USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 LYS NZ :NH3+ -131:sc=-0.00909 (180deg=-0.143) USER MOD Single : A 23 GLN : amide:sc= -0.366 K(o=-0.37,f=-2.4!) USER MOD Single : A 24 GLN : amide:sc= 0.296 K(o=0.3,f=-0.68) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 33 MET CE :methyl -134:sc= -8.8! (180deg=-11.4!) USER MOD Single : A 34 MET CE :methyl 161:sc= -2.48 (180deg=-2.91!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HE2:sc= -1.46! C(o=-1.5!,f=-2.4!) USER MOD Single : A 38 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 39 ASN : amide:sc= -1.01 K(o=-1,f=-3.2!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 51 GLN : amide:sc= -0.455 X(o=-0.46,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-1.4) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : B 20 LYS NZ :NH3+ -130:sc=-0.00401 (180deg=-0.125) USER MOD Single : B 23 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.1!) USER MOD Single : B 24 GLN : amide:sc= 0.344 K(o=0.34,f=-0.69) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : B 33 MET CE :methyl -141:sc= -8.33! (180deg=-11.2!) USER MOD Single : B 34 MET CE :methyl 168:sc= -1.91 (180deg=-2.37!) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HE2:sc= -1.43! C(o=-1.4!,f=-2.4!) USER MOD Single : B 38 GLN : amide:sc=-0.00897 X(o=-0.009,f=0) USER MOD Single : B 39 ASN : amide:sc= -0.973 K(o=-0.97,f=-3.5!) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : B 51 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : B 53 HIS : no HD1:sc= -0.813 K(o=-0.81,f=-1.4) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N PRO A 19 -15.587 16.332 -15.162 1.00 0.00 N ATOM 163 CA PRO A 19 -14.912 17.630 -15.429 1.00 0.00 C ATOM 164 C PRO A 19 -13.569 17.434 -16.145 1.00 0.00 C ATOM 165 O PRO A 19 -12.888 18.386 -16.470 1.00 0.00 O ATOM 166 CB PRO A 19 -14.697 18.215 -14.038 1.00 0.00 C ATOM 167 CG PRO A 19 -14.664 17.033 -13.123 1.00 0.00 C ATOM 168 CD PRO A 19 -15.526 15.965 -13.740 1.00 0.00 C ATOM 0 HA PRO A 19 -15.500 18.275 -16.083 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.766 18.780 -13.987 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.501 18.900 -13.769 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.642 16.675 -12.994 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.035 17.302 -12.134 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.093 14.974 -13.602 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.519 15.945 -13.290 1.00 0.00 H new ATOM 176 N LYS A 20 -13.187 16.211 -16.399 1.00 0.00 N ATOM 177 CA LYS A 20 -11.889 15.937 -17.100 1.00 0.00 C ATOM 178 C LYS A 20 -10.694 16.368 -16.239 1.00 0.00 C ATOM 179 O LYS A 20 -9.915 15.549 -15.793 1.00 0.00 O ATOM 180 CB LYS A 20 -11.935 16.752 -18.399 1.00 0.00 C ATOM 181 CG LYS A 20 -10.930 16.176 -19.399 1.00 0.00 C ATOM 182 CD LYS A 20 -9.507 16.448 -18.909 1.00 0.00 C ATOM 183 CE LYS A 20 -8.626 16.855 -20.091 1.00 0.00 C ATOM 184 NZ LYS A 20 -8.988 18.273 -20.367 1.00 0.00 N ATOM 0 H LYS A 20 -13.721 15.379 -16.150 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.764 14.872 -17.294 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.940 16.727 -18.821 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -11.702 17.797 -18.194 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.088 15.103 -19.512 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.080 16.625 -20.381 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.515 17.239 -18.159 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.100 15.558 -18.429 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.568 16.757 -19.847 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.813 16.223 -20.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.173 18.392 -21.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.841 18.525 -19.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.203 18.893 -20.083 1.00 0.00 H new ATOM 198 N ALA A 21 -10.536 17.644 -16.005 1.00 0.00 N ATOM 199 CA ALA A 21 -9.385 18.118 -15.181 1.00 0.00 C ATOM 200 C ALA A 21 -9.320 17.345 -13.863 1.00 0.00 C ATOM 201 O ALA A 21 -8.368 16.642 -13.590 1.00 0.00 O ATOM 202 CB ALA A 21 -9.668 19.598 -14.921 1.00 0.00 C ATOM 0 H ALA A 21 -11.154 18.379 -16.349 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.429 17.966 -15.683 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.864 20.022 -14.319 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.728 20.129 -15.871 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.613 19.699 -14.388 1.00 0.00 H new ATOM 208 N LEU A 22 -10.327 17.469 -13.047 1.00 0.00 N ATOM 209 CA LEU A 22 -10.329 16.738 -11.748 1.00 0.00 C ATOM 210 C LEU A 22 -10.307 15.224 -12.011 1.00 0.00 C ATOM 211 O LEU A 22 -9.432 14.518 -11.554 1.00 0.00 O ATOM 212 CB LEU A 22 -11.629 17.195 -11.056 1.00 0.00 C ATOM 213 CG LEU A 22 -12.145 16.127 -10.082 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.044 15.767 -9.087 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.360 16.673 -9.329 1.00 0.00 C ATOM 0 H LEU A 22 -11.150 18.045 -13.222 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.460 16.946 -11.124 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.450 18.126 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.390 17.403 -11.808 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.432 15.235 -10.638 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.412 15.009 -8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.180 15.379 -9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.754 16.657 -8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.729 15.917 -8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.073 17.565 -8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.145 16.927 -10.041 1.00 0.00 H new ATOM 227 N GLN A 23 -11.266 14.727 -12.745 1.00 0.00 N ATOM 228 CA GLN A 23 -11.307 13.262 -13.040 1.00 0.00 C ATOM 229 C GLN A 23 -9.933 12.772 -13.513 1.00 0.00 C ATOM 230 O GLN A 23 -9.466 11.725 -13.112 1.00 0.00 O ATOM 231 CB GLN A 23 -12.341 13.113 -14.155 1.00 0.00 C ATOM 232 CG GLN A 23 -12.530 11.630 -14.483 1.00 0.00 C ATOM 233 CD GLN A 23 -12.645 11.452 -15.998 1.00 0.00 C ATOM 234 OE1 GLN A 23 -12.091 12.224 -16.756 1.00 0.00 O ATOM 235 NE2 GLN A 23 -13.345 10.460 -16.475 1.00 0.00 N ATOM 0 H GLN A 23 -12.025 15.272 -13.155 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.565 12.673 -12.160 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.290 13.552 -13.846 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.014 13.654 -15.043 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.688 11.052 -14.101 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.426 11.250 -13.993 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -13.810 9.812 -15.839 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -13.427 10.332 -17.484 1.00 0.00 H new ATOM 244 N GLN A 24 -9.282 13.524 -14.358 1.00 0.00 N ATOM 245 CA GLN A 24 -7.939 13.100 -14.846 1.00 0.00 C ATOM 246 C GLN A 24 -6.951 13.058 -13.678 1.00 0.00 C ATOM 247 O GLN A 24 -6.091 12.202 -13.609 1.00 0.00 O ATOM 248 CB GLN A 24 -7.528 14.169 -15.860 1.00 0.00 C ATOM 249 CG GLN A 24 -6.238 13.738 -16.561 1.00 0.00 C ATOM 250 CD GLN A 24 -5.037 14.388 -15.868 1.00 0.00 C ATOM 251 OE1 GLN A 24 -4.711 15.527 -16.136 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.362 13.707 -14.983 1.00 0.00 N ATOM 0 H GLN A 24 -9.621 14.411 -14.731 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.953 12.105 -15.291 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.322 14.315 -16.593 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.379 15.125 -15.357 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.143 12.652 -16.535 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.267 14.030 -17.611 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.636 12.751 -14.758 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.560 14.131 -14.516 1.00 0.00 H new ATOM 261 N LYS A 25 -7.072 13.974 -12.756 1.00 0.00 N ATOM 262 CA LYS A 25 -6.145 13.985 -11.589 1.00 0.00 C ATOM 263 C LYS A 25 -6.433 12.788 -10.681 1.00 0.00 C ATOM 264 O LYS A 25 -5.540 12.062 -10.290 1.00 0.00 O ATOM 265 CB LYS A 25 -6.440 15.296 -10.859 1.00 0.00 C ATOM 266 CG LYS A 25 -5.355 16.322 -11.194 1.00 0.00 C ATOM 267 CD LYS A 25 -5.916 17.357 -12.171 1.00 0.00 C ATOM 268 CE LYS A 25 -5.019 18.597 -12.173 1.00 0.00 C ATOM 269 NZ LYS A 25 -5.950 19.745 -11.998 1.00 0.00 N ATOM 0 H LYS A 25 -7.773 14.715 -12.761 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.099 13.915 -11.889 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.418 15.676 -11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.475 15.126 -9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.011 16.814 -10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.491 15.823 -11.633 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.971 16.933 -13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.931 17.630 -11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.287 18.556 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.461 18.679 -13.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.409 20.633 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.631 19.763 -12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.462 19.643 -11.098 1.00 0.00 H new ATOM 283 N ILE A 26 -7.677 12.572 -10.347 1.00 0.00 N ATOM 284 CA ILE A 26 -8.025 11.419 -9.467 1.00 0.00 C ATOM 285 C ILE A 26 -7.442 10.125 -10.041 1.00 0.00 C ATOM 286 O ILE A 26 -6.695 9.425 -9.387 1.00 0.00 O ATOM 287 CB ILE A 26 -9.553 11.364 -9.468 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.108 12.636 -8.823 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.022 10.144 -8.673 1.00 0.00 C ATOM 290 CD1 ILE A 26 -11.524 12.894 -9.341 1.00 0.00 C ATOM 0 H ILE A 26 -8.467 13.144 -10.645 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.623 11.532 -8.460 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.913 11.288 -10.494 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.120 12.531 -7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.464 13.485 -9.054 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.111 10.106 -8.674 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.626 9.237 -9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.663 10.219 -7.647 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.920 13.800 -8.882 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -11.499 13.017 -10.424 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.164 12.049 -9.087 1.00 0.00 H new ATOM 302 N HIS A 27 -7.776 9.803 -11.261 1.00 0.00 N ATOM 303 CA HIS A 27 -7.238 8.557 -11.877 1.00 0.00 C ATOM 304 C HIS A 27 -5.708 8.558 -11.817 1.00 0.00 C ATOM 305 O HIS A 27 -5.074 7.523 -11.876 1.00 0.00 O ATOM 306 CB HIS A 27 -7.720 8.592 -13.328 1.00 0.00 C ATOM 307 CG HIS A 27 -8.140 7.210 -13.750 1.00 0.00 C ATOM 308 ND1 HIS A 27 -9.306 6.619 -13.289 1.00 0.00 N ATOM 309 CD2 HIS A 27 -7.561 6.291 -14.590 1.00 0.00 C ATOM 310 CE1 HIS A 27 -9.390 5.399 -13.848 1.00 0.00 C ATOM 311 NE2 HIS A 27 -8.352 5.149 -14.651 1.00 0.00 N ATOM 0 H HIS A 27 -8.398 10.349 -11.857 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.575 7.659 -11.359 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.556 