USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 694 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 53 GLN : amide:sc= -0.184 X(o=-0.36,f=-0.68) USER MOD Set 1.2: A 61 TYR OH : rot -39:sc= -0.178 USER MOD Single : A 17 ASN : amide:sc= 0.945 K(o=0.95,f=-0.88) USER MOD Single : A 19 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.19) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.34 F(o=-2.9!,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -1.77 F(o=-3.7!,f=-1.8) USER MOD Single : A 35 ASN : amide:sc= -4.14! C(o=-4.1!,f=-6.5!) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0485) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.235 K(o=-0.24,f=-1.5!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.208 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 29:sc= -0.73 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -1.24 (180deg=-1.93) USER MOD Single : A 52 GLN : amide:sc= -1.68! C(o=-1.7!,f=-3.6!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -109:sc= -2.53! (180deg=-7.13!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.1) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 158:sc= 0 (180deg=-0.808) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.622 K(o=-0.62,f=-4.2!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLU A 13 -12.403 -4.873 1.966 1.00 0.00 N ATOM 148 CA GLU A 13 -13.131 -3.987 2.852 1.00 0.00 C ATOM 149 C GLU A 13 -12.477 -2.612 2.865 1.00 0.00 C ATOM 150 O GLU A 13 -11.282 -2.492 3.124 1.00 0.00 O ATOM 151 CB GLU A 13 -13.160 -4.586 4.256 1.00 0.00 C ATOM 152 CG GLU A 13 -14.600 -4.630 4.759 1.00 0.00 C ATOM 153 CD GLU A 13 -14.746 -3.845 6.055 1.00 0.00 C ATOM 154 OE1 GLU A 13 -14.319 -2.669 6.058 1.00 0.00 O ATOM 155 OE2 GLU A 13 -15.281 -4.434 7.018 1.00 0.00 O ATOM 0 HA GLU A 13 -14.155 -3.874 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.737 -5.590 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.546 -3.990 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.267 -4.217 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.902 -5.665 4.920 1.00 0.00 H new ATOM 162 N PRO A 14 -13.267 -1.574 2.584 1.00 0.00 N ATOM 163 CA PRO A 14 -12.823 -0.197 2.551 1.00 0.00 C ATOM 164 C PRO A 14 -12.568 0.291 3.970 1.00 0.00 C ATOM 165 O PRO A 14 -13.414 0.127 4.847 1.00 0.00 O ATOM 166 CB PRO A 14 -13.977 0.571 1.908 1.00 0.00 C ATOM 167 CG PRO A 14 -15.199 -0.245 2.321 1.00 0.00 C ATOM 168 CD PRO A 14 -14.676 -1.679 2.274 1.00 0.00 C ATOM 0 HA PRO A 14 -11.894 -0.064 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.033 1.596 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.873 0.624 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.549 0.026 3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.035 -0.096 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.193 -2.311 2.996 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.832 -2.124 1.291 1.00 0.00 H new ATOM 176 N VAL A 15 -11.397 0.891 4.196 1.00 0.00 N ATOM 177 CA VAL A 15 -11.036 1.396 5.505 1.00 0.00 C ATOM 178 C VAL A 15 -10.287 2.713 5.359 1.00 0.00 C ATOM 179 O VAL A 15 -10.328 3.340 4.303 1.00 0.00 O ATOM 180 CB VAL A 15 -10.177 0.363 6.229 1.00 0.00 C ATOM 181 CG1 VAL A 15 -10.066 0.737 7.704 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.820 -1.014 6.100 1.00 0.00 C ATOM 0 H VAL A 15 -10.685 1.035 3.480 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.937 1.575 6.092 1.00 0.00 H new ATOM 0 HB VAL A 15 -9.182 0.342 5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.453 -0.001 8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.606 1.721 7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.060 0.759 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.207 -1.752 6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.815 -0.994 6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.898 -1.282 5.046 1.00 0.00 H new ATOM 192 N GLY A 16 -9.602 3.134 6.425 1.00 0.00 N ATOM 193 CA GLY A 16 -8.852 4.374 6.407 1.00 0.00 C ATOM 194 C GLY A 16 -8.728 4.936 7.816 1.00 0.00 C ATOM 195 O GLY A 16 -9.722 5.334 8.419 1.00 0.00 O ATOM 0 H GLY A 16 -9.557 2.627 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.861 4.201 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.349 5.098 5.762 1.00 0.00 H new ATOM 199 N ASN A 17 -7.501 4.970 8.339 1.00 0.00 N ATOM 200 CA ASN A 17 -7.254 5.483 9.671 1.00 0.00 C ATOM 201 C ASN A 17 -5.758 5.509 9.948 1.00 0.00 C ATOM 202 O ASN A 17 -5.160 4.480 10.255 1.00 0.00 O ATOM 203 CB ASN A 17 -7.978 4.611 10.694 1.00 0.00 C ATOM 204 CG ASN A 17 -8.943 5.439 11.529 1.00 0.00 C ATOM 205 OD1 ASN A 17 -8.600 5.876 12.625 1.00 0.00 O ATOM 206 ND2 ASN A 17 -10.152 5.656 11.007 1.00 0.00 N ATOM 0 H ASN A 17 -6.666 4.645 7.852 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.634 6.502 9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.523 3.818 10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.250 4.128 11.345 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.839 6.206 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.389 5.271 10.093 1.00 0.00 H new ATOM 213 N GLU A 18 -5.151 6.694 9.839 1.00 0.00 N ATOM 214 CA GLU A 18 -3.730 6.848 10.079 1.00 0.00 C ATOM 215 C GLU A 18 -3.405 6.484 11.522 1.00 0.00 C ATOM 216 O GLU A 18 -2.316 5.992 11.810 1.00 0.00 O ATOM 217 CB GLU A 18 -3.319 8.286 9.778 1.00 0.00 C ATOM 218 CG GLU A 18 -4.032 9.232 10.740 1.00 0.00 C ATOM 219 CD GLU A 18 -3.501 10.652 10.599 1.00 0.00 C ATOM 220 OE1 GLU A 18 -3.505 11.147 9.452 1.00 0.00 O ATOM 221 OE2 GLU A 18 -3.102 11.214 11.641 1.00 0.00 O ATOM 0 H GLU A 18 -5.631 7.558 9.585 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.172 6.179 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.239 8.395 9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.571 8.539 8.748 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.104 9.219 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.893 8.888 11.765 1.00 0.00 H new ATOM 228 N ASN A 19 -4.355 6.727 12.428 1.00 0.00 N ATOM 229 CA ASN A 19 -4.165 6.423 13.831 1.00 0.00 C ATOM 230 C ASN A 19 -3.559 5.036 13.984 1.00 0.00 C ATOM 231 O ASN A 19 -2.963 4.725 15.013 1.00 0.00 O ATOM 232 CB ASN A 19 -5.507 6.510 14.554 1.00 0.00 C ATOM 233 CG ASN A 19 -5.505 7.643 15.570 1.00 0.00 C ATOM 234 OD1 ASN A 19 -4.580 7.758 16.372 1.00 0.00 O ATOM 235 ND2 ASN A 19 -6.542 8.482 15.533 1.00 0.00 N ATOM 0 H ASN A 19 -5.263 7.135 12.205 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.479 7.146 14.273 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.305 6.668 13.829 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.715 5.566 15.057 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.591 9.261 16.190 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.285 8.344 14.848 1.00 0.00 H new ATOM 242 N ASP A 20 -3.714 4.200 12.956 1.00 0.00 N ATOM 243 CA ASP A 20 -3.183 2.852 12.978 1.00 0.00 C ATOM 244 C ASP A 20 -1.753 2.852 12.457 1.00 0.00 C ATOM 245 O ASP A 20 -1.529 2.669 11.261 1.00 0.00 O ATOM 246 CB ASP A 20 -4.068 1.943 12.131 1.00 0.00 C ATOM 247 CG ASP A 20 -5.510 2.429 12.137 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.888 3.072 13.140 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.209 2.148 11.139 1.00 0.00 O ATOM 0 H ASP A 20 -4.207 4.442 12.097 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.175 2.477 14.001 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.694 1.915 11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.022 0.924 12.515 1.00 0.00 H new ATOM 254 N LEU A 21 -0.789 3.058 13.355 1.00 0.00 N ATOM 255 CA LEU A 21 0.626 3.096 12.987 1.00 0.00 C ATOM 256 C LEU A 21 0.977 2.024 11.952 1.00 0.00 C ATOM 257 O LEU A 21 1.665 2.303 10.970 1.00 0.00 O ATOM 258 CB LEU A 21 1.487 2.912 14.240 1.00 0.00 C ATOM 259 CG LEU A 21 1.272 1.577 14.984 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.559 0.759 15.039 1.00 0.00 C ATOM 261 CD2 LEU A 21 0.742 1.819 16.393 1.00 0.00 C ATOM 0 H LEU A 21 -0.965 3.202 14.349 1.00 0.00 H new ATOM 0 HA LEU A 21 0.828 4.067 12.535 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.537 2.989 13.957 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.282 3.732 14.928 1.00 0.00 H new ATOM 0 HG LEU A 21 0.530 1.007 14.425 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.374 -0.175 15.569 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.895 0.540 14.025 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.329 1.327 15.562 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.599 0.863 16.897 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.458 2.421 16.953 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.210 2.347 16.338 1.00 0.00 H new ATOM 273 N HIS A 22 0.497 0.799 12.190 1.00 0.00 N ATOM 274 CA HIS A 22 0.738 -0.331 11.291 1.00 0.00 C ATOM 275 C HIS A 22 0.338 0.034 9.850 1.00 0.00 C ATOM 276 O HIS A 22 1.159 -0.102 8.942 1.00 0.00 O ATOM 277 CB HIS A 22 -0.022 -1.570 11.778 1.00 0.00 C ATOM 278 CG HIS A 22 0.090 -2.736 10.842 1.00 0.00 C ATOM 279 ND1 HIS A 22 0.114 -2.789 9.489 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 0.207 -4.039 11.276 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 0.242 -4.111 9.138 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 0.298 -4.845 10.232 1.00 0.00 N flip ATOM 0 H HIS A 22 -0.067 0.565 13.007 1.00 0.00 H new ATOM 0 HA HIS A 22 1.803 -0.563 11.296 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.359 -1.860 12.757 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.074 -1.316 11.907 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.222 -4.353 12.309 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.289 -4.489 8.127 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.395 -5.860 10.267 1.00 0.00 H new ATOM 291 N LEU A 23 -0.904 0.474 9.647 1.00 0.00 N ATOM 292 CA LEU A 23 -1.402 0.823 8.317 1.00 0.00 C ATOM 293 C LEU A 23 -0.451 1.771 7.581 1.00 0.00 C ATOM 294 O LEU A 23 0.022 1.472 6.487 1.00 0.00 O ATOM 295 CB LEU A 23 -2.786 1.466 8.439 1.00 0.00 C ATOM 296 CG LEU A 23 -3.886 0.533 8.992 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.700 -0.093 7.862 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.285 -0.555 9.872 1.00 0.00 C ATOM 0 H LEU A 23 -1.588 0.598 10.393 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.468 -0.095 7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.710 2.339 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.093 1.824 7.456 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.556 1.141 9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.466 -0.744 8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.175 0.694 