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.004 4.019 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.248 3.741 10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.994 3.864 9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.838 4.344 8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.671 5.827 10.841 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.121 6.360 9.265 1.00 0.00 H new ATOM 0 HE ARG A 70 -16.036 5.953 9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.335 7.894 8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.370 9.236 8.135 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.352 7.693 9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.637 9.122 8.464 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.883 -4.062 4.493 1.00 0.00 N ATOM 1204 CA VAL B 79 -10.215 -3.941 3.198 1.00 0.00 C ATOM 1205 C VAL B 79 -8.859 -4.674 3.152 1.00 0.00 C ATOM 1206 O VAL B 79 -8.447 -5.153 2.093 1.00 0.00 O ATOM 1207 CB VAL B 79 -10.039 -2.442 2.823 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.460 -1.642 3.970 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.166 -2.266 1.597 1.00 0.00 C ATOM 0 HA VAL B 79 -10.856 -4.427 2.462 1.00 0.00 H new ATOM 0 HB VAL B 79 -11.037 -2.065 2.599 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.352 -0.600 3.669 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -10.127 -1.704 4.830 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.483 -2.045 4.238 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -9.069 -1.205 1.369 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.180 -2.688 1.789 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.621 -2.779 0.750 1.00 0.00 H new ATOM 1219 N ALA B 80 -8.195 -4.797 4.303 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.844 -5.366 4.373 1.00 0.00 C ATOM 1221 C ALA B 80 -6.718 -6.716 3.662 1.00 0.00 C ATOM 1222 O ALA B 80 -5.697 -6.991 3.026 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.407 -5.498 5.819 1.00 0.00 C ATOM 0 H ALA B 80 -8.572 -4.509 5.206 1.00 0.00 H new ATOM 0 HA ALA B 80 -6.188 -4.673 3.846 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.403 -5.921 5.859 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.405 -4.515 6.290 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.098 -6.153 6.350 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.744 -7.557 3.748 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.666 -8.887 3.146 1.00 0.00 C ATOM 1231 C GLN B 81 -7.678 -8.796 1.629 1.00 0.00 C ATOM 1232 O GLN B 81 -7.004 -9.566 0.943 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.812 -9.794 3.604 1.00 0.00 C ATOM 1234 CG GLN B 81 -10.189 -9.338 3.143 1.00 0.00 C ATOM 1235 CD GLN B 81 -11.141 -10.497 2.928 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -11.216 -11.055 1.835 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -11.873 -10.868 3.964 1.00 0.00 N ATOM 0 H GLN B 81 -8.624 -7.349 4.219 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.726 -9.325 3.480 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.633 -10.803 3.233 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -8.805 -9.848 4.693 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.610 -8.658 3.884 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -10.090 -8.776 2.214 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -11.781 -10.379 4.854 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -12.530 -11.643 3.873 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.431 -7.834 1.117 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.590 -7.659 -0.316 1.00 0.00 C ATOM 1248 C ARG B 82 -7.281 -7.192 -0.935 1.00 0.00 C ATOM 1249 O ARG B 82 -7.056 -7.317 -2.137 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.697 -6.642 -0.598 1.00 0.00 C ATOM 1251 CG ARG B 82 -10.128 -6.609 -2.054 1.00 0.00 C ATOM 1252 CD ARG B 82 -11.092 -5.467 -2.321 1.00 0.00 C ATOM 1253 NE ARG B 82 -12.187 -5.435 -1.355 1.00 0.00 N ATOM 1254 CZ ARG B 82 -12.529 -4.346 -0.671 