USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 834 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 84 HIS :FLIP no HE2:sc= -4.46! C(o=-6.7!,f=-4.6!) USER MOD Set 1.2: A 99 MET CE :methyl 146:sc= -0.156 (180deg=-2.09!) USER MOD Set 2.1: A 32 HIS : no HD1:sc= -3.76 K(o=-3.8,f=-5.5!) USER MOD Set 2.2: A 33 THR OG1 : rot -120:sc= 0 USER MOD Set 3.1: A 13 THR OG1 : rot 42:sc= 0.113 USER MOD Set 3.2: A 63 LYS NZ :NH3+ -159:sc= -1.8 (180deg=-3.15!) USER MOD Single : A 24 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.98) USER MOD Single : A 29 CYS SG : rot 180:sc= -4.89! USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.331 F(o=-1.1,f=-0.33) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.127) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 38 CYS SG : rot -150:sc= -0.764 USER MOD Single : A 42 SER OG : rot -80:sc= 0.0661 USER MOD Single : A 51 GLN : amide:sc= -0.0913 K(o=-0.091,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -130:sc= -1.44 (180deg=-2.7!) USER MOD Single : A 65 MET CE :methyl -119:sc= -3.29! (180deg=-7.2!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.153 F(o=-0.82,f=-0.15) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 75 HIS : no HD1:sc= -3.24! C(o=-3.2!,f=-3.6!) USER MOD Single : A 76 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.45) USER MOD Single : A 86 SER OG : rot -53:sc= 1.08 USER MOD Single : A 88 MET CE :methyl -165:sc= -0.949 (180deg=-1.44) USER MOD Single : A 91 HIS : no HD1:sc= -8.52! C(o=-8.5!,f=-8.5!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 130:sc= -2.65! USER MOD Single : A 97 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.4) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 13 -4.915 11.436 7.412 1.00 0.00 N ATOM 143 CA THR A 13 -4.229 10.156 7.380 1.00 0.00 C ATOM 144 C THR A 13 -2.793 10.308 7.886 1.00 0.00 C ATOM 145 O THR A 13 -2.085 11.231 7.487 1.00 0.00 O ATOM 146 CB THR A 13 -4.316 9.608 5.954 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.696 9.294 5.786 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.606 8.262 5.799 1.00 0.00 C ATOM 0 HA THR A 13 -4.702 9.437 8.049 1.00 0.00 H new ATOM 0 HB THR A 13 -3.881 10.329 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.244 10.009 6.172 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.698 7.919 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.552 8.376 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.062 7.531 6.467 1.00 0.00 H new ATOM 156 N LEU A 14 -2.406 9.387 8.756 1.00 0.00 N ATOM 157 CA LEU A 14 -1.067 9.407 9.321 1.00 0.00 C ATOM 158 C LEU A 14 -0.244 8.271 8.710 1.00 0.00 C ATOM 159 O LEU A 14 -0.689 7.125 8.678 1.00 0.00 O ATOM 160 CB LEU A 14 -1.130 9.368 10.849 1.00 0.00 C ATOM 161 CG LEU A 14 -2.029 10.415 11.511 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.575 9.904 12.845 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.295 11.749 11.665 1.00 0.00 C ATOM 0 H LEU A 14 -2.996 8.622 9.084 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.561 10.339 9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.473 8.379 11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.119 9.488 11.238 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.885 10.592 10.860 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.210 10.667 13.294 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.159 8.999 12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.746 9.681 13.516 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.956 12.475 12.138 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.409 11.607 12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.997 12.116 10.683 1.00 0.00 H new ATOM 175 N ILE A 15 0.942 8.629 8.242 1.00 0.00 N ATOM 176 CA ILE A 15 1.832 7.654 7.634 1.00 0.00 C ATOM 177 C ILE A 15 1.910 6.415 8.527 1.00 0.00 C ATOM 178 O ILE A 15 1.664 5.299 8.070 1.00 0.00 O ATOM 179 CB ILE A 15 3.194 8.284 7.336 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.085 