7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.041 -0.676 7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.080 -1.199 10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.583 -1.150 9.287 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.761 -0.097 10.711 1.00 0.00 H new ATOM 310 N VAL A 24 -0.181 2.925 8.197 1.00 0.00 N ATOM 311 CA VAL A 24 0.698 3.917 7.613 1.00 0.00 C ATOM 312 C VAL A 24 2.041 3.283 7.281 1.00 0.00 C ATOM 313 O VAL A 24 2.574 3.487 6.193 1.00 0.00 O ATOM 314 CB VAL A 24 0.874 5.078 8.588 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.207 5.769 8.322 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.264 6.077 8.399 1.00 0.00 C ATOM 0 H VAL A 24 -0.565 3.187 9.105 1.00 0.00 H new ATOM 0 HA VAL A 24 0.260 4.299 6.691 1.00 0.00 H new ATOM 0 HB VAL A 24 0.860 4.699 9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.332 6.598 9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.020 5.056 8.457 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.223 6.148 7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.139 6.907 9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.250 6.455 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.217 5.583 8.590 1.00 0.00 H new ATOM 326 N ASP A 25 2.588 2.512 8.223 1.00 0.00 N ATOM 327 CA ASP A 25 3.864 1.853 8.028 1.00 0.00 C ATOM 328 C ASP A 25 3.933 1.273 6.623 1.00 0.00 C ATOM 329 O ASP A 25 4.948 1.417 5.940 1.00 0.00 O ATOM 330 CB ASP A 25 4.036 0.758 9.075 1.00 0.00 C ATOM 331 CG ASP A 25 5.454 0.205 9.056 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.385 1.022 9.227 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.581 -1.026 8.869 1.00 0.00 O ATOM 0 H ASP A 25 2.158 2.333 9.130 1.00 0.00 H new ATOM 0 HA ASP A 25 4.673 2.575 8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.810 1.157 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.325 -0.046 8.886 1.00 0.00 H new ATOM 338 N LEU A 26 2.854 0.617 6.193 1.00 0.00 N ATOM 339 CA LEU A 26 2.791 0.000 4.868 1.00 0.00 C ATOM 340 C LEU A 26 2.965 1.029 3.747 1.00 0.00 C ATOM 341 O LEU A 26 3.837 0.894 2.893 1.00 0.00 O ATOM 342 CB LEU A 26 1.456 -0.729 4.704 1.00 0.00 C ATOM 343 CG LEU A 26 1.209 -1.866 5.719 1.00 0.00 C ATOM 344 CD1 LEU A 26 1.023 -3.208 5.015 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.350 -1.954 6.725 1.00 0.00 C ATOM 0 H LEU A 26 2.006 0.499 6.748 1.00 0.00 H new ATOM 0 HA LEU A 26 3.615 -0.710 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.648 -0.002 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.406 -1.143 3.697 1.00 0.00 H new ATOM 0 HG LEU A 26 0.289 -1.632 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.851 -3.988 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.166 -3.151 4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.919 -3.445 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.153 -2.762 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.284 -2.151 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.430 -1.012 7.267 1.00 0.00 H new ATOM 357 N ALA A 27 2.115 2.059 3.763 1.00 0.00 N ATOM 358 CA ALA A 27 2.162 3.103 2.759 1.00 0.00 C ATOM 359 C ALA A 27 3.512 3.804 2.806 1.00 0.00 C ATOM 360 O ALA A 27 4.169 3.959 1.779 1.00 0.00 O ATOM 361 CB ALA A 27 1.029 4.094 3.005 1.00 0.00 C ATOM 0 H ALA A 27 1.387 2.184 4.466 1.00 0.00 H new ATOM 0 HA ALA A 27 2.037 2.666 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.063 4.880 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.072 3.575 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.141 4.536 3.995 1.00 0.00 H new ATOM 367 N ARG A 28 3.925 4.226 4.003 1.00 0.00 N ATOM 368 CA ARG A 28 5.191 4.908 4.178 1.00 0.00 C ATOM 369 C ARG A 28 6.335 3.978 3.799 1.00 0.00 C ATOM 370 O ARG A 28 7.390 4.433 3.365 1.00 0.00 O ATOM 371 CB ARG A 28 5.326 5.365 5.627 1.00 0.00 C ATOM 372 CG ARG A 28 4.747 6.769 5.774 1.00 0.00 C ATOM 373 CD ARG A 28 5.850 7.733 6.198 1.00 0.00 C ATOM 374 NE ARG A 28 6.446 8.393 5.037 1.00 0.00 N ATOM 375 CZ ARG A 28 7.067 9.578 5.114 1.00 0.00 C ATOM 376 NH1 ARG A 28 7.161 10.209 6.292 1.00 0.00 N ATOM 377 NH2 ARG A 28 7.593 10.133 4.013 1.00 0.00 N ATOM 0 H ARG A 28 3.392 4.102 4.864 1.00 0.00 H new ATOM 0 HA ARG A 28 5.229 5.783 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.803 4.674 6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.374 5.359 5.925 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.309 7.094 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.946 6.768 6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.442 8.482 6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.620 7.191 6.747 1.00 0.00 H new ATOM 0 HE ARG A 28 6.386 7.931 4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.760 9.787 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.634 11.111 6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.521 9.653 3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.065 11.035 4.072 1.00 0.00 H new ATOM 391 N PHE A 29 6.121 2.670 3.963 1.00 0.00 N ATOM 392 CA PHE A 29 7.133 1.686 3.636 1.00 0.00 C ATOM 393 C PHE A 29 7.349 1.646 2.129 1.00 0.00 C ATOM 394 O PHE A 29 8.485 1.595 1.663 1.00 0.00 O ATOM 395 CB PHE A 29 6.698 0.319 4.157 1.00 0.00 C ATOM 396 CG PHE A 29 7.559 -0.819 3.659 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.951 -0.754 3.795 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.965 -1.935 3.060 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.749 -1.807 3.331 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.763 -2.988 2.596 1.00 0.00 C ATOM 401 CZ PHE A 29 9.155 -2.923 2.733 1.00 0.00 C ATOM 0 H PHE A 29 5.251 2.276 4.322 1.00 0.00 H new ATOM 0 HA PHE A 29 8.076 1.958 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.720 0.331 5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.665 0.138 3.861 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.409 0.108 4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.891 -1.984 2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.823 -1.757 3.435 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.305 -3.850 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.771 -3.736 2.376 1.00 0.00 H new ATOM 411 N ALA A 30 6.252 1.669 1.368 1.00 0.00 N ATOM 412 CA ALA A 30 6.325 1.635 -0.079 1.00 0.00 C ATOM 413 C ALA A 30 7.221 2.760 -0.577 1.00 0.00 C ATOM 414 O ALA A 30 8.289 2.507 -1.131 1.00 0.00 O ATOM 415 CB ALA A 30 4.920 1.763 -0.661 1.00 0.00 C ATOM 0 H ALA A 30 5.303 1.711 1.740 1.00 0.00 H new ATOM 0 HA ALA A 30 6.753 0.687 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.973 1.738 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.303 0.936 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.478 2.707 -0.341 1.00 0.00 H new ATOM 421 N VAL A 31 6.783 4.006 -0.378 1.00 0.00 N ATOM 422 CA VAL A 31 7.545 5.161 -0.807 1.00 0.00 C ATOM 423 C VAL A 31 9.010 4.977 -0.441 1.00 0.00 C ATOM 424 O VAL A 31 9.895 5.405 -1.178 1.00 0.00 O ATOM 425 CB VAL A 31 6.976 6.416 -0.148 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.518 7.653 -0.860 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.454 6.397 -0.248 1.00 0.00 C ATOM 0 H VAL A 31 5.900 4.232 0.080 1.00 0.00 H new ATOM 0 HA VAL A 31 7.473 5.269 -1.889 1.00 0.00 H new ATOM 0 HB VAL A 31 7.270 6.442 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.113 8.550 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.606 7.666 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.223 7.628 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.047 7.292 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.159 6.372 -1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.067 5.513 0.259 1.00 0.00 H new ATOM 437 N THR A 32 9.266 4.335 0.702 1.00 0.00 N ATOM 438 CA THR A 32 10.622 4.099 1.154 1.00 0.00 C ATOM 439 C THR A 32 11.290 3.058 0.268 1.00 0.00 C ATOM 440 O THR A 32 12.192 3.378 -0.503 1.00 0.00 O ATOM 441 CB THR A 32 10.598 3.635 2.608 1.00 0.00 C ATOM 442 OG1 THR A 32 10.125 4.681 3.427 1.00 0.00 O ATOM 443 CG2 THR A 32 12.009 3.247 3.042 1.00 0.00 C ATOM 0 H THR A 32 8.545 3.973 1.326 1.00 0.00 H new ATOM 0 HA THR A 32 11.196 5.023 1.089 1.00 0.00 H new ATOM 0 HB THR A 32 9.939 2.772 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.161 4.574 3.570 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.992 2.916 4.080 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.375 2.439 2.409 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.669 4.109 2.947 1.00 0.00 H new ATOM 451 N GLU A 33 10.844 1.804 0.379 1.00 0.00 N ATOM 452 CA GLU A 33 11.399 0.725 -0.412 1.00 0.00 C ATOM 453 C GLU A 33 11.617 1.189 -1.845 1.00 0.00 C ATOM 454 O GLU A 33 12.702 1.003 -2.396 1.00 0.00 O ATOM 455 CB GLU A 33 10.454 -0.473 -0.370 1.00 0.00 C ATOM 456 CG GLU A 33 11.052 -1.622 -1.174 1.00 0.00 C ATOM 457 CD GLU A 33 11.201 -2.868 -0.314 1.00 0.00 C ATOM 458 OE1 GLU A 33 12.082 -2.844 0.572 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.432 -3.823 -0.558 1.00 0.00 O ATOM 0 H GLU A 33 10.098 1.520 1.013 1.00 0.00 H new ATOM 0 HA GLU A 33 12.363 0.428 0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.290 -0.784 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.482 -0.197 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.415 -1.841 -2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.025 -1.328 -1.567 1.00 0.00 H new ATOM 466 N HIS A 34 10.583 1.793 -2.441 1.00 0.00 N ATOM 467 CA HIS A 34 10.652 2.304 -3.812 1.00 0.00 C ATOM 468 C HIS A 34 11.767 3.358 -3.938 1.00 0.00 C ATOM 469 O HIS A 34 12.607 3.248 -4.828 1.00 0.00 O ATOM 470 CB HIS A 34 9.296 2.883 -4.233 1.00 0.00 C ATOM 471 CG HIS A 34 9.194 3.133 -5.707 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.069 3.698 -6.573 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.091 2.778 -6.455 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.482 3.674 -7.815 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.291 3.112 -7.718 1.00 0.00 N flip ATOM 0 H HIS A 34 9.681 1.940 -1.989 1.00 0.00 H new ATOM 0 HA HIS A 34 10.892 1.479 -4.482 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.505 2.196 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.126 3.818 -3.700 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.202 2.301 -6.069 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.924 4.054 -8.724 1.00 0.00 H new ATOM 0 HE2 HIS A 34 7.637 2.961 -8.486 1.00 0.00 H new ATOM 484 N ASN A 35 11.762 4.369 -3.065 1.00 0.00 N ATOM 485 CA ASN A 35 12.760 5.419 -3.109 1.00 0.00 C ATOM 486 C ASN A 35 14.142 4.833 -2.856 1.00 0.00 C ATOM 487 O ASN A 35 15.153 5.463 -3.156 1.00 0.00 O ATOM 488 CB ASN A 