USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=10 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 42 GLN : amide:sc= 0.758 K(o=0.76,f=-4.7!) USER MOD Single : A 17 GLN : amide:sc=-0.000278 K(o=-0.00028,f=-0.88) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.2) USER MOD Single : A 24 ASN : amide:sc= -0.0104 K(o=-0.01,f=-0.97) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 100:sc= 1.26 USER MOD Single : A 44 THR OG1 : rot -77:sc= 1.09 USER MOD Single : A 48 THR OG1 : rot 59:sc= -1.23! USER MOD Single : A 49 SER OG : rot 96:sc= 1.22 USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= -0.0311 (180deg=-0.239) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.651 K(o=-0.65,f=-1.4!) USER MOD Single : A 67 GLN : amide:sc= -0.324 K(o=-0.32,f=-0.95) USER MOD Single : A 69 MET CE :methyl -107:sc= -2.39 (180deg=-3.66!) USER MOD Single : B 81 GLN : amide:sc= -0.0433 K(o=-0.043,f=-1.3!) USER MOD Single : B 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 85 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.79) USER MOD Single : B 86 HIS : no HD1:sc= -0.642! C(o=-0.64!,f=-4.7!) USER MOD Single : B 90 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : B 93 GLN :FLIP amide:sc= -0.372 F(o=-4.3!,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.174 10.497 -2.356 1.00 0.00 N ATOM 169 CA VAL A 12 0.020 9.752 -1.093 1.00 0.00 C ATOM 170 C VAL A 12 1.493 9.512 -0.727 1.00 0.00 C ATOM 171 O VAL A 12 1.806 8.587 0.021 1.00 0.00 O ATOM 172 CB VAL A 12 -0.749 8.410 -1.086 1.00 0.00 C ATOM 173 CG1 VAL A 12 -2.223 8.659 -1.335 1.00 0.00 C ATOM 174 CG2 VAL A 12 -0.200 7.425 -2.106 1.00 0.00 C ATOM 0 HA VAL A 12 -0.395 10.405 -0.325 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.615 7.960 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.759 7.710 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.620 9.305 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.352 9.142 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.773 6.499 -2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.279 7.854 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.846 7.215 -1.883 1.00 0.00 H new ATOM 184 N GLY A 13 2.387 10.370 -1.219 1.00 0.00 N ATOM 185 CA GLY A 13 3.805 10.208 -0.935 1.00 0.00 C ATOM 186 C GLY A 13 4.390 8.968 -1.589 1.00 0.00 C ATOM 187 O GLY A 13 5.394 8.422 -1.125 1.00 0.00 O ATOM 0 H GLY A 13 2.156 11.171 -1.807 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.345 11.088 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.952 10.150 0.143 1.00 0.00 H new ATOM 191 N TRP A 14 3.760 8.534 -2.672 1.00 0.00 N ATOM 192 CA TRP A 14 4.169 7.332 -3.380 1.00 0.00 C ATOM 193 C TRP A 14 5.148 7.662 -4.504 1.00 0.00 C ATOM 194 O TRP A 14 4.948 8.608 -5.269 1.00 0.00 O ATOM 195 CB TRP A 14 2.927 6.626 -3.941 1.00 0.00 C ATOM 196 CG TRP A 14 3.226 5.431 -4.798 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.561 4.177 -4.374 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.202 5.379 -6.230 1.00 0.00 C ATOM 199 NE1 TRP A 14 3.757 3.352 -5.455 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.542 4.065 -6.603 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.928 6.316 -7.232 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.613 3.668 -7.934 1.00 0.00 C ATOM 203 CZ3 TRP A 14 3.001 5.918 -8.553 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.342 4.602 -8.893 1.00 0.00 C ATOM 0 H TRP A 14 2.954 9.005 -3.082 1.00 0.00 H new ATOM 0 HA TRP A 14 4.680 6.669 -2.681 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.296 6.312 -3.109 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.350 7.342 -4.526 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.658 3.878 -3.341 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.020 2.368 -5.409 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.664 7.332 -6.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.874 2.654 -8.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.792 6.632 -9.336 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.392 4.321 -9.935 1.00 0.00 H new ATOM 215 N ASP A 15 6.213 6.881 -4.577 1.00 0.00 N ATOM 216 CA ASP A 15 7.187 6.983 -5.650 1.00 0.00 C ATOM 217 C ASP A 15 7.135 5.706 -6.485 1.00 0.00 C ATOM 218 O ASP A 15 7.075 4.609 -5.942 1.00 0.00 O ATOM 219 CB ASP A 15 8.594 7.186 -5.071 1.00 0.00 C ATOM 220 CG ASP A 15 9.666 7.244 -6.140 1.00 0.00 C ATOM 221 OD1 ASP A 15 10.198 6.177 -6.514 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.987 8.359 -6.611 1.00 0.00 O ATOM 0 H ASP A 15 6.427 6.156 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 15 6.952 7.841 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.614 8.110 -4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.819 6.373 -4.381 1.00 0.00 H new ATOM 227 N PRO A 16 7.139 5.842 -7.821 1.00 0.00 N ATOM 228 CA PRO A 16 6.997 4.710 -8.755 1.00 0.00 C ATOM 229 C PRO A 16 8.052 3.616 -8.572 1.00 0.00 C ATOM 230 O PRO A 16 7.821 2.462 -8.934 1.00 0.00 O ATOM 231 CB PRO A 16 7.143 5.360 -10.139 1.00 0.00 C ATOM 232 CG PRO A 16 7.753 6.696 -9.885 1.00 0.00 C ATOM 233 CD PRO A 16 7.266 7.119 -8.534 1.00 0.00 C ATOM 0 HA PRO A 16 6.049 4.197 -8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.774 4.757 -10.792 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.176 5.457 -10.632 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.841 6.639 -9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.455 7.413 -10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.970 7.789 -8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.314 7.646 -8.594 1.00 0.00 H new ATOM 241 N GLN A 17 9.208 3.975 -8.027 1.00 0.00 N ATOM 242 CA GLN A 17 10.284 3.012 -7.836 1.00 0.00 C ATOM 243 C GLN A 17 10.406 2.593 -6.376 1.00 0.00 C ATOM 244 O GLN A 17 10.474 1.407 -6.064 1.00 0.00 O ATOM 245 CB GLN A 17 11.614 3.585 -8.311 1.00 0.00 C ATOM 246 CG GLN A 17 11.603 4.070 -9.752 1.00 0.00 C ATOM 247 CD GLN A 17 12.974 4.513 -10.223 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.993 3.998 -9.766 1.00 0.00 O ATOM 249 NE2 GLN A 17 13.011 5.470 -11.133 1.00 0.00 N ATOM 0 H GLN A 17 9.423 4.921 -7.711 1.00 0.00 H new ATOM 0 HA GLN A 17 10.037 2.133 -8.431 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.892 4.415 -7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.385 2.823 -8.202 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.240 3.271 -10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.903 4.900 -9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.143 5.871 -11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.908 5.808 -11.482 1.00 0.00 H new ATOM 258 N ASN A 18 10.440 3.577 -5.482 1.00 0.00 N ATOM 259 CA ASN A 18 10.685 3.317 -4.063 1.00 0.00 C ATOM 260 C ASN A 18 9.399 3.040 -3.299 1.00 0.00 C ATOM 261 O ASN A 18 9.435 2.711 -2.116 1.00 0.00 O ATOM 262 CB ASN A 18 11.433 4.485 -3.425 1.00 0.00 C ATOM 263 CG ASN A 18 12.914 4.466 -3.750 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.342 4.950 -4.797 1.00 0.00 O ATOM 265 ND2 ASN A 18 13.713 3.935 -2.839 1.00 0.00 N ATOM 0 H ASN A 18 10.301 4.561 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 18 11.302 2.420 -4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.999 5.423 -3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.300 4.452 -2.344 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.721 3.917 -2.993 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.321 3.543 -1.983 1.00 0.00 H new ATOM 272 N GLY A 19 8.269 3.189 -3.967 1.00 0.00 N ATOM 273 CA GLY A 19 7.002 2.857 -3.362 1.00 0.00 C ATOM 274 C GLY A 19 6.502 3.927 -2.419 1.00 0.00 C ATOM 275 O GLY A 19 6.730 5.117 -2.636 1.00 0.00 O ATOM 0 H GLY A 19 8.208 3.536 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.262 2.696 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.100 1.917 -2.818 1.00 0.00 H new ATOM 279 N PHE A 20 5.828 3.501 -1.368 1.00 0.00 N ATOM 280 CA PHE A 20 5.267 4.420 -0.393 1.00 0.00 C ATOM 281 C PHE A 20 6.343 4.866 0.581 1.00 0.00 C ATOM 282 O PHE A 20 7.014 4.039 1.198 1.00 0.00 O ATOM 283 CB PHE A 20 4.121 3.762 0.382 1.00 0.00 C ATOM 284 CG PHE A 20 2.893 3.487 -0.437 1.00 0.00 C ATOM 285 CD1 PHE A 20 1.950 4.479 -0.648 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.675 2.234 -0.981 1.00 0.00 C ATOM 287 CE1 PHE A 20 0.812 4.227 -1.390 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.538 1.975 -1.720 1.00 0.00 C ATOM 289 CZ PHE A 20 0.606 2.972 -1.926 1.00 0.00 C ATOM 0 H PHE A 20 5.654 2.517 -1.166 1.00 0.00 H new ATOM 0 HA PHE A 20 4.877 5.285 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.478 2.823 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.848 4.406 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.106 5.461 -0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.402 