USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 583 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 82 LYS NZ :NH3+ 161:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 125 THR OG1 : rot 80:sc= 1.34 USER MOD Set 2.1: A 84 GLN : amide:sc= 0 X(o=-3.8,f=-3.8) USER MOD Set 2.2: A 123 ASN : amide:sc= -3.77! C(o=-3.8!,f=-6.1!) USER MOD Single : A 87 ASN : amide:sc= -2.31! C(o=-2.3!,f=-2.5!) USER MOD Single : A 91 HIS : no HE2:sc= 0.849 K(o=0.85,f=-4.9!) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 TYR OH : rot 150:sc= -0.0195 USER MOD Single : A 109 SER OG : rot 42:sc= 0.996 USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 114 ASN : amide:sc= -0.612 X(o=-0.61,f=-0.21) USER MOD Single : A 115 THR OG1 : rot -54:sc= 0.573 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot -16:sc= 0.784 USER MOD Single : A 127 SER OG : rot 98:sc= 0.249 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 162:sc= -0.0622 (180deg=-0.426) USER MOD Single : A 131 GLN :FLIP amide:sc= -1.48 F(o=-4.1,f=-1.5) USER MOD Single : A 134 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.55) USER MOD Single : A 138 LYS NZ :NH3+ 152:sc= -0.163 (180deg=-1.16) USER MOD Single : A 140 ASN : amide:sc= -0.0805 K(o=-0.08,f=-1.4!) USER MOD Single : A 143 GLN : amide:sc=-0.00566 X(o=-0.0057,f=0) USER MOD Single : A 146 ASN : amide:sc= -2.4! C(o=-2.4!,f=-6.2!) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ -166:sc= -0.402 (180deg=-0.807) USER MOD Single : A 153 TYR OH : rot 30:sc= -0.636 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.338 -1.199 -3.681 1.00 0.00 N ATOM 238 CA LYS A 82 8.578 -1.045 -2.446 1.00 0.00 C ATOM 239 C LYS A 82 7.225 -0.395 -2.718 1.00 0.00 C ATOM 240 O LYS A 82 6.873 -0.127 -3.868 1.00 0.00 O ATOM 241 CB LYS A 82 9.366 -0.204 -1.440 1.00 0.00 C ATOM 242 CG LYS A 82 10.267 -1.026 -0.535 1.00 0.00 C ATOM 243 CD LYS A 82 11.077 -0.141 0.399 1.00 0.00 C ATOM 244 CE LYS A 82 10.340 0.112 1.705 1.00 0.00 C ATOM 245 NZ LYS A 82 10.649 -0.927 2.726 1.00 0.00 N ATOM 0 HA LYS A 82 8.408 -2.037 -2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.973 0.521 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.666 0.362 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.662 -1.718 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.942 -1.629 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.037 -0.613 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.288 0.810 -0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.613 1.094 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.266 0.130 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.405 -0.568 3.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.095 -1.784 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.663 -1.155 2.693 1.00 0.00 H new ATOM 259 N LEU A 83 6.471 -0.142 -1.654 1.00 0.00 N ATOM 260 CA LEU A 83 5.156 0.479 -1.778 1.00 0.00 C ATOM 261 C LEU A 83 4.894 1.435 -0.619 1.00 0.00 C ATOM 262 O LEU A 83 5.173 1.115 0.536 1.00 0.00 O ATOM 263 CB LEU A 83 4.067 -0.594 -1.825 1.00 0.00 C ATOM 264 CG LEU A 83 3.868 -1.290 -3.172 1.00 0.00 C ATOM 265 CD1 LEU A 83 2.798 -2.365 -3.065 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.504 -0.277 -4.248 1.00 0.00 C ATOM 0 H LEU A 83 6.747 -0.357 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 83 5.136 1.049 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.300 -1.353 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.122 -0.137 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 83 4.806 -1.768 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.670 -2.849 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.100 -3.107 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.855 -1.911 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.366 -0.791 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.579 0.230 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.305 0.456 -4.344 1.00 0.00 H new ATOM 278 N GLN A 84 4.355 2.608 -0.936 1.00 0.00 N ATOM 279 CA GLN A 84 4.054 3.609 0.080 1.00 0.00 C ATOM 280 C GLN A 84 2.553 3.696 0.331 1.00 0.00 C ATOM 281 O GLN A 84 1.766 3.853 -0.603 1.00 0.00 O ATOM 282 CB GLN A 84 4.592 4.976 -0.347 1.00 0.00 C ATOM 283 CG GLN A 84 4.135 6.116 0.549 1.00 0.00 C ATOM 284 CD GLN A 84 5.105 7.281 0.553 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.822 8.342 -0.005 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.258 7.089 1.183 1.00 0.00 N ATOM 0 H GLN A 84 4.118 2.888 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 84 4.541 3.307 1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.681 4.943 -0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.274 5.179 -1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.157 6.464 0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.013 5.746 1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.451 6.194 1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.951 7.837 1.218 1.00 0.00 H new ATOM 295 N ILE A 85 2.163 3.592 1.597 1.00 0.00 N ATOM 296 CA ILE A 85 0.755 3.660 1.970 1.00 0.00 C ATOM 297 C ILE A 85 0.482 4.858 2.873 1.00 0.00 C ATOM 298 O ILE A 85 1.144 5.042 3.894 1.00 0.00 O ATOM 299 CB ILE A 85 0.301 2.376 2.690 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.561 1.152 1.808 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.172 2.467 3.057 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.151 -0.154 2.452 1.00 0.00 C ATOM 0 H ILE A 85 2.802 3.460 2.381 1.00 0.00 H new ATOM 0 HA ILE A 85 0.189 3.769 1.045 1.00 0.00 H new ATOM 0 HB ILE A 85 0.878 2.269 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.021 1.270 0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.622 1.110 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.478 1.552 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.330 3.319 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.765 2.595 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.364 -0.978 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.710 -0.294 3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.916 -0.132 2.672 1.00 0.00 H new ATOM 314 N ARG A 86 -0.497 5.670 2.489 1.00 0.00 N ATOM 315 CA ARG A 86 -0.858 6.851 3.264 1.00 0.00 C ATOM 316 C ARG A 86 -2.369 6.929 3.464 1.00 0.00 C ATOM 317 O ARG A 86 -3.106 6.035 3.052 1.00 0.00 O ATOM 318 CB ARG A 86 -0.360 8.118 2.565 1.00 0.00 C ATOM 319 CG ARG A 86 1.117 8.076 2.210 1.00 0.00 C ATOM 320 CD ARG A 86 1.449 9.052 1.092 1.00 0.00 C ATOM 321 NE ARG A 86 1.161 8.493 -0.227 1.00 0.00 N ATOM 322 CZ ARG A 86 1.020 9.230 -1.323 1.00 0.00 C ATOM 323 NH1 ARG A 86 1.140 10.549 -1.259 1.00 0.00 N ATOM 324 NH2 ARG A 86 0.759 8.648 -2.486 1.00 0.00 N ATOM 0 H ARG A 86 -1.054 5.532 1.646 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.382 6.772 4.242 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.940 8.273 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.546 8.976 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.711 8.315 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.391 7.066 1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.876 9.969 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.503 9.323 1.149 1.00 0.00 H new ATOM 0 HE ARG A 86 1.063 7.481 -0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.341 11.000 -0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.031 11.113 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.666 7.634 -2.539 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.651 9.215 -3.327 1.00 0.00 H new ATOM 338 N ASN A 87 -2.822 8.004 4.100 1.00 0.00 N ATOM 339 CA ASN A 87 -4.244 8.198 4.357 1.00 0.00 C ATOM 340 C ASN A 87 -4.788 7.099 5.264 1.00 0.00 C ATOM 341 O ASN A 87 -5.935 6.673 5.120 1.00 0.00 O ATOM 342 CB ASN A 87 -5.023 8.220 3.040 1.00 0.00 C ATOM 343 CG ASN A 87 -5.208 9.626 2.501 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.342 10.485 2.667 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.341 9.866 1.852 1.00 0.00 N ATOM 0 H ASN A 87 -2.225 8.754 4.447 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.369 9.156 4.862 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.497 7.616 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.000 7.760 3.191 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.522 10.793 1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.031 9.123 1.738 1.00 0.00 H new ATOM 352 N ILE A 88 -3.959 6.645 6.197 1.00 0.00 N ATOM 353 CA ILE A 88 -4.358 5.597 7.129 1.00 0.00 C ATOM 354 C ILE A 88 -4.936 6.190 8.409 1.00 0.00 C ATOM 355 O ILE A 88 -4.360 7.090 9.021 1.00 0.00 O ATOM 356 CB ILE A 88 -3.171 4.683 7.489 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.491 4.169 6.219 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.641 3.522 8.352 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.147 3.523 6.472 1.00 0.00 C ATOM 0 H ILE A 88 -3.007 6.986 6.328 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.124 5.004 6.629 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.444 5.263 8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.146 3.446 5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.361 4.999 