35 12.424 6.482 -2.066 1.00 0.00 C ATOM 489 CG ASN A 35 11.268 7.354 -2.533 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.374 6.881 -3.232 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.284 8.630 -2.140 1.00 0.00 N ATOM 0 H ASN A 35 11.072 4.475 -2.321 1.00 0.00 H new ATOM 0 HA ASN A 35 12.761 5.882 -4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.165 6.002 -1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.300 7.103 -1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.532 9.259 -2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.049 8.975 -1.560 1.00 0.00 H new ATOM 498 N LYS A 36 14.182 3.619 -2.301 1.00 0.00 N ATOM 499 CA LYS A 36 15.436 2.954 -2.011 1.00 0.00 C ATOM 500 C LYS A 36 16.116 2.542 -3.308 1.00 0.00 C ATOM 501 O LYS A 36 17.286 2.850 -3.526 1.00 0.00 O ATOM 502 CB LYS A 36 15.173 1.737 -1.128 1.00 0.00 C ATOM 503 CG LYS A 36 16.412 1.442 -0.288 1.00 0.00 C ATOM 504 CD LYS A 36 16.229 2.021 1.112 1.00 0.00 C ATOM 505 CE LYS A 36 15.981 0.888 2.103 1.00 0.00 C ATOM 506 NZ LYS A 36 15.185 1.353 3.250 1.00 0.00 N ATOM 0 H LYS A 36 13.353 3.083 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 36 16.099 3.637 -1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.317 1.923 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.924 0.873 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 36 16.577 0.366 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.295 1.874 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.115 2.585 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.391 2.717 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.461 0.071 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.934 0.492 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.324 0.707 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.489 2.310 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.178 1.370 2.990 1.00 0.00 H new ATOM 520 N LYS A 37 15.378 1.842 -4.173 1.00 0.00 N ATOM 521 CA LYS A 37 15.912 1.392 -5.443 1.00 0.00 C ATOM 522 C LYS A 37 15.669 2.449 -6.510 1.00 0.00 C ATOM 523 O LYS A 37 16.174 2.337 -7.626 1.00 0.00 O ATOM 524 CB LYS A 37 15.254 0.071 -5.831 1.00 0.00 C ATOM 525 CG LYS A 37 16.326 -0.917 -6.280 1.00 0.00 C ATOM 526 CD LYS A 37 15.819 -2.344 -6.081 1.00 0.00 C ATOM 527 CE LYS A 37 16.743 -3.318 -6.808 1.00 0.00 C ATOM 528 NZ LYS A 37 16.978 -4.523 -5.999 1.00 0.00 N ATOM 0 H LYS A 37 14.407 1.578 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 37 16.987 1.236 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.701 -0.335 -4.984 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.534 0.233 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.573 -0.750 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.241 -0.762 -5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.784 -2.584 -5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.802 -2.437 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.302 -3.598 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.693 -2.830 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.609 -5.170 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.420 -4.255 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.072 -4.998 -5.813 1.00 0.00 H new ATOM 542 N ALA A 38 14.892 3.478 -6.167 1.00 0.00 N ATOM 543 CA ALA A 38 14.585 4.549 -7.094 1.00 0.00 C ATOM 544 C ALA A 38 15.298 5.824 -6.665 1.00 0.00 C ATOM 545 O ALA A 38 14.953 6.913 -7.117 1.00 0.00 O ATOM 546 CB ALA A 38 13.075 4.763 -7.140 1.00 0.00 C ATOM 0 H ALA A 38 14.466 3.585 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 38 14.932 4.282 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.843 5.568 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.587 3.846 -7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.715 5.028 -6.146 1.00 0.00 H new ATOM 552 N ASN A 39 16.295 5.685 -5.788 1.00 0.00 N ATOM 553 CA ASN A 39 17.049 6.824 -5.304 1.00 0.00 C ATOM 554 C ASN A 39 16.101 7.962 -4.951 1.00 0.00 C ATOM 555 O ASN A 39 16.497 9.125 -4.945 1.00 0.00 O ATOM 556 CB ASN A 39 18.046 7.262 -6.373 1.00 0.00 C ATOM 557 CG ASN A 39 19.450 6.782 -6.036 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.825 6.726 -4.867 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.226 6.431 -7.064 1.00 0.00 N ATOM 0 H ASN A 39 16.593 4.789 -5.403 1.00 0.00 H new ATOM 0 HA ASN A 39 17.598 6.546 -4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.744 6.864 -7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.040 8.349 -6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.176 6.099 -6.896 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.869 6.495 -8.017 1.00 0.00 H new ATOM 566 N SER A 40 14.845 7.621 -4.656 1.00 0.00 N ATOM 567 CA SER A 40 13.848 8.612 -4.303 1.00 0.00 C ATOM 568 C SER A 40 13.415 9.375 -5.546 1.00 0.00 C ATOM 569 O SER A 40 14.180 9.490 -6.505 1.00 0.00 O ATOM 570 CB SER A 40 14.427 9.563 -3.258 1.00 0.00 C ATOM 571 OG SER A 40 15.247 8.841 -2.368 1.00 0.00 O ATOM 0 H SER A 40 14.501 6.661 -4.657 1.00 0.00 H new ATOM 0 HA SER A 40 12.972 8.119 -3.882 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.005 10.348 -3.746 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.622 10.053 -2.711 1.00 0.00 H new ATOM 0 HG SER A 40 15.620 9.452 -1.698 1.00 0.00 H new ATOM 577 N LEU A 41 12.188 9.896 -5.529 1.00 0.00 N ATOM 578 CA LEU A 41 11.640 10.643 -6.661 1.00 0.00 C ATOM 579 C LEU A 41 10.465 11.533 -6.245 1.00 0.00 C ATOM 580 O LEU A 41 10.082 12.454 -6.966 1.00 0.00 O ATOM 581 CB LEU A 41 11.195 9.668 -7.754 1.00 0.00 C ATOM 582 CG LEU A 41 9.717 9.234 -7.672 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.252 8.597 -8.979 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.494 8.272 -6.511 1.00 0.00 C ATOM 0 H LEU A 41 11.551 9.813 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 41 12.426 11.295 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.370 10.129 -8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.823 8.779 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 41 9.123 10.132 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.207 8.302 -8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.357 9.316 -9.792 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.860 7.717 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.444 7.982 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.111 7.385 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.767 8.761 -5.576 1.00 0.00 H new ATOM 596 N LEU A 42 9.898 11.240 -5.075 1.00 0.00 N ATOM 597 CA LEU A 42 8.754 11.990 -4.552 1.00 0.00 C ATOM 598 C LEU A 42 8.919 12.321 -3.067 1.00 0.00 C ATOM 599 O LEU A 42 9.938 12.009 -2.455 1.00 0.00 O ATOM 600 CB LEU A 42 7.471 11.184 -4.769 1.00 0.00 C ATOM 601 CG LEU A 42 7.441 9.810 -4.068 1.00 0.00 C ATOM 602 CD1 LEU A 42 6.871 9.919 -2.656 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.640 8.801 -4.881 1.00 0.00 C ATOM 0 H LEU A 42 10.214 10.484 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 42 8.696 12.934 -5.093 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.625 11.774 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.331 11.033 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 42 8.470 9.459 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.864 8.934 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.489 10.595 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.853 10.306 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.634 7.841 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.616 9.157 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.096 8.682 -5.864 1.00 0.00 H new ATOM 615 N GLU A 43 7.898 12.965 -2.495 1.00 0.00 N ATOM 616 CA GLU A 43 7.923 13.343 -1.097 1.00 0.00 C ATOM 617 C GLU A 43 6.555 13.113 -0.472 1.00 0.00 C ATOM 618 O GLU A 43 5.705 14.000 -0.482 1.00 0.00 O ATOM 619 CB GLU A 43 8.334 14.808 -0.975 1.00 0.00 C ATOM 620 CG GLU A 43 8.579 15.148 0.492 1.00 0.00 C ATOM 621 CD GLU A 43 10.020 15.583 0.714 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.916 14.832 0.272 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.200 16.659 1.325 1.00 0.00 O ATOM 0 H GLU A 43 7.046 13.232 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 43 8.649 12.729 -0.565 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.236 14.993 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.554 15.451 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.902 15.944 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.357 14.280 1.113 1.00 0.00 H new ATOM 630 N PHE A 44 6.344 11.914 0.077 1.00 0.00 N ATOM 631 CA PHE A 44 5.083 11.572 0.704 1.00 0.00 C ATOM 632 C PHE A 44 4.600 12.737 1.559 1.00 0.00 C ATOM 633 O PHE A 44 5.367 13.299 2.337 1.00 0.00 O ATOM 634 CB PHE A 44 5.261 10.316 1.551 1.00 0.00 C ATOM 635 CG PHE A 44 4.058 9.989 2.403 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.896 10.604 3.651 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.108 9.067 1.948 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.782 10.299 4.442 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.994 8.762 2.740 1.00 0.00 C ATOM 640 CZ PHE A 44 1.831 9.378 3.987 1.00 0.00 C ATOM 0 H PHE A 44 7.039 11.167 0.095 1.00 0.00 H new ATOM 0 HA PHE A 44 4.333 11.374 -0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.472 9.472 0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.130 10.443 2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.630 11.313 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.234 8.591 0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.656 10.774 5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.260 8.051 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.972 9.143 4.598 1.00 0.00 H new ATOM 650 N GLU A 45 3.323 13.096 1.412 1.00 0.00 N ATOM 651 CA GLU A 45 2.747 14.188 2.170 1.00 0.00 C ATOM 652 C GLU A 45 1.944 13.640 3.342 1.00 0.00 C ATOM 653 O GLU A 45 2.099 14.095 4.473 1.00 0.00 O ATOM 654 CB GLU A 45 1.863 15.031 1.256 1.00 0.00 C ATOM 655 CG GLU A 45 0.920 15.882 2.103 1.00 0.00 C ATOM 656 CD GLU A 45 0.904 17.323 1.613 1.00 0.00 C ATOM 657 OE1 GLU A 45 1.743 18.103 2.115 1.00 0.00 O ATOM 658 OE2 GLU A 45 0.053 17.618 0.747 1.00 0.00 O ATOM 0 H GLU A 45 2.674 12.640 0.771 1.00 0.00 H new ATOM 0 HA GLU A 45 3.543 14.818 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.480 15.671 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.289 14.386 0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.087 15.468 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.234 15.852 3.146 1.00 0.00 H new ATOM 665 N LYS A 46 1.083 12.656 3.067 1.00 