9.284 -13.428 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.925 8.956 -13.978 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.632 6.434 -15.122 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.198 4.705 -13.670 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.177 4.302 -15.192 1.00 0.00 H new ATOM 319 N GLU A 28 -5.112 9.713 -11.700 1.00 0.00 N ATOM 320 CA GLU A 28 -3.624 9.781 -11.636 1.00 0.00 C ATOM 321 C GLU A 28 -3.142 9.439 -10.224 1.00 0.00 C ATOM 322 O GLU A 28 -2.128 8.795 -10.043 1.00 0.00 O ATOM 323 CB GLU A 28 -3.279 11.230 -11.985 1.00 0.00 C ATOM 324 CG GLU A 28 -2.310 11.253 -13.168 1.00 0.00 C ATOM 325 CD GLU A 28 -2.998 10.667 -14.403 1.00 0.00 C ATOM 326 OE1 GLU A 28 -4.175 10.931 -14.582 1.00 0.00 O ATOM 327 OE2 GLU A 28 -2.335 9.965 -15.148 1.00 0.00 O ATOM 0 H GLU A 28 -5.591 10.612 -11.646 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.147 9.074 -12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.186 11.781 -12.233 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.830 11.726 -11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.988 12.275 -13.368 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.415 10.678 -12.930 1.00 0.00 H new ATOM 334 N LEU A 29 -3.862 9.864 -9.221 1.00 0.00 N ATOM 335 CA LEU A 29 -3.445 9.562 -7.822 1.00 0.00 C ATOM 336 C LEU A 29 -3.790 8.111 -7.473 1.00 0.00 C ATOM 337 O LEU A 29 -3.017 7.412 -6.849 1.00 0.00 O ATOM 338 CB LEU A 29 -4.246 10.530 -6.952 1.00 0.00 C ATOM 339 CG LEU A 29 -3.666 11.939 -7.091 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.723 12.968 -6.687 1.00 0.00 C ATOM 341 CD2 LEU A 29 -2.444 12.080 -6.181 1.00 0.00 C ATOM 0 H LEU A 29 -4.721 10.407 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.371 9.678 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.294 10.525 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.212 10.212 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.370 12.109 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.310 13.972 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.594 12.868 -7.335 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.019 12.798 -5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.031 13.084 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.740 11.910 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.690 11.347 -6.468 1.00 0.00 H new ATOM 353 N GLU A 30 -4.944 7.653 -7.876 1.00 0.00 N ATOM 354 CA GLU A 30 -5.335 6.247 -7.571 1.00 0.00 C ATOM 355 C GLU A 30 -4.364 5.278 -8.247 1.00 0.00 C ATOM 356 O GLU A 30 -3.909 4.323 -7.652 1.00 0.00 O ATOM 357 CB GLU A 30 -6.741 6.092 -8.152 1.00 0.00 C ATOM 358 CG GLU A 30 -7.490 4.994 -7.394 1.00 0.00 C ATOM 359 CD GLU A 30 -7.765 3.820 -8.335 1.00 0.00 C ATOM 360 OE1 GLU A 30 -8.014 4.068 -9.502 1.00 0.00 O ATOM 361 OE2 GLU A 30 -7.721 2.693 -7.871 1.00 0.00 O ATOM 0 H GLU A 30 -5.632 8.191 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.312 6.031 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.283 7.035 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.682 5.842 -9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.900 4.659 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.428 5.385 -6.999 1.00 0.00 H new ATOM 368 N GLY A 31 -4.040 5.521 -9.489 1.00 0.00 N ATOM 369 CA GLY A 31 -3.093 4.618 -10.201 1.00 0.00 C ATOM 370 C GLY A 31 -1.727 4.678 -9.519 1.00 0.00 C ATOM 371 O GLY A 31 -1.014 3.697 -9.445 1.00 0.00 O ATOM 0 H GLY A 31 -4.390 6.305 -10.040 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.472 3.596 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.004 4.916 -11.246 1.00 0.00 H new ATOM 375 N LEU A 32 -1.356 5.824 -9.015 1.00 0.00 N ATOM 376 CA LEU A 32 -0.037 5.947 -8.332 1.00 0.00 C ATOM 377 C LEU A 32 -0.027 5.097 -7.060 1.00 0.00 C ATOM 378 O LEU A 32 0.983 4.540 -6.680 1.00 0.00 O ATOM 379 CB LEU A 32 0.094 7.431 -7.988 1.00 0.00 C ATOM 380 CG LEU A 32 1.552 7.866 -8.147 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.913 7.908 -9.633 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.737 9.259 -7.540 1.00 0.00 C ATOM 0 H LEU A 32 -1.910 6.680 -9.047 1.00 0.00 H new ATOM 0 HA LEU A 32 0.788 5.601 -8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.547 8.024 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.240 7.609 -6.966 1.00 0.00 H new ATOM 0 HG LEU A 32 2.201 7.155 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.952 8.218 -9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.780 6.917 -10.068 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.264 8.619 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.776 9.570 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.088 9.969 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.479 9.232 -6.481 1.00 0.00 H new ATOM 394 N MET A 33 -1.148 4.993 -6.400 1.00 0.00 N ATOM 395 CA MET A 33 -1.209 4.177 -5.152 1.00 0.00 C ATOM 396 C MET A 33 -0.828 2.724 -5.452 1.00 0.00 C ATOM 397 O MET A 33 0.131 2.202 -4.920 1.00 0.00 O ATOM 398 CB MET A 33 -2.667 4.258 -4.696 1.00 0.00 C ATOM 399 CG MET A 33 -2.746 4.969 -3.342 1.00 0.00 C ATOM 400 SD MET A 33 -4.448 5.509 -3.042 1.00 0.00 S ATOM 401 CE MET A 33 -5.200 3.865 -2.918 1.00 0.00 C ATOM 0 H MET A 33 -2.025 5.438 -6.670 1.00 0.00 H new ATOM 0 HA MET A 33 -0.520 4.539 -4.389 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.260 4.796 -5.435 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.089 3.256 -4.617 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.421 4.298 -2.547 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.074 5.827 -3.330 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.116 3.838 -3.508 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.503 3.117 -3.295 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.434 3.650 -1.875 1.00 0.00 H new ATOM 411 N MET A 34 -1.578 2.068 -6.298 1.00 0.00 N ATOM 412 CA MET A 34 -1.273 0.644 -6.636 1.00 0.00 C ATOM 413 C MET A 34 0.215 0.468 -6.956 1.00 0.00 C ATOM 414 O MET A 34 0.839 -0.489 -6.541 1.00 0.00 O ATOM 415 CB MET A 34 -2.123 0.342 -7.870 1.00 0.00 C ATOM 416 CG MET A 34 -3.462 -0.255 -7.436 1.00 0.00 C ATOM 417 SD MET A 34 -4.395 -0.772 -8.898 1.00 0.00 S ATOM 418 CE MET A 34 -5.293 -2.138 -8.122 1.00 0.00 C ATOM 0 H MET A 34 -2.393 2.458 -6.772 1.00 0.00 H new ATOM 0 HA MET A 34 -1.495 -0.028 -5.807 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.289 1.255 -8.442 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.598 -0.354 -8.524 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.296 -1.108 -6.777 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.033 0.480 -6.868 1.00 0.00 H new ATOM 0 HE1 MET A 34 -6.165 -2.390 -8.726 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.639 -3.007 -8.047 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.617 -1.841 -7.125 1.00 0.00 H new ATOM 428 N GLN A 35 0.789 1.382 -7.689 1.00 0.00 N ATOM 429 CA GLN A 35 2.237 1.265 -8.034 1.00 0.00 C ATOM 430 C GLN A 35 3.065 1.016 -6.768 1.00 0.00 C ATOM 431 O GLN A 35 3.523 -0.082 -6.520 1.00 0.00 O ATOM 432 CB GLN A 35 2.600 2.614 -8.661 1.00 0.00 C ATOM 433 CG GLN A 35 4.105 2.672 -8.934 1.00 0.00 C ATOM 434 CD GLN A 35 4.354 2.626 -10.442 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.189 1.596 -11.065 1.00 0.00 O ATOM 436 NE2 GLN A 35 4.748 3.705 -11.059 1.00 0.00 N ATOM 0 H GLN A 35 0.319 2.206 -8.065 1.00 0.00 H new ATOM 0 HA GLN A 35 2.438 0.433 -8.709 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.047 2.754 -9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.311 3.425 -7.993 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.526 3.585 -8.513 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.606 1.836 -8.447 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.887 4.570 -10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.918 3.684 -12.065 1.00 0.00 H new ATOM 445 N HIS A 36 3.259 2.027 -5.970 1.00 0.00 N ATOM 446 CA HIS A 36 4.056 1.857 -4.721 1.00 0.00 C ATOM 447 C HIS A 36 3.535 0.667 -3.906 1.00 0.00 C ATOM 448 O HIS A 36 4.286 -0.210 -3.528 1.00 0.00 O ATOM 449 CB HIS A 36 3.858 3.162 -3.954 1.00 0.00 C ATOM 450 CG HIS A 36 4.566 4.278 -4.671 1.00 0.00 C ATOM 451 ND1 HIS A 36 3.919 5.099 -5.582 1.00 0.00 N ATOM 452 CD2 HIS A 36 5.864 4.722 -4.623 1.00 0.00 C ATOM 453 CE1 HIS A 36 4.821 5.986 -6.041 1.00 0.00 C ATOM 454 NE2 HIS A 36 6.024 5.800 -5.489 1.00 0.00 N ATOM 0 H HIS A 36 2.899 2.968 -6.128 1.00 0.00 H new ATOM 0 HA HIS A 36 5.107 1.655 -4.927 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.795 3.388 -3.868 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.246 3.063 -2.940 1.00 0.00 H new ATOM 0 HD1 HIS A 36 2.938 5.041 -5.855 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.643 4.299 -4.007 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.600 6.754 -6.767 1.00 0.00 H new ATOM 462 N ALA A 37 2.255 0.628 -3.637 1.00 0.00 N ATOM 463 CA ALA A 37 1.685 -0.508 -2.848 1.00 0.00 C ATOM 464 C ALA A 37 2.180 -1.844 -3.414 1.00 0.00 C ATOM 465 O ALA A 37 2.377 -2.801 -2.693 1.00 0.00 O ATOM 466 CB ALA A 37 0.168 -0.384 -3.013 1.00 0.00 C ATOM 0 H ALA A 37 1.579 1.334 -3.929 1.00 0.00 H new ATOM 0 HA ALA A 37 1.984 -0.476 -1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.325 -1.185 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.163 0.580 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.090 -0.459 -4.069 1.00 0.00 H new ATOM 472 N GLN A 38 2.395 -1.907 -4.700 1.00 0.00 N ATOM 473 CA GLN A 38 2.893 -3.172 -5.311 1.00 0.00 C ATOM 474 C GLN A 38 4.379 -3.344 -4.988 1.00 0.00 C ATOM 475 O GLN A 38 4.855 -4.438 -4.759 1.00 0.00 O ATOM 476 CB GLN A 38 2.684 -2.999 -6.816 1.00 0.00 C ATOM 477 CG GLN A 38 1.537 -3.900 -7.279 1.00 0.00 C ATOM 478 CD GLN A 38 0.969 -3.367 -8.595 1.00 0.00 C ATOM 479 OE1 GLN A 38 1.455 -3.698 -9.659 1.00 0.00 O ATOM 480 NE2 GLN A 38 -0.048 -2.550 -8.570 1.00 0.00 N ATOM 0 H GLN A 38 2.247 -1.138 -5.353 1.00 0.00 H new ATOM 0 HA GLN A 38 2.374 -4.053 -4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.458 -1.958 -7.045 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.599 -3.252 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.894 -4.921 -7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.756 -3.931 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.457 -2.272 -7.678 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.434 -2.190 -9.443 1.00 0.00 H new ATOM 489 N ASN A 39 5.111 -2.262 -4.958 1.00 0.00 N ATOM 490 CA ASN A 39 6.564 -2.350 -4.638 1.00 0.00 C ATOM 491 C ASN A 39 6.780 -2.099 -3.144 1.00 0.00 C ATOM 492 O ASN A 39 7.844 -1.697 -2.717 1.00 0.00 O ATOM 493 CB ASN A 39 7.221 -1.248 -5.470 1.00 0.00 C ATOM 494 CG ASN A 39 6.928 -1.483 -6.953 1.00 0.00 C ATOM 495 OD1 ASN A 39 5.783 -1.558 -7.354 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.921 -1.601 -7.792 1.00 0.00 N ATOM 0 H ASN A 39 4.764 -1.321 -5.142 1.00 0.00 H new ATOM 0 HA ASN A 39 6.984 -3.330 -4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.843 -0.273 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.297 -1.241 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.736 -1.756 -8.783 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.882 -1.538 -7.457 1.00 0.00 H new ATOM 503 N LEU A 40 5.772 -2.334 -2.348 