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.792 2.885 8.599 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.084 3.907 9.270 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.384 2.941 7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.723 3.182 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.475 4.249 6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.273 2.672 7.141 1.00 0.00 H new ATOM 371 N PRO A 89 -6.101 5.673 8.827 1.00 0.00 N ATOM 372 CA PRO A 89 -6.781 6.135 10.040 1.00 0.00 C ATOM 373 C PRO A 89 -6.037 5.736 11.310 1.00 0.00 C ATOM 374 O PRO A 89 -5.773 4.560 11.561 1.00 0.00 O ATOM 375 CB PRO A 89 -8.140 5.432 9.974 1.00 0.00 C ATOM 376 CG PRO A 89 -7.897 4.215 9.149 1.00 0.00 C ATOM 377 CD PRO A 89 -6.843 4.598 8.148 1.00 0.00 C ATOM 0 HA PRO A 89 -6.849 7.222 10.080 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.499 5.170 10.969 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.896 6.073 9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.563 3.383 9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.811 3.893 8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.196 3.756 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.284 4.943 7.213 1.00 0.00 H new ATOM 385 N PRO A 90 -5.689 6.737 12.132 1.00 0.00 N ATOM 386 CA PRO A 90 -4.970 6.515 13.390 1.00 0.00 C ATOM 387 C PRO A 90 -5.836 5.825 14.438 1.00 0.00 C ATOM 388 O PRO A 90 -5.398 5.592 15.565 1.00 0.00 O ATOM 389 CB PRO A 90 -4.606 7.931 13.845 1.00 0.00 C ATOM 390 CG PRO A 90 -5.630 8.808 13.212 1.00 0.00 C ATOM 391 CD PRO A 90 -5.970 8.163 11.896 1.00 0.00 C ATOM 0 HA PRO A 90 -4.109 5.860 13.257 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.629 8.016 14.931 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.600 8.203 13.526 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.514 8.895 13.844 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.243 9.816 13.064 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.013 8.328 11.625 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.363 8.563 11.084 1.00 0.00 H new ATOM 399 N HIS A 91 -7.069 5.500 14.060 1.00 0.00 N ATOM 400 CA HIS A 91 -7.997 4.836 14.968 1.00 0.00 C ATOM 401 C HIS A 91 -7.871 3.319 14.859 1.00 0.00 C ATOM 402 O HIS A 91 -7.773 2.619 15.868 1.00 0.00 O ATOM 403 CB HIS A 91 -9.433 5.263 14.666 1.00 0.00 C ATOM 404 CG HIS A 91 -9.569 6.719 14.340 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.445 7.198 13.389 1.00 0.00 N ATOM 406 CD2 HIS A 91 -8.935 7.802 14.845 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.342 8.513 13.322 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.433 8.905 14.196 1.00 0.00 N ATOM 0 H HIS A 91 -7.448 5.686 13.131 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.745 5.132 15.986 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.810 4.675 13.829 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.061 5.032 15.526 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.074 6.626 12.825 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.178 7.800 15.615 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.905 9.158 12.664 1.00 0.00 H new ATOM 416 N LEU A 92 -7.875 2.817 13.629 1.00 0.00 N ATOM 417 CA LEU A 92 -7.763 1.383 13.388 1.00 0.00 C ATOM 418 C LEU A 92 -6.635 0.778 14.217 1.00 0.00 C ATOM 419 O LEU A 92 -5.683 1.467 14.584 1.00 0.00 O ATOM 420 CB LEU A 92 -7.519 1.114 11.902 1.00 0.00 C ATOM 421 CG LEU A 92 -6.715 -0.145 11.571 1.00 0.00 C ATOM 422 CD1 LEU A 92 -7.079 -0.662 10.187 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.223 0.136 11.661 1.00 0.00 C ATOM 0 H LEU A 92 -7.955 3.382 12.783 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.701 0.915 13.687 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.485 1.046 11.402 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -7.001 1.974 11.478 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.964 -0.915 12.302 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.497 -1.558 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.142 -0.903 10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.859 0.104 9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.667 -0.771 11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.957 0.921 10.953 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.974 0.459 12.672 1.00 0.00 H new ATOM 435 N GLN A 93 -6.748 -0.514 14.508 1.00 0.00 N ATOM 436 CA GLN A 93 -5.737 -1.211 15.294 1.00 0.00 C ATOM 437 C GLN A 93 -4.668 -1.817 14.390 1.00 0.00 C ATOM 438 O GLN A 93 -4.975 -2.584 13.477 1.00 0.00 O ATOM 439 CB GLN A 93 -6.385 -2.307 16.142 1.00 0.00 C ATOM 440 CG GLN A 93 -7.200 -1.771 17.308 1.00 0.00 C ATOM 441 CD GLN A 93 -6.374 -1.601 18.568 1.00 0.00 C ATOM 442 OE1 GLN A 93 -5.196 -1.248 18.509 1.00 0.00 O ATOM 443 NE2 GLN A 93 -6.989 -1.851 19.717 1.00 0.00 N ATOM 0 H GLN A 93 -7.529 -1.099 14.211 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.262 -0.485 15.953 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.031 -2.913 15.506 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.606 -2.966 16.526 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.635 -0.811 17.031 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.028 -2.450 17.510 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.967 -2.141 19.719 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.484 -1.753 20.598 1.00 0.00 H new ATOM 452 N TRP A 94 -3.413 -1.468 14.649 1.00 0.00 N ATOM 453 CA TRP A 94 -2.299 -1.978 13.858 1.00 0.00 C ATOM 454 C TRP A 94 -2.503 -3.449 13.516 1.00 0.00 C ATOM 455 O TRP A 94 -2.298 -3.863 12.375 1.00 0.00 O ATOM 456 CB TRP A 94 -0.983 -1.795 14.617 1.00 0.00 C ATOM 457 CG TRP A 94 0.229 -2.069 13.778 1.00 0.00 C ATOM 458 CD1 TRP A 94 0.791 -3.287 13.523 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.027 -1.103 13.086 1.00 0.00 C ATOM 460 NE1 TRP A 94 1.892 -3.136 12.714 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.057 -1.806 12.431 1.00 0.00 C ATOM 462 CE3 TRP A 94 0.972 0.287 12.954 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.022 -1.165 11.659 1.00 0.00 C ATOM 464 CZ3 TRP A 94 1.930 0.922 12.187 1.00 0.00 C ATOM 465 CH2 TRP A 94 2.944 0.197 11.547 1.00 0.00 C ATOM 0 H TRP A 94 -3.141 -0.834 15.400 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.256 -1.411 12.928 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.930 -0.775 14.997 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.975 -2.458 15.482 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.425 -4.230 13.901 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.489 -3.892 12.379 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.194 0.855 13.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 3.804 -1.723 11.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 1.897 1.996 12.079 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.678 0.723 10.954 1.00 0.00 H new ATOM 476 N GLU A 95 -2.907 -4.234 14.510 1.00 0.00 N ATOM 477 CA GLU A 95 -3.137 -5.660 14.311 1.00 0.00 C ATOM 478 C GLU A 95 -3.911 -5.912 13.020 1.00 0.00 C ATOM 479 O GLU A 95 -3.519 -6.743 12.201 1.00 0.00 O ATOM 480 CB GLU A 95 -3.903 -6.246 15.500 1.00 0.00 C ATOM 481 CG GLU A 95 -5.335 -5.750 15.605 1.00 0.00 C ATOM 482 CD GLU A 95 -5.963 -6.062 16.950 1.00 0.00 C ATOM 483 OE1 GLU A 95 -5.792 -5.255 17.887 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.626 -7.115 17.064 1.00 0.00 O ATOM 0 H GLU A 95 -3.082 -3.907 15.460 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.167 -6.151 14.234 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.909 -7.333 15.418 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -3.373 -5.999 16.420 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.356 -4.673 15.440 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.932 -6.205 14.815 1.00 0.00 H new ATOM 491 N VAL A 96 -5.012 -5.188 12.847 1.00 0.00 N ATOM 492 CA VAL A 96 -5.841 -5.331 11.656 1.00 0.00 C ATOM 493 C VAL A 96 -5.018 -5.139 10.387 1.00 0.00 C ATOM 494 O VAL A 96 -5.059 -5.967 9.476 1.00 0.00 O ATOM 495 CB VAL A 96 -7.005 -4.322 11.658 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.837 -4.464 10.392 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.868 -4.508 12.896 1.00 0.00 C ATOM 0 H VAL A 96 -5.351 -4.497 13.516 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.247 -6.342 11.672 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.590 -3.314 11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.655 -3.743 10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.209 -4.277 9.521 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.244 -5.473 10.336 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.685 -3.787 12.881 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.276 -5.519 12.907 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.262 -4.352 13.789 1.00 0.00 H new ATOM 507 N LEU A 97 -4.272 -4.041 10.333 1.00 0.00 N ATOM 508 CA LEU A 97 -3.437 -3.739 9.175 1.00 0.00 C ATOM 509 C LEU A 97 -2.584 -4.943 8.790 1.00 0.00 C ATOM 510 O LEU A 97 -2.723 -5.491 7.696 1.00 0.00 O ATOM 511 CB LEU A 97 -2.539 -2.536 9.469 1.00 0.00 C ATOM 