0.00 N ATOM 666 CA LYS A 46 0.263 12.051 4.096 1.00 0.00 C ATOM 667 C LYS A 46 -0.532 10.893 3.510 1.00 0.00 C ATOM 668 O LYS A 46 -0.348 10.537 2.346 1.00 0.00 O ATOM 669 CB LYS A 46 -0.672 13.104 4.684 1.00 0.00 C ATOM 670 CG LYS A 46 -1.701 13.515 3.634 1.00 0.00 C ATOM 671 CD LYS A 46 -2.747 14.424 4.274 1.00 0.00 C ATOM 672 CE LYS A 46 -4.107 14.164 3.633 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.425 15.196 2.634 1.00 0.00 N ATOM 0 H LYS A 46 0.943 12.267 2.135 1.00 0.00 H new ATOM 0 HA LYS A 46 0.900 11.663 4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.175 12.707 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.100 13.973 5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.209 14.033 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.180 12.631 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.797 14.239 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.465 15.469 4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.108 13.182 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.879 14.148 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.355 14.997 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.446 16.129 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.699 15.193 1.889 1.00 0.00 H new ATOM 687 N LEU A 47 -1.415 10.306 4.318 1.00 0.00 N ATOM 688 CA LEU A 47 -2.236 9.175 3.888 1.00 0.00 C ATOM 689 C LEU A 47 -3.730 9.511 3.908 1.00 0.00 C ATOM 690 O LEU A 47 -4.197 10.278 4.746 1.00 0.00 O ATOM 691 CB LEU A 47 -1.962 7.969 4.790 1.00 0.00 C ATOM 692 CG LEU A 47 -3.101 6.929 4.848 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.068 6.003 3.636 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.030 6.114 6.134 1.00 0.00 C ATOM 0 H LEU A 47 -1.580 10.598 5.281 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.966 8.940 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.055 7.474 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.765 8.327 5.800 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.044 7.476 4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.883 5.282 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.182 6.591 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.116 5.473 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.843 5.389 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.075 5.590 6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.120 6.780 6.992 1.00 0.00 H new ATOM 706 N VAL A 48 -4.473 8.926 2.965 1.00 0.00 N ATOM 707 CA VAL A 48 -5.900 9.159 2.863 1.00 0.00 C ATOM 708 C VAL A 48 -6.656 8.016 3.526 1.00 0.00 C ATOM 709 O VAL A 48 -7.305 8.212 4.551 1.00 0.00 O ATOM 710 CB VAL A 48 -6.289 9.284 1.393 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.558 10.125 1.272 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.157 9.957 0.623 1.00 0.00 C ATOM 0 H VAL A 48 -4.100 8.287 2.263 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.160 10.086 3.374 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.470 8.292 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.836 10.215 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.367 9.644 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.378 11.117 1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.434 10.047 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.975 10.949 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.251 9.357 0.709 1.00 0.00 H new ATOM 722 N SER A 49 -6.571 6.821 2.938 1.00 0.00 N ATOM 723 CA SER A 49 -7.244 5.656 3.475 1.00 0.00 C ATOM 724 C SER A 49 -6.535 4.391 3.016 1.00 0.00 C ATOM 725 O SER A 49 -5.485 4.460 2.381 1.00 0.00 O ATOM 726 CB SER A 49 -8.701 5.656 3.018 1.00 0.00 C ATOM 727 OG SER A 49 -9.489 6.349 3.960 1.00 0.00 O ATOM 0 H SER A 49 -6.038 6.643 2.087 1.00 0.00 H new ATOM 0 HA SER A 49 -7.218 5.687 4.564 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.786 6.128 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.060 4.632 2.911 1.00 0.00 H new ATOM 0 HG SER A 49 -8.943 7.031 4.405 1.00 0.00 H new ATOM 733 N VAL A 50 -7.112 3.231 3.340 1.00 0.00 N ATOM 734 CA VAL A 50 -6.535 1.957 2.960 1.00 0.00 C ATOM 735 C VAL A 50 -7.602 0.873 3.012 1.00 0.00 C ATOM 736 O VAL A 50 -8.615 1.027 3.692 1.00 0.00 O ATOM 737 CB VAL A 50 -5.379 1.623 3.898 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.810 1.861 5.342 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.985 0.160 3.719 1.00 0.00 C ATOM 0 H VAL A 50 -7.982 3.157 3.867 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.153 2.015 1.941 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.526 2.260 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.984 1.622 6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.091 2.906 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.663 1.225 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.159 -0.079 4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.838 -0.478 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.676 -0.010 2.688 1.00 0.00 H new ATOM 749 N LYS A 51 -7.374 -0.227 2.291 1.00 0.00 N ATOM 750 CA LYS A 51 -8.314 -1.328 2.260 1.00 0.00 C ATOM 751 C LYS A 51 -7.633 -2.606 2.730 1.00 0.00 C ATOM 752 O LYS A 51 -6.459 -2.590 3.092 1.00 0.00 O ATOM 753 CB LYS A 51 -8.855 -1.496 0.842 1.00 0.00 C ATOM 754 CG LYS A 51 -9.809 -0.348 0.524 1.00 0.00 C ATOM 755 CD LYS A 51 -11.054 -0.897 -0.166 1.00 0.00 C ATOM 756 CE LYS A 51 -11.859 0.255 -0.759 1.00 0.00 C ATOM 757 NZ LYS A 51 -13.177 -0.204 -1.224 1.00 0.00 N ATOM 0 H LYS A 51 -6.540 -0.370 1.722 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.146 -1.116 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.033 -1.509 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.373 -2.450 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.088 0.172 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.316 0.381 -0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.768 -1.597 -0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.664 -1.451 0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.986 1.037 -0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.310 0.696 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.815 0.612 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.076 -0.674 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.574 -0.875 -0.536 1.00 0.00 H new ATOM 771 N GLN A 52 -8.374 -3.716 2.724 1.00 0.00 N ATOM 772 CA GLN A 52 -7.841 -4.994 3.149 1.00 0.00 C ATOM 773 C GLN A 52 -8.377 -6.101 2.254 1.00 0.00 C ATOM 774 O GLN A 52 -9.586 -6.218 2.062 1.00 0.00 O ATOM 775 CB GLN A 52 -8.223 -5.243 4.606 1.00 0.00 C ATOM 776 CG GLN A 52 -9.732 -5.091 4.770 1.00 0.00 C ATOM 777 CD GLN A 52 -10.150 -5.341 6.212 1.00 0.00 C ATOM 778 OE1 GLN A 52 -11.148 -4.794 6.675 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.381 -6.170 6.922 1.00 0.00 N ATOM 0 H GLN A 52 -9.349 -3.746 2.426 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.754 -4.984 3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.913 -6.243 4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.703 -4.538 5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.035 -4.089 4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.246 -5.792 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.562 -6.600 6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.613 -6.373 7.894 1.00 0.00 H new ATOM 788 N GLN A 53 -7.473 -6.917 1.706 1.00 0.00 N ATOM 789 CA GLN A 53 -7.858 -8.009 0.836 1.00 0.00 C ATOM 790 C GLN A 53 -7.349 -9.327 1.402 1.00 0.00 C ATOM 791 O GLN A 53 -6.213 -9.408 1.865 1.00 0.00 O ATOM 792 CB GLN A 53 -7.294 -7.767 -0.562 1.00 0.00 C ATOM 793 CG GLN A 53 -7.670 -8.932 -1.472 1.00 0.00 C ATOM 794 CD GLN A 53 -6.791 -8.956 -2.715 1.00 0.00 C ATOM 795 OE1 GLN A 53 -5.577 -9.108 -2.616 1.00 0.00 O ATOM 796 NE2 GLN A 53 -7.411 -8.803 -3.889 1.00 0.00 N ATOM 0 H GLN A 53 -6.468 -6.834 1.856 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.945 -8.061 0.772 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.686 -6.834 -0.967 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.210 -7.664 -0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.565 -9.871 -0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.717 -8.848 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.423 -8.680 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.872 -8.809 -4.755 1.00 0.00 H new ATOM 805 N VAL A 54 -8.193 -10.361 1.363 1.00 0.00 N ATOM 806 CA VAL A 54 -7.824 -11.668 1.871 1.00 0.00 C ATOM 807 C VAL A 54 -7.628 -12.633 0.711 1.00 0.00 C ATOM 808 O VAL A 54 -8.540 -12.845 -0.085 1.00 0.00 O ATOM 809 CB VAL A 54 -8.912 -12.170 2.815 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.278 -12.001 2.154 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.677 -13.646 3.124 1.00 0.00 C ATOM 0 H VAL A 54 -9.138 -10.310 0.982 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.887 -11.599 2.423 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.882 -11.595 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.055 -12.360 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.447 -10.947 1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.308 -12.575 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.454 -14.005 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.706 -14.221 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.702 -13.768 3.596 1.00 0.00 H new ATOM 821 N VAL A 55 -6.433 -13.222 0.617 1.00 0.00 N ATOM 822 CA VAL A 55 -6.123 -14.160 -0.442 1.00 0.00 C ATOM 823 C VAL A 55 -5.051 -15.133 0.030 1.00 0.00 C ATOM 824 O VAL A 55 -5.273 -15.897 0.968 1.00 0.00 O ATOM 825 CB VAL A 55 -5.654 -13.397 -1.677 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.730 -12.401 -2.099 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.366 -12.645 -1.351 1.00 0.00 C ATOM 0 H VAL A 55 -5.667 -13.058 1.270 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.015 -14.730 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.470 -14.100 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.395 -11.856 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.651 -12.936 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.914 -11.698 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.030 -12.099 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.551 -11.943 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.596 -13.355 -1.049 1.00 0.00 H new ATOM 837 N ALA A 56 -3.887 -15.104 -0.622 1.00 0.00 N ATOM 838 CA ALA A 56 -2.790 -15.982 -0.267 1.00 0.00 C ATOM 839 C ALA A 56 -2.065 -15.433 0.953 1.00 0.00 C ATOM 840 O ALA A 56 -0.949 -15.850 1.255 1.00 0.00 O ATOM 841 CB ALA A 