1.450 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.086 5.010 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.378 0.992 -2.137 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.283 2.770 -2.506 1.00 0.00 H new ATOM 299 N ASP A 21 6.515 6.172 0.708 1.00 0.00 N ATOM 300 CA ASP A 21 7.462 6.711 1.670 1.00 0.00 C ATOM 301 C ASP A 21 6.964 6.421 3.079 1.00 0.00 C ATOM 302 O ASP A 21 6.054 7.082 3.575 1.00 0.00 O ATOM 303 CB ASP A 21 7.640 8.213 1.467 1.00 0.00 C ATOM 304 CG ASP A 21 8.829 8.749 2.230 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.775 8.797 3.471 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.831 9.121 1.580 1.00 0.00 O ATOM 0 H ASP A 21 6.015 6.874 0.162 1.00 0.00 H new ATOM 0 HA ASP A 21 8.432 6.235 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.766 8.423 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.738 8.732 1.790 1.00 0.00 H new ATOM 311 N VAL A 22 7.561 5.418 3.709 1.00 0.00 N ATOM 312 CA VAL A 22 7.079 4.896 4.985 1.00 0.00 C ATOM 313 C VAL A 22 7.144 5.914 6.123 1.00 0.00 C ATOM 314 O VAL A 22 6.341 5.846 7.055 1.00 0.00 O ATOM 315 CB VAL A 22 7.840 3.616 5.388 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.477 2.473 4.452 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.346 3.844 5.382 1.00 0.00 C ATOM 0 H VAL A 22 8.391 4.943 3.353 1.00 0.00 H new ATOM 0 HA VAL A 22 6.027 4.660 4.824 1.00 0.00 H new ATOM 0 HB VAL A 22 7.544 3.353 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.020 1.575 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.405 2.283 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.745 2.741 3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.854 2.924 5.670 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.666 4.137 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.597 4.634 6.090 1.00 0.00 H new ATOM 327 N ASN A 23 8.068 6.861 6.052 1.00 0.00 N ATOM 328 CA ASN A 23 8.195 7.857 7.113 1.00 0.00 C ATOM 329 C ASN A 23 7.346 9.087 6.805 1.00 0.00 C ATOM 330 O ASN A 23 7.229 9.999 7.625 1.00 0.00 O ATOM 331 CB ASN A 23 9.662 8.249 7.342 1.00 0.00 C ATOM 332 CG ASN A 23 10.364 8.715 6.082 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.966 7.915 5.361 1.00 0.00 O ATOM 334 ND2 ASN A 23 10.311 10.010 5.816 1.00 0.00 N ATOM 0 H ASN A 23 8.733 6.963 5.285 1.00 0.00 H new ATOM 0 HA ASN A 23 7.826 7.408 8.035 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.706 9.042 8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.199 7.394 7.753 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.779 10.380 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.802 10.638 6.438 1.00 0.00 H new ATOM 341 N ASN A 24 6.751 9.100 5.619 1.00 0.00 N ATOM 342 CA ASN A 24 5.821 10.154 5.227 1.00 0.00 C ATOM 343 C ASN A 24 4.456 9.556 4.907 1.00 0.00 C ATOM 344 O ASN A 24 3.649 10.157 4.194 1.00 0.00 O ATOM 345 CB ASN A 24 6.350 10.930 4.016 1.00 0.00 C ATOM 346 CG ASN A 24 7.479 11.883 4.367 1.00 0.00 C ATOM 347 OD1 ASN A 24 7.506 12.464 5.452 1.00 0.00 O ATOM 348 ND2 ASN A 24 8.424 12.049 3.454 1.00 0.00 N ATOM 0 H ASN A 24 6.897 8.386 4.905 1.00 0.00 H new ATOM 0 HA ASN A 24 5.722 10.848 6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.700 10.223 3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.532 11.494 3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.208 12.675 3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.368 11.551 2.566 1.00 0.00 H new ATOM 355 N LEU A 25 4.208 8.367 5.442 1.00 0.00 N ATOM 356 CA LEU A 25 2.956 7.655 5.211 1.00 0.00 C ATOM 357 C LEU A 25 1.785 8.337 5.911 1.00 0.00 C ATOM 358 O LEU A 25 1.910 8.813 7.044 1.00 0.00 O ATOM 359 CB LEU A 25 3.067 6.205 5.701 1.00 0.00 C ATOM 360 CG LEU A 25 3.660 5.205 4.708 1.00 0.00 C ATOM 361 CD1 LEU A 25 3.798 3.839 5.357 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.789 5.110 3.468 1.00 0.00 C ATOM 0 H LEU A 25 4.864 7.871 6.045 1.00 0.00 H new ATOM 0 HA LEU A 25 2.769 7.666 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.676 6.194 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.072 5.860 5.983 1.00 0.00 H new ATOM 0 HG LEU A 25 4.649 5.555 4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.221 3.136 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.455 3.913 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.817 3.486 5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.225 4.394 2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.789 4.779 3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.727 6.088 2.991 1.00 0.00 H new ATOM 374 N ASP A 26 0.658 8.396 5.209 1.00 0.00 N ATOM 375 CA ASP A 26 -0.600 8.875 5.779 1.00 0.00 C ATOM 376 C ASP A 26 -1.043 7.943 6.899 1.00 0.00 C ATOM 377 O ASP A 26 -0.878 6.730 6.774 1.00 0.00 O ATOM 378 CB ASP A 26 -1.680 8.937 4.686 1.00 0.00 C ATOM 379 CG ASP A 26 -3.061 9.307 5.205 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.727 8.451 5.824 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.506 10.446 4.959 1.00 0.00 O ATOM 0 H ASP A 26 0.589 8.114 4.231 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.452 9.876 6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.379 9.664 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.737 7.968 4.189 1.00 0.00 H new ATOM 386 N PRO A 27 -1.560 8.485 8.013 1.00 0.00 N ATOM 387 CA PRO A 27 -1.980 7.689 9.173 1.00 0.00 C ATOM 388 C PRO A 27 -2.737 6.412 8.799 1.00 0.00 C ATOM 389 O PRO A 27 -2.383 5.318 9.254 1.00 0.00 O ATOM 390 CB PRO A 27 -2.888 8.653 9.932 1.00 0.00 C ATOM 391 CG PRO A 27 -2.312 9.997 9.646 1.00 0.00 C ATOM 392 CD PRO A 27 -1.769 9.929 8.241 1.00 0.00 C ATOM 0 HA PRO A 27 -1.125 7.328 9.745 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.920 8.581 9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.891 8.440 11.001 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.072 10.773 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.523 10.242 10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.470 10.350 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.838 10.488 8.144 1.00 0.00 H new ATOM 400 N ASP A 28 -3.744 6.544 7.940 1.00 0.00 N ATOM 401 CA ASP A 28 -4.561 5.401 7.546 1.00 0.00 C ATOM 402 C ASP A 28 -3.750 4.431 6.698 1.00 0.00 C ATOM 403 O ASP A 28 -3.871 3.218 6.850 1.00 0.00 O ATOM 404 CB ASP A 28 -5.811 5.843 6.775 1.00 0.00 C ATOM 405 CG ASP A 28 -6.850 6.519 7.651 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.730 5.816 8.199 1.00 0.00 O ATOM 407 OD2 ASP A 28 -6.785 7.756 7.818 1.00 0.00 O ATOM 0 H ASP A 28 -4.013 7.427 7.505 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.882 4.899 8.459 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.516 6.528 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.260 4.973 6.296 1.00 0.00 H new ATOM 412 N LEU A 29 -2.916 4.963 5.812 1.00 0.00 N ATOM 413 CA LEU A 29 -2.051 4.124 4.995 1.00 0.00 C ATOM 414 C LEU A 29 -1.083 3.347 5.881 1.00 0.00 C ATOM 415 O LEU A 29 -0.892 2.144 5.705 1.00 0.00 O ATOM 416 CB LEU A 29 -1.270 4.972 3.997 1.00 0.00 C ATOM 417 CG LEU A 29 -2.121 5.790 3.027 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.224 6.592 2.104 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.043 4.886 2.224 1.00 0.00 C ATOM 0 H LEU A 29 -2.821 5.964 5.642 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.675 3.420 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.625 5.653 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.619 4.316 3.419 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.741 6.478 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.837 7.173 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.604 7.266 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.585 5.914 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.639 5.490 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.447 4.173 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.704 4.346 2.902 1.00 0.00 H new ATOM 431 N ARG A 30 -0.493 4.051 6.843 1.00 0.00 N ATOM 432 CA ARG A 30 0.439 3.452 7.793 1.00 0.00 C ATOM 433 C ARG A 30 -0.232 2.300 8.536 1.00 0.00 C ATOM 434 O ARG A 30 0.377 1.257 8.781 1.00 0.00 O ATOM 435 CB ARG A 30 0.913 4.509 8.800 1.00 0.00 C ATOM 436 CG ARG A 30 1.963 4.003 9.781 1.00 0.00 C ATOM 437 CD ARG A 30 3.297 3.721 9.100 1.00 0.00 C ATOM 438 NE ARG A 30 4.257 3.098 10.017 1.00 0.00 N ATOM 439 CZ ARG A 30 5.525 2.816 9.707 1.00 0.00 C ATOM 440 NH1 ARG A 30 6.038 3.202 8.544 1.00 0.00 N ATOM 441 NH2 ARG A 30 6.297 2.172 10.577 1.00 0.00 N ATOM 0 H ARG A 30 -0.647 5.049 6.986 1.00 0.00 H new ATOM 0 HA ARG A 30 1.298 3.068 7.244 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.321 5.359 8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.052 4.874 9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.108 