512 CG LEU A 97 -1.664 -2.053 8.312 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.525 -1.638 7.129 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.776 -0.901 8.759 1.00 0.00 C ATOM 0 H LEU A 97 -4.228 -3.345 11.077 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.093 -3.499 8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.170 -1.708 9.792 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.890 -2.788 10.308 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.024 -2.877 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.885 -1.297 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.117 -2.490 6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.191 -0.829 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.160 -0.570 7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.398 -0.074 9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.133 -1.233 9.574 1.00 0.00 H new ATOM 526 N ASP A 98 -1.703 -5.351 9.696 1.00 0.00 N ATOM 527 CA ASP A 98 -0.829 -6.493 9.453 1.00 0.00 C ATOM 528 C ASP A 98 -1.547 -7.563 8.637 1.00 0.00 C ATOM 529 O ASP A 98 -1.032 -8.034 7.623 1.00 0.00 O ATOM 530 CB ASP A 98 -0.345 -7.084 10.778 1.00 0.00 C ATOM 531 CG ASP A 98 0.937 -7.879 10.625 1.00 0.00 C ATOM 532 OD1 ASP A 98 1.873 -7.373 9.972 1.00 0.00 O ATOM 533 OD2 ASP A 98 1.003 -9.007 11.156 1.00 0.00 O ATOM 0 H ASP A 98 -1.575 -4.908 10.606 1.00 0.00 H new ATOM 0 HA ASP A 98 0.033 -6.144 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.186 -6.278 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -1.122 -7.729 11.190 1.00 0.00 H new ATOM 538 N SER A 99 -2.739 -7.943 9.087 1.00 0.00 N ATOM 539 CA SER A 99 -3.526 -8.961 8.401 1.00 0.00 C ATOM 540 C SER A 99 -3.859 -8.522 6.978 1.00 0.00 C ATOM 541 O SER A 99 -3.721 -9.296 6.029 1.00 0.00 O ATOM 542 CB SER A 99 -4.815 -9.246 9.174 1.00 0.00 C ATOM 543 OG SER A 99 -5.328 -10.527 8.855 1.00 0.00 O ATOM 0 H SER A 99 -3.181 -7.561 9.923 1.00 0.00 H new ATOM 0 HA SER A 99 -2.931 -9.873 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.622 -9.185 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.559 -8.484 8.940 1.00 0.00 H new ATOM 0 HG SER A 99 -6.151 -10.686 9.363 1.00 0.00 H new ATOM 549 N LEU A 100 -4.298 -7.277 6.837 1.00 0.00 N ATOM 550 CA LEU A 100 -4.652 -6.733 5.530 1.00 0.00 C ATOM 551 C LEU A 100 -3.474 -6.825 4.565 1.00 0.00 C ATOM 552 O LEU A 100 -3.643 -7.152 3.390 1.00 0.00 O ATOM 553 CB LEU A 100 -5.102 -5.278 5.666 1.00 0.00 C ATOM 554 CG LEU A 100 -6.528 -5.062 6.176 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.731 -3.613 6.593 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.541 -5.460 5.113 1.00 0.00 C ATOM 0 H LEU A 100 -4.418 -6.624 7.612 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.474 -7.325 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.415 -4.767 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.009 -4.797 4.692 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.681 -5.695 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.751 -3.477 6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.029 -3.361 7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.559 -2.961 5.737 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.550 -5.300 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.389 -4.853 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.411 -6.513 4.862 1.00 0.00 H new ATOM 568 N LEU A 101 -2.279 -6.535 5.070 1.00 0.00 N ATOM 569 CA LEU A 101 -1.071 -6.587 4.253 1.00 0.00 C ATOM 570 C LEU A 101 -0.794 -8.010 3.781 1.00 0.00 C ATOM 571 O LEU A 101 -0.884 -8.309 2.590 1.00 0.00 O ATOM 572 CB LEU A 101 0.126 -6.057 5.045 1.00 0.00 C ATOM 573 CG LEU A 101 -0.039 -4.669 5.664 1.00 0.00 C ATOM 574 CD1 LEU A 101 1.091 -4.381 6.640 1.00 0.00 C ATOM 575 CD2 LEU A 101 -0.093 -3.604 4.578 1.00 0.00 C ATOM 0 H LEU A 101 -2.121 -6.262 6.040 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.226 -5.958 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.350 -6.764 5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.993 -6.037 4.385 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.980 -4.647 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.956 -3.389 7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.083 -5.126 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.045 -4.422 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.211 -2.622 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.831 -3.626 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.938 -3.800 3.918 1.00 0.00 H new ATOM 587 N VAL A 102 -0.457 -8.886 4.723 1.00 0.00 N ATOM 588 CA VAL A 102 -0.170 -10.279 4.403 1.00 0.00 C ATOM 589 C VAL A 102 -1.285 -10.891 3.563 1.00 0.00 C ATOM 590 O VAL A 102 -1.032 -11.722 2.691 1.00 0.00 O ATOM 591 CB VAL A 102 0.017 -11.120 5.680 1.00 0.00 C ATOM 592 CG1 VAL A 102 1.165 -10.575 6.516 1.00 0.00 C ATOM 593 CG2 VAL A 102 -1.272 -11.155 6.488 1.00 0.00 C ATOM 0 H VAL A 102 -0.376 -8.655 5.713 1.00 0.00 H new ATOM 0 HA VAL A 102 0.758 -10.288 3.831 1.00 0.00 H new ATOM 0 HB VAL A 102 0.265 -12.141 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.282 -11.182 7.414 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.086 -10.607 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.951 -9.545 6.800 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -1.122 -11.753 7.387 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.552 -10.140 6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.067 -11.597 5.887 1.00 0.00 H new ATOM 603 N GLN A 103 -2.518 -10.474 3.831 1.00 0.00 N ATOM 604 CA GLN A 103 -3.672 -10.982 3.098 1.00 0.00 C ATOM 605 C GLN A 103 -3.444 -10.892 1.593 1.00 0.00 C ATOM 606 O GLN A 103 -3.722 -11.838 0.855 1.00 0.00 O ATOM 607 CB GLN A 103 -4.930 -10.203 3.484 1.00 0.00 C ATOM 608 CG GLN A 103 -5.598 -10.713 4.750 1.00 0.00 C ATOM 609 CD GLN A 103 -6.613 -11.806 4.476 1.00 0.00 C ATOM 610 OE1 GLN A 103 -6.359 -12.983 4.731 1.00 0.00 O ATOM 611 NE2 GLN A 103 -7.771 -11.420 3.952 1.00 0.00 N ATOM 0 H GLN A 103 -2.744 -9.786 4.550 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.807 -12.031 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.670 -9.153 3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.644 -10.252 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.836 -11.093 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -6.091 -9.883 5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.939 -10.433 3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.493 -12.111 3.745 1.00 0.00 H new ATOM 620 N TYR A 104 -2.937 -9.749 1.144 1.00 0.00 N ATOM 621 CA TYR A 104 -2.675 -9.534 -0.274 1.00 0.00 C ATOM 622 C TYR A 104 -1.581 -10.473 -0.774 1.00 0.00 C ATOM 623 O TYR A 104 -1.742 -11.145 -1.792 1.00 0.00 O ATOM 624 CB TYR A 104 -2.269 -8.081 -0.524 1.00 0.00 C ATOM 625 CG TYR A 104 -3.356 -7.083 -0.195 1.00 0.00 C ATOM 626 CD1 TYR A 104 -4.442 -6.904 -1.043 1.00 0.00 C ATOM 627 CD2 TYR A 104 -3.298 -6.321 0.965 1.00 0.00 C ATOM 628 CE1 TYR A 104 -5.437 -5.992 -0.746 1.00 0.00 C ATOM 629 CE2 TYR A 104 -4.289 -5.408 1.271 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.356 -5.247 0.411 1.00 0.00 C ATOM 631 OH TYR A 104 -6.346 -4.340 0.711 1.00 0.00 O ATOM 0 H TYR A 104 -2.699 -8.957 1.742 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.592 -9.748 -0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.385 -7.852 0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -1.987 -7.966 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -4.510 -7.487 -1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -2.464 -6.444 1.640 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.274 -5.864 -1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.229 -4.824 2.178 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.430 -4.257 1.684 1.00 0.00 H new ATOM 641 N GLY A 105 -0.467 -10.514 -0.049 1.00 0.00 N ATOM 642 CA GLY A 105 0.637 -11.373 -0.433 1.00 0.00 C ATOM 643 C GLY A 105 1.656 -11.538 0.677 1.00 0.00 C ATOM 644 O GLY A 105 1.334 -11.382 1.855 1.00 0.00 O ATOM 0 H GLY A 105 -0.310 -9.967 0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.250 -12.352 -0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.127 -10.958 -1.313 1.00 0.00 H new ATOM 648 N VAL A 106 2.891 -11.856 0.302 1.00 0.00 N ATOM 649 CA VAL A 106 3.961 -12.043 1.274 1.00 0.00 C ATOM 650 C VAL A 106 4.725 -10.745 1.508 1.00 0.00 C ATOM 651 O VAL A 106 5.669 -10.428 0.785 1.00 0.00 O ATOM 652 CB VAL A 106 4.950 -13.132 0.818 1.00 0.00 C ATOM 653 CG1 VAL A 106 6.119 -13.233 1.787 1.00 0.00 C ATOM 654 CG2 VAL A 106 4.242 -14.472 0.683 1.00 0.00 C ATOM 0 H VAL A 106 3.175 -11.989 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 106 3.490 -12.357 2.205 1.00 0.00 H new ATOM 0 HB VAL A 106 5.343 -12.854 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.807 -14.008 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.641 -12.277 1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.748 -13.487 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.956 -15.230 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.819 -14.759 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.443 -14.389 -0.054 1.00 0.00 H new ATOM 664 N VAL A 107 4.309 -9.995 2.525 1.00 0.00 N ATOM 665 CA VAL A 107 4.955 -8.730 2.856 1.00 0.00 C ATOM 666 C VAL A 107 6.359 -8.957 3.404 1.00 0.00 C ATOM 667 O VAL A 107 6.563 -8.997 4.617 1.00 0.00 O ATOM 668 CB VAL A 107 4.134 -7.935 3.888 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.868 -8.781 5.124 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.851 -6.646 4.259 1.00 0.00 C ATOM 0 H VAL A 107 3.528 -10.242 3.133 1.00 0.00 H new ATOM 0 HA VAL A 107 5.018 -8.155 1.932 1.00 0.00 H new ATOM 0 HB VAL A 107 3.174 -7.675 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.287 -8.203 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.311 -9.674 4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.816 -9.073 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.257 -6.096 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.825 -6.882 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.985 -6.035 3.367 1.00 0.00 H new ATOM 680 N GLU A 108 7.324 -9.105 2.502 1.00 0.00 N ATOM 681 CA GLU A 108 8.710 -9.328 2.897 1.00 0.00 C ATOM 682 C GLU A 108 9.054 -8.530 4.151 1.00 0.00 C ATOM 683 O GLU A 108 9.715 -9.033 5.059 1.00 0.00 O ATOM 684 CB GLU A 108 9.657 -8.942 1.758 1.00 0.00 C ATOM 685 CG GLU A 108 10.965 -9.714 1.767 1.00 0.00 C ATOM 686 CD GLU A 108 10.775 -11.183 2.093 1.00 0.00 C ATOM 687 OE1 GLU A 108 10.080 -11.876 1.320 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.319 -11.639 3.120 1.00 0.00 O ATOM 0 H GLU A 108 7.172 -9.075 1.494 1.00 0.00 H new ATOM 0 HA GLU A 108 8.831 -10.389 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.153 -9.108 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.874 -7.876 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.444 -9.621 0.792 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.640 -9.268 2.497 1.00 0.00 H new ATOM 695 N SER A 109 8.601 -7.281 4.193 1.00 0.00 N ATOM 696 CA SER A 109 8.863 -6.410 5.333 1.00 0.00 C ATOM 697 C SER A 109 7.991 -5.160 5.274 1.00 0.00 C ATOM 698 O SER A 109 7.758 -4.602 4.201 1.00 0.00 O ATOM 699 CB SER A 109 10.341 -6.014 5.370 1.00 0.00 C ATOM 700 OG SER A 109 11.094 -6.925 6.151 1.00 0.00 O ATOM 0 H SER A 109 8.051 -6.849 3.451 1.00 0.00 H new ATOM 0 HA SER A 109 8.618 -6.959 6.242 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.738 -5.985 4.355 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.441 -5.009 5.780 1.00 0.00 H new ATOM 0 HG SER A 109 10.799 -7.840 5.961 1.00 0.00 H new ATOM 706 N CYS A 110 7.512 -4.725 6.435 1.00 0.00 N ATOM 707 CA CYS A 110 6.665 -3.541 6.516 1.00 0.00 C ATOM 708 C CYS A 110 7.331 -2.452 7.351 1.00 0.00 C ATOM 709 O CYS A 110 7.284 -2.483 8.580 1.00 0.00 O ATOM 710 CB CYS A 110 5.306 -3.901 7.118 1.00 0.00 C ATOM 711 SG CYS A 110 4.161 -2.508 7.244 1.00 0.00 S ATOM 0 H CYS A 110 7.696 -5.174 7.332 1.00 0.00 H new ATOM 0 HA CYS A 110 6.518 -3.160 5.505 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.847 -4.681 6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.461 -4.321 8.112 1.00 0.00 H new ATOM 0 HG CYS A 110 3.040 -2.913 7.763 1.00 0.00 H new ATOM 717 N GLU A 111 7.953 -1.492 6.674 1.00 0.00 N ATOM 718 CA GLU A 111 8.631 -0.395 7.354 1.00 0.00 C ATOM 719 C GLU A 111 7.666 0.756 7.627 1.00 0.00 C ATOM 720 O GLU A 111 6.611 0.855 7.002 1.00 0.00 O ATOM 721 CB GLU A 111 9.811 0.103 6.516 1.00 0.00 C ATOM 722 CG GLU A 111 10.758 1.014 7.279 1.00 0.00 C ATOM 723 CD GLU A 111 11.339 0.350 8.513 1.00 0.00 C ATOM 724 OE1 GLU A 111 11.967 -0.720 8.370 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.165 0.900 9.620 1.00 0.00 O ATOM 0 H GLU A 111 8.001 -1.452 5.656 1.00 0.00 H new ATOM 0 HA GLU A 111 9.004 -0.768 8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.369 -0.756 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.428 0.637 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.570 1.321 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 111 10.227 1.919 7.574 1.00 0.00 H new ATOM 732 N GLN A 112 8.038 1.622 8.564 1.00 0.00 N ATOM 733 CA GLN A 112 7.205 2.765 8.920 1.00 0.00 C ATOM 734 C GLN A 112 7.724 4.041 8.267 1.00 0.00 C ATOM 735 O GLN A 112 8.894 4.129 7.895 1.00 0.00 O ATOM 736 CB GLN A 112 7.161 2.937 10.440 1.00 0.00 C ATOM 737 CG GLN A 112 5.985 3.768 10.924 1.00 0.00 C ATOM 738 CD GLN A 112 5.522 3.372 12.313 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.335 3.083 13.191 1.00 0.00 O ATOM 740 NE2 GLN A 112 4.210 3.356 12.517 1.00 0.00 N ATOM 0 H GLN A 112 8.909 1.554 9.090 1.00 0.00 H new ATOM 0 HA GLN A 112 6.196 2.576 8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.117 1.953 10.907 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.087 3.406 10.771 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.266 4.821 10.925 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.156 3.660 10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.573 3.603 11.760 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.839 3.097 13.431 1.00 0.00 H new ATOM 749 N VAL A 113 6.845 5.030 8.130 1.00 0.00 N ATOM 750 CA VAL A 113 7.215 6.302 7.522 1.00 0.00 C ATOM 751 C VAL A 113 6.323 7.431 8.026 1.00 0.00 C ATOM 752 O VAL A 113 5.238 7.191 8.553 1.00 0.00 O ATOM 753 CB VAL A 113 7.123 6.238 5.986 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.742 7.479 5.361 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.796 4.977 5.465 1.00 0.00 C ATOM 0 H VAL A 113 5.872 4.974 8.432 1.00 0.00 H new ATOM 0 HA VAL A 113 8.247 6.502 7.809 1.00 0.00 H new ATOM 0 HB VAL A 113 6.071 6.205 5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.667 7.415 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.212 8.365 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.791 7.547 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.722 4.948 4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.846 4.978 5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.303 4.101 5.886 1.00 0.00 H new ATOM 765 N ASN A 114 6.790 8.665 7.861 1.00 0.00 N ATOM 766 CA ASN A 114 6.035 9.833 8.300 1.00 0.00 C ATOM 767 C ASN A 114 6.073 10.934 7.244 1.00 0.00 C ATOM 768 O ASN A 114 7.118 11.538 6.998 1.00 0.00 O ATOM 769 CB ASN A 114 6.594 10.360 9.623 1.00 0.00 C ATOM 770 CG ASN A 114 7.201 9.260 10.473 1.00 0.00 C ATOM 771 OD1 ASN A 114 8.409 9.237 10.707 1.00 0.00 O ATOM 772 ND2 ASN A 114 6.362 8.342 10.939 1.00 0.00 N ATOM 0 H ASN A 114 7.687 8.881 7.427 1.00 0.00 H new ATOM 0 HA ASN A 114 4.998 9.530 8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 114 7.351 11.117 9.419 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.797 10.849 10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 114 6.712 7.578 11.517 1.00 0.00 H new ATOM 0 HD22 ASN A 114 5.368 8.401 10.719 1.00 0.00 H new ATOM 779 N THR A 115 4.927 11.191 6.623 1.00 0.00 N ATOM 780 CA THR A 115 4.829 12.218 5.593 1.00 0.00 C ATOM 781 C THR A 115 4.466 13.569 6.198 1.00 0.00 C ATOM 782 O THR A 115 3.879 14.422 5.530 1.00 0.00 O ATOM 783 CB THR A 115 3.780 11.847 4.528 1.00 0.00 C ATOM 784 OG1 THR A 115 3.893 12.725 3.402 1.00 0.00 O ATOM 785 CG2 THR A 115 2.373 11.928 5.101 1.00 0.00 C ATOM 0 H THR A 115 4.053 10.702 6.815 1.00 0.00 H new ATOM 0 HA THR A 115 5.808 12.286 5.119 1.00 0.00 H new ATOM 0 HB THR A 115 3.966 10.821 4.209 1.00 0.00 H new ATOM 0 HG1 THR A 115 3.834 13.655 3.705 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.650 11.662 4.330 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.281 11.237 5.939 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.178 12.944 5.445 1.00 0.00 H new ATOM 793 N ASP A 116 4.818 13.759 7.465 1.00 0.00 N ATOM 794 CA ASP A 116 4.531 15.009 8.159 1.00 0.00 C ATOM 795 C ASP A 116 3.031 15.287 8.180 1.00 0.00 C ATOM 796 O ASP A 116 2.598 16.424 7.993 1.00 0.00 O ATOM 797 CB ASP A 116 5.268 16.170 7.490 1.00 0.00 C ATOM 798 CG ASP A 116 6.758 16.146 7.767 1.00 0.00 C ATOM 799 OD1 ASP A 116 7.405 15.127 7.446 1.00 0.00 O ATOM 800 OD2 ASP A 116 7.278 17.146 8.305 1.00 0.00 O ATOM 0 H ASP A 116 5.302 13.063 8.032 1.00 0.00 H new ATOM 0 HA ASP A 116 4.879 14.913 9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.101 16.131 6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.851 17.113 7.843 1.00 0.00 H new ATOM 805 N SER A 117 2.244 14.240 8.408 1.00 0.00 N ATOM 806 CA SER A 117 0.792 14.371 8.448 1.00 0.00 C ATOM 807 C SER A 117 0.205 13.554 9.596 1.00 0.00 C ATOM 808 O SER A 117 0.851 12.649 10.121 1.00 0.00 O ATOM 809 CB SER A 117 0.181 13.918 7.121 1.00 0.00 C ATOM 810 OG SER A 117 -1.104 14.484 6.931 1.00 0.00 O ATOM 0 H SER A 117 2.587 13.293 8.568 1.00 0.00 H new ATOM 0 HA SER A 117 0.551 15.421 8.611 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.835 14.208 6.298 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.109 12.831 7.103 1.00 0.00 H new ATOM 0 HG SER A 117 -1.472 14.180 6.075 1.00 0.00 H new ATOM 816 N GLU A 118 -1.025 13.883 9.979 1.00 0.00 N ATOM 817 CA GLU A 118 -1.699 13.181 11.065 1.00 0.00 C ATOM 818 C GLU A 118 -1.836 11.694 10.750 1.00 0.00 C ATOM 819 O GLU A 118 -1.386 10.841 11.515 1.00 0.00 O ATOM 820 CB GLU A 118 -3.081 13.790 11.315 