1.00 0.00 N ATOM 504 CA LEU A 40 5.899 -2.115 -0.878 1.00 0.00 C ATOM 505 C LEU A 40 6.342 -0.679 -0.582 1.00 0.00 C ATOM 506 O LEU A 40 7.004 -0.414 0.402 1.00 0.00 O ATOM 507 CB LEU A 40 6.961 -3.114 -0.412 1.00 0.00 C ATOM 508 CG LEU A 40 6.519 -4.533 -0.774 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.980 -4.866 -2.195 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.143 -5.526 0.209 1.00 0.00 C ATOM 0 H LEU A 40 4.859 -2.671 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 40 4.950 -2.261 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.919 -2.889 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.107 -3.030 0.665 1.00 0.00 H new ATOM 0 HG LEU A 40 5.432 -4.600 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.665 -5.877 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.537 -4.159 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.067 -4.800 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.829 -6.538 -0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.230 -5.458 0.154 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.815 -5.290 1.222 1.00 0.00 H new ATOM 522 N GLU A 41 5.972 0.252 -1.418 1.00 0.00 N ATOM 523 CA GLU A 41 6.363 1.670 -1.173 1.00 0.00 C ATOM 524 C GLU A 41 5.134 2.491 -0.766 1.00 0.00 C ATOM 525 O GLU A 41 5.138 3.704 -0.829 1.00 0.00 O ATOM 526 CB GLU A 41 6.921 2.165 -2.509 1.00 0.00 C ATOM 527 CG GLU A 41 8.229 1.436 -2.818 1.00 0.00 C ATOM 528 CD GLU A 41 9.411 2.280 -2.339 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.296 3.495 -2.368 1.00 0.00 O ATOM 530 OE2 GLU A 41 10.411 1.699 -1.951 1.00 0.00 O ATOM 0 H GLU A 41 5.417 0.093 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 41 7.092 1.766 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.197 1.989 -3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.093 3.241 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.240 0.463 -2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.311 1.252 -3.889 1.00 0.00 H new ATOM 537 N PHE A 42 4.080 1.833 -0.354 1.00 0.00 N ATOM 538 CA PHE A 42 2.838 2.553 0.051 1.00 0.00 C ATOM 539 C PHE A 42 3.075 3.480 1.247 1.00 0.00 C ATOM 540 O PHE A 42 2.204 4.244 1.608 1.00 0.00 O ATOM 541 CB PHE A 42 1.831 1.458 0.417 1.00 0.00 C ATOM 542 CG PHE A 42 2.431 0.495 1.417 1.00 0.00 C ATOM 543 CD1 PHE A 42 2.741 0.928 2.728 1.00 0.00 C ATOM 544 CD2 PHE A 42 2.667 -0.850 1.047 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.287 0.020 3.661 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.208 -1.755 1.982 1.00 0.00 C ATOM 547 CZ PHE A 42 3.520 -1.321 3.288 1.00 0.00 C ATOM 0 H PHE A 42 4.028 0.817 -0.281 1.00 0.00 H new ATOM 0 HA PHE A 42 2.482 3.192 -0.757 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.931 1.909 0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.531 0.918 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.560 1.953 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.432 -1.184 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.526 0.352 4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.384 -2.782 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.937 -2.015 4.002 1.00 0.00 H new ATOM 557 N GLU A 43 4.228 3.444 1.869 1.00 0.00 N ATOM 558 CA GLU A 43 4.467 4.357 3.028 1.00 0.00 C ATOM 559 C GLU A 43 4.096 5.788 2.627 1.00 0.00 C ATOM 560 O GLU A 43 3.126 6.348 3.099 1.00 0.00 O ATOM 561 CB GLU A 43 5.964 4.247 3.322 1.00 0.00 C ATOM 562 CG GLU A 43 6.338 5.213 4.447 1.00 0.00 C ATOM 563 CD GLU A 43 7.827 5.552 4.355 1.00 0.00 C ATOM 564 OE1 GLU A 43 8.181 6.353 3.507 1.00 0.00 O ATOM 565 OE2 GLU A 43 8.588 5.004 5.136 1.00 0.00 O ATOM 0 H GLU A 43 5.005 2.829 1.628 1.00 0.00 H new ATOM 0 HA GLU A 43 3.870 4.097 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.215 3.225 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.539 4.477 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.742 6.123 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.116 4.764 5.415 1.00 0.00 H new ATOM 572 N GLU A 44 4.847 6.363 1.735 1.00 0.00 N ATOM 573 CA GLU A 44 4.529 7.740 1.265 1.00 0.00 C ATOM 574 C GLU A 44 3.432 7.681 0.192 1.00 0.00 C ATOM 575 O GLU A 44 2.773 8.662 -0.093 1.00 0.00 O ATOM 576 CB GLU A 44 5.835 8.275 0.674 1.00 0.00 C ATOM 577 CG GLU A 44 6.305 7.353 -0.453 1.00 0.00 C ATOM 578 CD GLU A 44 7.036 8.177 -1.515 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.372 8.913 -2.226 1.00 0.00 O ATOM 580 OE2 GLU A 44 8.247 8.058 -1.598 1.00 0.00 O ATOM 0 H GLU A 44 5.671 5.939 1.308 1.00 0.00 H new ATOM 0 HA GLU A 44 4.161 8.380 2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.686 9.285 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.599 8.336 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.967 6.583 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.452 6.841 -0.898 1.00 0.00 H new ATOM 587 N ALA A 45 3.244 6.534 -0.411 1.00 0.00 N ATOM 588 CA ALA A 45 2.207 6.397 -1.478 1.00 0.00 C ATOM 589 C ALA A 45 0.804 6.309 -0.878 1.00 0.00 C ATOM 590 O ALA A 45 -0.100 7.010 -1.289 1.00 0.00 O ATOM 591 CB ALA A 45 2.560 5.090 -2.191 1.00 0.00 C ATOM 0 H ALA A 45 3.767 5.682 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 45 2.200 7.256 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.846 4.909 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.564 5.163 -2.608 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.522 4.265 -1.479 1.00 0.00 H new ATOM 597 N ALA A 46 0.606 5.448 0.080 1.00 0.00 N ATOM 598 CA ALA A 46 -0.746 5.310 0.690 1.00 0.00 C ATOM 599 C ALA A 46 -1.292 6.681 1.092 1.00 0.00 C ATOM 600 O ALA A 46 -2.486 6.887 1.150 1.00 0.00 O ATOM 601 CB ALA A 46 -0.549 4.422 1.917 1.00 0.00 C ATOM 0 H ALA A 46 1.322 4.833 0.467 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.466 4.878 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.506 4.276 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.151 3.456 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.151 4.899 2.603 1.00 0.00 H new ATOM 607 N GLN A 47 -0.432 7.629 1.354 1.00 0.00 N ATOM 608 CA GLN A 47 -0.919 8.987 1.736 1.00 0.00 C ATOM 609 C GLN A 47 -1.949 9.473 0.715 1.00 0.00 C ATOM 610 O GLN A 47 -2.807 10.280 1.014 1.00 0.00 O ATOM 611 CB GLN A 47 0.322 9.879 1.710 1.00 0.00 C ATOM 612 CG GLN A 47 0.966 9.901 3.097 1.00 0.00 C ATOM 613 CD GLN A 47 1.637 11.256 3.328 1.00 0.00 C ATOM 614 OE1 GLN A 47 0.979 12.278 3.343 1.00 0.00 O ATOM 615 NE2 GLN A 47 2.927 11.310 3.512 1.00 0.00 N ATOM 0 H GLN A 47 0.582 7.523 1.320 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.402 8.996 2.713 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.034 9.508 0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.049 10.890 1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.211 9.722 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.701 9.101 3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.480 10.453 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.383 12.209 3.668 1.00 0.00 H new ATOM 624 N ILE A 48 -1.871 8.977 -0.490 1.00 0.00 N ATOM 625 CA ILE A 48 -2.846 9.393 -1.534 1.00 0.00 C ATOM 626 C ILE A 48 -4.249 8.928 -1.145 1.00 0.00 C ATOM 627 O ILE A 48 -5.236 9.541 -1.499 1.00 0.00 O ATOM 628 CB ILE A 48 -2.380 8.696 -2.812 1.00 0.00 C ATOM 629 CG1 ILE A 48 -1.011 9.245 -3.221 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.386 8.957 -3.935 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.277 8.206 -4.071 1.00 0.00 C ATOM 0 H ILE A 48 -1.172 8.300 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.890 10.475 -1.659 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.306 7.623 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.132 10.171 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.424 9.485 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.052 8.459 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.363 8.568 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.461 10.030 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.698 8.597 -4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.143 7.292 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.862 7.988 -4.964 1.00 0.00 H new ATOM 643 N ARG A 49 -4.346 7.845 -0.415 1.00 0.00 N ATOM 644 CA ARG A 49 -5.693 7.342 0.000 1.00 0.00 C ATOM 645 C ARG A 49 -6.531 8.487 0.585 1.00 0.00 C ATOM 646 O ARG A 49 -7.743 8.480 0.518 1.00 0.00 O ATOM 647 CB ARG A 49 -5.418 6.267 1.061 1.00 0.00 C ATOM 648 CG ARG A 49 -4.861 6.910 2.335 1.00 0.00 C ATOM 649 CD ARG A 49 -6.008 7.207 3.304 1.00 0.00 C ATOM 650 NE ARG A 49 -5.543 8.377 4.100 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.228 8.775 5.137 1.00 0.00 C ATOM 652 NH1 ARG A 49 -7.476 9.130 5.000 1.00 0.00 N ATOM 653 NH2 ARG A 49 -5.665 8.815 6.314 1.00 0.00 N ATOM 0 H ARG A 49 -3.555 7.289 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.257 6.938 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.337 5.728 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.708 5.537 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.138 6.243 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.332 7.831 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.929 7.435 2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.216 6.350 3.945 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.689 8.867 3.834 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.918 9.097 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.010 9.441 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.690 8.535 6.423 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.200 9.126 7.125 1.00 0.00 H new ATOM 667 N ASP A 50 -5.887 9.471 1.151 1.00 0.00 N ATOM 668 CA ASP A 50 -6.638 10.619 1.730 1.00 0.00 C ATOM 669 C ASP A 50 -7.086 11.559 0.611 1.00 0.00 C ATOM 670 O ASP A 50 -8.217 12.002 0.573 1.00 0.00 O ATOM 671 CB ASP A 50 -5.644 11.319 2.658 1.00 0.00 C ATOM 672 CG ASP A 50 -6.334 11.663 3.979 1.00 0.00 C ATOM 673 OD1 ASP A 50 -7.529 11.906 3.955 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.654 11.679 4.993 1.00 0.00 O ATOM 0 H ASP A 50 -4.872 9.529 1.237 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.534 10.305 2.265 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.785 10.674 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.266 12.226 2.186 1.00 0.00 H new ATOM 679 N GLN A 51 -6.208 11.861 -0.307 1.00 0.00 N ATOM 680 CA GLN A 51 -6.587 12.766 -1.429 1.00 0.00 C ATOM 681 C GLN A 51 -7.602 12.069 -2.339 1.00 0.00 C ATOM 682 O GLN A 51 -8.515 12.682 -2.852 1.00 0.00 O ATOM 683 CB GLN A 51 -5.283 13.032 -2.182 1.00 0.00 C ATOM 684 CG GLN A 51 -4.259 13.654 -1.230 1.00 0.00 C ATOM 685 CD GLN A 51 -2.849 13.425 -1.777 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.915 13.237 -1.022 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.654 13.432 -3.067 1.00 0.00 N ATOM 0 H GLN A 51 -5.247 11.521 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.049 13.690 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.893 12.101 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.467 13.701 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.449 14.722 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.352 13.211 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.438 13.590 