56 -1.837 -16.106 -1.452 1.00 0.00 C ATOM 0 H ALA A 56 -3.687 -14.476 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.175 -16.972 -0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.011 -16.766 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.372 -16.519 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.446 -15.121 -1.709 1.00 0.00 H new ATOM 847 N GLY A 57 -2.704 -14.494 1.656 1.00 0.00 N ATOM 848 CA GLY A 57 -2.114 -13.896 2.837 1.00 0.00 C ATOM 849 C GLY A 57 -2.955 -12.717 3.306 1.00 0.00 C ATOM 850 O GLY A 57 -4.174 -12.822 3.416 1.00 0.00 O ATOM 0 H GLY A 57 -3.630 -14.137 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.041 -14.639 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.100 -13.564 2.617 1.00 0.00 H new ATOM 854 N THR A 58 -2.297 -11.589 3.584 1.00 0.00 N ATOM 855 CA THR A 58 -2.986 -10.398 4.039 1.00 0.00 C ATOM 856 C THR A 58 -2.511 -9.189 3.245 1.00 0.00 C ATOM 857 O THR A 58 -1.400 -8.702 3.457 1.00 0.00 O ATOM 858 CB THR A 58 -2.729 -10.201 5.531 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.341 -11.245 6.254 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.313 -8.863 5.975 1.00 0.00 C ATOM 0 H THR A 58 -1.286 -11.484 3.499 1.00 0.00 H new ATOM 0 HA THR A 58 -4.058 -10.512 3.880 1.00 0.00 H new ATOM 0 HB THR A 58 -1.656 -10.209 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.175 -11.121 7.212 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.130 -8.722 7.040 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.840 -8.056 5.415 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.387 -8.854 5.787 1.00 0.00 H new ATOM 868 N LEU A 59 -3.356 -8.706 2.334 1.00 0.00 N ATOM 869 CA LEU A 59 -3.023 -7.556 1.493 1.00 0.00 C ATOM 870 C LEU A 59 -3.805 -6.304 1.903 1.00 0.00 C ATOM 871 O LEU A 59 -4.945 -6.386 2.353 1.00 0.00 O ATOM 872 CB LEU A 59 -3.308 -7.892 0.027 1.00 0.00 C ATOM 873 CG LEU A 59 -2.581 -6.995 -0.996 1.00 0.00 C ATOM 874 CD1 LEU A 59 -1.352 -6.333 -0.379 1.00 0.00 C ATOM 875 CD2 LEU A 59 -2.182 -7.792 -2.233 1.00 0.00 C ATOM 0 H LEU A 59 -4.282 -9.096 2.159 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.963 -7.340 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.026 -8.929 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.382 -7.819 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.277 -6.211 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.862 -5.708 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.657 -5.717 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.658 -7.101 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.671 -7.137 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.515 -8.604 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.074 -8.206 -2.703 1.00 0.00 H new ATOM 887 N TYR A 60 -3.170 -5.141 1.741 1.00 0.00 N ATOM 888 CA TYR A 60 -3.789 -3.879 2.094 1.00 0.00 C ATOM 889 C TYR A 60 -3.540 -2.857 0.995 1.00 0.00 C ATOM 890 O TYR A 60 -2.399 -2.636 0.595 1.00 0.00 O ATOM 891 CB TYR A 60 -3.223 -3.391 3.425 1.00 0.00 C ATOM 892 CG TYR A 60 -3.937 -3.959 4.628 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.589 -5.224 5.116 1.00 0.00 C ATOM 894 CD2 TYR A 60 -4.946 -3.219 5.257 1.00 0.00 C ATOM 895 CE1 TYR A 60 -4.251 -5.751 6.231 1.00 0.00 C ATOM 896 CE2 TYR A 60 -5.608 -3.745 6.373 1.00 0.00 C ATOM 897 CZ TYR A 60 -5.260 -5.011 6.860 1.00 0.00 C ATOM 898 OH TYR A 60 -5.904 -5.524 7.947 1.00 0.00 O ATOM 0 H TYR A 60 -2.225 -5.056 1.366 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.865 -4.014 2.199 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.167 -3.656 3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.281 -2.303 3.458 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.809 -5.794 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.214 -2.242 4.881 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.984 -6.728 6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.386 -3.175 6.858 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.574 -4.883 8.263 1.00 0.00 H new ATOM 908 N TYR A 61 -4.613 -2.232 0.505 1.00 0.00 N ATOM 909 CA TYR A 61 -4.505 -1.239 -0.545 1.00 0.00 C ATOM 910 C TYR A 61 -4.569 0.157 0.056 1.00 0.00 C ATOM 911 O TYR A 61 -5.654 0.689 0.283 1.00 0.00 O ATOM 912 CB TYR A 61 -5.630 -1.446 -1.555 1.00 0.00 C ATOM 913 CG TYR A 61 -5.619 -2.812 -2.201 1.00 0.00 C ATOM 914 CD1 TYR A 61 -5.659 -3.962 -1.404 1.00 0.00 C ATOM 915 CD2 TYR A 61 -5.567 -2.926 -3.595 1.00 0.00 C ATOM 916 CE1 TYR A 61 -5.650 -5.228 -2.001 1.00 0.00 C ATOM 917 CE2 TYR A 61 -5.556 -4.193 -4.192 1.00 0.00 C ATOM 918 CZ TYR A 61 -5.597 -5.343 -3.396 1.00 0.00 C ATOM 919 OH TYR A 61 -5.588 -6.577 -3.978 1.00 0.00 O ATOM 0 H TYR A 61 -5.566 -2.403 0.826 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.549 -1.347 -1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.587 -1.297 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.554 -0.685 -2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -5.697 -3.872 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.535 -2.038 -4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.684 -6.115 -1.387 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.516 -4.282 -5.268 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.033 -7.185 -3.447 1.00 0.00 H new ATOM 929 N PHE A 62 -3.402 0.751 0.314 1.00 0.00 N ATOM 930 CA PHE A 62 -3.332 2.081 0.885 1.00 0.00 C ATOM 931 C PHE A 62 -3.440 3.125 -0.218 1.00 0.00 C ATOM 932 O PHE A 62 -2.875 2.954 -1.295 1.00 0.00 O ATOM 933 CB PHE A 62 -2.022 2.236 1.650 1.00 0.00 C ATOM 934 CG PHE A 62 -1.843 1.221 2.754 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.351 -0.056 2.459 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.169 1.556 4.074 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.184 -0.997 3.482 1.00 0.00 C ATOM 938 CE2 PHE A 62 -2.003 0.616 5.097 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.511 -0.661 4.801 1.00 0.00 C ATOM 0 H PHE A 62 -2.494 0.323 0.133 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.162 2.227 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.190 2.150 0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.977 3.238 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.100 -0.316 1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.549 2.541 4.303 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.803 -1.981 3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.254 0.875 6.115 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.384 -1.387 5.590 1.00 0.00 H new ATOM 949 N THR A 63 -4.171 4.208 0.055 1.00 0.00 N ATOM 950 CA THR A 63 -4.346 5.270 -0.915 1.00 0.00 C ATOM 951 C THR A 63 -3.860 6.590 -0.333 1.00 0.00 C ATOM 952 O THR A 63 -4.659 7.401 0.131 1.00 0.00 O ATOM 953 CB THR A 63 -5.818 5.363 -1.306 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.493 4.204 -0.871 1.00 0.00 O ATOM 955 CG2 THR A 63 -5.936 5.480 -2.823 1.00 0.00 C ATOM 0 H THR A 63 -4.648 4.365 0.943 1.00 0.00 H new ATOM 0 HA THR A 63 -3.758 5.051 -1.806 1.00 0.00 H new ATOM 0 HB THR A 63 -6.263 6.241 -0.838 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.439 4.263 -1.120 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.988 5.546 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.414 6.375 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.491 4.602 -3.291 1.00 0.00 H new ATOM 963 N ILE A 64 -2.542 6.803 -0.359 1.00 0.00 N ATOM 964 CA ILE A 64 -1.952 8.020 0.162 1.00 0.00 C ATOM 965 C ILE A 64 -1.631 8.968 -0.984 1.00 0.00 C ATOM 966 O ILE A 64 -1.902 8.660 -2.143 1.00 0.00 O ATOM 967 CB ILE A 64 -0.691 7.676 0.950 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.493 7.563 -0.005 1.00 0.00 C ATOM 969 CG2 ILE A 64 -0.891 6.347 1.674 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.237 6.433 -0.999 1.00 0.00 C ATOM 0 H ILE A 64 -1.867 6.139 -0.739 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.657 8.515 0.830 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.493 8.461 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.637 8.504 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.408 7.370 0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.009 6.100 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.736 6.429 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.089 5.562 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.082 6.351 -1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.115 5.494 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.669 6.646 -1.567 1.00 0.00 H new ATOM 982 N GLU A 65 -1.051 10.126 -0.660 1.00 0.00 N ATOM 983 CA GLU A 65 -0.696 11.109 -1.664 1.00 0.00 C ATOM 984 C GLU A 65 0.711 11.628 -1.409 1.00 0.00 C ATOM 985 O GLU A 65 1.095 11.855 -0.263 1.00 0.00 O ATOM 986 CB GLU A 65 -1.708 12.251 -1.636 1.00 0.00 C ATOM 987 CG GLU A 65 -1.191 13.411 -2.483 1.00 0.00 C ATOM 988 CD GLU A 65 -1.941 14.694 -2.163 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.126 14.959 -0.955 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.319 15.387 -3.132 1.00 0.00 O ATOM 0 H GLU A 65 -0.820 10.399 0.295 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.715 10.647 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.670 11.908 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.872 12.581 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.126 13.553 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.305 13.173 -3.541 1.00 0.00 H new ATOM 997 N VAL A 66 1.482 11.817 -2.482 1.00 0.00 N ATOM 998 CA VAL A 66 2.841 12.308 -2.372 1.00 0.00 C ATOM 999 C VAL A 66 3.123 13.299 -3.493 1.00 0.00 C ATOM 1000 O VAL A 66 2.654 13.120 -4.615 1.00 0.00 O ATOM 1001 CB VAL A 66 3.812 11.134 -2.432 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.169 9.908 -1.790 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.151 10.827 -3.888 1.00 0.00 C ATOM 0 H VAL A 66 1.178 11.634 -3.438 1.00 0.00 H new ATOM 0 HA VAL A 66 2.971 12.821 -1.419 1.00 0.00 H new ATOM 0 HB VAL A 66 4.724 11.390 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.863 9.069 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.928 10.126 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.256 9.652 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.845 9.988 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.239 10.572 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.611 11.702 -4.347 1.00 0.00 H new ATOM 1013 N LYS A 67 3.891 14.346 -3.188 1.00 0.00 N ATOM 1014 CA LYS A 67 4.230 15.357 -4.169 1.00 0.00 C ATOM 1015 C LYS A 67 5.558 15.012 -4.830 1.00 0.00 C ATOM 1016 O LYS A 67 6.584 14.920 -4.160 1.00 0.00 O ATOM 1017 CB LYS A 67 4.304 16.720 -3.490 