1.00 0.00 C ATOM 821 CG GLU A 118 -3.072 14.925 12.325 1.00 0.00 C ATOM 822 CD GLU A 118 -4.351 15.739 12.298 1.00 0.00 C ATOM 823 OE1 GLU A 118 -4.894 15.954 11.194 1.00 0.00 O ATOM 824 OE2 GLU A 118 -4.809 16.161 13.381 1.00 0.00 O ATOM 0 H GLU A 118 -1.574 14.630 9.554 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.093 13.290 11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.483 14.158 10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.755 13.008 11.665 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.927 14.516 13.325 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.224 15.580 12.123 1.00 0.00 H new ATOM 831 N THR A 119 -2.461 11.391 9.616 1.00 0.00 N ATOM 832 CA THR A 119 -2.659 10.008 9.199 1.00 0.00 C ATOM 833 C THR A 119 -1.377 9.198 9.354 1.00 0.00 C ATOM 834 O THR A 119 -0.285 9.758 9.437 1.00 0.00 O ATOM 835 CB THR A 119 -3.133 9.925 7.736 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.236 10.652 6.889 1.00 0.00 O ATOM 837 CG2 THR A 119 -4.541 10.482 7.590 1.00 0.00 C ATOM 0 H THR A 119 -2.839 12.085 8.970 1.00 0.00 H new ATOM 0 HA THR A 119 -3.430 9.590 9.847 1.00 0.00 H new ATOM 0 HB THR A 119 -3.143 8.876 7.439 1.00 0.00 H new ATOM 0 HG1 THR A 119 -2.543 10.593 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 119 -4.854 10.413 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.226 9.907 8.213 1.00 0.00 H new ATOM 0 HG23 THR A 119 -4.554 11.526 7.904 1.00 0.00 H new ATOM 845 N ALA A 120 -1.518 7.877 9.391 1.00 0.00 N ATOM 846 CA ALA A 120 -0.370 6.990 9.532 1.00 0.00 C ATOM 847 C ALA A 120 0.227 6.644 8.172 1.00 0.00 C ATOM 848 O ALA A 120 -0.498 6.390 7.211 1.00 0.00 O ATOM 849 CB ALA A 120 -0.771 5.723 10.273 1.00 0.00 C ATOM 0 H ALA A 120 -2.416 7.398 9.325 1.00 0.00 H new ATOM 0 HA ALA A 120 0.392 7.511 10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.096 5.069 10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.144 5.983 11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.553 5.207 9.715 1.00 0.00 H new ATOM 855 N VAL A 121 1.554 6.636 8.099 1.00 0.00 N ATOM 856 CA VAL A 121 2.249 6.321 6.857 1.00 0.00 C ATOM 857 C VAL A 121 3.216 5.158 7.048 1.00 0.00 C ATOM 858 O VAL A 121 4.046 5.169 7.957 1.00 0.00 O ATOM 859 CB VAL A 121 3.028 7.539 6.324 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.782 7.177 5.054 1.00 0.00 C ATOM 861 CG2 VAL A 121 2.085 8.708 6.080 1.00 0.00 C ATOM 0 H VAL A 121 2.169 6.844 8.885 1.00 0.00 H new ATOM 0 HA VAL A 121 1.486 6.041 6.131 1.00 0.00 H new ATOM 0 HB VAL A 121 3.757 7.840 7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.326 8.050 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.486 6.372 5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.075 6.849 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.651 9.560 5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.332 8.421 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.596 8.982 7.015 1.00 0.00 H new ATOM 871 N VAL A 122 3.103 4.154 6.184 1.00 0.00 N ATOM 872 CA VAL A 122 3.969 2.983 6.256 1.00 0.00 C ATOM 873 C VAL A 122 4.312 2.467 4.863 1.00 0.00 C ATOM 874 O VAL A 122 3.537 2.628 3.922 1.00 0.00 O ATOM 875 CB VAL A 122 3.311 1.848 7.064 1.00 0.00 C ATOM 876 CG1 VAL A 122 3.077 2.283 8.502 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.008 1.415 6.410 1.00 0.00 C ATOM 0 H VAL A 122 2.421 4.128 5.426 1.00 0.00 H new ATOM 0 HA VAL A 122 4.884 3.296 6.760 1.00 0.00 H new ATOM 0 HB VAL A 122 3.987 0.993 7.074 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.612 1.469 9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.030 2.539 8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.421 3.153 8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.557 0.613 6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.323 2.262 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.209 1.059 5.399 1.00 0.00 H new ATOM 887 N ASN A 123 5.480 1.844 4.740 1.00 0.00 N ATOM 888 CA ASN A 123 5.927 1.304 3.461 1.00 0.00 C ATOM 889 C ASN A 123 5.826 -0.218 3.449 1.00 0.00 C ATOM 890 O ASN A 123 6.336 -0.893 4.344 1.00 0.00 O ATOM 891 CB ASN A 123 7.369 1.733 3.179 1.00 0.00 C ATOM 892 CG ASN A 123 7.473 3.199 2.807 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.467 3.858 2.543 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.695 3.718 2.783 1.00 0.00 N ATOM 0 H ASN A 123 6.133 1.701 5.510 1.00 0.00 H new ATOM 0 HA ASN A 123 5.278 1.700 2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.982 1.540 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.774 1.126 2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.828 4.699 2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.501 3.135 3.009 1.00 0.00 H new ATOM 901 N VAL A 124 5.165 -0.754 2.428 1.00 0.00 N ATOM 902 CA VAL A 124 4.998 -2.196 2.297 1.00 0.00 C ATOM 903 C VAL A 124 5.993 -2.776 1.298 1.00 0.00 C ATOM 904 O VAL A 124 6.188 -2.231 0.211 1.00 0.00 O ATOM 905 CB VAL A 124 3.569 -2.558 1.850 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.460 -4.047 1.564 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.558 -2.134 2.905 1.00 0.00 C ATOM 0 H VAL A 124 4.736 -0.210 1.679 1.00 0.00 H new ATOM 0 HA VAL A 124 5.183 -2.626 3.281 1.00 0.00 H new ATOM 0 HB VAL A 124 3.347 -2.019 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.443 -4.284 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.157 -4.317 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.701 -4.609 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.554 -2.397 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.775 -2.644 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.620 -1.056 3.056 1.00 0.00 H new ATOM 917 N THR A 125 6.621 -3.886 1.673 1.00 0.00 N ATOM 918 CA THR A 125 7.597 -4.541 0.811 1.00 0.00 C ATOM 919 C THR A 125 7.256 -6.014 0.614 1.00 0.00 C ATOM 920 O THR A 125 7.583 -6.853 1.454 1.00 0.00 O ATOM 921 CB THR A 125 9.021 -4.427 1.386 1.00 0.00 C ATOM 922 OG1 THR A 125 9.178 -3.173 2.061 1.00 0.00 O ATOM 923 CG2 THR A 125 10.062 -4.549 0.283 1.00 0.00 C ATOM 0 H THR A 125 6.471 -4.350 2.569 1.00 0.00 H new ATOM 0 HA THR A 125 7.561 -4.031 -0.152 1.00 0.00 H new ATOM 0 HB THR A 125 9.169 -5.242 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.776 -3.229 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.060 -4.465 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.959 -5.516 -0.209 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.914 -3.753 -0.447 1.00 0.00 H new ATOM 931 N TYR A 126 6.600 -6.321 -0.499 1.00 0.00 N ATOM 932 CA TYR A 126 6.214 -7.693 -0.804 1.00 0.00 C ATOM 933 C TYR A 126 7.348 -8.435 -1.505 1.00 0.00 C ATOM 934 O TYR A 126 7.975 -7.907 -2.423 1.00 0.00 O ATOM 935 CB TYR A 126 4.960 -7.710 -1.680 1.00 0.00 C ATOM 936 CG TYR A 126 3.705 -7.291 -0.949 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.183 -8.069 0.078 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.041 -6.117 -1.284 1.00 0.00 C ATOM 939 CE1 TYR A 126 2.036 -7.690 0.748 1.00 0.00 C ATOM 940 CE2 TYR A 126 1.894 -5.730 -0.618 1.00 0.00 C ATOM 941 CZ TYR A 126 1.395 -6.520 0.397 1.00 0.00 C ATOM 942 OH TYR A 126 0.253 -6.139 1.063 1.00 0.00 O ATOM 0 H TYR A 126 6.324 -5.638 -1.205 1.00 0.00 H new ATOM 0 HA TYR A 126 5.999 -8.200 0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.113 -7.047 -2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.820 -8.714 -2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.683 -8.985 0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.428 -5.496 -2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.643 -8.307 1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.391 -4.814 -0.890 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.107 -6.904 1.559 1.00 0.00 H new ATOM 952 N SER A 127 7.604 -9.663 -1.066 1.00 0.00 N ATOM 953 CA SER A 127 8.664 -10.478 -1.648 1.00 0.00 C ATOM 954 C SER A 127 8.600 -10.443 -3.172 1.00 0.00 C ATOM 955 O SER A 127 9.600 -10.176 -3.840 1.00 0.00 O ATOM 956 CB SER A 127 8.555 -11.922 -1.155 1.00 0.00 C ATOM 957 OG SER A 127 9.739 -12.647 -1.437 1.00 0.00 O ATOM 0 H SER A 127 7.092 -10.116 -0.309 1.00 0.00 H new ATOM 0 HA SER A 127 9.622 -10.065 -1.332 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.367 -11.930 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.704 -12.409 -1.631 1.00 0.00 H new ATOM 0 HG SER A 127 10.306 -12.670 -0.638 1.00 0.00 H new ATOM 963 N SER A 128 7.418 -10.715 -3.715 1.00 0.00 N ATOM 964 CA SER A 128 7.224 -10.719 -5.161 1.00 0.00 C ATOM 965 C SER A 128 6.560 -9.425 -5.623 1.00 0.00 C ATOM 966 O SER A 128 6.044 -8.654 -4.814 1.00 0.00 O ATOM 967 CB SER A 128 6.373 -11.919 -5.579 1.00 0.00 C ATOM 968 OG SER A 128 7.080 -13.134 -5.397 1.00 0.00 O ATOM 0 H SER A 128 6.580 -10.935 -3.176 1.00 0.00 H new ATOM 0 HA SER A 128 8.203 -10.794 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.454 -11.938 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.083 -11.817 -6.625 1.00 0.00 H new ATOM 0 HG SER A 128 6.514 -13.886 -5.670 1.00 0.00 H new ATOM 974 N LYS A 129 6.578 -9.194 -6.931 1.00 0.00 N ATOM 975 CA LYS A 129 5.977 -7.995 -7.505 1.00 0.00 C ATOM 976 C LYS