7.319 6.551 1.00 0.00 C ATOM 181 CG2 ILE A 15 3.868 8.767 8.622 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.389 7.998 6.129 1.00 0.00 C ATOM 0 H ILE A 15 1.308 9.581 8.271 1.00 0.00 H new ATOM 0 HA ILE A 15 1.440 7.329 6.670 1.00 0.00 H new ATOM 0 HB ILE A 15 3.034 9.160 6.707 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.307 6.445 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.553 6.964 5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.834 9.211 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.237 9.512 9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.014 7.923 9.296 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.004 7.291 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.164 8.858 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.930 8.330 7.015 1.00 0.00 H new ATOM 194 N GLU A 16 2.252 6.651 9.785 1.00 0.00 N ATOM 195 CA GLU A 16 2.365 5.568 10.747 1.00 0.00 C ATOM 196 C GLU A 16 1.100 4.708 10.729 1.00 0.00 C ATOM 197 O GLU A 16 1.170 3.490 10.881 1.00 0.00 O ATOM 198 CB GLU A 16 2.642 6.108 12.151 1.00 0.00 C ATOM 199 CG GLU A 16 4.051 6.697 12.244 1.00 0.00 C ATOM 200 CD GLU A 16 4.297 7.314 13.623 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.365 6.528 14.592 1.00 0.00 O ATOM 202 OE2 GLU A 16 4.411 8.557 13.676 1.00 0.00 O ATOM 0 H GLU A 16 2.455 7.577 10.161 1.00 0.00 H new ATOM 0 HA GLU A 16 3.210 4.942 10.462 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.907 6.873 12.402 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.530 5.307 12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.788 5.917 12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.183 7.456 11.473 1.00 0.00 H new ATOM 209 N ASP A 17 -0.029 5.377 10.542 1.00 0.00 N ATOM 210 CA ASP A 17 -1.308 4.689 10.503 1.00 0.00 C ATOM 211 C ASP A 17 -1.415 3.894 9.200 1.00 0.00 C ATOM 212 O ASP A 17 -2.123 2.890 9.138 1.00 0.00 O ATOM 213 CB ASP A 17 -2.470 5.684 10.546 1.00 0.00 C ATOM 214 CG ASP A 17 -3.216 5.751 11.880 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.573 5.438 12.905 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.411 6.113 11.844 1.00 0.00 O ATOM 0 H ASP A 17 -0.084 6.388 10.416 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.364 4.031 11.370 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.087 6.677 10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.181 5.423 9.762 1.00 0.00 H new ATOM 221 N VAL A 18 -0.701 4.373 8.192 1.00 0.00 N ATOM 222 CA VAL A 18 -0.707 3.719 6.894 1.00 0.00 C ATOM 223 C VAL A 18 0.385 2.647 6.863 1.00 0.00 C ATOM 224 O VAL A 18 0.306 1.698 6.085 1.00 0.00 O ATOM 225 CB VAL A 18 -0.555 4.759 5.783 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.618 4.101 4.403 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.610 5.860 5.915 1.00 0.00 C ATOM 0 H VAL A 18 -0.115 5.206 8.248 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.660 3.218 6.723 1.00 0.00 H new ATOM 0 HB VAL A 18 0.427 5.221 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.507 4.863 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.187 3.371 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.578 3.599 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.480 6.587 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.605 5.420 5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.497 6.358 6.878 1.00 0.00 H new ATOM 237 N LEU A 19 1.379 2.836 7.719 1.00 0.00 N ATOM 238 CA LEU A 19 2.485 1.897 7.799 1.00 0.00 C ATOM 239 C LEU A 19 2.151 0.807 8.820 1.00 0.00 C ATOM 240 O LEU A 19 2.479 -0.361 8.615 1.00 0.00 O ATOM 241 CB LEU A 19 3.793 2.635 8.093 1.00 0.00 C ATOM 242 CG LEU A 19 4.511 3.236 6.884 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.457 2.217 6.246 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.508 3.797 5.874 1.00 0.00 C ATOM 0 H LEU A 19 1.441 3.625 8.363 1.00 0.00 H new ATOM 0 HA LEU A 19 2.634 1.401 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.583 3.437 