4.742 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.602 3.093 10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.136 3.067 8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.713 4.653 8.716 1.00 0.00 H new ATOM 0 HE ARG A 30 3.934 2.864 10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.462 3.718 7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.008 2.982 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.921 1.892 11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.265 1.957 10.338 1.00 0.00 H new ATOM 455 N SER A 31 -1.496 2.497 8.881 1.00 0.00 N ATOM 456 CA SER A 31 -2.256 1.496 9.605 1.00 0.00 C ATOM 457 C SER A 31 -2.623 0.332 8.684 1.00 0.00 C ATOM 458 O SER A 31 -2.417 -0.832 9.029 1.00 0.00 O ATOM 459 CB SER A 31 -3.526 2.124 10.188 1.00 0.00 C ATOM 460 OG SER A 31 -3.971 1.416 11.337 1.00 0.00 O ATOM 0 H SER A 31 -2.017 3.348 8.668 1.00 0.00 H new ATOM 0 HA SER A 31 -1.641 1.113 10.419 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.332 3.164 10.451 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.312 2.127 9.433 1.00 0.00 H new ATOM 0 HG SER A 31 -4.782 1.840 11.689 1.00 0.00 H new ATOM 466 N LEU A 32 -3.146 0.658 7.505 1.00 0.00 N ATOM 467 CA LEU A 32 -3.660 -0.349 6.587 1.00 0.00 C ATOM 468 C LEU A 32 -2.602 -1.336 6.150 1.00 0.00 C ATOM 469 O LEU A 32 -2.766 -2.542 6.301 1.00 0.00 O ATOM 470 CB LEU A 32 -4.237 0.285 5.326 1.00 0.00 C ATOM 471 CG LEU A 32 -4.640 -0.742 4.274 1.00 0.00 C ATOM 472 CD1 LEU A 32 -5.661 -1.700 4.849 1.00 0.00 C ATOM 473 CD2 LEU A 32 -5.174 -0.085 3.018 1.00 0.00 C ATOM 0 H LEU A 32 -3.224 1.616 7.164 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.436 -0.872 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.107 0.884 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.501 0.965 4.898 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.746 -1.298 3.992 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.943 -2.430 4.090 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.232 -2.216 5.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.544 -1.144 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.449 -0.853 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.052 0.512 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.406 0.559 2.589 1.00 0.00 H new ATOM 485 N PHE A 33 -1.535 -0.817 5.577 1.00 0.00 N ATOM 486 CA PHE A 33 -0.534 -1.656 4.946 1.00 0.00 C ATOM 487 C PHE A 33 0.060 -2.625 5.960 1.00 0.00 C ATOM 488 O PHE A 33 0.359 -3.774 5.639 1.00 0.00 O ATOM 489 CB PHE A 33 0.549 -0.790 4.307 1.00 0.00 C ATOM 490 CG PHE A 33 0.017 0.237 3.333 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.187 0.041 2.654 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.727 1.405 3.093 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.654 0.988 1.766 1.00 0.00 C ATOM 494 CE2 PHE A 33 0.260 2.348 2.200 1.00 0.00 C ATOM 495 CZ PHE A 33 -0.930 2.138 1.536 1.00 0.00 C ATOM 0 H PHE A 33 -1.338 0.183 5.535 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.006 -2.244 4.159 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.102 -0.278 5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.258 -1.436 3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.758 -0.860 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.658 1.578 3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.589 0.828 1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.826 3.250 2.021 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.295 2.875 0.836 1.00 0.00 H new ATOM 505 N SER A 34 0.179 -2.162 7.197 1.00 0.00 N ATOM 506 CA SER A 34 0.623 -3.002 8.295 1.00 0.00 C ATOM 507 C SER A 34 -0.381 -4.126 8.564 1.00 0.00 C ATOM 508 O SER A 34 0.000 -5.276 8.788 1.00 0.00 O ATOM 509 CB SER A 34 0.810 -2.143 9.536 1.00 0.00 C ATOM 510 OG SER A 34 1.711 -1.074 9.280 1.00 0.00 O ATOM 0 H SER A 34 -0.029 -1.200 7.464 1.00 0.00 H new ATOM 0 HA SER A 34 1.573 -3.465 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.153 -1.744 9.856 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.189 -2.756 10.354 1.00 0.00 H new ATOM 0 HG SER A 34 1.204 -0.251 9.119 1.00 0.00 H new ATOM 516 N ARG A 35 -1.664 -3.785 8.523 1.00 0.00 N ATOM 517 CA ARG A 35 -2.736 -4.762 8.698 1.00 0.00 C ATOM 518 C ARG A 35 -2.741 -5.776 7.563 1.00 0.00 C ATOM 519 O ARG A 35 -2.954 -6.970 7.778 1.00 0.00 O ATOM 520 CB ARG A 35 -4.086 -4.053 8.752 1.00 0.00 C ATOM 521 CG ARG A 35 -4.314 -3.322 10.051 1.00 0.00 C ATOM 522 CD ARG A 35 -5.373 -2.239 9.916 1.00 0.00 C ATOM 523 NE ARG A 35 -6.711 -2.783 9.673 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.717 -2.701 10.548 1.00 0.00 C ATOM 525 NH1 ARG A 35 -7.524 -2.146 11.741 1.00 0.00 N ATOM 526 NH2 ARG A 35 -8.910 -3.188 10.236 1.00 0.00 N ATOM 0 H ARG A 35 -1.990 -2.831 8.369 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.562 -5.290 9.636 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.152 -3.345 7.926 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.881 -4.785 8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.618 -4.033 10.819 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.378 -2.874 10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.389 -1.638 10.825 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.102 -1.572 9.097 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.885 -3.252 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.605 -1.781 11.991 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.295 -2.085 12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.060 -3.626 9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.677 -3.125 10.905 1.00 0.00 H new ATOM 540 N ALA A 36 -2.487 -5.284 6.358 1.00 0.00 N ATOM 541 CA ALA A 36 -2.517 -6.105 5.153 1.00 0.00 C ATOM 542 C ALA A 36 -1.348 -7.085 5.104 1.00 0.00 C ATOM 543 O ALA A 36 -1.340 -8.014 4.300 1.00 0.00 O ATOM 544 CB ALA A 36 -2.514 -5.212 3.920 1.00 0.00 C ATOM 0 H ALA A 36 -2.254 -4.306 6.187 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.433 -6.695 5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.536 -5.830 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.391 -4.565 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.612 -4.600 3.916 1.00 0.00 H new ATOM 550 N GLY A 37 -0.360 -6.870 5.959 1.00 0.00 N ATOM 551 CA GLY A 37 0.793 -7.749 5.992 1.00 0.00 C ATOM 552 C GLY A 37 1.970 -7.149 5.263 1.00 0.00 C ATOM 553 O GLY A 37 3.104 -7.607 5.409 1.00 0.00 O ATOM 0 H GLY A 37 -0.335 -6.103 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.069 -7.949 7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.534 -8.707 5.540 1.00 0.00 H new ATOM 557 N ILE A 38 1.687 -6.122 4.475 1.00 0.00 N ATOM 558 CA ILE A 38 2.706 -5.401 3.740 1.00 0.00 C ATOM 559 C ILE A 38 3.655 -4.701 4.706 1.00 0.00 C ATOM 560 O ILE A 38 3.295 -3.710 5.342 1.00 0.00 O ATOM 561 CB ILE A 38 2.070 -4.343 2.819 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.895 -4.942 2.041 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.111 -3.793 1.860 1.00 0.00 C ATOM 564 CD1 ILE A 38 -0.064 -3.903 1.513 1.00 0.00 C ATOM 0 H ILE A 38 0.742 -5.768 4.330 1.00 0.00 H new ATOM 0 HA ILE A 38 3.256 -6.123 3.136 1.00 0.00 H new ATOM 0 HB ILE A 38 1.693 -3.527 3.436 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.282 -5.527 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.353 -5.631 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.651 -3.046 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.921 -3.334 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.509 -4.604 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.872 -4.395 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.478 -3.334 2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.465 -3.228 0.840 1.00 0.00 H new ATOM 576 N SER A 39 4.855 -5.230 4.828 1.00 0.00 N ATOM 577 CA SER A 39 5.851 -4.640 5.699 1.00 0.00 C ATOM 578 C SER A 39 6.481 -3.417 5.033 1.00 0.00 C ATOM 579 O SER A 39 6.269 -3.183 3.842 1.00 0.00 O ATOM 580 CB SER A 39 6.902 -5.682 6.050 1.00 0.00 C ATOM 581 OG SER A 39 6.280 -6.877 6.495 1.00 0.00 O ATOM 0 H SER A 39 5.165 -6.068 4.335 1.00 0.00 H new ATOM 0 HA SER A 39 5.376 -4.306 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.523 -5.890 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.562 -5.296 6.827 1.00 0.00 H new ATOM 0 HG SER A 39 6.967 -7.540 6.716 1.00 0.00 H new ATOM 587 N GLU A 40 7.259 -2.650 5.784 1.00 0.00 N ATOM 588 CA GLU A 40 7.833 -1.413 5.267 1.00 0.00 C ATOM 589 C GLU A 40 8.812 -1.693 4.129 1.00 0.00 C ATOM 590 O GLU A 40 9.018 -0.853 3.252 1.00 0.00 O ATOM 591 CB GLU A 40 8.502 -0.632 6.395 1.00 0.00 C ATOM 592 CG GLU A 40 7.510 -0.145 7.441 1.00 0.00 C ATOM 593 CD GLU A 40 8.172 0.557 8.603 1.00 0.00 C ATOM 594 OE1 GLU A 40 8.536 