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -11.876 -3.209 -0.875 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -13.522 -4.384 0.208 1.00 0.00 N ATOM 0 H ARG B 82 -8.946 -7.157 1.681 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.866 -8.615 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.561 -6.875 0.024 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.352 -5.650 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -9.251 -6.503 -2.692 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -10.601 -7.555 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -10.551 -4.521 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.500 -5.565 -3.327 1.00 0.00 H new ATOM 0 HE ARG B 82 -12.717 -6.292 -1.196 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -11.116 -3.172 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -12.135 -2.372 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -14.031 -5.254 0.365 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -13.776 -3.544 0.727 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.414 -6.680 -0.086 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.153 -6.115 -0.525 1.00 0.00 C ATOM 1272 C LEU B 83 -4.105 -7.203 -0.710 1.00 0.00 C ATOM 1273 O LEU B 83 -3.398 -7.218 -1.717 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.685 -5.063 0.478 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.291 -4.483 0.236 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.165 -3.922 -1.169 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -3.005 -3.403 1.261 1.00 0.00 C ATOM 0 H LEU B 83 -6.561 -6.643 0.923 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.298 -5.635 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.404 -4.243 0.477 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -4.706 -5.504 1.474 1.00 0.00 H new ATOM 0 HG LEU B 83 -2.560 -5.285 0.340 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.163 -3.517 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.341 -4.716 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -3.900 -3.130 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.011 -2.991 1.087 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -3.748 -2.610 1.171 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.050 -3.831 2.263 1.00 0.00 H new ATOM 1289 N MET B 84 -4.023 -8.128 0.244 1.00 0.00 N ATOM 1290 CA MET B 84 -3.065 -9.228 0.147 1.00 0.00 C ATOM 1291 C MET B 84 -3.331 -10.066 -1.095 1.00 0.00 C ATOM 1292 O MET B 84 -2.404 -10.514 -1.764 1.00 0.00 O ATOM 1293 CB MET B 84 -3.115 -10.111 1.393 1.00 0.00 C ATOM 1294 CG MET B 84 -2.273 -9.583 2.538 1.00 0.00 C ATOM 1295 SD MET B 84 -2.366 -10.616 4.010 1.00 0.00 S ATOM 1296 CE MET B 84 -4.051 -10.309 4.521 1.00 0.00 C ATOM 0 H MET B 84 -4.601 -8.139 1.084 1.00 0.00 H new ATOM 0 HA MET B 84 -2.068 -8.793 0.071 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.150 -10.202 1.724 1.00 0.00 H new ATOM 0 HB3 MET B 84 -2.774 -11.113 1.133 1.00 0.00 H new ATOM 0 HG2 MET B 84 -1.234 -9.511 2.216 1.00 0.00 H new ATOM 0 HG3 MET B 84 -2.600 -8.573 2.787 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.184 -10.637 5.552 1.00 0.00 H new ATOM 0 HE2 MET B 84 -4.265 -9.243 4.449 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.734 -10.860 3.874 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.603 -10.242 -1.412 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.004 -10.999 -2.578 1.00 0.00 C ATOM 1308 C GLN B 85 -4.696 -10.215 -3.851 1.00 0.00 C ATOM 1309 O GLN B 85 -4.233 -10.773 -4.841 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.492 -11.329 -2.455 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.265 -11.291 -3.754 1.00 0.00 C ATOM 1312 CD GLN B 85 -8.712 -11.696 -3.566 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -9.033 -12.501 -2.690 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -9.599 -11.136 -4.368 1.00 0.00 N ATOM 0 H GLN B 85 -5.380 -9.865 -0.869 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.443 -11.931 -2.637 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -6.593 -12.323 -2.018 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.948 -10.626 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -7.222 -10.285 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -6.793 -11.957 -4.476 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -9.295 -10.474 -5.082 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -10.588 -11.366 -4.274 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.921 -8.908 -3.790 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.666 -8.020 -4.920 1.00 0.00 C ATOM 1325 C HIS B 86 -3.179 -8.008 -5.274 1.00 0.00 C ATOM 1326 O HIS B 86 -2.802 -7.796 -6.427 1.00 0.00 O ATOM 1327 CB HIS B 86 -5.141 -6.607 -4.568 1.00 0.00 C ATOM 1328 CG HIS B 86 -5.108 -5.636 -5.710 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -6.163 -5.463 -6.580 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.144 -4.776 -6.114 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.849 -4.542 -7.470 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.632 -4.109 -7.212 1.00 0.00 N ATOM 0 H HIS B 86 -5.283 -8.435 -2.962 1.00 0.00 H new ATOM 0 HA HIS B 86 -5.215 -8.382 -5.789 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -6.160 -6.665 -4.187 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.520 -6.219 -3.760 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.174 -4.640 -5.659 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.483 -4.200 -8.275 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.133 -3.394 -7.741 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.345 -8.235 -4.272 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.904 -8.265 -4.461 1.00 0.00 C ATOM 1343 C LEU B 87 -0.442 -9.652 -4.883 1.00 0.00 C ATOM 1344 O LEU B 87 0.331 -9.800 -5.830 1.00 0.00 O ATOM 1345 CB LEU B 87 -0.206 -7.869 -3.167 1.00 0.00 C ATOM 1346 CG LEU B 87 -0.501 -6.454 -2.682 1.00 0.00 C ATOM 1347 CD1 LEU B 87 -0.026 -6.289 -1.252 1.00 0.00 C ATOM 1348 CD2 LEU B 87 0.171 -5.432 -3.585 1.00 0.00 C ATOM 0 H LEU B 87 -2.645 -8.402 -3.312 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.647 -7.557 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.495 -8.572 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU B 87 0.870 -7.972 -3.306 1.00 0.00 H new ATOM 0 HG LEU B 87 -1.578 -6.287 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU B 87 -0.240 -5.276 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU B 87 -0.544 -7.003 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU B 87 1.048 -6.469 -1.202 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.050 -4.427 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU B 87 1.249 -5.592 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.204 -5.543 -4.602 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.930 -10.659 -4.169 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.567 -12.055 -4.424 1.00 0.00 C ATOM 1362 C ALA B 88 -0.737 -12.434 -5.895 1.00 0.00 C ATOM 1363 O ALA B 88 0.088 -13.157 -6.453 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.394 -12.982 -3.546 1.00 0.00 C ATOM 0 H ALA B 88 -1.587 -10.536 -3.398 1.00 0.00 H new ATOM 0 HA ALA B 88 0.489 -12.167 -4.177 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.115 -14.017 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.208 -12.751 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.452 -12.843 -3.766 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.798 -11.931 -6.520 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.071 -12.218 -7.928 1.00 0.00 C ATOM 1372 C GLU B 89 -0.945 -11.731 -8.840 1.00 0.00 C ATOM 1373 O GLU B 89 -0.701 -12.316 -9.893 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.381 -11.566 -8.364 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.601 -12.057 -7.602 1.00 0.00 C ATOM 1376 CD GLU B 89 -4.979 -13.487 -7.937 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -4.234 -14.414 -7.562 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -6.048 -13.690 -8.553 1.00 0.00 O ATOM 0 H GLU B 89 -2.484 -11.322 -6.074 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.146 -13.301 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.297 -10.487 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.531 -11.752 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.408 -11.980 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -5.446 -11.404 -7.821 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.248 -10.676 -8.427 1.00 0.00 N ATOM 1386 CA HIS B 90 0.736 -10.030 -9.295 1.00 0.00 C ATOM 1387 C HIS B 90 2.171 -10.411 -8.933 1.00 0.00 C ATOM 1388 O HIS B 90 3.118 -9.907 -9.537 1.00 0.00 O ATOM 1389 CB HIS B 90 0.581 -8.509 -9.246 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.673 -7.997 -9.889 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.882 -7.695 -9.358 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -0.770 -7.713 -11.232 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.676 -7.235 -10.379 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -1.977 -7.259 -11.498 1.00 0.00 N flip ATOM 0 H HIS B 90 -0.344 -10.252 -7.504 1.00 0.00 H new ATOM 0 HA HIS B 90 0.543 -10.386 -10.307 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.600 -8.187 -8.205 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.440 -8.052 -9.737 1.00 0.00 H new ATOM 0 HD1 HIS B 90 -2.153 -7.792 -8.379 1.00 0.00 H new ATOM 0 HD2 HIS B 90 0.021 -7.842 -11.956 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.701 -6.908 -10.283 1.00 0.00 H new ATOM 1403 N GLY B 91 2.334 -11.280 -7.944 1.00 0.00 N ATOM 1404 CA GLY B 91 3.660 -11.773 -7.604 1.00 0.00 C ATOM 1405 C GLY B 91 4.434 -10.845 -6.684 1.00 0.00 C ATOM 1406 O GLY B 91 5.662 -10.786 -6.742 1.00 0.00 O ATOM 0 H GLY B 91 1.577 -11.653 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.565 -12.748 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.230 -11.921 -8.521 1.00 0.00 H new ATOM 1410 N ILE B 92 3.715 -10.105 -5.851 1.00 0.00 N ATOM 1411 CA ILE B 92 4.328 -9.255 -4.840 1.00 0.00 C ATOM 1412 C ILE B 92 5.188 -10.067 -3.872 1.00 0.00 C ATOM 1413 O ILE B 92 4.831 -11.185 -3.497 1.00 0.00 O ATOM 1414 CB ILE B 92 3.233 -8.477 -4.071 1.00 0.00 C ATOM 1415 CG1 ILE B 92 2.919 -7.180 -4.805 1.00 0.00 C ATOM 1416 CG2 ILE B 92 3.628 -8.198 -2.626 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.214 -7.368 -6.122 1.00 0.00 C ATOM 0 H ILE B 92 2.695 -10.077 -5.857 1.00 0.00 H new ATOM 0 HA ILE B 92 4.983 -8.546 -5.345 1.00 0.00 H new ATOM 0 HB ILE B 92 2.340 -9.101 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.302 -6.553 -4.162 1.00 0.00 H new ATOM 0 HG13 ILE B 92 3.850 -6.640 -4.978 1.00 0.00 H new ATOM 0 HG21 ILE B 92 2.827 -7.650 -2.129 1.00 0.00 H new ATOM 0 HG22 ILE B 92 3.799 -9.141 -2.107 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.541 -7.603 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE B 92 2.029 -6.395 -6.578 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.837 -7.967 -6.786 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.265 -7.878 -5.957 1.00 0.00 H new ATOM 1429 N GLN B 93 6.322 -9.498 -3.471 1.00 0.00 N ATOM 1430 CA GLN B 93 7.227 -10.169 -2.550 1.00 0.00 C ATOM 1431 C GLN B 93 6.923 -9.750 -1.108 1.00 0.00 C ATOM 1432 O GLN B 93 7.113 -8.593 -0.739 1.00 0.00 O ATOM 1433 CB GLN B 93 8.685 -9.837 -2.894 1.00 0.00 C ATOM 1434 CG GLN B 93 9.703 -10.684 -2.137 1.00 0.00 C ATOM 1435 CD GLN B 93 9.931 -12.055 -2.761 1.00 0.00 C ATOM 1436 OE1 GLN B 93 8.933 -12.574 -3.458 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 11.008 -12.638 -2.628 1.00 0.00 N flip ATOM 0 H GLN B 93 6.633 -8.574 -3.771 1.00 0.00 H new ATOM 0 HA GLN B 93 7.080 -11.245 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.836 -9.974 -3.965 1.00 0.00 H new ATOM 0 HB3 GLN B 93 8.869 -8.785 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.652 -10.149 -2.096 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.365 -10.812 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN B 93 11.756 -12.209 -2.084 1.00 0.00 H new ATOM 0 HE22 GLN B 93 11.151 -13.550 -3.062 1.00 0.00 H new