1.00 0.00 C ATOM 1018 CG LYS A 67 5.525 16.769 -2.576 1.00 0.00 C ATOM 1019 CD LYS A 67 5.182 17.542 -1.306 1.00 0.00 C ATOM 1020 CE LYS A 67 6.354 18.442 -0.926 1.00 0.00 C ATOM 1021 NZ LYS A 67 5.884 19.684 -0.294 1.00 0.00 N ATOM 0 H LYS A 67 4.288 14.509 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 67 3.461 15.391 -4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.366 17.509 -4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.397 16.900 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.844 15.758 -2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.359 17.247 -3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.285 18.142 -1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.963 16.849 -0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.018 17.911 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.937 18.681 -1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.701 20.278 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.270 20.200 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.348 19.454 0.567 1.00 0.00 H new ATOM 1035 N GLU A 68 5.535 14.820 -6.152 1.00 0.00 N ATOM 1036 CA GLU A 68 6.734 14.488 -6.894 1.00 0.00 C ATOM 1037 C GLU A 68 7.550 15.746 -7.152 1.00 0.00 C ATOM 1038 O GLU A 68 7.306 16.785 -6.544 1.00 0.00 O ATOM 1039 CB GLU A 68 6.346 13.815 -8.208 1.00 0.00 C ATOM 1040 CG GLU A 68 7.519 12.985 -8.720 1.00 0.00 C ATOM 1041 CD GLU A 68 7.495 12.888 -10.239 1.00 0.00 C ATOM 1042 OE1 GLU A 68 8.084 13.789 -10.875 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.887 11.916 -10.737 1.00 0.00 O ATOM 0 H GLU A 68 4.693 14.891 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 68 7.346 13.798 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.474 13.178 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.069 14.567 -8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.457 13.435 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.478 11.985 -8.287 1.00 0.00 H new ATOM 1050 N GLY A 69 8.526 15.648 -8.059 1.00 0.00 N ATOM 1051 CA GLY A 69 9.371 16.778 -8.392 1.00 0.00 C ATOM 1052 C GLY A 69 8.581 18.075 -8.293 1.00 0.00 C ATOM 1053 O GLY A 69 8.667 18.785 -7.294 1.00 0.00 O ATOM 0 H GLY A 69 8.744 14.793 -8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.226 16.813 -7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.766 16.661 -9.401 1.00 0.00 H new ATOM 1057 N ASP A 70 7.807 18.383 -9.337 1.00 0.00 N ATOM 1058 CA ASP A 70 7.007 19.591 -9.365 1.00 0.00 C ATOM 1059 C ASP A 70 5.536 19.231 -9.513 1.00 0.00 C ATOM 1060 O ASP A 70 4.791 19.928 -10.198 1.00 0.00 O ATOM 1061 CB ASP A 70 7.466 20.477 -10.520 1.00 0.00 C ATOM 1062 CG ASP A 70 8.672 21.315 -10.115 1.00 0.00 C ATOM 1063 OD1 ASP A 70 8.452 22.314 -9.397 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.788 20.941 -10.533 1.00 0.00 O ATOM 0 H ASP A 70 7.723 17.804 -10.173 1.00 0.00 H new ATOM 0 HA ASP A 70 7.134 20.139 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.721 19.858 -11.380 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.650 21.131 -10.828 1.00 0.00 H new ATOM 1069 N ALA A 71 5.118 18.139 -8.870 1.00 0.00 N ATOM 1070 CA ALA A 71 3.742 17.692 -8.934 1.00 0.00 C ATOM 1071 C ALA A 71 3.365 16.993 -7.637 1.00 0.00 C ATOM 1072 O ALA A 71 4.116 17.036 -6.665 1.00 0.00 O ATOM 1073 CB ALA A 71 3.568 16.752 -10.125 1.00 0.00 C ATOM 0 H ALA A 71 5.724 17.551 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 71 3.083 18.550 -9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.533 16.415 -10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.822 17.279 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.225 15.890 -10.007 1.00 0.00 H new ATOM 1079 N LYS A 72 2.196 16.347 -7.622 1.00 0.00 N ATOM 1080 CA LYS A 72 1.727 15.645 -6.444 1.00 0.00 C ATOM 1081 C LYS A 72 0.386 14.986 -6.735 1.00 0.00 C ATOM 1082 O LYS A 72 -0.496 15.600 -7.331 1.00 0.00 O ATOM 1083 CB LYS A 72 1.607 16.625 -5.282 1.00 0.00 C ATOM 1084 CG LYS A 72 0.602 17.716 -5.639 1.00 0.00 C ATOM 1085 CD LYS A 72 1.240 19.086 -5.427 1.00 0.00 C ATOM 1086 CE LYS A 72 0.161 20.163 -5.470 1.00 0.00 C ATOM 1087 NZ LYS A 72 0.746 21.488 -5.726 1.00 0.00 N ATOM 0 H LYS A 72 1.562 16.301 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 72 2.440 14.867 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.286 16.101 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.579 17.068 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.285 17.608 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.291 17.619 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.758 19.113 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.987 19.274 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.564 19.925 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.381 20.178 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.010 22.202 -5.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.420 21.722 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.242 21.478 -6.640 1.00 0.00 H new ATOM 1101 N LYS A 73 0.234 13.729 -6.310 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.996 12.995 -6.526 1.00 0.00 C ATOM 1103 C LYS A 73 -1.082 11.829 -5.551 1.00 0.00 C ATOM 1104 O LYS A 73 -0.209 11.667 -4.697 1.00 0.00 O ATOM 1105 CB LYS A 73 -1.045 12.496 -7.967 1.00 0.00 C ATOM 1106 CG LYS A 73 0.349 12.047 -8.397 1.00 0.00 C ATOM 1107 CD LYS A 73 0.262 10.666 -9.040 1.00 0.00 C ATOM 1108 CE LYS A 73 -0.109 10.813 -10.513 1.00 0.00 C ATOM 1109 NZ LYS A 73 -1.341 10.072 -10.823 1.00 0.00 N ATOM 0 H LYS A 73 0.955 13.205 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.848 13.652 -6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.748 11.668 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.403 13.287 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.772 12.762 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.015 12.017 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.216 10.148 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.483 10.060 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.244 11.867 -10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.707 10.446 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.109 9.240 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.792 9.763 -9.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.994 10.688 -11.348 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.133 11.020 -5.678 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.347 9.870 -4.800 1.00 0.00 C ATOM 1125 C LEU A 74 -1.813 8.574 -5.415 1.00 0.00 C ATOM 1126 O LEU A 74 -1.965 8.328 -6.610 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.839 9.727 -4.494 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.271 8.325 -4.013 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -5.174 8.414 -2.786 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.972 7.559 -5.127 1.00 0.00 C ATOM 0 H LEU A 74 -2.856 11.142 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.795 10.047 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.110 10.457 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.405 9.978 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.368 7.783 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.461 7.410 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.639 8.909 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.068 8.986 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.266 6.575 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.858 8.108 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.294 7.445 -5.973 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.180 7.748 -4.580 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.620 6.489 -5.029 1.00 0.00 C ATOM 1144 C TYR A 75 -1.212 5.343 -4.224 1.00 0.00 C ATOM 1145 O TYR A 75 -1.292 5.415 -3.000 1.00 0.00 O ATOM 1146 CB TYR A 75 0.899 6.528 -4.880 1.00 0.00 C ATOM 1147 CG TYR A 75 1.553 7.650 -5.650 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.154 8.975 -5.429 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.556 7.367 -6.584 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.762 10.015 -6.143 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.162 8.408 -7.298 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.765 9.732 -7.077 1.00 0.00 C ATOM 1153 OH TYR A 75 3.356 10.746 -7.771 1.00 0.00 O ATOM 0 H TYR A 75 -1.046 7.937 -3.587 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.866 6.331 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.150 6.629 -3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.313 5.578 -5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.379 9.194 -4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.863 6.346 -6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.456 11.037 -5.973 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.936 8.189 -8.019 1.00 0.00 H new ATOM 0 HH TYR A 75 4.032 10.377 -8.377 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.629 4.279 -4.915 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.210 3.124 -4.261 1.00 0.00 C ATOM 1165 C GLU A 76 -1.110 2.172 -3.814 1.00 0.00 C ATOM 1166 O GLU A 76 -0.670 1.322 -4.586 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.173 2.427 -5.219 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.785 3.459 -6.163 1.00 0.00 C ATOM 1169 CD GLU A 76 -5.253 3.152 -6.423 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.509 2.326 -7.327 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -6.091 3.750 -5.715 1.00 0.00 O ATOM 0 H GLU A 76 -1.571 4.202 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.764 3.444 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.646 1.663 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.958 1.920 -4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.688 4.455 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.238 3.465 -7.106 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.667 2.316 -2.564 1.00 0.00 N ATOM 1179 CA ALA A 77 0.378 1.472 -2.020 1.00 0.00 C ATOM 1180 C ALA A 77 -0.214 0.142 -1.574 1.00 0.00 C ATOM 1181 O ALA A 77 -1.051 0.103 -0.673 1.00 0.00 O ATOM 1182 CB ALA A 77 1.050 2.184 -0.851 1.00 0.00 C ATOM 0 H ALA A 77 -1.023 3.015 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 77 1.128 1.275 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.836 1.549 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.484 3.122 -1.197 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.311 2.391 -0.077 1.00 0.00 H new ATOM 1188 N LYS A 78 0.221 -0.950 -2.207 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.268 -2.272 -1.873 1.00 