1.740 8.458 1.00 0.00 O ATOM 595 OE2 GLU A 40 8.355 -0.077 9.664 1.00 0.00 O ATOM 0 H GLU A 40 7.507 -2.861 6.751 1.00 0.00 H new ATOM 0 HA GLU A 40 7.028 -0.803 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.249 -1.264 6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.030 0.224 5.975 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.799 0.535 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.939 -0.995 7.815 1.00 0.00 H new ATOM 602 N ALA A 41 9.404 -2.882 4.132 1.00 0.00 N ATOM 603 CA ALA A 41 10.234 -3.320 3.019 1.00 0.00 C ATOM 604 C ALA A 41 9.384 -3.465 1.758 1.00 0.00 C ATOM 605 O ALA A 41 9.754 -3.014 0.678 1.00 0.00 O ATOM 606 CB ALA A 41 10.925 -4.635 3.350 1.00 0.00 C ATOM 0 H ALA A 41 9.324 -3.558 4.892 1.00 0.00 H new ATOM 0 HA ALA A 41 11.002 -2.568 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.540 -4.945 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.555 -4.503 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.175 -5.399 3.552 1.00 0.00 H new ATOM 612 N GLN A 42 8.225 -4.073 1.912 1.00 0.00 N ATOM 613 CA GLN A 42 7.308 -4.254 0.800 1.00 0.00 C ATOM 614 C GLN A 42 6.725 -2.912 0.354 1.00 0.00 C ATOM 615 O GLN A 42 6.365 -2.739 -0.805 1.00 0.00 O ATOM 616 CB GLN A 42 6.184 -5.208 1.183 1.00 0.00 C ATOM 617 CG GLN A 42 6.666 -6.600 1.544 1.00 0.00 C ATOM 618 CD GLN A 42 5.529 -7.518 1.941 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.165 -7.599 3.113 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.975 -8.224 0.970 1.00 0.00 N ATOM 0 H GLN A 42 7.893 -4.452 2.799 1.00 0.00 H new ATOM 0 HA GLN A 42 7.867 -4.684 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.637 -4.791 2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.481 -5.280 0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.197 -7.030 0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.380 -6.533 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.310 -8.124 0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.213 -8.869 1.179 1.00 0.00 H new ATOM 629 N LEU A 43 6.636 -1.968 1.285 1.00 0.00 N ATOM 630 CA LEU A 43 6.175 -0.621 0.961 1.00 0.00 C ATOM 631 C LEU A 43 7.267 0.173 0.262 1.00 0.00 C ATOM 632 O LEU A 43 7.009 1.230 -0.308 1.00 0.00 O ATOM 633 CB LEU A 43 5.717 0.124 2.212 1.00 0.00 C ATOM 634 CG LEU A 43 4.405 -0.373 2.816 1.00 0.00 C ATOM 635 CD1 LEU A 43 4.027 0.456 4.030 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.304 -0.316 1.773 1.00 0.00 C ATOM 0 H LEU A 43 6.876 -2.109 2.266 1.00 0.00 H new ATOM 0 HA LEU A 43 5.325 -0.723 0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.499 0.049 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.610 1.181 1.968 1.00 0.00 H new ATOM 0 HG LEU A 43 4.536 -1.406 3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.090 0.086 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.813 0.379 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.907 1.499 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.371 -0.672 2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.177 0.712 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.572 -0.947 0.926 1.00 0.00 H new ATOM 648 N THR A 44 8.484 -0.334 0.318 1.00 0.00 N ATOM 649 CA THR A 44 9.581 0.256 -0.419 1.00 0.00 C ATOM 650 C THR A 44 9.963 -0.652 -1.588 1.00 0.00 C ATOM 651 O THR A 44 11.063 -0.572 -2.137 1.00 0.00 O ATOM 652 CB THR A 44 10.797 0.532 0.494 1.00 0.00 C ATOM 653 OG1 THR A 44 11.024 -0.577 1.381 1.00 0.00 O ATOM 654 CG2 THR A 44 10.583 1.798 1.313 1.00 0.00 C ATOM 0 H THR A 44 8.736 -1.155 0.868 1.00 0.00 H new ATOM 0 HA THR A 44 9.255 1.219 -0.811 1.00 0.00 H new ATOM 0 HB THR A 44 11.670 0.666 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.371 -0.550 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.452 1.972 1.948 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.448 2.647 0.642 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.696 1.683 1.936 1.00 0.00 H new ATOM 662 N ASP A 45 9.032 -1.538 -1.934 1.00 0.00 N ATOM 663 CA ASP A 45 9.169 -2.421 -3.090 1.00 0.00 C ATOM 664 C ASP A 45 8.576 -1.763 -4.334 1.00 0.00 C ATOM 665 O ASP A 45 7.713 -0.893 -4.219 1.00 0.00 O ATOM 666 CB ASP A 45 8.450 -3.743 -2.825 1.00 0.00 C ATOM 667 CG ASP A 45 8.650 -4.757 -3.930 1.00 0.00 C ATOM 668 OD1 ASP A 45 9.722 -5.398 -3.966 1.00 0.00 O ATOM 669 OD2 ASP A 45 7.741 -4.902 -4.773 1.00 0.00 O ATOM 0 H ASP A 45 8.160 -1.664 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 45 10.229 -2.610 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.808 -4.163 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.384 -3.552 -2.703 1.00 0.00 H new ATOM 674 N ALA A 46 9.014 -2.188 -5.512 1.00 0.00 N ATOM 675 CA ALA A 46 8.549 -1.584 -6.751 1.00 0.00 C ATOM 676 C ALA A 46 7.137 -2.050 -7.113 1.00 0.00 C ATOM 677 O ALA A 46 6.183 -1.266 -7.035 1.00 0.00 O ATOM 678 CB ALA A 46 9.521 -1.874 -7.884 1.00 0.00 C ATOM 0 H ALA A 46 9.687 -2.945 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 46 8.506 -0.506 -6.597 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.157 -1.414 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.500 -1.464 -7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.604 -2.952 -8.026 1.00 0.00 H new ATOM 684 N GLU A 47 6.992 -3.328 -7.481 1.00 0.00 N ATOM 685 CA GLU A 47 5.697 -3.840 -7.929 1.00 0.00 C ATOM 686 C GLU A 47 4.686 -3.857 -6.796 1.00 0.00 C ATOM 687 O GLU A 47 3.514 -3.544 -7.008 1.00 0.00 O ATOM 688 CB GLU A 47 5.796 -5.238 -8.562 1.00 0.00 C ATOM 689 CG GLU A 47 6.662 -6.232 -7.807 1.00 0.00 C ATOM 690 CD GLU A 47 8.119 -6.132 -8.209 1.00 0.00 C ATOM 691 OE1 GLU A 47 8.513 -6.792 -9.189 1.00 0.00 O ATOM 692 OE2 GLU A 47 8.873 -5.379 -7.568 1.00 0.00 O ATOM 0 H GLU A 47 7.745 -4.016 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 47 5.355 -3.152 -8.702 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.791 -5.651 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.188 -5.134 -9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.568 -6.055 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.302 -7.243 -7.995 1.00 0.00 H new ATOM 699 N THR A 48 5.134 -4.212 -5.596 1.00 0.00 N ATOM 700 CA THR A 48 4.245 -4.264 -4.445 1.00 0.00 C ATOM 701 C THR A 48 3.550 -2.923 -4.219 1.00 0.00 C ATOM 702 O THR A 48 2.327 -2.834 -4.294 1.00 0.00 O ATOM 703 CB THR A 48 4.997 -4.673 -3.163 1.00 0.00 C ATOM 704 OG1 THR A 48 5.744 -5.872 -3.404 1.00 0.00 O ATOM 705 CG2 THR A 48 4.019 -4.897 -2.017 1.00 0.00 C ATOM 0 H THR A 48 6.102 -4.466 -5.398 1.00 0.00 H new ATOM 0 HA THR A 48 3.493 -5.022 -4.665 1.00 0.00 H new ATOM 0 HB THR A 48 5.678 -3.869 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.380 -5.720 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.568 -5.185 -1.121 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.467 -3.977 -1.824 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.320 -5.690 -2.285 1.00 0.00 H new ATOM 713 N SER A 49 4.335 -1.882 -3.986 1.00 0.00 N ATOM 714 CA SER A 49 3.793 -0.570 -3.660 1.00 0.00 C ATOM 715 C SER A 49 2.950 -0.003 -4.798 1.00 0.00 C ATOM 716 O SER A 49 1.907 0.611 -4.565 1.00 0.00 O ATOM 717 CB SER A 49 4.930 0.382 -3.336 1.00 0.00 C ATOM 718 OG SER A 49 5.841 -0.216 -2.441 1.00 0.00 O ATOM 0 H SER A 49 5.354 -1.920 -4.017 1.00 0.00 H new ATOM 0 HA SER A 49 3.142 -0.682 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.446 0.665 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.531 1.297 -2.899 1.00 0.00 H new ATOM 0 HG SER A 49 6.584 -0.608 -2.945 1.00 0.00 H new ATOM 724 N LYS A 50 3.403 -0.208 -6.030 1.00 0.00 N ATOM 725 CA LYS A 50 2.683 0.284 -7.194 1.00 0.00 C ATOM 726 C LYS A 50 1.302 -0.350 -7.268 1.00 0.00 C ATOM 727 O LYS A 50 0.315 0.313 -7.581 1.00 0.00 O ATOM 728 CB LYS A 50 3.466 -0.016 -8.475 1.00 0.00 C ATOM 729 CG LYS A 50 2.840 0.574 -9.730 1.00 0.00 C ATOM 730 CD LYS A 50 3.614 0.174 -10.974 1.00 0.00 C ATOM 731 CE LYS A 50 3.080 0.862 -12.219 1.00 0.00 C ATOM 732 NZ LYS A 50 3.267 2.336 -12.166 1.00 0.00 N ATOM 0 H LYS A 50 4.264 -0.711 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 50 2.571 1.364 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.479 0.371 -8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.548 -1.096 -8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.807 0.236 -9.817 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.814 1.661 -9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.666 0.426 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.558 -0.907 -11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.586 0.464 -13.098 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.020 0.635 -12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.130 2.738 -13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.573 2.751 -11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.229 2.552 -11.834 1.00 0.00 H new ATOM 746 N LEU A 51 1.235 -1.631 -6.945 1.00 0.00 N ATOM 747 CA LEU A 51 -0.012 -2.366 -7.032 1.00 0.00 C ATOM 748 C LEU A 51 -0.874 -2.169 -5.791 1.00 0.00 C ATOM 749 O LEU A 51 -2.079 -2.405 -5.832 1.00 0.00 O ATOM 750 CB LEU A 51 0.270 -3.839 -7.306 1.00 0.00 C ATOM 751 CG LEU A 51 0.779 -4.103 -8.724 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.488 -5.438 -8.809 1.00 0.00 C ATOM 753 CD2 LEU A 51 -0.376 -4.054 -9.709 1.00 0.00 C ATOM 0 H LEU A 51 2.030 -2.182 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.588 -1.969 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.008 -4.200 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.642 -4.413 -7.142 1.00 0.00 H new ATOM 0 HG LEU A 51 1.498 -3.324 -8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.839 -5.599 -9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.338 -5.442 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.798 -6.235 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.004 -4.243 -10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.112 -4.814 -9.445 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.843 -3.070 -9.674 1.00 0.00 H new ATOM 765 N ILE A 52 -0.272 -1.744 -4.683 1.00 0.00 N ATOM 766 CA ILE A 52 -1.054 -1.253 -3.557 1.00 0.00 C ATOM 767 C ILE A 52 -1.769 0.036 -3.950 1.00 0.00 C ATOM 768 O ILE A 52 -2.942 0.230 -3.642 1.00 0.00 O ATOM 769 CB ILE A 52 -0.184 -0.977 -2.321 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.603 -2.224 -1.939 1.00 0.00 C ATOM 771 CG2 ILE A 52 -1.054 -0.520 -1.163 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.539 -2.008 -0.776 1.00 0.00 C ATOM 0 H ILE A 52 0.738 -1.730 -4.543 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.773 -2.031 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 52 0.524 -0.183 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.095 -3.023 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.178 -2.560 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.428 -0.327 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.580 0.393 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.779 -1.298 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.068 -2.936 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.260 -1.231 -1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.967 -1.701 0.100 1.00 0.00 H new ATOM 784 N TYR A 53 -1.053 0.908 -4.651 1.00 0.00 N ATOM 785 CA TYR A 53 -1.631 2.148 -5.152 1.00 0.00 C ATOM 786 C TYR A 53 -2.707 1.828 -6.186 1.00 0.00 C ATOM 787 O TYR A 53 -3.767 2.457 -6.226 1.00 0.00 O ATOM 788 CB TYR A 53 -0.533 3.021 -5.767 1.00 0.00 C ATOM 789 CG TYR A 53 -0.961 4.440 -6.065 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.282 5.314 -5.036 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.031 4.907 -7.371 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.665 6.616 -5.299 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.409 6.210 -7.642 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.726 7.060 -6.602 1.00 0.00 C ATOM 795 OH TYR A 53 -2.096 8.360 -6.867 1.00 0.00 O ATOM 0 H TYR A 53 -0.069 0.778 -4.885 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.088 2.697 -4.329 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.319 3.046 -5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.190 2.556 -6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.232 4.971 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.787 4.243 -8.187 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.915 7.282 -4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.456 6.560 -8.663 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.087 8.512 -7.835 1.00 0.00 H new ATOM 805 N ASP A 54 -2.420 0.831 -7.014 1.00 0.00 N ATOM 806 CA ASP A 54 -3.383 0.302 -7.974 1.00 0.00 C ATOM 807 C ASP A 54 -4.601 -0.279 -7.255 1.00 0.00 C ATOM 808 O ASP A 54 -5.727 -0.179 -7.735 1.00 0.00 O ATOM 809 CB ASP A 54 -2.705 -0.774 -8.828 1.00 0.00 C ATOM 810 CG ASP A 54 -3.668 -1.508 -9.734 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.028 -0.960 -10.797 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.059 -2.645 -9.397 1.00 0.00 O ATOM 0 H ASP A 54 -1.513 0.366 -7.039 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.728 1.112 -8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.927 -0.311 -9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.213 -1.493 -8.173 1.00 0.00 H new ATOM 817 N PHE A 55 -4.347 -0.883 -6.099 1.00 0.00 N ATOM 818 CA PHE A 55 -5.390 -1.433 -5.235 1.00 0.00 C ATOM 819 C PHE A 55 -6.302 -0.335 -4.716 1.00 0.00 C ATOM 820 O PHE A 55 -7.523 -0.463 -4.728 1.00 0.00 O ATOM 821 CB PHE A 55 -4.728 -2.167 -4.063 1.00 0.00 C ATOM 822 CG PHE A 55 -5.628 -2.462 -2.896 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.452 -3.583 -2.900 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.675 -1.607 -1.808 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.301 -3.834 -1.842 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.519 -1.859 -0.747 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.248 -3.042 -0.712 1.00 0.00 C ATOM 0 H PHE A 55 -3.404 -1.007 -5.731 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.000 -2.128 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.318 -3.108 -4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.888 -1.569 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.427 -4.263 -3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.043 -0.732 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.007 -4.650 -1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.613 -1.140 0.053 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.767 -3.338 0.188 1.00 0.00 H new ATOM 837 N ILE A 56 -5.687 0.739 -4.253 1.00 0.00 N ATOM 838 CA ILE A 56 -6.412 1.887 -3.740 1.00 0.00 C ATOM 839 C ILE A 56 -7.291 2.492 -4.833 1.00 0.00 C ATOM 840 O ILE A 56 -8.460 2.808 -4.605 1.00 0.00 O ATOM 841 CB ILE A 56 -5.417 2.923 -3.188 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.671 2.308 -2.003 1.00 0.00 C ATOM 843 CG2 ILE A 56 -6.128 4.197 -2.775 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.532 3.147 -1.481 1.00 0.00 C ATOM 0 H ILE A 56 -4.672 0.839 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.065 1.569 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.705 3.190 -3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.380 2.135 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.282 1.334 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.400 4.911 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.635 4.627 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.860 3.970 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.059 2.637 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.799 3.299 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.914 4.113 -1.150 1.00 0.00 H new ATOM 856 N GLU A 57 -6.723 2.616 -6.023 1.00 0.00 N ATOM 857 CA GLU A 57 -7.472 3.032 -7.206 1.00 0.00 C ATOM 858 C GLU A 57 -8.600 2.045 -7.508 1.00 0.00 C ATOM 859 O GLU A 57 -9.726 2.440 -7.803 1.00 0.00 O ATOM 860 CB GLU A 57 -6.527 3.112 -8.405 1.00 0.00 C ATOM 861 CG GLU A 57 -5.858 4.467 -8.578 1.00 0.00 C ATOM 862 CD GLU A 57 -6.820 5.532 -9.063 1.00 0.00 C ATOM 863 OE1 GLU A 57 -7.567 6.088 -8.227 1.00 0.00 O ATOM 864 OE2 GLU A 57 -6.834 5.823 -10.274 1.00 0.00 O ATOM 0 H GLU A 57 -5.735 2.433 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.911 4.011 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.756 2.349 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.086 2.876 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.425 4.779 -7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.036 4.375 -9.288 1.00 0.00 H new ATOM 871 N ASP A 58 -8.270 0.761 -7.428 1.00 0.00 N ATOM 872 CA ASP A 58 -9.220 -0.333 -7.667 1.00 0.00 C ATOM 873 C ASP A 58 -10.458 -0.208 -6.778 1.00 0.00 C ATOM 874 O ASP A 58 -11.577 -0.495 -7.206 1.00 0.00 O ATOM 875 CB ASP A 58 -8.520 -1.674 -7.420 1.00 0.00 C ATOM 876 CG ASP A 58 -9.404 -2.882 -7.656 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.094 -3.314 -6.711 1.00 0.00 O ATOM 878 OD2 ASP A 58 -9.383 -3.432 -8.779 1.00 0.00 O ATOM 0 H ASP A 58 -7.330 0.442 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.556 -0.278 -8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.648 -1.742 -8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.155 -1.698 -6.393 1.00 0.00 H new ATOM 883 N GLN A 59 -10.256 0.238 -5.543 1.00 0.00 N ATOM 884 CA GLN A 59 -11.363 0.417 -4.608 1.00 0.00 C ATOM 885 C GLN A 59 -12.162 1.682 -4.917 1.00 0.00 C ATOM 886 O GLN A 59 -13.304 1.823 -4.481 1.00 0.00 O ATOM 887 CB GLN A 59 -10.862 0.457 -3.164 1.00 0.00 C ATOM 888 CG GLN A 59 -10.330 -0.877 -2.665 1.00 0.00 C ATOM 889 CD GLN A 59 -11.296 -2.022 -2.915 1.00 0.00 C ATOM 890 OE1 GLN A 59 -12.515 -1.833 -2.960 1.00 0.00 O ATOM 891 NE2 GLN A 59 -10.761 -3.220 -3.074 1.00 0.00 N ATOM 0 H GLN A 59 -9.340 0.482 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.024 -0.442 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.074 1.206 -3.083 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.676 0.779 -2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.382 -1.093 -3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.126 -0.806 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.749 -3.336 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.360 -4.028 -3.241 1.00 0.00 H new ATOM 900 N GLY A 60 -11.573 2.586 -5.686 1.00 0.00 N ATOM 901 CA GLY A 60 -12.252 3.821 -6.031 1.00 0.00 C ATOM 902 C GLY A 60 -11.511 5.045 -5.541 1.00 0.00 C ATOM 903 O GLY A 60 -11.989 6.172 -5.692 1.00 0.00 O ATOM 0 H GLY A 60 -10.637 2.488 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.367 3.879 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.255 3.812 -5.604 1.00 0.00 H new ATOM 907 N GLY A 61 -10.346 4.829 -4.952 1.00 0.00 N ATOM 908 CA GLY A 61 -9.534 5.933 -4.493 1.00 0.00 C ATOM 909 C GLY A 61 -9.222 5.841 -3.012 1.00 0.00 C ATOM 910 O GLY A 61 -9.587 4.866 -2.353 1.00 0.00 O ATOM 0 H GLY A 61 -9.948 3.905 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.602 5.955 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.052 6.871 -4.695 1.00 0.00 H new ATOM 914 N LEU A 62 -8.566 6.868 -2.486 1.00 0.00 N ATOM 915 CA LEU A 62 -8.110 6.867 -1.097 1.00 0.00 C ATOM 916 C LEU A 62 -9.276 6.825 -0.124 1.00 0.00 C ATOM 917 O LEU A 62 -9.217 6.154 0.907 1.00 0.00 O ATOM 918 CB LEU A 62 -7.257 8.105 -0.803 1.00 0.00 C ATOM 919 CG LEU A 62 -5.794 8.024 -1.236 1.00 0.00 C ATOM 920 CD1 LEU A 62 -5.130 6.795 -0.636 1.00 0.00 C ATOM 921 CD2 LEU A 62 -5.669 8.023 -2.753 1.00 0.00 C ATOM 0 H LEU A 62 -8.336 7.717 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.509 5.968 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.715 8.963 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.289 8.298 0.269 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.280 8.910 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.088 6.752 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.175 6.852 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.650 5.899 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.617 7.965 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.201 7.163 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.100 8.940 -3.154 1.00 0.00 H new ATOM 933 N GLU A 63 -10.333 7.541 -0.463 1.00 0.00 N ATOM 934 CA GLU A 63 -11.470 7.692 0.428 1.00 0.00 C ATOM 935 C GLU A 63 -12.184 6.365 0.648 1.00 0.00 C ATOM 936 O GLU A 63 -12.662 6.090 1.744 1.00 0.00 O ATOM 937 CB GLU A 63 -12.433 8.742 -0.123 1.00 0.00 C ATOM 938 CG GLU A 63 -11.750 10.067 -0.435 1.00 0.00 C ATOM 939 CD GLU A 63 -10.844 10.530 0.688 1.00 0.00 C ATOM 940 OE1 GLU A 63 -11.357 10.811 1.794 1.00 0.00 O ATOM 941 OE2 GLU A 63 -9.619 10.610 0.476 1.00 0.00 O ATOM 0 H GLU A 63 -10.428 8.029 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.101 8.028 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.901 8.358 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.230 8.912 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.166 9.965 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.508 10.827 -0.623 1.00 0.00 H new ATOM 948 N ALA A 64 -12.226 5.535 -0.385 1.00 0.00 N ATOM 949 CA ALA A 64 -12.855 4.226 -0.279 1.00 0.00 C ATOM 950 C ALA A 64 -12.091 3.353 0.709 1.00 0.00 C ATOM 951 O ALA A 64 -12.679 2.638 1.517 1.00 0.00 O ATOM 952 CB ALA A 64 -12.923 3.561 -1.645 1.00 0.00 C ATOM 0 H ALA A 64 -11.833 5.744 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.873 4.353 0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.395 2.583 -1.551 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.507 4.182 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.915 3.440 -2.041 1.00 0.00 H new ATOM 958 N VAL A 65 -10.770 3.465 0.661 1.00 0.00 N ATOM 959 CA VAL A 65 -9.890 2.707 1.538 1.00 0.00 C ATOM 960 C VAL A 65 -10.090 3.128 2.988 1.00 0.00 C ATOM 961 O VAL A 65 -10.196 2.291 3.887 1.00 0.00 O ATOM 962 CB VAL A 65 -8.412 2.915 1.133 1.00 0.00 C ATOM 963 CG1 VAL A 65 -7.470 2.276 2.139 1.00 0.00 C ATOM 964 CG2 VAL A 65 -8.163 2.360 -0.262 1.00 0.00 C ATOM 0 H VAL A 65 -10.280 4.083 0.014 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.139 1.651 1.439 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.212 3.986 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.439 2.439 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.627 2.724 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.667 1.205 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.119 2.514 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.388 1.294 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.804 2.875 -0.978 1.00 0.00 H new ATOM 974 N ARG A 66 -10.166 4.436 3.202 1.00 0.00 N ATOM 975 CA ARG A 66 -10.361 4.984 4.536 1.00 0.00 C ATOM 976 C ARG A 66 -11.686 4.516 5.126 1.00 0.00 C ATOM 977 O ARG A 66 -11.810 4.336 6.341 1.00 0.00 O ATOM 978 CB ARG A 66 -10.322 6.512 4.499 1.00 0.00 C ATOM 979 CG ARG A 66 -9.017 7.071 3.962 1.00 0.00 C ATOM 980 CD ARG A 66 -8.951 8.582 4.125 1.00 0.00 C ATOM 981 NE ARG A 66 -7.795 9.158 3.438 1.00 0.00 N ATOM 982 CZ ARG A 66 -6.591 9.317 3.995 1.00 0.00 C ATOM 983 NH1 ARG A 66 -6.359 8.900 5.232 1.00 0.00 N ATOM 984 NH2 ARG A 66 -5.609 9.886 3.306 1.00 0.00 N ATOM 0 H ARG A 66 -10.095 5.138 2.465 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.550 4.623 5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.144 6.874 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.486 6.896 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.179 6.610 4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.915 6.813 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.865 9.029 3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.903 8.830 5.185 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.916 9.458 2.471 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.103 8.453 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.436 9.026 5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.773 10.202 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.690 10.007 3.732 1.00 0.00 H new ATOM 998 N GLN A 67 -12.666 4.293 4.256 1.00 0.00 N ATOM 999 CA GLN A 67 -13.993 3.902 4.694 1.00 0.00 C ATOM 1000 C GLN A 67 -14.044 2.424 5.036 1.00 0.00 C ATOM 1001 O GLN A 67 -14.608 2.055 6.061 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.047 4.232 3.642 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.199 5.722 3.392 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.495 6.508 4.656 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.119 6.004 5.592 1.00 0.00 O ATOM 1006 NE2 GLN A 67 -15.038 7.748 4.693 1.00 0.00 N ATOM 0 H GLN A 67 -12.562 4.377 3.245 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.216 4.475 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.784 3.739 2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.007 3.824 3.959 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.284 6.104 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -16.002 5.884 2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.526 8.127 3.896 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.197 8.326 5.518 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.434 1.578 4.192 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.431 0.125 4.417 1.00 0.00 C ATOM 1017 C GLU A 68 -12.994 -0.215 5.834 1.00 0.00 C ATOM 1018 O GLU A 68 -13.523 -1.141 6.445 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.510 -0.594 3.428 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.976 -0.514 1.994 1.00 0.00 C ATOM 1021 CD GLU A 68 -12.665 -1.772 1.201 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -13.496 -2.690 1.185 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -11.570 -1.845 0.599 1.00 0.00 O ATOM 0 H GLU A 68 -12.938 1.874 3.351 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.455 -0.216 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.510 -0.166 3.500 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.430 -1.642 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.051 -0.336 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.503 0.341 1.510 1.00 0.00 H new ATOM 1030 N MET A 69 -12.044 0.559 6.357 1.00 0.00 N ATOM 1031 CA MET A 69 -11.538 0.355 7.714 1.00 0.00 C ATOM 1032 C MET A 69 -12.671 0.304 8.737 1.00 0.00 C ATOM 1033 O MET A 69 -12.662 -0.518 9.656 1.00 0.00 O ATOM 1034 CB MET A 69 -10.574 1.464 