A 129 4.458 -8.116 -7.551 1.00 0.00 C ATOM 977 O LYS A 129 3.742 -7.281 -6.998 1.00 0.00 O ATOM 978 CB LYS A 129 6.523 -7.751 -8.914 1.00 0.00 C ATOM 979 CG LYS A 129 6.210 -6.366 -9.455 1.00 0.00 C ATOM 980 CD LYS A 129 7.122 -5.312 -8.852 1.00 0.00 C ATOM 981 CE LYS A 129 8.526 -5.391 -9.431 1.00 0.00 C ATOM 982 NZ LYS A 129 8.546 -5.064 -10.884 1.00 0.00 N ATOM 0 H LYS A 129 7.002 -9.821 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 129 6.237 -7.149 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 129 7.604 -7.893 -8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.108 -8.499 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.319 -6.365 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.171 -6.116 -9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.707 -4.321 -9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.166 -5.443 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 129 9.179 -4.703 -8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.926 -6.394 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.517 -4.830 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.210 -5.884 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.925 -4.250 -11.065 1.00 0.00 H new ATOM 996 N ASP A 130 3.972 -9.161 -8.212 1.00 0.00 N ATOM 997 CA ASP A 130 2.537 -9.393 -8.327 1.00 0.00 C ATOM 998 C ASP A 130 1.848 -9.218 -6.977 1.00 0.00 C ATOM 999 O ASP A 130 0.868 -8.482 -6.861 1.00 0.00 O ATOM 1000 CB ASP A 130 2.267 -10.796 -8.873 1.00 0.00 C ATOM 1001 CG ASP A 130 2.487 -10.886 -10.371 1.00 0.00 C ATOM 1002 OD1 ASP A 130 2.156 -9.913 -11.078 1.00 0.00 O ATOM 1003 OD2 ASP A 130 2.990 -11.931 -10.835 1.00 0.00 O ATOM 0 H ASP A 130 4.551 -9.861 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 130 2.130 -8.657 -9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.918 -11.510 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 130 1.241 -11.082 -8.641 1.00 0.00 H new ATOM 1008 N GLN A 131 2.365 -9.901 -5.962 1.00 0.00 N ATOM 1009 CA GLN A 131 1.798 -9.822 -4.621 1.00 0.00 C ATOM 1010 C GLN A 131 1.530 -8.373 -4.227 1.00 0.00 C ATOM 1011 O GLN A 131 0.637 -8.092 -3.429 1.00 0.00 O ATOM 1012 CB GLN A 131 2.741 -10.473 -3.606 1.00 0.00 C ATOM 1013 CG GLN A 131 2.630 -11.988 -3.557 1.00 0.00 C ATOM 1014 CD GLN A 131 3.929 -12.655 -3.151 1.00 0.00 C ATOM 1015 OE1 GLN A 131 4.701 -11.982 -2.306 1.00 0.00 O flip ATOM 1016 NE2 GLN A 131 4.235 -13.764 -3.591 1.00 0.00 N flip ATOM 0 H GLN A 131 3.175 -10.515 -6.042 1.00 0.00 H new ATOM 0 HA GLN A 131 0.850 -10.360 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.768 -10.200 -3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 131 2.530 -10.069 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 131 1.846 -12.269 -2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 131 2.326 -12.358 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 131 3.611 -14.246 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 131 5.112 -14.201 -3.308 1.00 0.00 H new ATOM 1025 N ALA A 132 2.310 -7.458 -4.793 1.00 0.00 N ATOM 1026 CA ALA A 132 2.156 -6.038 -4.502 1.00 0.00 C ATOM 1027 C ALA A 132 1.100 -5.405 -5.402 1.00 0.00 C ATOM 1028 O ALA A 132 0.272 -4.617 -4.944 1.00 0.00 O ATOM 1029 CB ALA A 132 3.487 -5.319 -4.662 1.00 0.00 C ATOM 0 H ALA A 132 3.055 -7.675 -5.455 1.00 0.00 H new ATOM 0 HA ALA A 132 1.823 -5.938 -3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.357 -4.259 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.216 -5.746 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 132 3.843 -5.436 -5.686 1.00 0.00 H new ATOM 1035 N ARG A 133 1.134 -5.755 -6.684 1.00 0.00 N ATOM 1036 CA ARG A 133 0.180 -5.220 -7.648 1.00 0.00 C ATOM 1037 C ARG A 133 -1.215 -5.125 -7.037 1.00 0.00 C ATOM 1038 O ARG A 133 -1.837 -4.063 -7.050 1.00 0.00 O ATOM 1039 CB ARG A 133 0.141 -6.097 -8.900 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.816 -5.593 -9.968 1.00 0.00 C ATOM 1041 CD ARG A 133 -0.126 -4.638 -10.929 1.00 0.00 C ATOM 1042 NE ARG A 133 -1.083 -3.890 -11.739 1.00 0.00 N ATOM 1043 CZ ARG A 133 -0.737 -3.133 -12.774 1.00 0.00 C ATOM 1044 NH1 ARG A 133 0.537 -3.025 -13.124 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -1.667 -2.483 -13.463 1.00 0.00 N ATOM 0 H ARG A 133 1.812 -6.407 -7.079 1.00 0.00 H new ATOM 0 HA ARG A 133 0.506 -4.217 -7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.144 -6.157 -9.322 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.146 -7.109 -8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.222 -6.439 -10.523 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.658 -5.089 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.494 -3.941 -10.365 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.541 -5.200 -11.583 1.00 0.00 H new ATOM 0 HE ARG A 133 -2.072 -3.952 -11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.254 -3.524 -12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.800 -2.443 -13.919 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -2.649 -2.565 -13.198 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -1.400 -1.902 -14.258 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.699 -6.242 -6.504 1.00 0.00 N ATOM 1060 CA GLN A 134 -3.021 -6.284 -5.890 1.00 0.00 C ATOM 1061 C GLN A 134 -3.097 -5.338 -4.696 1.00 0.00 C ATOM 1062 O GLN A 134 -3.895 -4.400 -4.685 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.356 -7.710 -5.448 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.843 -8.025 -5.487 1.00 0.00 C ATOM 1065 CD GLN A 134 -5.480 -7.671 -6.816 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -4.925 -7.954 -7.879 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -6.651 -7.047 -6.764 1.00 0.00 N ATOM 0 H GLN A 134 -1.196 -7.129 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.750 -5.961 -6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.827 -8.414 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.987 -7.863 -4.434 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -4.991 -9.087 -5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.347 -7.479 -4.690 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -7.075 -6.832 -5.861 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -7.127 -6.783 -7.627 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.263 -5.590 -3.693 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.235 -4.760 -2.495 1.00 0.00 C ATOM 1078 C ALA A 135 -2.529 -3.302 -2.831 1.00 0.00 C ATOM 1079 O ALA A 135 -3.408 -2.681 -2.231 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.887 -4.882 -1.800 1.00 0.00 C ATOM 0 H ALA A 135 -1.597 -6.363 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 135 -3.013 -5.114 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.880 -4.257 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.716 -5.921 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.098 -4.556 -2.477 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.789 -2.760 -3.792 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.971 -1.374 -4.208 1.00 0.00 C ATOM 1088 C LEU A 136 -3.250 -1.212 -5.023 1.00 0.00 C ATOM 1089 O LEU A 136 -4.095 -0.374 -4.711 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.767 -0.905 -5.027 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.955 0.394 -5.813 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.393 0.999 -6.173 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.782 0.144 -7.066 1.00 0.00 C ATOM 0 H LEU A 136 -1.057 -3.259 -4.298 1.00 0.00 H new ATOM 0 HA LEU A 136 -2.055 -0.760 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.079 -0.779 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.500 -1.695 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.492 1.103 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.240 1.922 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.950 1.215 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.957 0.294 -6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.906 1.079 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -1.272 -0.582 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.761 -0.244 -6.784 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.385 -2.022 -6.068 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.563 -1.971 -6.926 1.00 0.00 C ATOM 1107 C ASP A 137 -5.839 -1.891 -6.094 1.00 0.00 C ATOM 1108 O ASP A 137 -6.882 -1.451 -6.578 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.609 -3.199 -7.837 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.876 -2.977 -9.146 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -3.640 -1.804 -9.501 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -3.539 -3.977 -9.814 1.00 0.00 O ATOM 0 H ASP A 137 -2.694 -2.721 -6.341 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.496 -1.074 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -4.169 -4.050 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.648 -3.455 -8.045 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.749 -2.321 -4.840 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.896 -2.298 -3.940 1.00 0.00 C ATOM 1119 C LYS A 138 -6.737 -1.209 -2.884 1.00 0.00 C ATOM 1120 O