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.474 1.943 8.588 1.00 0.00 H new ATOM 0 HG LEU A 19 5.122 4.070 7.229 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.955 2.670 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.204 1.906 6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.887 1.348 5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.045 4.218 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.853 2.997 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.911 4.576 6.348 1.00 0.00 H new ATOM 256 N ARG A 20 1.503 1.228 9.896 1.00 0.00 N ATOM 257 CA ARG A 20 1.120 0.302 10.949 1.00 0.00 C ATOM 258 C ARG A 20 0.670 -1.030 10.346 1.00 0.00 C ATOM 259 O ARG A 20 1.167 -2.088 10.729 1.00 0.00 O ATOM 260 CB ARG A 20 -0.012 0.876 11.802 1.00 0.00 C ATOM 261 CG ARG A 20 0.352 0.844 13.288 1.00 0.00 C ATOM 262 CD ARG A 20 1.531 1.773 13.584 1.00 0.00 C ATOM 263 NE ARG A 20 1.272 2.542 14.822 1.00 0.00 N ATOM 264 CZ ARG A 20 1.304 2.015 16.054 1.00 0.00 C ATOM 265 NH1 ARG A 20 1.584 0.716 16.220 1.00 0.00 N ATOM 266 NH2 ARG A 20 1.056 2.789 17.120 1.00 0.00 N ATOM 0 H ARG A 20 1.233 2.198 10.062 1.00 0.00 H new ATOM 0 HA ARG A 20 1.992 0.142 11.583 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.219 1.902 11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.924 0.304 11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.510 1.144 13.884 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.604 -0.175 13.582 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.445 1.190 13.693 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.686 2.455 12.748 1.00 0.00 H new ATOM 0 HE ARG A 20 1.056 3.535 14.732 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.773 0.127 15.409 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.608 0.315 17.158 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.843 3.778 16.993 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.080 2.388 18.058 1.00 0.00 H new ATOM 280 N PRO A 21 -0.291 -0.933 9.388 1.00 0.00 N ATOM 281 CA PRO A 21 -0.813 -2.117 8.729 1.00 0.00 C ATOM 282 C PRO A 21 0.191 -2.668 7.714 1.00 0.00 C ATOM 283 O PRO A 21 0.621 -3.816 7.821 1.00 0.00 O ATOM 284 CB PRO A 21 -2.118 -1.669 8.091 1.00 0.00 C ATOM 285 CG PRO A 21 -2.047 -0.152 8.020 1.00 0.00 C ATOM 286 CD PRO A 21 -0.903 0.303 8.910 1.00 0.00 C ATOM 0 HA PRO A 21 -0.986 -2.942 9.421 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.236 -2.102 7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.974 -1.993 8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.885 0.175 6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.987 0.290 8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.188 0.910 8.356 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.264 0.912 9.739 1.00 0.00 H new ATOM 294 N LEU A 22 0.535 -1.824 6.753 1.00 0.00 N ATOM 295 CA LEU A 22 1.480 -2.212 5.720 1.00 0.00 C ATOM 296 C LEU A 22 2.663 -2.938 6.363 1.00 0.00 C ATOM 297 O LEU A 22 3.309 -3.767 5.724 1.00 0.00 O ATOM 298 CB LEU A 22 1.886 -0.998 4.882 1.00 0.00 C ATOM 299 CG LEU A 22 0.968 -0.657 3.706 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.304 0.720 3.130 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.013 -1.752 2.639 1.00 0.00 C ATOM 0 H LEU A 22 0.176 -0.873 6.668 1.00 0.00 H new ATOM 0 HA LEU A 22 1.017 -2.911 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.940 -0.130 5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.891 -1.168 4.495 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.057 -0.610 4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.637 0.938 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.178 1.478 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.336 0.726 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.352 -1.484 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.032 -1.856 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.687 -2.697 3.073 1.00 0.00 H new ATOM 313 N GLU A 23 2.910 -2.601 7.620 1.00 0.00 N