8.108 1.00 0.00 C ATOM 1035 CG MET A 69 -9.177 1.252 7.581 1.00 0.00 C ATOM 1036 SD MET A 69 -7.986 2.358 8.346 1.00 0.00 S ATOM 1037 CE MET A 69 -6.479 1.618 7.748 1.00 0.00 C ATOM 0 H MET A 69 -11.608 1.336 5.860 1.00 0.00 H new ATOM 0 HA MET A 69 -11.017 -0.603 7.713 1.00 0.00 H new ATOM 0 HB2 MET A 69 -10.955 2.416 7.738 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.538 1.536 9.195 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.877 0.219 7.758 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.171 1.405 6.502 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.982 1.095 8.565 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.712 0.911 6.952 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.820 2.396 7.361 1.00 0.00 H new ATOM 1047 N ARG A 70 -13.652 1.177 8.559 1.00 0.00 N ATOM 1048 CA ARG A 70 -14.756 1.293 9.498 1.00 0.00 C ATOM 1049 C ARG A 70 -16.036 0.741 8.879 1.00 0.00 C ATOM 1050 O ARG A 70 -17.111 0.854 9.459 1.00 0.00 O ATOM 1051 CB ARG A 70 -14.980 2.759 9.902 1.00 0.00 C ATOM 1052 CG ARG A 70 -13.825 3.403 10.659 1.00 0.00 C ATOM 1053 CD ARG A 70 -12.748 3.945 9.727 1.00 0.00 C ATOM 1054 NE ARG A 70 -11.668 4.592 10.473 1.00 0.00 N ATOM 1055 CZ ARG A 70 -10.507 4.979 9.944 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -10.283 4.865 8.641 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -9.576 5.514 10.720 1.00 0.00 N ATOM 0 H ARG A 70 -13.705 1.818 7.768 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.502 0.716 10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.175 3.342 9.002 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.876 2.817 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.208 4.215 11.278 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.382 2.670 11.333 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.341 3.131 9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.192 4.660 9.034 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.814 4.759 11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.003 4.478 8.032 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.390 5.165 8.249 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.749 5.629 11.719 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.687 5.811 10.319 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.012 -3.107 3.877 1.00 0.00 N ATOM 1204 CA VAL B 79 -9.038 -3.122 2.780 1.00 0.00 C ATOM 1205 C VAL B 79 -7.910 -4.137 3.004 1.00 0.00 C ATOM 1206 O VAL B 79 -7.459 -4.793 2.065 1.00 0.00 O ATOM 1207 CB VAL B 79 -8.388 -1.732 2.619 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -8.861 -1.014 1.374 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -8.670 -0.861 3.828 1.00 0.00 C ATOM 0 HA VAL B 79 -9.595 -3.404 1.887 1.00 0.00 H new ATOM 0 HB VAL B 79 -7.316 -1.905 2.527 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -8.374 -0.041 1.308 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -8.609 -1.607 0.494 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -9.941 -0.876 1.422 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -8.202 0.114 3.691 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -9.747 -0.734 3.942 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -8.265 -1.336 4.721 1.00 0.00 H new ATOM 1219 N ALA B 80 -7.477 -4.263 4.256 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.288 -5.036 4.615 1.00 0.00 C ATOM 1221 C ALA B 80 -6.266 -6.450 4.019 1.00 0.00 C ATOM 1222 O ALA B 80 -5.272 -6.846 3.411 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.154 -5.081 6.127 1.00 0.00 C ATOM 0 H ALA B 80 -7.942 -3.831 5.054 1.00 0.00 H new ATOM 0 HA ALA B 80 -5.430 -4.525 4.178 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.269 -5.657 6.397 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.059 -4.067 6.514 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.038 -5.552 6.557 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.345 -7.209 4.172 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.361 -8.581 3.663 1.00 0.00 C ATOM 1231 C GLN B 81 -7.437 -8.576 2.139 1.00 0.00 C ATOM 1232 O GLN B 81 -6.869 -9.444 1.463 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.537 -9.382 4.231 1.00 0.00 C ATOM 1234 CG GLN B 81 -9.886 -8.999 3.642 1.00 0.00 C ATOM 1235 CD GLN B 81 -10.978 -9.995 3.974 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -10.714 -11.179 4.176 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -12.211 -9.521 4.019 1.00 0.00 N ATOM 0 H GLN B 81 -8.204 -6.909 4.633 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.436 -9.060 3.984 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -8.361 -10.443 4.052 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -8.571 -9.242 5.312 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -10.173 -8.015 4.014 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -9.794 -8.916 2.559 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -12.383 -8.531 3.845 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -12.990 -10.145 4.228 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.126 -7.579 1.607 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.324 -7.457 0.178 1.00 0.00 C ATOM 1248 C ARG B 82 -7.005 -7.106 -0.506 1.00 0.00 C ATOM 1249 O ARG B 82 -6.816 -7.353 -1.699 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.394 -6.399 -0.111 1.00 0.00 C ATOM 1251 CG ARG B 82 -9.705 -6.251 -1.583 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.243 -7.544 -2.168 1.00 0.00 C ATOM 1253 NE ARG B 82 -9.842 -7.716 -3.561 1.00 0.00 N ATOM 1254 CZ ARG B 82 -9.564 -8.898 -4.111 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -9.734 -10.017 -3.412 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -9.127 -8.962 -5.361 1.00 0.00 N ATOM 0 H ARG B 82 -8.561 -6.836 2.154 1.00 0.00 H new ATOM 0 HA ARG B 82 -8.669 -8.411 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.308 -6.661 0.422 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.061 -5.438 0.281 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.436 -5.454 -1.724 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -8.803 -5.955 -2.119 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -9.882 -8.387 -1.579 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -11.331 -7.549 -2.099 1.00 0.00 H new ATOM 0 HE ARG B 82 -9.770 -6.884 -4.147 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -10.078 -9.972 -2.453 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -9.521 -10.920 -3.835 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -9.003 -8.106 -5.902 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -8.914 -9.867 -5.781 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.085 -6.563 0.276 1.00 0.00 N ATOM 1271 CA LEU B 83 -4.772 -6.185 -0.230 1.00 0.00 C ATOM 1272 C LEU B 83 -3.923 -7.421 -0.456 1.00 0.00 C ATOM 1273 O LEU B 83 -3.259 -7.547 -1.482 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.065 -5.240 0.744 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.874 -3.812 0.234 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.315 -2.915 1.324 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -2.971 -3.795 -0.992 1.00 0.00 C ATOM 0 H LEU B 83 -6.223 -6.373 1.269 1.00 0.00 H new ATOM 0 HA LEU B 83 -4.909 -5.666 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -4.636 -5.205 1.672 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -3.088 -5.657 0.987 1.00 0.00 H new ATOM 0 HG LEU B 83 -4.851 -3.424 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -3.189 -1.905 0.935 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -4.004 -2.895 2.168 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -2.350 -3.300 1.653 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.848 -2.769 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -1.997 -4.209 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.421 -4.394 -1.784 1.00 0.00 H new ATOM 1289 N MET B 84 -3.980 -8.337 0.508 1.00 0.00 N ATOM 1290 CA MET B 84 -3.214 -9.577 0.448 1.00 0.00 C ATOM 1291 C MET B 84 -3.443 -10.282 -0.881 1.00 0.00 C ATOM 1292 O MET B 84 -2.500 -10.723 -1.536 1.00 0.00 O ATOM 1293 CB MET B 84 -3.623 -10.504 1.596 1.00 0.00 C ATOM 1294 CG MET B 84 -3.486 -9.878 2.972 1.00 0.00 C ATOM 1295 SD MET B 84 -4.117 -10.946 4.278 1.00 0.00 S ATOM 1296 CE MET B 84 -3.780 -9.935 5.713 1.00 0.00 C ATOM 0 H MET B 84 -4.554 -8.241 1.346 1.00 0.00 H new ATOM 0 HA MET B 84 -2.156 -9.332 0.541 1.00 0.00 H new ATOM 0 HB2 MET B 84 -4.658 -10.812 1.450 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.013 -11.406 1.556 1.00 0.00 H new ATOM 0 HG2 MET B 84 -2.436 -9.655 3.164 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.022 -8.929 2.992 1.00 0.00 H new ATOM 0 HE1 MET B 84 -4.113 -10.455 6.611 1.00 0.00 H new ATOM 0 HE2 MET B 84 -2.709 -9.744 5.780 1.00 0.00 H new ATOM 0 HE3 MET B 84 -4.312 -8.988 5.624 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.702 -10.349 -1.287 1.00 0.00 N ATOM 1307 CA GLN B 85 -5.071 -11.018 -2.527 1.00 0.00 C ATOM 1308 C GLN B 85 -4.616 -10.218 -3.746 1.00 0.00 C ATOM 1309 O GLN B 85 -4.137 -10.785 -4.726 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.581 -11.226 -2.575 1.00 0.00 C ATOM 1311 CG GLN B 85 -7.097 -12.137 -1.478 1.00 0.00 C ATOM 1312 CD GLN B 85 -6.520 -13.536 -1.566 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -6.207 -14.025 -2.650 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -6.365 -14.185 -0.424 1.00 0.00 N ATOM 0 H GLN B 85 -5.488 -9.947 -0.775 1.00 0.00 H new ATOM 0 HA GLN B 85 -4.569 -11.985 -2.552 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -7.077 -10.258 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.852 -11.646 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.851 -11.707 -0.507 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -8.184 -12.191 -1.537 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -6.637 -13.744 0.454 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -5.973 -15.127 -0.422 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.746 -8.899 -3.664 1.00 0.00 N ATOM 1324 CA HIS B 86 -4.450 -8.028 -4.798 1.00 0.00 C ATOM 1325 C HIS B 86 -2.959 -8.054 -5.140 1.00 0.00 C ATOM 1326 O HIS B 86 -2.580 -7.915 -6.304 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.915 -6.599 -4.497 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.952 -5.701 -5.699 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -6.014 -5.662 -6.580 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -4.058 -4.789 -6.154 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -5.770 -4.770 -7.521 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -4.593 -4.228 -7.289 1.00 0.00 N ATOM 0 H HIS B 86 -5.054 -8.408 -2.825 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.993 -8.398 -5.667 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.911 -6.638 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.252 -6.162 -3.751 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.104 -4.548 -5.708 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -6.426 -4.526 -8.344 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -4.150 -3.508 -7.859 1.00 0.00 H new ATOM 1341 N LEU B 87 -2.112 -8.228 -4.127 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.678 -8.376 -4.364 1.00 0.00 C ATOM 1343 C LEU B 87 -0.361 -9.792 -4.834 1.00 0.00 C ATOM 1344 O LEU B 87 0.471 -9.994 -5.724 1.00 0.00 O ATOM 1345 CB LEU B 87 0.151 -8.055 -3.110 1.00 0.00 C ATOM 1346 CG LEU B 87 0.340 -6.568 -2.772 1.00 0.00 C ATOM 1347 CD1 LEU B 87 0.092 -5.679 -3.985 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.548 -6.162 -1.610 1.00 0.00 C ATOM 0 H LEU B 87 -2.389 -8.270 -3.146 1.00 0.00 H new ATOM 0 HA LEU B 87 -0.407 -7.660 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU B 87 -0.321 -8.541 -2.256 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.137 -8.505 -3.229 1.00 0.00 H new ATOM 0 HG LEU B 87 1.379 -6.428 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU B 87 0.235 -4.635 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU B 87 0.792 -5.942 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU B 87 -0.929 -5.823 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.397 -5.105 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.592 -6.332 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.293 -6.756 -0.733 1.00 0.00 H new ATOM 1360 N ALA B 88 -1.039 -10.767 -4.242 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.821 -12.175 -4.569 1.00 0.00 C ATOM 1362 C ALA B 88 -1.049 -12.450 -6.054 1.00 0.00 C ATOM 1363 O ALA B 88 -0.362 -13.280 -6.655 1.00 0.00 O ATOM 1364 CB ALA B 88 -1.729 -13.056 -3.727 1.00 0.00 C ATOM 0 H ALA B 88 -1.750 -10.609 -3.528 1.00 0.00 H new ATOM 0 HA ALA B 88 0.219 -12.411 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -1.557 -14.102 -3.980 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -1.512 -12.898 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -2.770 -12.801 -3.926 1.00 0.00 H new ATOM 1370 N GLU B 89 -2.002 -11.730 -6.638 1.00 0.00 N ATOM 1371 CA GLU B 89 -2.347 -11.877 -8.051 1.00 0.00 C ATOM 1372 C GLU B 89 -1.173 -11.551 -8.979 1.00 0.00 C ATOM 1373 O GLU B 89 -1.140 -12.010 -10.119 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.523 -10.972 -8.401 1.00 0.00 C ATOM 1375 CG GLU B 89 -4.835 -11.377 -7.754 1.00 0.00 C ATOM 1376 CD GLU B 89 -5.405 -12.646 -8.350 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.938 -12.585 -9.479 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -5.326 -13.707 -7.700 1.00 0.00 O ATOM 0 H GLU B 89 -2.557 -11.029 -6.147 1.00 0.00 H new ATOM 0 HA GLU B 89 -2.614 -12.923 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.283 -9.952 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.652 -10.965 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -4.681 -11.519 -6.684 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -5.558 -10.569 -7.868 1.00 0.00 H new ATOM 1385 N HIS B 90 -0.215 -10.761 -8.506 1.00 0.00 N ATOM 1386 CA HIS B 90 0.863 -10.294 -9.378 1.00 0.00 C ATOM 1387 C HIS B 90 2.238 -10.790 -8.927 1.00 0.00 C ATOM 1388 O HIS B 90 3.260 -10.350 -9.455 1.00 0.00 O ATOM 1389 CB HIS B 90 0.878 -8.767 -9.460 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.323 -8.172 -10.130 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -0.418 -8.002 -11.493 1.00 0.00 N ATOM 1392 CD2 HIS B 90 -1.466 -7.666 -9.610 1.00 0.00 C ATOM 1393 CE1 HIS B 90 -1.565 -7.415 -11.783 1.00 0.00 C ATOM 1394 NE2 HIS B 90 -2.221 -7.199 -10.658 1.00 0.00 N ATOM 0 H HIS B 90 -0.160 -10.434 -7.541 1.00 0.00 H new ATOM 0 HA HIS B 90 0.661 -10.712 -10.364 1.00 0.00 H new ATOM 0 HB2 HIS B 90 0.954 -8.362 -8.451 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.772 -8.453 -9.998 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -1.735 -7.635 -8.564 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -1.908 -7.155 -12.774 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -3.137 -6.758 -10.580 1.00 0.00 H new ATOM 1403 N GLY B 91 2.261 -11.686 -7.947 1.00 0.00 N ATOM 1404 CA GLY B 91 3.520 -12.281 -7.513 1.00 0.00 C ATOM 1405 C GLY B 91 4.429 -11.313 -6.771 1.00 0.00 C ATOM 1406 O GLY B 91 5.653 -11.424 -6.847 1.00 0.00 O ATOM 0 H GLY B 91 1.436 -12.013 -7.444 1.00 0.00 H new ATOM 0 HA2 GLY B 91 3.306 -13.132 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.049 -12.667 -8.384 1.00 0.00 H new ATOM 1410 N ILE B 92 3.822 -10.361 -6.071 1.00 0.00 N ATOM 1411 CA ILE B 92 4.533 -9.419 -5.208 1.00 0.00 C ATOM 1412 C ILE B 92 5.535 -10.124 -4.280 1.00 0.00 C ATOM 1413 O ILE B 92 5.336 -11.279 -3.888 1.00 0.00 O ATOM 1414 CB ILE B 92 3.492 -8.628 -4.375 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.105 -7.353 -5.114 1.00 0.00 C ATOM 1416 CG2 ILE B 92 3.982 -8.316 -2.970 1.00 0.00 C ATOM 1417 CD1 ILE B 92 2.279 -7.591 -6.351 1.00 0.00 C ATOM 0 H ILE B 92 2.812 -10.218 -6.085 1.00 0.00 H new ATOM 0 HA ILE B 92 5.111 -8.742 -5.837 1.00 0.00 H new ATOM 0 HB ILE B 92 2.612 -9.261 -4.258 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.548 -6.707 -4.436 1.00 0.00 H new ATOM 0 HG13 ILE B 92 4.012 -6.817 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.214 -7.761 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.194 -9.247 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE B 92 4.890 -7.716 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE B 92 2.044 -6.636 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE B 92 2.841 -8.211 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE B 92 1.354 -8.099 -6.079 1.00 0.00 H new ATOM 1429 N GLN B 93 6.618 -9.429 -3.946 1.00 0.00 N ATOM 1430 CA GLN B 93 7.629 -9.975 -3.048 1.00 0.00 C ATOM 1431 C GLN B 93 7.247 -9.735 -1.589 1.00 0.00 C ATOM 1432 O GLN B 93 6.892 -8.619 -1.203 1.00 0.00 O ATOM 1433 CB GLN B 93 9.006 -9.356 -3.318 1.00 0.00 C ATOM 1434 CG GLN B 93 9.598 -9.701 -4.678 1.00 0.00 C ATOM 1435 CD GLN B 93 9.041 -8.849 -5.797 1.00 0.00 C ATOM 1436 OE1 GLN B 93 8.736 -7.600 -5.489 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 8.907 -9.302 -6.933 1.00 0.00 N flip ATOM 0 H GLN B 93 6.818 -8.487 -4.284 1.00 0.00 H new ATOM 0 HA GLN B 93 7.681 -11.047 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN B 93 8.926 -8.272 -3.235 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.697 -9.685 -2.541 1.00 0.00 H new ATOM 0 HG2 GLN B 93 10.680 -9.578 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN B 93 9.404 -10.751 -4.897 1.00 0.00 H new ATOM 0 HE21 GLN B 93 9.155 -10.272 -7.128 1.00 0.00 H new ATOM 0 HE22 GLN B 93 8.548 -8.707 -7.680 1.00 0.00 H new