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.718 13.280 -3.442 1.00 0.00 H new ATOM 696 N LEU A 52 -7.447 10.788 -2.539 1.00 0.00 N ATOM 697 CA LEU A 52 -8.403 10.047 -3.411 1.00 0.00 C ATOM 698 C LEU A 52 -9.811 10.102 -2.814 1.00 0.00 C ATOM 699 O LEU A 52 -10.786 10.290 -3.515 1.00 0.00 O ATOM 700 CB LEU A 52 -7.885 8.606 -3.433 1.00 0.00 C ATOM 701 CG LEU A 52 -7.440 8.240 -4.850 1.00 0.00 C ATOM 702 CD1 LEU A 52 -8.635 8.329 -5.801 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.350 9.210 -5.311 1.00 0.00 C ATOM 0 H LEU A 52 -6.700 10.223 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.465 10.473 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.050 8.499 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.666 7.923 -3.099 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.047 7.223 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.317 8.068 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.412 7.637 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.029 9.345 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.034 8.948 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.742 10.227 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.497 9.146 -4.635 1.00 0.00 H new ATOM 715 N HIS A 53 -9.924 9.941 -1.524 1.00 0.00 N ATOM 716 CA HIS A 53 -11.270 9.985 -0.882 1.00 0.00 C ATOM 717 C HIS A 53 -11.826 11.410 -0.918 1.00 0.00 C ATOM 718 O HIS A 53 -12.960 11.635 -1.294 1.00 0.00 O ATOM 719 CB HIS A 53 -11.035 9.538 0.561 1.00 0.00 C ATOM 720 CG HIS A 53 -10.596 8.099 0.575 1.00 0.00 C ATOM 721 ND1 HIS A 53 -10.057 7.502 1.704 1.00 0.00 N ATOM 722 CD2 HIS A 53 -10.608 7.126 -0.393 1.00 0.00 C ATOM 723 CE1 HIS A 53 -9.770 6.226 1.390 1.00 0.00 C ATOM 724 NE2 HIS A 53 -10.087 5.944 0.124 1.00 0.00 N ATOM 0 H HIS A 53 -9.144 9.781 -0.887 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.993 9.349 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.276 10.165 1.028 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.949 9.656 1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.967 7.258 -1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.336 5.516 2.078 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.972 5.054 -0.360 1.00 0.00 H new ATOM 732 N GLN A 54 -11.039 12.375 -0.529 1.00 0.00 N ATOM 733 CA GLN A 54 -11.523 13.785 -0.543 1.00 0.00 C ATOM 734 C GLN A 54 -11.876 14.209 -1.971 1.00 0.00 C ATOM 735 O GLN A 54 -12.901 14.816 -2.213 1.00 0.00 O ATOM 736 CB GLN A 54 -10.352 14.612 -0.012 1.00 0.00 C ATOM 737 CG GLN A 54 -10.840 15.520 1.119 1.00 0.00 C ATOM 738 CD GLN A 54 -9.654 16.289 1.704 1.00 0.00 C ATOM 739 OE1 GLN A 54 -8.716 15.697 2.203 1.00 0.00 O ATOM 740 NE2 GLN A 54 -9.654 17.593 1.665 1.00 0.00 N ATOM 0 H GLN A 54 -10.081 12.248 -0.202 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.422 13.919 0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.563 13.953 0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.923 15.212 -0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.589 16.217 0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.320 14.925 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.440 18.091 1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.868 18.115 2.053 1.00 0.00 H new ATOM 749 N LEU A 55 -11.037 13.892 -2.918 1.00 0.00 N ATOM 750 CA LEU A 55 -11.326 14.276 -4.329 1.00 0.00 C ATOM 751 C LEU A 55 -12.605 13.587 -4.813 1.00 0.00 C ATOM 752 O LEU A 55 -13.308 14.091 -5.666 1.00 0.00 O ATOM 753 CB LEU A 55 -10.118 13.786 -5.129 1.00 0.00 C ATOM 754 CG LEU A 55 -9.036 14.867 -5.134 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.673 14.228 -4.866 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.014 15.558 -6.500 1.00 0.00 C ATOM 0 H LEU A 55 -10.164 13.384 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.481 15.349 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.727 12.867 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.416 13.551 -6.151 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.252 15.600 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.903 14.999 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.687 13.734 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.456 13.495 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.243 16.329 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.798 14.824 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.985 16.014 -6.693 1.00 0.00 H new ATOM 768 N ARG A 56 -12.912 12.439 -4.273 1.00 0.00 N ATOM 769 CA ARG A 56 -14.148 11.721 -4.702 1.00 0.00 C ATOM 770 C ARG A 56 -15.373 12.619 -4.511 1.00 0.00 C ATOM 771 O ARG A 56 -16.073 12.937 -5.453 1.00 0.00 O ATOM 772 CB ARG A 56 -14.231 10.498 -3.787 1.00 0.00 C ATOM 773 CG ARG A 56 -15.426 9.634 -4.199 1.00 0.00 C ATOM 774 CD ARG A 56 -15.942 8.863 -2.981 1.00 0.00 C ATOM 775 NE ARG A 56 -17.322 8.443 -3.350 1.00 0.00 N ATOM 776 CZ ARG A 56 -18.345 9.157 -2.968 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.960 8.872 -1.852 1.00 0.00 N ATOM 778 NH2 ARG A 56 -18.754 10.155 -3.701 1.00 0.00 N ATOM 0 H ARG A 56 -12.362 11.967 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.121 11.441 -5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.310 9.919 -3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.337 10.813 -2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.218 10.261 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.132 8.939 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.312 8.001 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.945 9.489 -2.089 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.468 7.597 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.641 8.091 -1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.760 9.430 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -18.274 10.377 -4.573 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.554 10.713 -3.402 1.00 0.00 H new ATOM 792 N GLU A 57 -15.637 13.031 -3.302 1.00 0.00 N ATOM 793 CA GLU A 57 -16.817 13.909 -3.054 1.00 0.00 C ATOM 794 C GLU A 57 -16.690 15.202 -3.863 1.00 0.00 C ATOM 795 O GLU A 57 -17.668 15.864 -4.150 1.00 0.00 O ATOM 796 CB GLU A 57 -16.779 14.208 -1.555 1.00 0.00 C ATOM 797 CG GLU A 57 -15.428 14.824 -1.191 1.00 0.00 C ATOM 798 CD GLU A 57 -15.554 15.590 0.127 1.00 0.00 C ATOM 799 OE1 GLU A 57 -16.431 16.435 0.217 1.00 0.00 O ATOM 800 OE2 GLU A 57 -14.773 15.320 1.025 1.00 0.00 O ATOM 0 H GLU A 57 -15.087 12.798 -2.475 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.754 13.438 -3.352 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.585 14.891 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.938 13.292 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.673 14.043 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.097 15.495 -1.984 1.00 0.00 H new ATOM 807 N LEU A 58 -15.493 15.566 -4.233 1.00 0.00 N ATOM 808 CA LEU A 58 -15.305 16.816 -5.025 1.00 0.00 C ATOM 809 C LEU A 58 -15.808 16.618 -6.458 1.00 0.00 C ATOM 810 O LEU A 58 -16.087 17.567 -7.164 1.00 0.00 O ATOM 811 CB LEU A 58 -13.795 17.066 -5.016 1.00 0.00 C ATOM 812 CG LEU A 58 -13.478 18.239 -4.087 1.00 0.00 C ATOM 813 CD1 LEU A 58 -11.965 18.330 -3.878 1.00 0.00 C ATOM 814 CD2 LEU A 58 -13.983 19.539 -4.718 1.00 0.00 C ATOM 0 H LEU A 58 -14.637 15.053 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.861 17.656 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.269 16.171 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.445 17.283 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.969 18.085 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.739 19.166 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.603 17.404 -3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.474 18.485 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.758 20.376 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.491 19.693 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.061 19.476 -4.869 1.00 0.00 H new ATOM 826 N PHE A 59 -15.926 15.392 -6.894 1.00 0.00 N ATOM 827 CA PHE A 59 -16.410 15.137 -8.281 1.00 0.00 C ATOM 828 C PHE A 59 -17.727 15.879 -8.529 1.00 0.00 C ATOM 829 O PHE A 59 -17.911 16.513 -9.549 1.00 0.00 O ATOM 830 CB PHE A 59 -16.625 13.625 -8.353 1.00 0.00 C ATOM 831 CG PHE A 59 -16.895 13.222 -9.784 1.00 0.00 C ATOM 832 CD1 PHE A 59 -18.214 13.256 -10.289 1.00 0.00 C ATOM 833 CD2 PHE A 59 -15.829 12.812 -10.616 1.00 0.00 C ATOM 834 CE1 PHE A 59 -18.467 12.881 -11.628 1.00 0.00 C ATOM 835 CE2 PHE A 59 -16.083 12.436 -11.954 1.00 0.00 C ATOM 836 CZ PHE A 59 -17.401 12.470 -12.460 1.00 0.00 C ATOM 0 H PHE A 59 -15.708 14.557 -6.350 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.704 15.486 -9.035 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.745 13.103 -7.977 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.462 13.335 -7.718 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -19.028 13.568 -9.652 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.821 12.786 -10.229 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -19.475 12.909 -12.015 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.269 12.122 -12.590 1.00 0.00 H new ATOM 0 HZ PHE A 59 -17.594 12.182 -13.483 1.00 0.00 H new ATOM 846 N ILE A 60 -18.644 15.805 -7.605 1.00 0.00 N ATOM 847 CA ILE A 60 -19.946 16.506 -7.788 1.00 0.00 C ATOM 848 C ILE A 60 -19.762 18.016 -7.613 1.00 0.00 C ATOM 849 O ILE A 60 -20.387 18.810 -8.287 1.00 0.00 O ATOM 850 CB ILE A 60 -20.855 15.947 -6.694 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.995 14.433 -6.875 1.00 0.00 C ATOM 852 CG2 ILE A 60 -22.235 16.600 -6.793 1.00 0.00 C ATOM 853 CD1 ILE A 60 -21.471 13.804 -5.565 1.00 0.00 C ATOM 0 H ILE A 60 -18.548 15.289 -6.730 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.363 16.349 -8.783 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.422 16.160 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.704 14.216 -7.674 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.039 14.002 -7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.883 16.201 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.137 17.678 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.669 16.386 -7.770 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.571 12.726 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -20.746 14.010 -4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -22.437 14.227 -5.288 1.00 0.00 H new ATOM 865 N ALA A 61 -18.907 18.418 -6.714 1.00 0.00 N ATOM 866 CA ALA A 61 -18.683 19.876 -6.497 1.00 0.00 C ATOM 867 C ALA A 61 -17.887 20.470 -7.663 1.00 0.00 C ATOM 868 O ALA A 61 -17.900 21.663 -7.890 1.00 0.00 O ATOM 869 CB ALA A 61 -17.877 19.964 -5.199 1.00 0.00 C ATOM 0 H ALA A 61 -18.353 17.801 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 61 -19.619 20.432 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.671 21.009 -4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -18.449 19.519 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -16.936 19.426 -5.318 1.00 0.00 H new ATOM 875 N ALA A 62 -17.196 19.647 -8.404 1.00 0.00 N ATOM 876 CA ALA A 62 -16.402 20.168 -9.554 1.00 0.00 C ATOM 877 C ALA A 62 -17.267 20.212 -10.817 1.00 0.00 C ATOM 878 O ALA A 62 -17.509 21.262 -11.378 1.00 0.00 O ATOM 879 CB ALA A 62 -15.254 19.172 -9.725 1.00 0.00 C