ATOM 314 CA GLU A 23 4.004 -3.210 8.357 1.00 0.00 C ATOM 315 C GLU A 23 3.528 -4.486 9.055 1.00 0.00 C ATOM 316 O GLU A 23 4.247 -5.484 9.089 1.00 0.00 O ATOM 317 CB GLU A 23 4.603 -2.226 9.364 1.00 0.00 C ATOM 318 CG GLU A 23 5.489 -1.195 8.663 1.00 0.00 C ATOM 319 CD GLU A 23 6.551 -0.645 9.617 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.145 0.014 10.598 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.745 -0.896 9.344 1.00 0.00 O ATOM 0 H GLU A 23 2.371 -1.914 8.147 1.00 0.00 H new ATOM 0 HA GLU A 23 4.789 -3.477 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.802 -1.717 9.901 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.189 -2.770 10.105 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.972 -1.653 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.874 -0.377 8.287 1.00 0.00 H new ATOM 328 N GLN A 24 2.320 -4.413 9.594 1.00 0.00 N ATOM 329 CA GLN A 24 1.740 -5.549 10.288 1.00 0.00 C ATOM 330 C GLN A 24 1.484 -6.696 9.308 1.00 0.00 C ATOM 331 O GLN A 24 1.512 -7.864 9.693 1.00 0.00 O ATOM 332 CB GLN A 24 0.453 -5.150 11.013 1.00 0.00 C ATOM 333 CG GLN A 24 -0.772 -5.397 10.131 1.00 0.00 C ATOM 334 CD GLN A 24 -2.061 -5.014 10.862 1.00 0.00 C ATOM 335 OE1 GLN A 24 -2.047 -4.441 11.939 1.00 0.00 O ATOM 336 NE2 GLN A 24 -3.172 -5.362 10.219 1.00 0.00 N ATOM 0 H GLN A 24 1.727 -3.584 9.564 1.00 0.00 H new ATOM 0 HA GLN A 24 2.451 -5.892 11.040 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.361 -5.720 11.938 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.499 -4.097 11.291 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.685 -4.818 9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.811 -6.448 9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.112 -5.840 9.320 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.084 -5.151 10.625 1.00 0.00 H new ATOM 345 N ALA A 25 1.241 -6.322 8.060 1.00 0.00 N ATOM 346 CA ALA A 25 0.980 -7.305 7.022 1.00 0.00 C ATOM 347 C ALA A 25 2.279 -8.041 6.685 1.00 0.00 C ATOM 348 O ALA A 25 2.281 -9.260 6.522 1.00 0.00 O ATOM 349 CB ALA A 25 0.370 -6.611 5.803 1.00 0.00 C ATOM 0 H ALA A 25 1.219 -5.352 7.744 1.00 0.00 H new ATOM 0 HA ALA A 25 0.261 -8.047 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.174 -7.348 5.025 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.565 -6.128 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.065 -5.861 5.426 1.00 0.00 H new ATOM 355 N LEU A 26 3.351 -7.269 6.590 1.00 0.00 N ATOM 356 CA LEU A 26 4.653 -7.832 6.275 1.00 0.00 C ATOM 357 C LEU A 26 4.957 -8.975 7.244 1.00 0.00 C ATOM 358 O LEU A 26 5.280 -10.084 6.820 1.00 0.00 O ATOM 359 CB LEU A 26 5.721 -6.736 6.261 1.00 0.00 C ATOM 360 CG LEU A 26 7.086 -7.137 5.696 1.00 0.00 C ATOM 361 CD1 LEU A 26 6.933 -7.865 4.359 1.00 0.00 C ATOM 362 CD2 LEU A 26 8.012 -5.924 5.586 1.00 0.00 C ATOM 0 H LEU A 26 3.345 -6.258 6.726 1.00 0.00 H new ATOM 0 HA LEU A 26 4.652 -8.257 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.342 -5.895 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.862 -6.381 7.282 1.00 0.00 H new ATOM 0 HG LEU A 26 7.552 -7.835 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.917 -8.139 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.335 -8.765 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.437 -7.210 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.975 -6.237 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.564 -5.183 4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.158 -5.487 6.574 1.00 0.00 H new ATOM 374 N GLU A 27 4.844 -8.666 8.528 1.00 0.00 N ATOM 375 CA GLU A 27 5.103 -9.655 9.561 1.00 0.00 C ATOM 376 C GLU A 27 4.534 -11.014 9.150 1.00 0.00 C ATOM 377 O GLU A 27 5.193 -12.040 9.309 1.00 0.00 O ATOM 378 CB GLU A 27 4.529 -9.205 10.906 1.00 0.00 C ATOM 379 CG GLU A 27 5.357 -8.064 11.501 1.00 0.00 C ATOM 380 CD GLU A 27 6.452 -8.604 12.423 1.00 0.00 C ATOM 381 OE1 GLU A 27 6.088 -9.074 13.523 1.00 0.00 O ATOM 382 OE2 GLU A 27 7.629 -8.535 12.007 1.00 0.00 O