0.00 C ATOM 1190 C LYS A 78 0.852 -3.096 -1.252 1.00 0.00 C ATOM 1191 O LYS A 78 1.827 -3.427 -1.922 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.804 -2.949 -3.131 1.00 0.00 C ATOM 1193 CG LYS A 78 -2.307 -2.708 -3.237 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.570 -1.219 -3.450 1.00 0.00 C ATOM 1195 CE LYS A 78 -2.943 -0.972 -4.909 1.00 0.00 C ATOM 1196 NZ LYS A 78 -1.743 -0.932 -5.760 1.00 0.00 N ATOM 0 H LYS A 78 0.914 -0.935 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.077 -2.191 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.299 -2.555 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.598 -4.019 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.721 -3.283 -4.065 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.806 -3.050 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.375 -0.884 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.684 -0.641 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.613 -1.759 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.486 -0.031 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.017 -0.696 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.086 -0.210 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.277 -1.862 -5.747 1.00 0.00 H new ATOM 1210 N VAL A 79 0.707 -3.428 0.033 1.00 0.00 N ATOM 1211 CA VAL A 79 1.703 -4.210 0.737 1.00 0.00 C ATOM 1212 C VAL A 79 1.113 -5.554 1.139 1.00 0.00 C ATOM 1213 O VAL A 79 0.037 -5.611 1.730 1.00 0.00 O ATOM 1214 CB VAL A 79 2.178 -3.439 1.966 1.00 0.00 C ATOM 1215 CG1 VAL A 79 3.471 -4.058 2.487 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.428 -1.982 1.586 1.00 0.00 C ATOM 0 H VAL A 79 -0.097 -3.162 0.601 1.00 0.00 H new ATOM 0 HA VAL A 79 2.557 -4.391 0.085 1.00 0.00 H new ATOM 0 HB VAL A 79 1.415 -3.487 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.810 -3.507 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.293 -5.099 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.235 -4.011 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.767 -1.430 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.191 -1.934 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.504 -1.539 1.214 1.00 0.00 H new ATOM 1226 N TRP A 80 1.819 -6.639 0.815 1.00 0.00 N ATOM 1227 CA TRP A 80 1.360 -7.973 1.146 1.00 0.00 C ATOM 1228 C TRP A 80 2.122 -8.498 2.355 1.00 0.00 C ATOM 1229 O TRP A 80 3.276 -8.904 2.239 1.00 0.00 O ATOM 1230 CB TRP A 80 1.558 -8.891 -0.057 1.00 0.00 C ATOM 1231 CG TRP A 80 0.827 -10.193 0.017 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.272 -10.429 0.766 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.120 -11.448 -0.667 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.677 -11.736 0.592 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.149 -12.412 -0.283 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.108 -11.873 -1.573 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.155 -13.722 -0.769 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.124 -13.185 -2.068 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.152 -14.110 -1.669 1.00 0.00 C ATOM 0 H TRP A 80 2.712 -6.611 0.323 1.00 0.00 H new ATOM 0 HA TRP A 80 0.299 -7.944 1.395 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.239 -8.362 -0.955 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.623 -9.095 -0.169 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.759 -9.706 1.403 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.487 -12.151 1.053 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.868 -11.176 -1.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.601 -14.426 -0.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.894 -13.485 -2.764 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.172 -15.119 -2.055 1.00 0.00 H new ATOM 1250 N GLU A 81 1.470 -8.488 3.520 1.00 0.00 N ATOM 1251 CA GLU A 81 2.087 -8.964 4.742 1.00 0.00 C ATOM 1252 C GLU A 81 1.327 -10.171 5.273 1.00 0.00 C ATOM 1253 O GLU A 81 0.226 -10.466 4.814 1.00 0.00 O ATOM 1254 CB GLU A 81 2.104 -7.838 5.773 1.00 0.00 C ATOM 1255 CG GLU A 81 0.737 -7.161 5.808 1.00 0.00 C ATOM 1256 CD GLU A 81 0.502 -6.348 4.542 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.505 -5.832 4.004 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.677 -6.258 4.138 1.00 0.00 O ATOM 0 H GLU A 81 0.513 -8.153 3.634 1.00 0.00 H new ATOM 0 HA GLU A 81 3.113 -9.270 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.350 -8.235 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.876 -7.111 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.044 -7.914 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.671 -6.511 6.680 1.00 0.00 H new ATOM 1265 N LYS A 82 1.919 -10.868 6.246 1.00 0.00 N ATOM 1266 CA LYS A 82 1.296 -12.036 6.834 1.00 0.00 C ATOM 1267 C LYS A 82 1.591 -12.084 8.327 1.00 0.00 C ATOM 1268 O LYS A 82 2.744 -12.218 8.731 1.00 0.00 O ATOM 1269 CB LYS A 82 1.815 -13.293 6.141 1.00 0.00 C ATOM 1270 CG LYS A 82 1.905 -13.042 4.638 1.00 0.00 C ATOM 1271 CD LYS A 82 2.748 -14.137 3.989 1.00 0.00 C ATOM 1272 CE LYS A 82 2.037 -14.655 2.743 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.976 -15.350 1.849 1.00 0.00 N ATOM 0 H LYS A 82 2.832 -10.636 6.638 1.00 0.00 H new ATOM 0 HA LYS A 82 0.216 -11.981 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.795 -13.561 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.150 -14.133 6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.907 -13.029 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.349 -12.065 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.730 -13.746 3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.909 -14.952 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.236 -15.335 3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.573 -13.823 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.467 -15.692 1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.726 -14.693 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.400 -16.157 2.350 1.00 0.00 H new ATOM 1287 N PRO A 83 0.542 -11.974 9.147 1.00 0.00 N ATOM 1288 CA PRO A 83 0.630 -12.000 10.591 1.00 0.00 C ATOM 1289 C PRO A 83 0.936 -13.414 11.059 1.00 0.00 C ATOM 1290 O PRO A 83 1.793 -13.616 11.915 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.747 -11.549 11.074 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.672 -12.031 9.957 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.826 -11.815 8.705 1.00 0.00 C ATOM 0 HA PRO A 83 1.421 -11.359 10.980 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.005 -11.996 12.034 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.797 -10.468 11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.948 -13.078 10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.599 -11.458 9.923 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.077 -12.538 7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -0.992 -10.824 8.282 1.00 0.00 H new ATOM 1301 N TRP A 84 0.232 -14.398 10.493 1.00 0.00 N ATOM 1302 CA TRP A 84 0.434 -15.786 10.857 1.00 0.00 C ATOM 1303 C TRP A 84 1.923 -16.105 10.877 1.00 0.00 C ATOM 1304 O TRP A 84 2.334 -17.138 11.400 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.298 -16.683 9.863 1.00 0.00 C ATOM 1306 CG TRP A 84 0.355 -16.802 8.523 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.393 -17.616 8.230 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.037 -16.100 7.283 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.738 -17.465 6.903 1.00 0.00 N ATOM 1310 CE2 TRP A 84 0.931 -16.541 6.271 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.916 -15.136 6.910 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.884 -16.054 4.962 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -0.972 -14.639 5.599 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.076 -15.095 4.625 1.00 0.00 C ATOM 0 H TRP A 84 -0.482 -14.249 9.780 1.00 0.00 H new ATOM 0 HA TRP A 84 0.032 -15.966 11.854 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.391 -17.679 10.295 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.309 -16.299 9.726 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.878 -18.283 8.928 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.495 -17.973 6.446 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.618 -14.771 7.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.581 -16.414 4.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.713 -13.898 5.339 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.126 -14.708 3.618 1.00 0.00 H new ATOM 1325 N MET A 85 2.731 -15.211 10.304 1.00 0.00 N ATOM 1326 CA MET A 85 4.167 -15.401 10.257 1.00 0.00 C ATOM 1327 C MET A 85 4.869 -14.051 10.258 1.00 0.00 C ATOM 1328 O MET A 85 6.064 -13.968 9.984 1.00 0.00 O ATOM 1329 CB MET A 85 4.533 -16.200 9.009 1.00 0.00 C ATOM 1330 CG MET A 85 4.178 -15.389 7.765 1.00 0.00 C ATOM 1331 SD MET A 85 4.325 -16.317 6.218 1.00 0.00 S ATOM 1332 CE MET A 85 5.998 -15.817 5.739 1.00 0.00 C ATOM 0 H MET A 85 2.406 -14.348 9.867 1.00 0.00 H new ATOM 0 HA MET A 85 4.492 -15.956 11.137 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.598 -16.434 9.013 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.998 -17.150 9.002 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.156 -15.022 7.862 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.827 -14.515 7.716 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.415 -16.553 5.052 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.961 -14.844 5.249 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.627 -15.752 6.627 1.00 0.00 H new ATOM 1342 N ASP A 86 4.121 -12.990 10.568 1.00 0.00 N ATOM 1343 CA ASP A 86 4.673 -11.650 10.603 1.00 0.00 C ATOM 1344 C ASP A 86 5.613 -11.450 9.423 1.00 0.00 C ATOM 1345 O ASP A 86 6.826 -11.593 9.562 1.00 0.00 O ATOM 1346 CB ASP A 86 5.408 -11.438 11.923 1.00 0.00 C ATOM 1347 CG ASP A 86 5.574 -9.954 12.220 1.00 0.00 C ATOM 1348 OD1 ASP A 86 6.483 -9.352 11.611 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.788 -9.451 13.052 1.00 0.00 O ATOM 0 H ASP A 86 3.129 -13.042 10.798 1.00 0.00 H new ATOM 0 HA ASP A 86 3.869 -10.918 10.529 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.855 -11.915 12.732 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.387 -11.916 11.880 1.00 0.00 H new ATOM 1354 N PHE A 87 5.051 -11.117 8.259 1.00 0.00 N ATOM 1355 CA PHE A 87 5.843 -10.899 7.065 1.00 0.00 C ATOM 1356 C PHE A 87 5.341 -9.664 6.330 1.00 0.00 C ATOM 1357 O PHE A 87 4.423 -8.992 6.795 1.00 0.00 O ATOM 1358 CB PHE A 87 5.759 -12.133 6.169 1.00 0.00 C ATOM 1359 CG PHE A 87 6.293 -11.903 4.775 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.663 -12.031 4.520 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.416 -11.558 3.738 1.00 0.00 C ATOM 1362 CE1 PHE A 87 8.157 -11.816 3.228 1.00 0.00 C ATOM 1363 CE2 PHE A 87 5.911 -11.342 2.447 1.00 0.00 C ATOM 1364 CZ PHE A 87 7.281 -11.473 2.192 1.00 0.00 C ATOM 0 H PHE A 87 4.047 -10.994 8.126 1.00 0.00 H new ATOM 0 HA PHE A 87 6.885 -10.734 7.340 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.315 -12.948 6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.719 -12.454 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.339 -12.296 5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.359 -11.459 3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.214 -11.915 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.236 -11.074 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.662 -11.309 1.195 1.00 0.00 H new ATOM 1374 N LYS A 88 5.948 -9.366 5.179 1.00 0.00 N ATOM 1375 CA LYS A 88 5.560 -8.215 4.388 1.00 0.00 C ATOM 1376 C LYS A 88 6.392 -8.157 3.115 1.00 0.00 C ATOM 1377 O LYS A 88 7.541 -8.592 3.100 1.00 0.00 O ATOM 1378 CB LYS A 88 5.747 -6.945 5.214 1.00 0.00 C ATOM 1379 CG LYS A 88 7.232 -6.737 5.496 1.00 0.00 C ATOM 1380 CD LYS A 88 7.483 -5.274 5.851 1.00 0.00 C ATOM 1381 CE LYS A 88 8.244 -5.194 7.172 1.00 0.00 C ATOM 1382 NZ LYS A 88 7.323 -5.249 8.317 1.00 0.00 N ATOM 0 H LYS A 88 6.711 -9.913 4.780 1.00 0.00 H new ATOM 0 HA LYS A 88 4.510 -8.300 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.344 -6.086 4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.195 -7.023 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.551 -7.381 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.821 -7.017 4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.055 -4.790 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.536 -4.741 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.957 -6.016 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.820 -4.269 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.866 -5.193 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.659 -4.450 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.792 -6.143 8.293 1.00 0.00 H new ATOM 1396 N GLU A 89 5.807 -7.617 2.043 1.00 0.00 N ATOM 1397 CA GLU A 89 6.497 -7.506 0.773 1.00 0.00 C ATOM 1398 C GLU A 89 5.762 -6.529 -0.133 1.00 0.00 C ATOM 1399 O GLU A 89 4.777 -6.896 -0.777 1.00 0.00 O ATOM 1400 CB GLU A 89 6.587 -8.883 0.123 1.00 0.00 C ATOM 1401 CG GLU A 89 7.548 -8.824 -1.062 1.00 0.00 C ATOM 1402 CD GLU A 89 7.736 -10.202 -1.678 1.00 0.00 C ATOM 1403 OE1 GLU A 89 6.701 -10.824 -2.003 1.00 0.00 O ATOM 1404 OE2 GLU A 89 8.911 -10.609 -1.814 1.00 0.00 O ATOM 0 H GLU A 89 4.855 -7.251 2.038 1.00 0.00 H new ATOM 0 HA GLU A 89 7.506 -7.128 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.933 -9.618 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.600 -9.205 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.163 -8.135 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.511 -8.433 -0.735 1.00 0.00 H new ATOM 1411 N LEU A 90 6.240 -5.286 -0.182 1.00 0.00 N ATOM 1412 CA LEU A 90 5.624 -4.242 -1.002 1.00 0.00 C ATOM 1413 C LEU A 90 5.372 -4.716 -2.435 1.00 0.00 C ATOM 1414 O LEU A 90 6.267 -5.233 -3.100 1.00 0.00 O ATOM 1415 CB LEU A 90 6.521 -3.002 -1.012 1.00 0.00 C ATOM 1416 CG LEU A 90 5.847 -1.720 -1.547 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.131 -1.980 -2.869 1.00 0.00 C ATOM 1418 CD2 LEU A 90 4.870 -1.152 -0.523 1.00 0.00 C ATOM 0 H LEU A 90 7.059 -4.975 0.341 1.00 0.00 H new ATOM 0 HA LEU A 90 4.657 -3.998 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.870 -2.815 0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.402 -3.213 -1.618 1.00 0.00 H new ATOM 0 HG LEU A 90 6.633 -0.986 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.667 -1.058 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.850 -2.328 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.363 -2.740 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.408 -0.249 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.098 -1.891 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.405 -0.910 0.395 1.00 0.00 H new ATOM 1430 N GLN A 91 4.134 -4.536 -2.902 1.00 0.00 N ATOM 1431 CA GLN A 91 3.756 -4.943 -4.240 1.00 0.00 C ATOM 1432 C GLN A 91 3.907 -3.771 -5.198 1.00 0.00 C ATOM 1433 O GLN A 91 4.428 -3.929 -6.300 1.00 0.00 O ATOM 1434 CB GLN A 91 2.315 -5.449 -4.227 1.00 0.00 C ATOM 1435 CG GLN A 91 2.239 -6.749 -3.432 1.00 0.00 C ATOM 1436 CD GLN A 91 2.664 -7.934 -4.287 1.00 0.00 C ATOM 1437 OE1 GLN A 91 3.520 -7.798 -5.158 1.00 0.00 O ATOM 1438 NE2 GLN A 91 2.061 -9.099 -4.037 1.00 0.00 N ATOM 0 H GLN A 91 3.380 -4.109 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 91 4.408 -5.748 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.659 -4.700 -3.783 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.967 -5.613 -5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.881 -6.681 -2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.221 -6.901 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.356 -9.161 -3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.306 -9.927 -4.580 1.00 0.00 H new ATOM 1447 N GLU A 92 3.449 -2.590 -4.776 1.00 0.00 N ATOM 1448 CA GLU A 92 3.539 -1.400 -5.599 1.00 0.00 C ATOM 1449 C GLU A 92 2.649 -0.306 -5.027 1.00 0.00 C ATOM 1450 O GLU A 92 1.563 -0.583 -4.522 1.00 0.00 O ATOM 1451 CB GLU A 92 3.128 -1.739 -7.029 1.00 0.00 C ATOM 1452 CG GLU A 92 4.368 -1.800 -7.914 1.00 0.00 C ATOM 1453 CD GLU A 92 4.169 -2.777 -9.064 1.00 0.00 C ATOM 1454 OE1 GLU A 92 4.496 -3.966 -8.860 1.00 0.00 O ATOM 1455 OE2 GLU A 92 3.693 -2.317 -10.124 1.00 0.00 O ATOM 0 H GLU A 92 3.013 -2.441 -3.866 1.00 0.00 H new ATOM 0 HA GLU A 92 4.567 -1.036 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.605 -2.695 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.435 -0.988 -7.407 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.587 -0.808 -8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.229 -2.103 -7.319 1.00 0.00 H new ATOM 1462 N PHE A 93 3.112 0.944 -5.109 1.00 0.00 N ATOM 1463 CA PHE A 93 2.358 2.072 -4.601 1.00 0.00 C ATOM 1464 C PHE A 93 2.352 3.194 -5.630 1.00 0.00 C ATOM 1465 O PHE A 93 3.275 4.003 -5.676 1.00 0.00 O ATOM 1466 CB PHE A 93 2.975 2.545 -3.288 1.00 0.00 C ATOM 1467 CG PHE A 93 4.057 3.582 -3.469 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.290 3.218 -4.024 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.826 4.909 -3.085 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.293 4.180 -4.193 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.829 5.871 -3.255 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.062 5.507 -3.809 1.00 0.00 C ATOM 0 H PHE A 93 4.010 1.192 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 93 1.327 1.771 -4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.190 2.958 -2.655 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.391 1.686 -2.761 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.467 2.195 -4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.875 5.190 -2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.245 3.899 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.651 6.894 -2.959 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.835 6.249 -3.940 1.00 0.00 H new ATOM 1482 N LYS A 94 1.304 3.241 -6.456 1.00 0.00 N ATOM 1483 CA LYS A 94 1.184 4.262 -7.478 1.00 0.00 C ATOM 1484 C LYS A 94 -0.268 4.384 -7.919 1.00 0.00 C ATOM 1485 O LYS A 94 -1.084 3.513 -7.628 1.00 0.00 O ATOM 1486 CB LYS A 94 2.080 3.905 -8.660 1.00 0.00 C ATOM 1487 CG LYS A 94 2.134 2.389 -8.818 1.00 0.00 C ATOM 1488 CD LYS A 94 2.537 2.039 -10.247 1.00 0.00 C ATOM 1489 CE LYS A 94 3.734 1.093 -10.222 1.00 0.00 C ATOM 1490 NZ LYS A 94 4.391 1.040 -11.537 1.00 0.00 N ATOM 0 H LYS A 94 0.529 2.578 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 94 1.502 5.224 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.697 4.363 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.083 4.301 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.849 1.965 -8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.162 1.954 -8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.701 1.571 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.788 2.946 -10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.448 1.424 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.407 0.094 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.202 0.390 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.714 0.702 -12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.723 1.991 -11.798 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.588 5.470 -8.626 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.913 5.754 -9.131 1.00 0.00 C ATOM 1506 C PRO A 95 -2.229 4.820 -10.290 1.00 0.00 C ATOM 1507 O PRO A 95 -3.294 4.918 -10.896 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.852 7.207 -9.599 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.391 7.365 -10.018 1.00 0.00 C ATOM 1510 CD PRO A 95 0.347 6.514 -8.988 1.00 0.00 C ATOM 0 HA PRO A 95 -2.692 5.607 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.534 7.394 -10.429 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.122 7.900 -8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.220 7.009 -11.034 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.071 8.407 -9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.263 6.096 -9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.633 7.106 -8.119 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.299 3.915 -10.599 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.481 2.970 -11.684 1.00 0.00 C ATOM 1520 C VAL A 96 -1.654 3.721 -12.996 1.00 0.00 C ATOM 1521 O VAL A 96 -2.774 4.047 -13.384 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.697 2.095 -11.396 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.952 1.171 -12.584 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -2.436 1.257 -10.147 1.00 0.00 C ATOM 0 H VAL A 96 -0.411 3.822 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.602 2.330 -11.768 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.570 2.728 -11.234 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.821 0.546 -12.379 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.138 1.769 -13.476 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.080 0.538 -12.746 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.304 0.631 -9.941 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.563 0.624 -10.309 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.254 1.916 -9.298 1.00 0.00 H new