LYS A 138 -7.528 -0.267 -2.825 1.00 0.00 O ATOM 1121 CB LYS A 138 -7.065 -3.660 -3.262 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.274 -4.804 -4.239 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.715 -4.877 -4.712 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.562 -5.740 -3.790 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.129 -4.954 -2.659 1.00 0.00 N ATOM 0 H LYS A 138 -4.894 -2.690 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.786 -2.080 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.183 -3.867 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.915 -3.615 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.615 -4.676 -5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -6.998 -5.745 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -9.135 -3.872 -4.759 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.747 -5.283 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -10.373 -6.193 -4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.955 -6.556 -3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.021 -5.389 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -9.453 -4.945 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.310 -3.978 -2.970 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.709 -1.343 -2.052 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.445 -0.369 -0.999 1.00 0.00 C ATOM 1141 C LEU A 139 -5.482 1.053 -1.550 1.00 0.00 C ATOM 1142 O LEU A 139 -6.037 1.956 -0.926 1.00 0.00 O ATOM 1143 CB LEU A 139 -4.086 -0.643 -0.353 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.955 -1.967 0.400 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.493 -2.279 0.681 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.751 -1.925 1.696 1.00 0.00 C ATOM 0 H LEU A 139 -5.045 -2.117 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.225 -0.466 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.324 -0.614 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.865 0.169 0.340 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.361 -2.761 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.419 -3.225 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.949 -2.353 -0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -2.061 -1.483 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.646 -2.876 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.375 -1.120 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.803 -1.749 1.471 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.889 1.242 -2.724 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.856 2.554 -3.361 1.00 0.00 C ATOM 1160 C ASN A 140 -6.217 3.238 -3.268 1.00 0.00 C ATOM 1161 O ASN A 140 -6.311 4.464 -3.311 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.438 2.422 -4.827 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.773 3.660 -5.637 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.927 3.879 -6.007 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.763 4.475 -5.917 1.00 0.00 N ATOM 0 H ASN A 140 -4.425 0.504 -3.254 1.00 0.00 H new ATOM 0 HA ASN A 140 -4.124 3.167 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.366 2.235 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.935 1.557 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.927 5.323 -6.460 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.823 4.253 -5.589 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.269 2.436 -3.140 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.610 2.982 -3.042 1.00 0.00 C ATOM 1174 C GLY A 141 -9.416 2.344 -1.928 1.00 0.00 C ATOM 1175 O GLY A 141 -10.579 2.690 -1.716 1.00 0.00 O ATOM 0 H GLY A 141 -7.217 1.418 -3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.550 4.057 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.128 2.837 -3.990 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.800 1.407 -1.216 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.469 0.716 -0.119 1.00 0.00 C ATOM 1181 C PHE A 142 -9.907 1.704 0.958 1.00 0.00 C ATOM 1182 O PHE A 142 -9.086 2.205 1.726 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.542 -0.339 0.488 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.221 -1.229 1.489 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.626 -0.730 2.716 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.455 -2.564 1.203 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -10.251 -1.547 3.640 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -10.080 -3.386 2.122 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.479 -2.876 3.342 1.00 0.00 C ATOM 0 H PHE A 142 -7.838 1.108 -1.378 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.356 0.224 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.131 -0.954 -0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.702 0.161 0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.452 0.309 2.954 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.145 -2.968 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.561 -1.146 4.594 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.256 -4.425 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.968 -3.515 4.062 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.207 1.977 1.008 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.755 2.905 1.990 1.00 0.00 C ATOM 1201 C GLN A 143 -11.854 2.249 3.363 1.00 0.00 C ATOM 1202 O GLN A 143 -12.479 1.199 3.517 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.134 3.396 1.545 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.526 4.737 2.144 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.996 5.053 1.956 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.354 5.999 1.253 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.858 4.263 2.585 1.00 0.00 N ATOM 0 H GLN A 143 -11.900 1.569 0.380 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.080 3.758 2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.149 3.475 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.881 2.652 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.292 4.737 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.928 5.524 1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.518 3.490 3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.860 4.429 2.496 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.233 2.874 4.357 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.251 2.351 5.719 1.00 0.00 C ATOM 1218 C LEU A 144 -11.417 3.478 6.733 1.00 0.00 C ATOM 1219 O LEU A 144 -10.582 4.378 6.817 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.963 1.577 6.006 1.00 0.00 C ATOM 1221 CG LEU A 144 -10.027 0.568 7.153 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.776 -0.297 7.174 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -10.206 1.284 8.484 1.00 0.00 C ATOM 0 H LEU A 144 -10.711 3.743 4.246 1.00 0.00 H new ATOM 0 HA LEU A 144 -12.102 1.676 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.671 1.048 5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -9.172 2.295 6.224 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.889 -0.080 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.840 -1.009 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.692 -0.838 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.899 0.335 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -10.250 0.550 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -9.365 1.957 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -11.132 1.859 8.466 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.500 3.420 7.503 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.774 4.436 8.513 1.00 0.00 C ATOM 1237 C GLU A 145 -12.966 5.806 7.868 1.00 0.00 C ATOM 1238 O GLU A 145 -12.665 6.835 8.472 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.633 4.494 9.531 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.709 3.409 10.592 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.167 3.865 11.933 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -11.281 5.071 12.239 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.629 3.018 12.676 1.00 0.00 O ATOM 0 H GLU A 145 -13.201 2.681 7.447 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.696 4.163 9.026 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.683 4.409 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.642 5.469 10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.746 3.095 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.148 2.537 10.255 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.468 5.809 6.638 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.699 7.052 5.910 1.00 0.00 C ATOM 1252 C ASN A 146 -12.383 7.650 5.424 1.00 0.00 C ATOM 1253 O ASN A 146 -12.267 8.864 5.250 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.433 8.058 6.798 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.560 7.419 7.587 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.323 6.692 8.551 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.794 7.690 7.179 1.00 0.00 N ATOM 0 H ASN A 146 -13.723 4.965 6.124 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.317 6.826 