ATOM 0 H GLU A 27 4.577 -7.745 8.876 1.00 0.00 H new ATOM 0 HA GLU A 27 6.182 -9.755 9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.497 -8.880 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.513 -10.047 11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.808 -7.480 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.706 -7.390 12.059 1.00 0.00 H new ATOM 389 N ASP A 28 3.317 -10.978 8.629 1.00 0.00 N ATOM 390 CA ASP A 28 2.652 -12.194 8.193 1.00 0.00 C ATOM 391 C ASP A 28 3.498 -12.874 7.115 1.00 0.00 C ATOM 392 O ASP A 28 3.787 -14.066 7.208 1.00 0.00 O ATOM 393 CB ASP A 28 1.279 -11.887 7.593 1.00 0.00 C ATOM 394 CG ASP A 28 0.096 -12.520 8.328 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.220 -12.695 9.559 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.907 -12.815 7.642 1.00 0.00 O ATOM 0 H ASP A 28 2.773 -10.125 8.499 1.00 0.00 H new ATOM 0 HA ASP A 28 2.529 -12.841 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.140 -10.806 7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.268 -12.226 6.557 1.00 0.00 H new ATOM 401 N CYS A 29 3.871 -12.087 6.116 1.00 0.00 N ATOM 402 CA CYS A 29 4.678 -12.599 5.022 1.00 0.00 C ATOM 403 C CYS A 29 6.018 -13.069 5.591 1.00 0.00 C ATOM 404 O CYS A 29 6.459 -14.182 5.311 1.00 0.00 O ATOM 405 CB CYS A 29 4.861 -11.554 3.918 1.00 0.00 C ATOM 406 SG CYS A 29 6.357 -11.938 2.936 1.00 0.00 S ATOM 0 H CYS A 29 3.629 -11.099 6.042 1.00 0.00 H new ATOM 0 HA CYS A 29 4.169 -13.442 4.554 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.984 -11.540 3.270 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.949 -10.560 4.357 1.00 0.00 H new ATOM 0 HG CYS A 29 6.503 -11.047 2.001 1.00 0.00 H new ATOM 412 N HIS A 30 6.628 -12.196 6.380 1.00 0.00 N ATOM 413 CA HIS A 30 7.908 -12.508 6.991 1.00 0.00 C ATOM 414 C HIS A 30 7.847 -13.896 7.633 1.00 0.00 C ATOM 415 O HIS A 30 8.847 -14.611 7.671 1.00 0.00 O ATOM 416 CB HIS A 30 8.318 -11.416 7.981 1.00 0.00 C ATOM 417 CG HIS A 30 9.079 -11.928 9.181 1.00 0.00 C ATOM 418 ND1 HIS A 30 8.664 -12.666 10.250 1.00 0.00 N flip ATOM 419 CD2 HIS A 30 10.429 -11.690 9.370 1.00 0.00 C flip ATOM 420 CE1 HIS A 30 9.704 -12.869 11.049 1.00 0.00 C flip ATOM 421 NE2 HIS A 30 10.799 -12.265 10.505 1.00 0.00 N flip ATOM 0 H HIS A 30 6.259 -11.273 6.610 1.00 0.00 H new ATOM 0 HA HIS A 30 8.683 -12.534 6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.932 -10.681 7.461 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.423 -10.898 8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 30 11.071 -11.131 8.706 1.00 0.00 H new ATOM 0 HE1 HIS A 30 9.686 -13.421 11.977 1.00 0.00 H new ATOM 0 HE2 HIS A 30 11.738 -12.257 10.902 1.00 0.00 H new ATOM 429 N GLY A 31 6.662 -14.235 8.120 1.00 0.00 N ATOM 430 CA GLY A 31 6.457 -15.525 8.758 1.00 0.00 C ATOM 431 C GLY A 31 5.415 -16.350 8.002 1.00 0.00 C ATOM 432 O GLY A 31 4.497 -16.903 8.607 1.00 0.00 O ATOM 0 H GLY A 31 5.835 -13.639 8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.400 -16.070 8.796 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.132 -15.378 9.788 1.00 0.00 H new ATOM 436 N HIS A 32 5.590 -16.408 6.690 1.00 0.00 N ATOM 437 CA HIS A 32 4.676 -17.157 5.844 1.00 0.00 C ATOM 438 C HIS A 32 5.240 -17.238 4.424 1.00 0.00 C ATOM 439 O HIS A 32 5.686 -18.299 3.989 1.00 0.00 O ATOM 440 CB HIS A 32 3.272 -16.551 5.891 1.00 0.00 C ATOM 441 CG HIS A 32 2.275 -17.240 4.991 1.00 0.00 C ATOM 442 ND1 HIS A 32 1.180 -17.932 5.476 1.00 0.00 N ATOM 443 CD2 HIS A 32 2.219 -17.335 3.631 1.00 0.00 C ATOM 444 CE1 HIS A 32 0.502 -18.419 4.447 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.148 -18.048 3.304 1.00 0.00 N ATOM 0 H HIS A 32 6.352 -15.948 6.192 1.00 0.00 H new ATOM 0 HA HIS A 32 4.581 -18.176 6.218 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.906 -16.588 6.917 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.332 -15.499 5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.926 -16.903 2.938 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.403 -19.006 4.503 1.00 0.00 H new ATOM 0 HE2 HIS A 32 0.856 -18.280 2.355 1.00 0.00 H new ATOM 453 N THR A 33 5.202 -16.103 3.741 1.00 0.00 N ATOM 454 CA THR A 33 5.703 -16.032 2.379 1.00 0.00 C ATOM 455 C THR A 33 7.231 -16.111 2.369 1.00 0.00 C ATOM 456 O THR A 33 7.883 -15.713 3.333 1.00 0.00 O ATOM 457 CB THR A 33 5.156 -14.755 1.740 1.00 0.00 C ATOM 458 OG1 THR A 33 4.043 -15.201 0.970 1.00 0.00 O ATOM 459 CG2 THR A 33 6.113 -14.163 0.703 1.00 0.00 C ATOM 0 H THR A 33 4.832 -15.225 4.106 1.00 0.00 H new ATOM 0 HA THR A 33 5.361 -16.881 1.786 1.00 0.00 H new ATOM 0 HB THR A 33 4.960 -14.016 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.187 -14.978 0.027 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.677 -13.258 0.280 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.062 -13.919 1.181 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.283 -14.889 -0.092 1.00 0.00 H new ATOM 467 N LYS A 34 7.758 -16.626 1.268 1.00 0.00 N ATOM 468 CA LYS A 34 9.197 -16.761 1.119 1.00 0.00 C ATOM 469 C LYS A 34 9.883 -15.514 1.680 1.00 0.00 C ATOM 470 O LYS A 34 9.257 -14.463 1.812 1.00 0.00 O ATOM 471 CB LYS A 34 9.559 -17.060 -0.337 1.00 0.00 C ATOM 472 CG LYS A 34 8.667 -18.163 -0.909 1.00 0.00 C ATOM 473 CD LYS A 34 9.415 -18.983 -1.962 1.00 0.00 C ATOM 474 CE LYS A 34 9.241 -18.375 -3.355 1.00 0.00 C ATOM 475 NZ LYS A 34 8.614 -19.353 -4.273 1.00 0.00 N ATOM 0 H LYS A 34 7.214 -16.955 0.470 1.00 0.00 H new ATOM 0 HA LYS A 34 9.561 -17.612 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.453 -16.155 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.604 -17.363 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.331 -18.817 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.775 -17.721 -1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.475 -19.026 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.045 -20.008 -1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.624 -17.479 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.210 -18.068 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.503 -18.924 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.217 -20.197 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.680 -19.626 -3.905 1.00 0.00 H new ATOM 489 N LYS A 35 11.160 -15.671 1.996 1.00 0.00 N ATOM 490 CA LYS A 35 11.938 -14.571 2.540 1.00 0.00 C ATOM 491 C LYS A 35 12.284 -13.592 1.416 1.00 0.00 C ATOM 492 O LYS A 35 12.089 -12.386 1.557 1.00 0.00 O ATOM 493 CB LYS A 35 13.160 -15.100 3.293 1.00 0.00 C ATOM 494 CG LYS A 35 14.146 -13.970 3.599 1.00 0.00 C ATOM 495 CD LYS A 35 15.217 -13.868 2.511 1.00 0.00 C ATOM 496 CE LYS A 35 16.590 -13.572 3.119 1.00 0.00 C ATOM 497 NZ LYS A 35 16.552 -12.312 3.894 1.00 0.00 N ATOM 0 H LYS A 35 11.676 -16.544 1.886 1.00 0.00 H new ATOM 0 HA LYS A 35 11.354 -14.018 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.843 -15.572 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.654 -15.868 2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.609 -13.025 3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.619 -14.147 4.565 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.258 -14.800 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.950 -13.081 1.806 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.893 -14.395 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.336 -13.497 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.522 -12.019 4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.093 -11.570 3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.014 -12.460 4.772 1.00 0.00 H new ATOM 511 N GLN A 36 12.790 -14.148 0.325 1.00 0.00 N ATOM 512 CA GLN A 36 13.165 -13.339 -0.822 1.00 0.00 C ATOM 513 C GLN A 36 12.071 -12.315 -1.130 1.00 0.00 C ATOM 514 O GLN A 36 12.365 -11.169 -1.464 1.00 0.00 O ATOM 515 CB GLN A 36 13.453 -14.217 -2.041 1.00 0.00 C ATOM 516 CG GLN A 36 14.834 -14.868 -1.935 1.00 0.00 C ATOM 517 CD GLN A 36 15.908 -13.981 -2.568 1.00 0.00 C ATOM 