ATOM 0 H ALA A 62 -17.147 18.638 -8.263 1.00 0.00 H new ATOM 0 HA ALA A 62 -16.040 21.182 -9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.621 19.486 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.662 19.138 -8.810 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.659 18.182 -9.932 1.00 0.00 H new ATOM 1059 N PRO B 19 15.352 -19.563 11.052 1.00 0.00 N ATOM 1060 CA PRO B 19 14.686 -20.175 12.232 1.00 0.00 C ATOM 1061 C PRO B 19 13.322 -20.773 11.865 1.00 0.00 C ATOM 1062 O PRO B 19 12.643 -21.341 12.697 1.00 0.00 O ATOM 1063 CB PRO B 19 14.515 -19.002 13.193 1.00 0.00 C ATOM 1064 CG PRO B 19 14.493 -17.787 12.322 1.00 0.00 C ATOM 1065 CD PRO B 19 15.325 -18.095 11.107 1.00 0.00 C ATOM 0 HA PRO B 19 15.263 -20.999 12.652 1.00 0.00 H new ATOM 0 HB2 PRO B 19 13.593 -19.093 13.766 1.00 0.00 H new ATOM 0 HB3 PRO B 19 15.334 -18.958 13.911 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.471 -17.538 12.035 1.00 0.00 H new ATOM 0 HG3 PRO B 19 14.894 -16.925 12.854 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.885 -17.671 10.205 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.329 -17.681 11.197 1.00 0.00 H new ATOM 1073 N LYS B 20 12.920 -20.659 10.628 1.00 0.00 N ATOM 1074 CA LYS B 20 11.599 -21.224 10.189 1.00 0.00 C ATOM 1075 C LYS B 20 10.434 -20.493 10.870 1.00 0.00 C ATOM 1076 O LYS B 20 9.658 -19.815 10.226 1.00 0.00 O ATOM 1077 CB LYS B 20 11.620 -22.701 10.599 1.00 0.00 C ATOM 1078 CG LYS B 20 10.582 -23.473 9.780 1.00 0.00 C ATOM 1079 CD LYS B 20 9.175 -23.047 10.207 1.00 0.00 C ATOM 1080 CE LYS B 20 8.267 -24.276 10.278 1.00 0.00 C ATOM 1081 NZ LYS B 20 8.637 -24.953 11.551 1.00 0.00 N ATOM 0 H LYS B 20 13.452 -20.195 9.891 1.00 0.00 H new ATOM 0 HA LYS B 20 11.456 -21.105 9.115 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.613 -23.121 10.436 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.404 -22.797 11.663 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.725 -23.280 8.717 1.00 0.00 H new ATOM 0 HG3 LYS B 20 10.710 -24.545 9.929 1.00 0.00 H new ATOM 0 HD2 LYS B 20 9.212 -22.553 11.178 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.772 -22.325 9.497 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.215 -23.991 10.274 1.00 0.00 H new ATOM 0 HE3 LYS B 20 8.423 -24.932 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 8.812 -25.962 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.498 -24.517 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 7.860 -24.854 12.235 1.00 0.00 H new ATOM 1095 N ALA B 21 10.297 -20.631 12.162 1.00 0.00 N ATOM 1096 CA ALA B 21 9.173 -19.951 12.873 1.00 0.00 C ATOM 1097 C ALA B 21 9.135 -18.465 12.509 1.00 0.00 C ATOM 1098 O ALA B 21 8.183 -17.980 11.929 1.00 0.00 O ATOM 1099 CB ALA B 21 9.479 -20.131 14.360 1.00 0.00 C ATOM 0 H ALA B 21 10.914 -21.185 12.756 1.00 0.00 H new ATOM 0 HA ALA B 21 8.203 -20.367 12.602 1.00 0.00 H new ATOM 0 HB1 ALA B 21 8.696 -19.657 14.952 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.520 -21.194 14.597 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.439 -19.670 14.592 1.00 0.00 H new ATOM 1105 N LEU B 22 10.165 -17.742 12.841 1.00 0.00 N ATOM 1106 CA LEU B 22 10.194 -16.289 12.511 1.00 0.00 C ATOM 1107 C LEU B 22 10.148 -16.108 10.986 1.00 0.00 C ATOM 1108 O LEU B 22 9.276 -15.448 10.456 1.00 0.00 O ATOM 1109 CB LEU B 22 11.518 -15.785 13.122 1.00 0.00 C ATOM 1110 CG LEU B 22 12.048 -14.560 12.367 1.00 0.00 C ATOM 1111 CD1 LEU B 22 10.969 -13.478 12.325 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.288 -14.021 13.082 1.00 0.00 C ATOM 0 H LEU B 22 10.990 -18.093 13.327 1.00 0.00 H new ATOM 0 HA LEU B 22 9.344 -15.732 12.905 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.364 -15.530 14.170 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.261 -16.582 13.094 1.00 0.00 H new ATOM 0 HG LEU B 22 12.311 -14.846 11.348 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.347 -12.608 11.788 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.086 -13.864 11.815 1.00 0.00 H new ATOM 0 HD13 LEU B 22 10.703 -13.190 13.342 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.667 -13.150 12.547 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.025 -13.735 14.101 1.00 0.00 H new ATOM 0 HD23 LEU B 22 14.057 -14.793 13.109 1.00 0.00 H new ATOM 1124 N GLN B 23 11.081 -16.690 10.283 1.00 0.00 N ATOM 1125 CA GLN B 23 11.096 -16.556 8.794 1.00 0.00 C ATOM 1126 C GLN B 23 9.706 -16.838 8.215 1.00 0.00 C ATOM 1127 O GLN B 23 9.237 -16.144 7.335 1.00 0.00 O ATOM 1128 CB GLN B 23 12.099 -17.606 8.313 1.00 0.00 C ATOM 1129 CG GLN B 23 12.262 -17.500 6.795 1.00 0.00 C ATOM 1130 CD GLN B 23 12.334 -18.904 6.191 1.00 0.00 C ATOM 1131 OE1 GLN B 23 11.769 -19.838 6.725 1.00 0.00 O ATOM 1132 NE2 GLN B 23 13.010 -19.093 5.091 1.00 0.00 N ATOM 0 H GLN B 23 11.836 -17.254 10.674 1.00 0.00 H new ATOM 0 HA GLN B 23 11.370 -15.550 8.476 1.00 0.00 H new ATOM 0 HB2 GLN B 23 13.061 -17.457 8.804 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.754 -18.604 8.583 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.424 -16.950 6.366 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.167 -16.942 6.554 1.00 0.00 H new ATOM 0 HE21 GLN B 23 13.484 -18.309 4.643 1.00 0.00 H new ATOM 0 HE22 GLN B 23 13.064 -20.025 4.679 1.00 0.00 H new ATOM 1141 N GLN B 24 9.041 -17.847 8.707 1.00 0.00 N ATOM 1142 CA GLN B 24 7.680 -18.164 8.186 1.00 0.00 C ATOM 1143 C GLN B 24 6.724 -17.009 8.496 1.00 0.00 C ATOM 1144 O GLN B 24 5.857 -16.680 7.712 1.00 0.00 O ATOM 1145 CB GLN B 24 7.253 -19.429 8.930 1.00 0.00 C ATOM 1146 CG GLN B 24 5.940 -19.949 8.341 1.00 0.00 C ATOM 1147 CD GLN B 24 4.766 -19.445 9.183 1.00 0.00 C ATOM 1148 OE1 GLN B 24 4.446 -20.019 10.204 1.00 0.00 O ATOM 1149 NE2 GLN B 24 4.107 -18.387 8.796 1.00 0.00 N ATOM 0 H GLN B 24 9.379 -18.464 9.445 1.00 0.00 H new ATOM 0 HA GLN B 24 7.671 -18.309 7.106 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.028 -20.191 8.848 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.128 -19.215 9.991 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.833 -19.611 7.310 1.00 0.00 H new ATOM 0 HG3 GLN B 24 5.945 -21.039 8.321 1.00 0.00 H new ATOM 0 HE21 GLN B 24 4.375 -17.904 7.938 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.324 -18.043 9.351 1.00 0.00 H new ATOM 1158 N LYS B 25 6.879 -16.391 9.636 1.00 0.00 N ATOM 1159 CA LYS B 25 5.984 -15.255 9.996 1.00 0.00 C ATOM 1160 C LYS B 25 6.285 -14.049 9.101 1.00 0.00 C ATOM 1161 O LYS B 25 5.395 -13.448 8.535 1.00 0.00 O ATOM 1162 CB LYS B 25 6.314 -14.936 11.455 1.00 0.00 C ATOM 1163 CG LYS B 25 5.233 -15.525 12.364 1.00 0.00 C ATOM 1164 CD LYS B 25 5.778 -16.770 13.066 1.00 0.00 C ATOM 1165 CE LYS B 25 4.895 -17.104 14.270 1.00 0.00 C ATOM 1166 NZ LYS B 25 5.845 -17.286 15.403 1.00 0.00 N ATOM 0 H LYS B 25 7.586 -16.624 10.333 1.00 0.00 H new ATOM 0 HA LYS B 25 4.930 -15.498 9.863 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.288 -15.348 11.717 1.00 0.00 H new ATOM 0 HB3 LYS B 25 6.376 -13.857 11.597 1.00 0.00 H new ATOM 0 HG2 LYS B 25 4.921 -14.786 13.102 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.351 -15.782 11.778 1.00 0.00 H new ATOM 0 HD2 LYS B 25 5.800 -17.611 12.373 1.00 0.00 H new ATOM 0 HD3 LYS B 25 6.804 -16.598 13.391 1.00 0.00 H new ATOM 0 HE2 LYS B 25 4.186 -16.302 14.474 1.00 0.00 H new ATOM 0 HE3 LYS B 25 4.312 -18.008 14.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.315 -17.518 16.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 6.504 -18.060 15.183 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 6.381 -16.407 15.551 1.00 0.00 H new ATOM 1180 N ILE B 26 7.535 -13.696 8.968 1.00 0.00 N ATOM 1181 CA ILE B 26 7.893 -12.532 8.107 1.00 0.00 C ATOM 1182 C ILE B 26 7.280 -12.700 6.714 1.00 0.00 C ATOM 1183 O ILE B 26 6.544 -11.855 6.243 1.00 0.00 O ATOM 1184 CB ILE B 26 9.419 -12.551 8.026 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.006 -12.309 9.417 1.00 0.00 C ATOM 1186 CG2 ILE B 26 9.896 -11.452 7.075 1.00 0.00 C ATOM 1187 CD1 ILE B 26 11.410 -12.911 9.491 1.00 0.00 C ATOM 0 H ILE B 26 8.323 -14.162 9.418 1.00 0.00 H new ATOM 0 HA ILE B 26 7.519 -11.590 8.509 1.00 0.00 H new ATOM 0 HB ILE B 26 9.749 -13.521 7.654 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.046 -11.240 9.625 1.00 0.00 H new ATOM 0 HG13 ILE B 26 9.366 -12.758 10.176 1.00 0.00 H new ATOM 0 HG21 ILE B 26 10.984 -11.467 7.018 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.479 -11.623 6.083 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.565 -10.482 7.445 1.00 0.00 H new ATOM 0 HD11 ILE B 26 11.828 -12.738 10.483 1.00 0.00 H new ATOM 0 HD12 ILE B 26 11.357 -13.983 9.301 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.047 -12.441 8.742 1.00 0.00 H new ATOM 1199 N HIS B 27 7.576 -13.784 6.052 1.00 0.00 N ATOM 1200 CA HIS B 27 7.008 -14.006 4.692 1.00 0.00 C ATOM 1201 C HIS B 27 5.481 -13.915 4.738 1.00 0.00 C ATOM 1202 O HIS B 27 4.833 -13.661 3.742 1.00 0.00 O ATOM 1203 CB HIS B 27 7.450 -15.417 4.301 1.00 0.00 C ATOM 1204 CG HIS B 27 7.843 -15.437 2.850 1.00 0.00 C ATOM 1205 ND1 HIS B 27 9.014 -14.853 2.394 1.00 0.00 N ATOM 1206 CD2 HIS B 27 7.231 -15.966 1.741 1.00 0.00 C ATOM 1207 CE1 HIS B 27 9.070 -15.043 1.063 1.00 0.00 C ATOM 1208 NE2 HIS B 27 8.008 -15.716 0.613 1.00 0.00 N ATOM 0 H HIS B 27 8.187 -14.526 6.394 1.00 0.00 H new ATOM 0 HA HIS B 27 7.350 -13.260 3.975 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.290 -15.731 4.920 1.00 0.00 H new ATOM 0 HB3 HIS B 27 6.641 -16.125 4.479 1.00 0.00 H new ATOM 0 HD2 HIS B 27 6.290 -16.496 1.743 1.00 0.00 H new ATOM 0 HE1 HIS B 27 9.876 -14.694 0.435 1.00 0.00 H new ATOM 0 HE2 HIS B 27 7.809 -15.988 -0.350 1.00 0.00 H new ATOM 1216 N GLU B 28 4.900 -14.118 5.890 1.00 0.00 N ATOM 1217 CA GLU B 28 3.416 -14.042 6.001 1.00 0.00 C ATOM 1218 C GLU B 28 2.967 -12.580 6.084 1.00 0.00 C ATOM 1219 O GLU B 28 1.952 -12.199 5.538 1.00 0.00 O ATOM 1220 CB GLU B 28 3.077 -14.781 7.295 1.00 0.00 C ATOM 1221 CG GLU B 28 2.077 -15.901 6.998 1.00 0.00 C ATOM 1222 CD GLU B 28 2.725 -16.932 6.072 1.00 0.00 C ATOM 1223 OE1 GLU B 28 3.900 -17.206 6.252 1.00 0.00 O ATOM 1224 OE2 GLU B 28 2.035 -17.432 5.199 1.00 0.00 O ATOM 0 H GLU B 28 5.390 -14.333 6.759 1.00 0.00 H new ATOM 0 HA GLU B 28 2.914 -14.480 5.138 1.00 0.00 H new ATOM 0 HB2 GLU B 28 3.983 -15.196 7.737 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.656 -14.087 8.023 1.00 0.00 H new ATOM 0 HG2 GLU B 28 1.762 -16.378 7.926 1.00 0.00 H new ATOM 0 HG3 GLU B 28 1.182 -15.489 6.532 1.00 0.00 H new ATOM 1231 N LEU B 29 3.720 -11.757 6.763 1.00 0.00 N ATOM 1232 CA LEU B 29 3.337 -10.320 6.880 1.00 0.00 C ATOM 1233 C LEU B 29 3.675 -9.580 5.583 1.00 0.00 C ATOM 1234 O LEU B 29 2.912 -8.766 5.105 1.00 0.00 O ATOM 1235 CB LEU B 29 4.172 -9.782 8.042 1.00 0.00 C ATOM 1236 CG LEU B 29 3.606 -10.304 9.363 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.685 -10.235 10.445 1.00 0.00 C ATOM 1238 CD2 LEU B 29 2.410 -9.445 9.780 1.00 0.00 C ATOM 0 H LEU B 29 4.583 -12.017 7.241 1.00 0.00 H new ATOM 0 HA LEU B 29 2.269 -10.186 7.053 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.211 -10.093 7.931 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.163 -8.692 8.036 1.00 0.00 H new ATOM 0 HG LEU B 29 3.285 -11.338 9.237 