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.724 8.515 7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.836 8.859 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.593 7.290 7.670 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.943 8.299 6.374 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.393 6.791 5.206 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.084 7.234 4.740 1.00 0.00 C ATOM 1266 C PHE A 147 -9.611 6.389 3.561 1.00 0.00 C ATOM 1267 O PHE A 147 -9.186 5.246 3.732 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.063 7.161 5.877 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.079 8.365 6.775 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.501 9.557 6.369 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.672 8.304 8.026 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.514 10.666 7.194 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.689 9.410 8.854 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.108 10.592 8.438 1.00 0.00 C ATOM 0 H PHE A 147 -11.472 5.784 5.345 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.175 8.268 4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.259 6.270 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.066 7.048 5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.035 9.620 5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.126 7.382 8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.060 11.589 6.866 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.156 9.350 9.826 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.118 11.457 9.085 1.00 0.00 H new ATOM 1284 N THR A 148 -9.689 6.959 2.362 1.00 0.00 N ATOM 1285 CA THR A 148 -9.271 6.258 1.155 1.00 0.00 C ATOM 1286 C THR A 148 -7.763 6.035 1.142 1.00 0.00 C ATOM 1287 O THR A 148 -7.003 6.889 0.683 1.00 0.00 O ATOM 1288 CB THR A 148 -9.674 7.035 -0.113 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.020 7.509 0.010 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.552 6.156 -1.348 1.00 0.00 C ATOM 0 H THR A 148 -10.038 7.904 2.202 1.00 0.00 H new ATOM 0 HA THR A 148 -9.778 5.293 1.159 1.00 0.00 H new ATOM 0 HB THR A 148 -8.999 7.884 -0.222 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.268 8.003 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.842 6.726 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.520 5.820 -1.455 1.00 0.00 H new ATOM 0 HG23 THR A 148 -10.206 5.290 -1.245 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.336 4.883 1.648 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.917 4.547 1.694 1.00 0.00 C ATOM 1300 C LEU A 149 -5.244 4.842 0.357 1.00 0.00 C ATOM 1301 O LEU A 149 -5.636 4.306 -0.680 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.734 3.072 2.056 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.454 2.596 3.318 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.232 1.107 3.529 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.981 3.385 4.531 1.00 0.00 C ATOM 0 H LEU A 149 -7.952 4.166 2.032 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.447 5.164 2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.077 2.467 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.668 2.877 2.175 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.523 2.769 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.752 0.786 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.620 0.556 2.672 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.165 0.910 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.504 3.033 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.908 3.244 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.192 4.444 4.381 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.227 5.697 0.389 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.495 6.061 -0.818 1.00 0.00 C ATOM 1319 C LYS A 150 -2.226 5.228 -0.958 1.00 0.00 C ATOM 1320 O LYS A 150 -1.365 5.237 -0.077 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.141 7.550 -0.795 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.329 8.454 -0.518 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.169 9.808 -1.189 1.00 0.00 C ATOM 1324 CE LYS A 150 -4.771 9.812 -2.585 1.00 0.00 C ATOM 1325 NZ LYS A 150 -3.918 9.077 -3.560 1.00 0.00 N ATOM 0 H LYS A 150 -3.891 6.151 1.238 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.136 5.859 -1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.379 7.722 -0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.702 7.825 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.242 7.976 -0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.440 8.591 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -4.650 10.575 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.111 10.064 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.761 9.358 -2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.902 10.841 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.228 9.298 -4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.926 9.365 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -4.004 8.054 -3.394 1.00 0.00 H new ATOM 1339 N VAL A 151 -2.114 4.508 -2.070 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.949 3.671 -2.326 1.00 0.00 C ATOM 1341 C VAL A 151 -0.272 4.056 -3.637 1.00 0.00 C ATOM 1342 O VAL A 151 -0.939 4.307 -4.641 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.329 2.180 -2.376 1.00 0.00 C ATOM 1344 CG1 VAL A 151 -0.089 1.318 -2.565 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -2.079 1.779 -1.115 1.00 0.00 C ATOM 0 H VAL A 151 -2.817 4.488 -2.808 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.255 3.834 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.987 2.020 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -0.378 0.267 -2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.403 1.588 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.597 1.480 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.340 0.722 -1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.447 1.954 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.989 2.373 -1.028 1.00 0.00 H new ATOM 1355 N ALA A 152 1.056 4.102 -3.621 1.00 0.00 N ATOM 1356 CA ALA A 152 1.823 4.454 -4.809 1.00 0.00 C ATOM 1357 C ALA A 152 3.164 3.728 -4.832 1.00 0.00 C ATOM 1358 O ALA A 152 3.814 3.573 -3.798 1.00 0.00 O ATOM 1359 CB ALA A 152 2.034 5.959 -4.874 1.00 0.00 C ATOM 0 H ALA A 152 1.623 3.900 -2.798 1.00 0.00 H new ATOM 0 HA ALA A 152 1.255 4.140 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.608 6.208 -5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.067 6.461 -4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.578 6.289 -3.989 1.00 0.00 H new ATOM 1365 N TYR A 153 3.571 3.285 -6.015 1.00 0.00 N ATOM 1366 CA TYR A 153 4.834 2.573 -6.172 1.00 0.00 C ATOM 1367 C TYR A 153 6.017 3.486 -5.864 1.00 0.00 C ATOM 1368 O TYR A 153 6.314 4.411 -6.621 1.00 0.00 O ATOM 1369 CB TYR A 153 4.959 2.019 -7.592 1.00 0.00 C ATOM 1370 CG TYR A 153 4.285 0.678 -7.781 1.00 0.00 C ATOM 1371 CD1 TYR A 153 4.797 -0.468 -7.186 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.137 0.559 -8.554 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.185 -1.695 -7.357 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.517 -0.663 -8.729 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.046 -1.787 -8.129 1.00 0.00 C ATOM 1376 OH TYR A 153 2.432 -3.007 -8.300 1.00 0.00 O ATOM 0 H TYR A 153 3.045 3.406 -6.880 1.00 0.00 H new ATOM 0 HA TYR A 153 4.844 1.744 -5.464 1.00 0.00 H new ATOM 0 HB2 TYR A 153 4.527 2.735 -8.291 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.015 1.924 -7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 153 5.688 -0.399 -6.580 1.00 0.00 H new ATOM 0 HD2 TYR A 153 2.722 1.437 -9.026 1.00 0.00 H new ATOM 0 HE1 TYR A 153 4.596 -2.577 -6.889 1.00 0.00 H new ATOM 0 HE2 TYR A 153 1.624 -0.738 -9.332 1.00 0.00 H new ATOM 0 HH TYR A 153 2.584 -3.564 -7.508 1.00 0.00 H new ATOM 1386 N ILE A 154 6.688 3.219 -4.749 1.00 0.00 N ATOM 1387 CA ILE A 154 7.839 4.015 -4.341 1.00 0.00 C ATOM 1388 C ILE A 154 8.958 3.931 -5.373 1.00 0.00 C ATOM 1389 O ILE A 154 9.261 2.866 -5.912 1.00 0.00 O ATOM 1390 CB ILE A 154 8.382 3.560 -2.974 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.287 3.657 -1.908 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.589 4.397 -2.578 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.769 3.317 -0.515 1.00 0.00 C ATOM 0 H ILE A 154 6.455 2.457 -4.112 1.00 0.00 H new ATOM 0 HA ILE A 154 7.497 5.047 -4.262 1.00 0.00 H new ATOM 0 HB ILE A 154 8.696 2.519 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 154 6.881 4.669 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.470 2.986 -2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 154 9.961 4.063 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.373 4.283 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.299 5.446 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 154 6.941 3.407 0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.148 2.295 -0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.565 4.004 -0.228 1.00 0.00 H new