518 OE1 GLN A 36 15.915 -12.770 -2.422 1.00 0.00 O ATOM 519 NE2 GLN A 36 16.812 -14.650 -3.278 1.00 0.00 N ATOM 0 H GLN A 36 12.949 -15.149 0.211 1.00 0.00 H new ATOM 0 HA GLN A 36 14.081 -12.801 -0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 36 12.689 -14.989 -2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.400 -13.615 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.076 -15.047 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.821 -15.839 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.747 -15.665 -3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.570 -14.148 -3.741 1.00 0.00 H new ATOM 528 N VAL A 37 10.831 -12.766 -1.007 1.00 0.00 N ATOM 529 CA VAL A 37 9.691 -11.904 -1.267 1.00 0.00 C ATOM 530 C VAL A 37 9.629 -10.811 -0.198 1.00 0.00 C ATOM 531 O VAL A 37 9.624 -9.624 -0.518 1.00 0.00 O ATOM 532 CB VAL A 37 8.411 -12.738 -1.346 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.179 -11.840 -1.477 1.00 0.00 C ATOM 534 CG2 VAL A 37 8.482 -13.744 -2.496 1.00 0.00 C ATOM 0 H VAL A 37 10.591 -13.718 -0.730 1.00 0.00 H new ATOM 0 HA VAL A 37 9.799 -11.408 -2.232 1.00 0.00 H new ATOM 0 HB VAL A 37 8.319 -13.299 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.283 -12.458 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.114 -11.182 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.261 -11.239 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.560 -14.324 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.610 -13.211 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.327 -14.415 -2.341 1.00 0.00 H new ATOM 544 N CYS A 38 9.582 -11.252 1.051 1.00 0.00 N ATOM 545 CA CYS A 38 9.520 -10.327 2.169 1.00 0.00 C ATOM 546 C CYS A 38 10.588 -9.251 1.963 1.00 0.00 C ATOM 547 O CYS A 38 10.272 -8.066 1.874 1.00 0.00 O ATOM 548 CB CYS A 38 9.686 -11.047 3.509 1.00 0.00 C ATOM 549 SG CYS A 38 9.842 -9.824 4.861 1.00 0.00 S ATOM 0 H CYS A 38 9.586 -12.238 1.313 1.00 0.00 H new ATOM 0 HA CYS A 38 8.536 -9.859 2.202 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.829 -11.696 3.691 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.569 -11.685 3.481 1.00 0.00 H new ATOM 0 HG CYS A 38 10.575 -10.320 5.813 1.00 0.00 H new ATOM 555 N ASP A 39 11.831 -9.703 1.892 1.00 0.00 N ATOM 556 CA ASP A 39 12.948 -8.794 1.698 1.00 0.00 C ATOM 557 C ASP A 39 12.618 -7.823 0.563 1.00 0.00 C ATOM 558 O ASP A 39 13.041 -6.668 0.587 1.00 0.00 O ATOM 559 CB ASP A 39 14.218 -9.556 1.313 1.00 0.00 C ATOM 560 CG ASP A 39 15.526 -8.907 1.769 1.00 0.00 C ATOM 561 OD1 ASP A 39 15.493 -8.255 2.835 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.528 -9.076 1.042 1.00 0.00 O ATOM 0 H ASP A 39 12.090 -10.687 1.965 1.00 0.00 H new ATOM 0 HA ASP A 39 13.116 -8.262 2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.162 -10.560 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.243 -9.665 0.229 1.00 0.00 H new ATOM 567 N ASP A 40 11.865 -8.326 -0.404 1.00 0.00 N ATOM 568 CA ASP A 40 11.473 -7.517 -1.545 1.00 0.00 C ATOM 569 C ASP A 40 10.397 -6.519 -1.112 1.00 0.00 C ATOM 570 O ASP A 40 10.635 -5.312 -1.094 1.00 0.00 O ATOM 571 CB ASP A 40 10.890 -8.385 -2.662 1.00 0.00 C ATOM 572 CG ASP A 40 11.194 -7.902 -4.082 1.00 0.00 C ATOM 573 OD1 ASP A 40 10.524 -6.937 -4.508 1.00 0.00 O ATOM 574 OD2 ASP A 40 12.088 -8.510 -4.709 1.00 0.00 O ATOM 0 H ASP A 40 11.516 -9.284 -0.421 1.00 0.00 H new ATOM 0 HA ASP A 40 12.360 -7.003 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.272 -9.400 -2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.809 -8.436 -2.535 1.00 0.00 H new ATOM 579 N ILE A 41 9.235 -7.060 -0.774 1.00 0.00 N ATOM 580 CA ILE A 41 8.122 -6.232 -0.342 1.00 0.00 C ATOM 581 C ILE A 41 8.628 -5.181 0.649 1.00 0.00 C ATOM 582 O ILE A 41 8.415 -3.986 0.454 1.00 0.00 O ATOM 583 CB ILE A 41 6.989 -7.101 0.207 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.276 -7.850 -0.920 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.018 -6.270 1.047 