1.00 0.00 H new ATOM 0 HD11 LEU B 29 4.281 -10.607 11.386 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.537 -10.847 10.149 1.00 0.00 H new ATOM 0 HD13 LEU B 29 5.007 -9.202 10.572 1.00 0.00 H new ATOM 0 HD21 LEU B 29 2.006 -9.817 10.722 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.731 -8.411 9.906 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.640 -9.495 9.010 1.00 0.00 H new ATOM 1250 N GLU B 30 4.813 -9.861 5.009 1.00 0.00 N ATOM 1251 CA GLU B 30 5.196 -9.177 3.741 1.00 0.00 C ATOM 1252 C GLU B 30 4.197 -9.526 2.637 1.00 0.00 C ATOM 1253 O GLU B 30 3.747 -8.672 1.899 1.00 0.00 O ATOM 1254 CB GLU B 30 6.585 -9.721 3.401 1.00 0.00 C ATOM 1255 CG GLU B 30 7.341 -8.698 2.551 1.00 0.00 C ATOM 1256 CD GLU B 30 7.576 -9.272 1.152 1.00 0.00 C ATOM 1257 OE1 GLU B 30 7.797 -10.467 1.053 1.00 0.00 O ATOM 1258 OE2 GLU B 30 7.532 -8.505 0.204 1.00 0.00 O ATOM 0 H GLU B 30 5.493 -10.534 5.363 1.00 0.00 H new ATOM 0 HA GLU B 30 5.198 -8.091 3.838 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.139 -9.930 4.316 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.496 -10.663 2.861 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.770 -7.772 2.485 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.294 -8.453 3.020 1.00 0.00 H new ATOM 1265 N GLY B 31 3.841 -10.777 2.522 1.00 0.00 N ATOM 1266 CA GLY B 31 2.866 -11.180 1.470 1.00 0.00 C ATOM 1267 C GLY B 31 1.519 -10.513 1.748 1.00 0.00 C ATOM 1268 O GLY B 31 0.798 -10.145 0.842 1.00 0.00 O ATOM 0 H GLY B 31 4.183 -11.536 3.111 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.233 -10.888 0.486 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.753 -12.264 1.459 1.00 0.00 H new ATOM 1272 N LEU B 32 1.176 -10.350 2.997 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.123 -9.701 3.334 1.00 0.00 C ATOM 1274 C LEU B 32 -0.109 -8.239 2.882 1.00 0.00 C ATOM 1275 O LEU B 32 -1.115 -7.693 2.476 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.228 -9.792 4.857 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.685 -10.036 5.256 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.086 -11.463 4.879 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.837 -9.848 6.766 1.00 0.00 C ATOM 0 H LEU B 32 1.738 -10.638 3.798 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.968 -10.180 2.840 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.402 -10.601 5.228 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.135 -8.871 5.313 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.328 -9.328 4.733 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.124 -11.636 5.163 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.977 -11.599 3.803 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.443 -12.172 5.402 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.875 -10.021 7.052 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.194 -10.557 7.287 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.551 -8.832 7.037 1.00 0.00 H new ATOM 1291 N MET B 33 1.029 -7.603 2.949 1.00 0.00 N ATOM 1292 CA MET B 33 1.114 -6.176 2.523 1.00 0.00 C ATOM 1293 C MET B 33 0.708 -6.040 1.052 1.00 0.00 C ATOM 1294 O MET B 33 -0.242 -5.360 0.720 1.00 0.00 O ATOM 1295 CB MET B 33 2.583 -5.795 2.704 1.00 0.00 C ATOM 1296 CG MET B 33 2.706 -4.702 3.770 1.00 0.00 C ATOM 1297 SD MET B 33 4.422 -4.605 4.340 1.00 0.00 S ATOM 1298 CE MET B 33 5.155 -4.032 2.786 1.00 0.00 C ATOM 0 H MET B 33 1.904 -8.010 3.280 1.00 0.00 H new ATOM 0 HA MET B 33 0.450 -5.533 3.101 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.162 -6.670 2.999 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.996 -5.443 1.759 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.393 -3.742 3.360 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.045 -4.921 4.609 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.118 -4.520 2.636 1.00 0.00 H new ATOM 0 HE2 MET B 33 4.490 -4.278 1.958 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.298 -2.952 2.828 1.00 0.00 H new ATOM 1308 N MET B 34 1.429 -6.681 0.168 1.00 0.00 N ATOM 1309 CA MET B 34 1.097 -6.591 -1.287 1.00 0.00 C ATOM 1310 C MET B 34 -0.401 -6.813 -1.520 1.00 0.00 C ATOM 1311 O MET B 34 -1.023 -6.128 -2.307 1.00 0.00 O ATOM 1312 CB MET B 34 1.910 -7.707 -1.944 1.00 0.00 C ATOM 1313 CG MET B 34 3.253 -7.150 -2.418 1.00 0.00 C ATOM 1314 SD MET B 34 4.142 -8.425 -3.346 1.00 0.00 S ATOM 1315 CE MET B 34 5.044 -7.313 -4.452 1.00 0.00 C ATOM 0 H MET B 34 2.235 -7.264 0.391 1.00 0.00 H new ATOM 0 HA MET B 34 1.332 -5.609 -1.698 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.071 -8.519 -1.235 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.359 -8.124 -2.787 1.00 0.00 H new ATOM 0 HG2 MET B 34 3.094 -6.273 -3.045 1.00 0.00 H new ATOM 0 HG3 MET B 34 3.847 -6.827 -1.563 1.00 0.00 H new ATOM 0 HE1 MET B 34 5.820 -7.871 -4.976 1.00 0.00 H new ATOM 0 HE2 MET B 34 4.354 -6.883 -5.178 1.00 0.00 H new ATOM 0 HE3 MET B 34 5.502 -6.514 -3.870 1.00 0.00 H new ATOM 1325 N GLN B 35 -0.983 -7.764 -0.842 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.442 -8.029 -1.026 1.00 0.00 C ATOM 1327 C GLN B 35 -3.238 -6.725 -0.889 1.00 0.00 C ATOM 1328 O GLN B 35 -3.702 -6.164 -1.861 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.806 -9.007 0.095 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.317 -9.249 0.101 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.608 -10.676 -0.369 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.471 -10.983 -1.536 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -5.006 -11.567 0.498 1.00 0.00 N ATOM 0 H GLN B 35 -0.514 -8.370 -0.169 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.671 -8.435 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -2.278 -9.950 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.489 -8.606 1.058 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.716 -9.097 1.104 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.813 -8.531 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -5.121 -11.309 1.478 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -5.202 -12.521 0.195 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.398 -6.245 0.313 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.163 -4.981 0.521 1.00 0.00 C ATOM 1344 C HIS B 36 -3.634 -3.874 -0.398 1.00 0.00 C ATOM 1345 O HIS B 36 -4.384 -3.243 -1.116 1.00 0.00 O ATOM 1346 CB HIS B 36 -3.928 -4.624 1.986 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.644 -5.615 2.864 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -4.012 -6.736 3.380 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -5.936 -5.665 3.326 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -4.918 -7.408 4.114 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -6.106 -6.799 4.116 1.00 0.00 N ATOM 0 H HIS B 36 -3.032 -6.674 1.163 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.222 -5.095 0.290 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -2.861 -4.631 2.207 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.289 -3.615 2.188 1.00 0.00 H new ATOM 0 HD1 HIS B 36 -3.039 -7.003 3.231 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -6.703 -4.936 3.110 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -4.709 -8.329 4.638 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.346 -3.633 -0.382 1.00 0.00 N ATOM 1360 CA ALA B 37 -1.768 -2.565 -1.257 1.00 0.00 C ATOM 1361 C ALA B 37 -2.294 -2.715 -2.688 1.00 0.00 C ATOM 1362 O ALA B 37 -2.482 -1.746 -3.397 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.256 -2.793 -1.213 1.00 0.00 C ATOM 0 H ALA B 37 -1.670 -4.129 0.199 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.038 -1.563 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.243 -2.047 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA B 37 0.096 -2.705 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.027 -3.790 -1.590 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.545 -3.925 -3.111 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.074 -4.137 -4.489 1.00 0.00 C ATOM 1371 C GLN B 38 -4.553 -3.746 -4.534 1.00 0.00 C ATOM 1372 O GLN B 38 -5.034 -3.203 -5.508 1.00 0.00 O ATOM 1373 CB GLN B 38 -2.904 -5.634 -4.756 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.781 -5.846 -5.772 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.242 -7.273 -5.647 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -1.761 -8.187 -6.258 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -0.216 -7.504 -4.876 1.00 0.00 N ATOM 0 H GLN B 38 -2.407 -4.774 -2.563 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.555 -3.535 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.672 -6.156 -3.828 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.836 -6.055 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.153 -5.674 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.980 -5.127 -5.600 1.00 0.00 H new ATOM 0 HE21 GLN B 38 0.220 -6.737 -4.363 1.00 0.00 H new ATOM 0 HE22 GLN B 38 0.151 -8.451 -4.786 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.271 -4.010 -3.476 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.716 -3.647 -3.441 1.00 0.00 C ATOM 1388 C ASN B 39 -6.890 -2.280 -2.770 1.00 0.00 C ATOM 1389 O ASN B 39 -7.937 -1.963 -2.244 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.383 -4.743 -2.609 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.132 -6.103 -3.262 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -6.000 -6.491 -3.471 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -8.150 -6.850 -3.597 1.00 0.00 N ATOM 0 H ASN B 39 -4.918 -4.462 -2.633 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.152 -3.576 -4.437 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.986 -4.736 -1.594 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.454 -4.556 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -7.994 -7.758 -4.034 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.101 -6.525 -3.422 1.00 0.00 H new ATOM 1400 N LEU B 40 -5.862 -1.473 -2.787 1.00 0.00 N ATOM 1401 CA LEU B 40 -5.948 -0.125 -2.155 1.00 0.00 C ATOM 1402 C LEU B 40 -6.367 -0.242 -0.687 1.00 0.00 C ATOM 1403 O LEU B 40 -7.001 0.640 -0.141 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.008 0.630 -2.961 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.591 0.677 -4.433 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -7.096 -0.577 -5.146 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.198 1.918 -5.093 1.00 0.00 C ATOM 0 H LEU B 40 -4.962 -1.692 -3.214 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.987 0.390 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -7.975 0.137 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.124 1.642 -2.572 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.504 0.721 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.799 -0.544 -6.194 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.666 -1.461 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.183 -0.621 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.902 1.954 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.285 1.872 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.839 2.813 -4.584 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.008 -1.315 -0.039 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.376 -1.478 1.397 1.00 0.00 C ATOM 1421 C GLU B 41 -5.126 -1.350 2.277 1.00 0.00 C ATOM 1422 O GLU B 41 -5.118 -1.756 3.421 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.963 -2.886 1.500 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.288 -2.943 0.737 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.447 -2.699 1.705 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.320 -3.076 2.858 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.443 -2.138 1.277 1.00 0.00 O ATOM 0 H GLU B 41 -5.476 -2.087 -0.441 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.083 -0.719 1.733 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.263 -3.614 1.090 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.121 -3.150 2.546 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.297 -2.193 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.401 -3.914 0.256 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.069 -0.792 1.743 1.00 0.00 N ATOM 1435 CA PHE B 42 -2.808 -0.637 2.525 1.00 0.00 C ATOM 1436 C PHE B 42 -3.003 0.248 3.760 1.00 0.00 C ATOM 1437 O PHE B 42 -2.115 0.356 4.580 1.00 0.00 O ATOM 1438 CB PHE B 42 -1.805 0.007 1.561 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.395 1.252 0.936 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.669 2.389 1.731 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -2.659 1.285 -0.453 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.209 3.550 1.139 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.193 2.448 -1.043 1.00 0.00 C ATOM 1444 CZ PHE B 42 -3.470 3.580 -0.246 1.00 0.00 C ATOM 0 H PHE B 42 -4.027 -0.434 0.789 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.465 -1.601 2.899 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -0.889 0.260 2.095 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -1.533 -0.704 0.781 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -2.465 2.368 2.791 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -2.451 0.418 -1.062 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -3.423 4.416 1.747 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.390 2.473 -2.105 1.00 0.00 H new ATOM 0 HZ PHE B 42 -3.882 4.470 -0.698 1.00 0.00 H new ATOM 1454 N GLU B 43 -4.138 0.882 3.923 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.336 1.738 5.133 1.00 0.00 C ATOM 1456 C GLU B 43 -3.960 0.938 6.382 1.00 0.00 C ATOM 1457 O GLU B 43 -2.972 1.207 7.036 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.826 2.084 5.138 1.00 0.00 C ATOM 1459 CG GLU B 43 -6.158 2.896 6.392 1.00 0.00 C ATOM 1460 CD GLU B 43 -7.645 2.746 6.718 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -8.012 1.711 7.251 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -8.390 3.667 6.430 1.00 0.00 O ATOM 0 H GLU B 43 -4.928 0.845 3.278 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.720 2.637 5.122 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.081 2.654 4.245 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.422 1.172 5.114 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -5.554 2.552 7.232 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -5.914 3.946 6.233 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.727 -0.065 6.693 1.00 0.00 N ATOM 1470 CA GLU B 44 -4.406 -0.915 7.874 1.00 0.00 C ATOM 1471 C GLU B 44 -3.339 -1.951 7.491 1.00 0.00 C ATOM 1472 O GLU B 44 -2.678 -2.520 8.336 1.00 0.00 O ATOM 1473 CB GLU B 44 -5.721 -1.605 8.241 1.00 0.00 C ATOM 1474 CG GLU B 44 -6.231 -2.412 7.045 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.982 -3.647 7.546 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.330 -4.554 8.036 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -8.197 -3.664 7.429 1.00 0.00 O ATOM 0 H GLU B 44 -5.566 -0.336 6.180 1.00 0.00 H new ATOM 0 HA GLU B 44 -4.010 -0.337 8.709 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.571 -2.262 9.098 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.463 -0.862 8.534 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -6.889 -1.797 6.432 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -5.396 -2.713 6.413 1.00 0.00 H new ATOM 1484 N ALA B 45 -3.179 -2.205 6.216 1.00 0.00 N ATOM 1485 CA ALA B 45 -2.173 -3.211 5.761 1.00 0.00 C ATOM 1486 C ALA B 45 -0.754 -2.643 5.821 1.00 0.00 C ATOM 1487 O ALA B 45 0.145 -3.255 6.363 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.560 -3.515 4.311 1.00 0.00 C ATOM 0 H ALA B 45 -3.706 -1.755 5.467 1.00 0.00 H new ATOM 0 HA ALA B 45 -2.175 -4.099 6.394 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.869 -4.249 3.896 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.574 -3.913 4.281 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.512 -2.599 3.722 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.539 -1.486 5.261 1.00 0.00 N ATOM 1495 CA ALA B 46 0.828 -0.891 5.278 1.00 0.00 C ATOM 1496 C ALA B 46 1.400 -0.911 6.698 1.00 0.00 C ATOM 1497 O ALA B 46 2.596 -0.943 6.891 1.00 0.00 O ATOM 1498 CB ALA B 46 0.654 0.543 4.783 1.00 0.00 C ATOM 0 H ALA B 46 -1.250 -0.926 4.792 1.00 0.00 H new ATOM 0 HA ALA B 46 1.524 -1.449 4.651 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.622 1.043 4.769 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.237 0.532 3.776 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.022 1.079 5.450 1.00 0.00 H new ATOM 1504 N GLN B 47 0.555 -0.908 7.696 1.00 0.00 N ATOM 1505 CA GLN B 47 1.065 -0.942 9.098 1.00 0.00 C ATOM 1506 C GLN B 47 2.073 -2.083 9.255 1.00 0.00 C ATOM 1507 O GLN B 47 2.948 -2.046 10.097 1.00 0.00 O ATOM 1508 CB GLN B 47 -0.166 -1.194 9.968 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.772 0.143 10.397 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.419 -0.007 11.775 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -0.749 -0.301 12.745 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -2.704 0.183 11.903 1.00 0.00 N ATOM 0 H GLN B 47 -0.460 -0.884 7.602 1.00 0.00 H new ATOM 0 HA GLN B 47 1.573 -0.019 9.376 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.902 -1.778 9.415 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.110 -1.778 10.846 1.00 0.00 H new ATOM 0 HG2 GLN B 47 0.001 0.911 10.428 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -1.515 0.468 9.668 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -3.267 0.430 11.089 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -3.146 0.085 12.817 1.00 0.00 H new ATOM 1521 N ILE B 48 1.957 -3.093 8.437 1.00 0.00 N ATOM 1522 CA ILE B 48 2.907 -4.235 8.522 1.00 0.00 C ATOM 1523 C ILE B 48 4.315 -3.761 8.161 1.00 0.00 C ATOM 1524 O ILE B 48 5.300 -4.299 8.629 1.00 0.00 O ATOM 1525 CB ILE B 48 2.399 -5.251 7.498 1.00 0.00 C ATOM 1526 CG1 ILE B 48 1.026 -5.768 7.933 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.377 -6.424 7.410 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.257 -6.270 6.709 1.00 0.00 C ATOM 0 H ILE B 48 1.244 -3.176 7.713 1.00 0.00 H new ATOM 0 HA ILE B 48 2.959 -4.664 9.523 1.00 0.00 H new ATOM 0 HB ILE B 48 2.318 -4.772 6.522 1.00 0.00 H new ATOM 0 HG12 ILE B 48 1.142 -6.574 8.658 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.466 -4.973 8.426 1.00 0.00 H new ATOM 0 HG21 ILE B 48 3.013 -7.147 6.680 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.357 -6.059 7.102 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.459 -6.903 8.385 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.721 -6.638 7.019 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.128 -5.452 6.000 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.815 -7.077 6.235 1.00 0.00 H new ATOM 1540 N ARG B 49 4.420 -2.755 7.331 1.00 0.00 N ATOM 1541 CA ARG B 49 5.771 -2.243 6.942 1.00 0.00 C ATOM 1542 C ARG B 49 6.638 -2.030 8.190 1.00 0.00 C ATOM 1543 O ARG B 49 7.848 -2.120 8.143 1.00 0.00 O ATOM 1544 CB ARG B 49 5.515 -0.913 6.221 1.00 0.00 C ATOM 1545 CG ARG B 49 5.000 0.137 7.211 1.00 0.00 C ATOM 1546 CD ARG B 49 6.175 0.953 7.751 1.00 0.00 C ATOM 1547 NE ARG B 49 5.745 1.393 9.107 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.462 2.258 9.770 1.00 0.00 C ATOM 1549 NH1 ARG B 49 7.710 1.995 10.048 1.00 0.00 N ATOM 1550 NH2 ARG B 49 5.931 3.387 10.155 1.00 0.00 N ATOM 0 H ARG B 49 3.632 -2.266 6.906 1.00 0.00 H new ATOM 0 HA ARG B 49 6.306 -2.946 6.303 1.00 0.00 H new ATOM 0 HB2 ARG B 49 6.435 -0.562 5.754 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.787 -1.058 5.423 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.283 0.795 6.719 1.00 0.00 H new ATOM 0 HG3 ARG B 49 4.474 -0.350 8.032 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.083 0.353 7.800 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.391 1.807 7.109 1.00 0.00 H new ATOM 0 HE ARG B 49 4.890 1.018 9.517 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.125 1.113 9.747 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.271 2.671 10.566 1.00 0.00 H new ATOM 0 HH21 ARG B 49 4.956 3.592 9.937 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.491 4.064 10.673 1.00 0.00 H new ATOM 1564 N ASP B 50 6.020 -1.754 9.306 1.00 0.00 N ATOM 1565 CA ASP B 50 6.801 -1.543 10.558 1.00 0.00 C ATOM 1566 C ASP B 50 7.228 -2.895 11.131 1.00 0.00 C ATOM 1567 O ASP B 50 8.362 -3.084 11.523 1.00 0.00 O ATOM 1568 CB ASP B 50 5.840 -0.833 11.511 1.00 0.00 C ATOM 1569 CG ASP B 50 6.567 0.320 12.205 1.00 0.00 C ATOM 1570 OD1 ASP B 50 7.764 0.201 12.409 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.916 1.301 12.521 1.00 0.00 O ATOM 0 H ASP B 50 5.009 -1.666 9.405 1.00 0.00 H new ATOM 0 HA ASP B 50 7.708 -0.961 10.394 1.00 0.00 H new ATOM 0 HB2 ASP B 50 4.979 -0.455 10.960 1.00 0.00 H new ATOM 0 HB3 ASP B 50 5.461 -1.536 12.252 1.00 0.00 H new ATOM 1576 N GLN B 51 6.328 -3.840 11.176 1.00 0.00 N ATOM 1577 CA GLN B 51 6.687 -5.182 11.716 1.00 0.00 C ATOM 1578 C GLN B 51 7.668 -5.878 10.769 1.00 0.00 C ATOM 1579 O GLN B 51 8.575 -6.565 11.193 1.00 0.00 O ATOM 1580 CB GLN B 51 5.366 -5.950 11.779 1.00 0.00 C ATOM 1581 CG GLN B 51 4.376 -5.193 12.666 1.00 0.00 C ATOM 1582 CD GLN B 51 2.948 -5.619 12.317 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.034 -4.821 12.370 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.718 -6.853 11.959 1.00 0.00 N ATOM 0 H GLN B 51 5.362 -3.741 10.863 1.00 0.00 H new ATOM 0 HA GLN B 51 7.169 -5.123 12.692 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.955 -6.069 10.777 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.534 -6.951 12.176 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.582 -5.399 13.716 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.491 -4.119 12.523 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.486 -7.523 11.915 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.770 -7.148 11.724 1.00 0.00 H new ATOM 1593 N LEU B 52 7.494 -5.700 9.488 1.00 0.00 N ATOM 1594 CA LEU B 52 8.417 -6.346 8.511 1.00 0.00 C ATOM 1595 C LEU B 52 9.841 -5.822 8.707 1.00 0.00 C ATOM 1596 O LEU B 52 10.799 -6.569 8.668 1.00 0.00 O ATOM 1597 CB LEU B 52 7.882 -5.943 7.134 1.00 0.00 C ATOM 1598 CG LEU B 52 7.396 -7.187 6.386 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.566 -8.150 6.177 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.305 -7.881 7.205 1.00 0.00 C ATOM 0 H LEU B 52 6.752 -5.135 9.075 1.00 0.00 H new ATOM 0 HA LEU B 52 8.456 -7.429 8.632 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.064 -5.231 7.245 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.664 -5.444 6.561 1.00 0.00 H new ATOM 0 HG LEU B 52 6.993 -6.892 5.417 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.218 -9.035 5.644 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.343 -7.657 5.593 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.972 -8.445 7.145 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.959 -8.767 6.673 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.709 -8.175 8.174 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.470 -7.196 7.352 1.00 0.00 H new ATOM 1612 N HIS B 53 9.989 -4.542 8.919 1.00 0.00 N ATOM 1613 CA HIS B 53 11.351 -3.970 9.119 1.00 0.00 C ATOM 1614 C HIS B 53 11.923 -4.425 10.464 1.00 0.00 C ATOM 1615 O HIS B 53 13.048 -4.875 10.552 1.00 0.00 O ATOM 1616 CB HIS B 53 11.152 -2.455 9.105 1.00 0.00 C ATOM 1617 CG HIS B 53 10.696 -2.021 7.739 1.00 0.00 C ATOM 1618 ND1 HIS B 53 10.181 -0.756 7.499 1.00 0.00 N ATOM 1619 CD2 HIS B 53 10.671 -2.670 6.531 1.00 0.00 C ATOM 1620 CE1 HIS B 53 9.871 -0.686 6.192 1.00 0.00 C ATOM 1621 NE2 HIS B 53 10.150 -1.826 5.554 1.00 0.00 N ATOM 0 H HIS B 53 9.225 -3.868 8.962 1.00 0.00 H new ATOM 0 HA HIS B 53 12.052 -4.295 8.350 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.415 -2.168 9.854 1.00 0.00 H new ATOM 0 HB3 HIS B 53 12.084 -1.953 9.366 1.00 0.00 H new ATOM 0 HD2 HIS B 53 11.005 -3.683 6.363 1.00 0.00 H new ATOM 0 HE1 HIS B 53 9.448 0.186 5.716 1.00 0.00 H new ATOM 0 HE2 HIS B 53 10.011 -2.033 4.565 1.00 0.00 H new ATOM 1629 N GLN B 54 11.157 -4.310 11.514 1.00 0.00 N ATOM 1630 CA GLN B 54 11.657 -4.735 12.853 1.00 0.00 C ATOM 1631 C GLN B 54 11.977 -6.232 12.845 1.00 0.00 C ATOM 1632 O GLN B 54 13.000 -6.661 13.339 1.00 0.00 O ATOM 1633 CB GLN B 54 10.510 -4.436 13.818 1.00 0.00 C ATOM 1634 CG GLN B 54 11.038 -3.623 15.002 1.00 0.00 C ATOM 1635 CD GLN B 54 9.877 -3.255 15.927 1.00 0.00 C ATOM 1636 OE1 GLN B 54 8.948 -2.588 15.519 1.00 0.00 O ATOM 1637 NE2 GLN B 54 9.891 -3.666 17.166 1.00 0.00 N ATOM 0 H GLN B 54 10.206 -3.940 11.503 1.00 0.00 H new ATOM 0 HA GLN B 54 12.572 -4.216 13.137 1.00 0.00 H new ATOM 0 HB2 GLN B 54 9.724 -3.882 13.305 1.00 0.00 H new ATOM 0 HB3 GLN B 54 10.066 -5.367 14.171 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.784 -4.200 15.549 1.00 0.00 H new ATOM 0 HG3 GLN B 54 11.533 -2.720 14.645 1.00 0.00 H new ATOM 0 HE21 GLN B 54 10.671 -4.226 17.509 1.00 0.00 H new ATOM 0 HE22 GLN B 54 9.122 -3.427 17.791 1.00 0.00 H new ATOM 1646 N LEU B 55 11.108 -7.030 12.287 1.00 0.00 N ATOM 1647 CA LEU B 55 11.363 -8.499 12.248 1.00 0.00 C ATOM 1648 C LEU B 55 12.621 -8.795 11.427 1.00 0.00 C ATOM 1649 O LEU B 55 13.306 -9.772 11.654 1.00 0.00 O ATOM 1650 CB LEU B 55 10.128 -9.098 11.573 1.00 0.00 C ATOM 1651 CG LEU B 55 9.059 -9.387 12.627 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.696 -8.917 12.116 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.008 -10.893 12.901 1.00 0.00 C ATOM 0 H LEU B 55 10.233 -6.729 11.857 1.00 0.00 H new ATOM 0 HA LEU B 55 11.527 -8.917 13.241 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.739 -8.407 10.825 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.396 -10.016 11.050 1.00 0.00 H new ATOM 0 HG LEU B 55 9.304 -8.856 13.547 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.935 -9.123 12.868 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.731 -7.845 11.920 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.450 -9.447 11.196 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.246 -11.101 13.652 1.00 0.00 H new ATOM 0 HD22 LEU B 55 8.763 -11.422 11.980 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.978 -11.230 13.266 1.00 0.00 H new ATOM 1665 N ARG B 56 12.930 -7.958 10.474 1.00 0.00 N ATOM 1666 CA ARG B 56 14.144 -8.192 9.640 1.00 0.00 C ATOM 1667 C ARG B 56 15.384 -8.293 10.532 1.00 0.00 C ATOM 1668 O ARG B 56 16.062 -9.302 10.556 1.00 0.00 O ATOM 1669 CB ARG B 56 14.239 -6.969 8.728 1.00 0.00 C ATOM 1670 CG ARG B 56 15.412 -7.143 7.760 1.00 0.00 C ATOM 1671 CD ARG B 56 15.952 -5.768 7.359 1.00 0.00 C ATOM 1672 NE ARG B 56 17.317 -6.033 6.825 1.00 0.00 N ATOM 1673 CZ ARG B 56 18.358 -5.893 7.599 1.00 0.00 C ATOM 1674 NH1 ARG B 56 19.000 -4.757 7.632 1.00 0.00 N ATOM 1675 NH2 ARG B 56 18.759 -6.890 8.340 1.00 0.00 N ATOM 0 H ARG B 56 12.395 -7.123 10.237 1.00 0.00 H new ATOM 0 HA ARG B 56 14.083 -9.120 9.072 1.00 0.00 H new ATOM 0 HB2 ARG B 56 13.310 -6.844 8.172 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.377 -6.067 9.325 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.200 -7.732 8.229 1.00 0.00 H new ATOM 0 HG3 ARG B 56 15.089 -7.691 6.875 1.00 0.00 H new ATOM 0 HD2 ARG B 56 15.318 -5.299 6.607 1.00 0.00 H new ATOM 0 HD3 ARG B 56 15.986 -5.092 8.214 1.00 0.00 H new ATOM 0 HE ARG B 56 17.438 -6.324 5.855 1.00 0.00 H new ATOM 0 HH11 ARG B 56 18.688 -3.978 7.052 1.00 0.00 H new ATOM 0 HH12 ARG B 56 19.814 -4.648 8.237 1.00 0.00 H new ATOM 0 HH21 ARG B 56 18.259 -7.778 8.314 1.00 0.00 H new ATOM 0 HH22 ARG B 56 19.573 -6.781 8.945 1.00 0.00 H new ATOM 1689 N GLU B 57 15.685 -7.258 11.267 1.00 0.00 N ATOM 1690 CA GLU B 57 16.881 -7.297 12.157 1.00 0.00 C ATOM 1691 C GLU B 57 16.747 -8.439 13.167 1.00 0.00 C ATOM 1692 O GLU B 57 17.725 -8.925 13.702 1.00 0.00 O ATOM 1693 CB GLU B 57 16.888 -5.946 12.871 1.00 0.00 C ATOM 1694 CG GLU B 57 15.553 -5.741 13.591 1.00 0.00 C ATOM 1695 CD GLU B 57 15.725 -4.700 14.699 1.00 0.00 C ATOM 1696 OE1 GLU B 57 16.613 -4.875 15.517 1.00 0.00 O ATOM 1697 OE2 GLU B 57 14.966 -3.746 14.710 1.00 0.00 O ATOM 0 H GLU B 57 15.155 -6.387 11.290 1.00 0.00 H new ATOM 0 HA GLU B 57 17.804 -7.468 11.604 1.00 0.00 H new ATOM 0 HB2 GLU B 57 17.709 -5.905 13.587 1.00 0.00 H new ATOM 0 HB3 GLU B 57 17.052 -5.144 12.152 1.00 0.00 H new ATOM 0 HG2 GLU B 57 14.793 -5.412 12.883 1.00 0.00 H new ATOM 0 HG3 GLU B 57 15.207 -6.684 14.014 1.00 0.00 H new ATOM 1704 N LEU B 58 15.545 -8.870 13.434 1.00 0.00 N ATOM 1705 CA LEU B 58 15.349 -9.981 14.409 1.00 0.00 C ATOM 1706 C LEU B 58 15.811 -11.309 13.802 1.00 0.00 C ATOM 1707 O LEU B 58 16.082 -12.262 14.505 1.00 0.00 O ATOM 1708 CB LEU B 58 13.844 -10.009 14.680 1.00 0.00 C ATOM 1709 CG LEU B 58 13.566 -9.447 16.074 1.00 0.00 C ATOM 1710 CD1 LEU B 58 12.060 -9.239 16.249 1.00 0.00 C ATOM 1711 CD2 LEU B 58 14.069 -10.433 17.130 1.00 0.00 C ATOM 0 H LEU B 58 14.689 -8.501 13.019 1.00 0.00 H new ATOM 0 HA LEU B 58 15.925 -9.834 15.322 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.317 -9.422 13.928 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.470 -11.030 14.607 1.00 0.00 H new ATOM 0 HG LEU B 58 14.081 -8.494 16.191 1.00 0.00 H new ATOM 0 HD11 LEU B 58 11.861 -8.838 17.243 1.00 0.00 H new ATOM 0 HD12 LEU B 58 11.700 -8.538 15.496 1.00 0.00 H new ATOM 0 HD13 LEU B 58 11.545 -10.193 16.133 1.00 0.00 H new ATOM 0 HD21 LEU B 58 13.871 -10.033 18.125 1.00 0.00 H new ATOM 0 HD22 LEU B 58 13.553 -11.386 17.013 1.00 0.00 H new ATOM 0 HD23 LEU B 58 15.141 -10.583 17.006 1.00 0.00 H new ATOM 1723 N PHE B 59 15.904 -11.379 12.501 1.00 0.00 N ATOM 1724 CA PHE B 59 16.348 -12.647 11.851 1.00 0.00 C ATOM 1725 C PHE B 59 17.665 -13.126 12.467 1.00 0.00 C ATOM 1726 O PHE B 59 17.828 -14.288 12.781 1.00 0.00 O ATOM 1727 CB PHE B 59 16.543 -12.289 10.378 1.00 0.00 C ATOM 1728 CG PHE B 59 16.770 -13.551 9.580 1.00 0.00 C ATOM 1729 CD1 PHE B 59 18.075 -14.075 9.444 1.00 0.00 C ATOM 1730 CD2 PHE B 59 15.678 -14.207 8.969 1.00 0.00 C ATOM 1731 CE1 PHE B 59 18.288 -15.257 8.698 1.00 0.00 C ATOM 1732 CE2 PHE B 59 15.891 -15.387 8.222 1.00 0.00 C ATOM 1733 CZ PHE B 59 17.196 -15.912 8.086 1.00 0.00 C ATOM 0 H PHE B 59 15.692 -10.614 11.860 1.00 0.00 H new ATOM 0 HA PHE B 59 15.626 -13.453 11.983 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.667 -11.761 10.002 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.394 -11.617 10.265 1.00 0.00 H new ATOM 0 HD1 PHE B 59 18.910 -13.573 9.910 1.00 0.00 H new ATOM 0 HD2 PHE B 59 14.680 -13.806 9.073 1.00 0.00 H new ATOM 0 HE1 PHE B 59 19.285 -15.659 8.596 1.00 0.00 H new ATOM 0 HE2 PHE B 59 15.056 -15.888 7.755 1.00 0.00 H new ATOM 0 HZ PHE B 59 17.359 -16.814 7.514 1.00 0.00 H new ATOM 1743 N ILE B 60 18.606 -12.239 12.643 1.00 0.00 N ATOM 1744 CA ILE B 60 19.911 -12.646 13.239 1.00 0.00 C ATOM 1745 C ILE B 60 19.748 -12.905 14.738 1.00 0.00 C ATOM 1746 O ILE B 60 20.365 -13.791 15.296 1.00 0.00 O ATOM 1747 CB ILE B 60 20.843 -11.459 12.997 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.961 -11.202 11.492 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.227 -11.771 13.569 1.00 0.00 C ATOM 1750 CD1 ILE B 60 21.465 -9.778 11.255 1.00 0.00 C ATOM 0 H ILE B 60 18.528 -11.251 12.400 1.00 0.00 H new ATOM 0 HA ILE B 60 20.299 -13.565 12.799 1.00 0.00 H new ATOM 0 HB ILE B 60 20.438 -10.574 13.488 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.646 -11.921 11.042 1.00 0.00 H new ATOM 0 HG13 ILE B 60 19.992 -11.341 11.012 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.891 -10.924 13.396 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.145 -11.955 14.640 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.632 -12.656 13.079 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.549 -9.595 10.184 1.00 0.00 H new ATOM 0 HD12 ILE B 60 20.763 -9.067 11.691 1.00 0.00 H new ATOM 0 HD13 ILE B 60 22.442 -9.656 11.722 1.00 0.00 H new ATOM 1762 N ALA B 61 18.923 -12.137 15.396 1.00 0.00 N ATOM 1763 CA ALA B 61 18.721 -12.341 16.859 1.00 0.00 C ATOM 1764 C ALA B 61 17.902 -13.610 17.111 1.00 0.00 C ATOM 1765 O ALA B 61 17.922 -14.169 18.189 1.00 0.00 O ATOM 1766 CB ALA B 61 17.953 -11.105 17.329 1.00 0.00 C ATOM 0 H ALA B 61 18.380 -11.378 14.984 1.00 0.00 H new ATOM 0 HA ALA B 61 19.664 -12.463 17.392 1.00 0.00 H new ATOM 0 HB1 ALA B 61 17.765 -11.179 18.400 1.00 0.00 H new ATOM 0 HB2 ALA B 61 18.543 -10.211 17.125 1.00 0.00 H new ATOM 0 HB3 ALA B 61 17.004 -11.042 16.797 1.00 0.00 H new ATOM 1772 N ALA B 62 17.181 -14.070 16.125 1.00 0.00 N ATOM 1773 CA ALA B 62 16.362 -15.302 16.311 1.00 0.00 C ATOM 1774 C ALA B 62 17.192 -16.545 15.977 1.00 0.00 C ATOM 1775 O ALA B 62 17.431 -17.387 16.819 1.00 0.00 O ATOM 1776 CB ALA B 62 15.198 -15.156 15.329 1.00 0.00 C ATOM 0 H ALA B 62 17.124 -13.646 15.199 1.00 0.00 H new ATOM 0 HA ALA B 62 16.017 -15.417 17.339 1.00 0.00 H new ATOM 0 HB1 ALA B 62 14.546 -16.027 15.405 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.631 -14.256 15.568 1.00 0.00 H new ATOM 0 HB3 ALA B 62 15.586 -15.081 14.313 1.00 0.00 H new ATOM 1782 N SER B 63 17.635 -16.664 14.755 1.00 0.00 N ATOM 1783 CA SER B 63 18.449 -17.852 14.370 1.00 0.00 C ATOM 1784 C SER B 63 19.718 -17.923 15.224 1.00 0.00 C ATOM 1785 O SER B 63 20.127 -16.890 15.728 1.00 0.00 O ATOM 1786 CB SER B 63 18.804 -17.628 12.900 1.00 0.00 C ATOM 1787 OG SER B 63 18.933 -18.887 12.252 1.00 0.00 O ATOM 1788 OXT SER B 63 20.257 -19.009 15.358 1.00 0.00 O ATOM 0 H SER B 63 17.469 -15.991 14.007 1.00 0.00 H new ATOM 0 HA SER B 63 17.912 -18.788 14.522 1.00 0.00 H new ATOM 0 HB2 SER B 63 18.031 -17.033 12.414 1.00 0.00 H new ATOM 0 HB3 SER B 63 19.735 -17.067 12.820 1.00 0.00 H new ATOM 0 HG SER B 63 19.159 -18.748 11.309 1.00 0.00 H new