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.841 -9.244 -0.464 1.00 0.00 C ATOM 0 H ILE A 41 9.041 -8.061 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 41 7.697 -5.693 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 41 7.424 -7.852 0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.404 -7.281 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.939 -7.936 -1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.222 -6.912 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.553 -5.823 1.885 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.586 -5.482 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.337 -9.754 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.717 -9.818 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.159 -9.154 0.381 1.00 0.00 H new ATOM 598 N SER A 42 9.287 -5.666 1.691 1.00 0.00 N ATOM 599 CA SER A 42 9.825 -4.784 2.713 1.00 0.00 C ATOM 600 C SER A 42 10.616 -3.649 2.060 1.00 0.00 C ATOM 601 O SER A 42 10.409 -2.479 2.381 1.00 0.00 O ATOM 602 CB SER A 42 10.711 -5.554 3.694 1.00 0.00 C ATOM 603 OG SER A 42 11.818 -6.172 3.042 1.00 0.00 O ATOM 0 H SER A 42 9.461 -6.659 1.850 1.00 0.00 H new ATOM 0 HA SER A 42 8.992 -4.361 3.274 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.077 -4.874 4.463 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.116 -6.315 4.199 1.00 0.00 H new ATOM 0 HG SER A 42 11.523 -7.001 2.611 1.00 0.00 H new ATOM 609 N ARG A 43 11.506 -4.033 1.157 1.00 0.00 N ATOM 610 CA ARG A 43 12.329 -3.062 0.457 1.00 0.00 C ATOM 611 C ARG A 43 11.456 -1.951 -0.130 1.00 0.00 C ATOM 612 O ARG A 43 11.916 -0.823 -0.307 1.00 0.00 O ATOM 613 CB ARG A 43 13.125 -3.724 -0.669 1.00 0.00 C ATOM 614 CG ARG A 43 14.622 -3.728 -0.353 1.00 0.00 C ATOM 615 CD ARG A 43 15.419 -3.037 -1.462 1.00 0.00 C ATOM 616 NE ARG A 43 16.543 -2.273 -0.877 1.00 0.00 N ATOM 617 CZ ARG A 43 17.482 -1.647 -1.599 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.437 -1.689 -2.937 1.00 0.00 N ATOM 619 NH2 ARG A 43 18.466 -0.978 -0.982 1.00 0.00 N ATOM 0 H ARG A 43 11.675 -5.004 0.894 1.00 0.00 H new ATOM 0 HA ARG A 43 13.027 -2.638 1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.777 -4.747 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.949 -3.193 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.798 -3.221 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.970 -4.754 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.799 -3.779 -2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.769 -2.368 -2.026 1.00 0.00 H new ATOM 0 HE ARG A 43 16.607 -2.220 0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.688 -2.198 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.152 -1.212 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.500 -0.946 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.181 -0.501 -1.531 1.00 0.00 H new ATOM 633 N ARG A 44 10.213 -2.308 -0.415 1.00 0.00 N ATOM 634 CA ARG A 44 9.271 -1.355 -0.979 1.00 0.00 C ATOM 635 C ARG A 44 8.710 -0.451 0.120 1.00 0.00 C ATOM 636 O ARG A 44 8.662 0.768 -0.039 1.00 0.00 O ATOM 637 CB ARG A 44 8.115 -2.072 -1.680 1.00 0.00 C ATOM 638 CG ARG A 44 8.634 -3.185 -2.593 1.00 0.00 C ATOM 639 CD ARG A 44 9.429 -2.607 -3.765 1.00 0.00 C ATOM 640 NE ARG A 44 10.667 -3.391 -3.972 1.00 0.00 N ATOM 641 CZ ARG A 44 11.584 -3.115 -4.910 1.00 0.00 C ATOM 642 NH1 ARG A 44 11.407 -2.072 -5.732 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.677 -3.881 -5.025 1.00 0.00 N ATOM 0 H ARG A 44 9.836 -3.244 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 44 9.807 -0.752 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.438 -2.493 -0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.539 -1.355 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.265 -3.865 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.796 -3.771 -2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.822 -2.624 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.678 -1.564 -3.567 1.00 0.00 H new ATOM 0 HE ARG A 44 10.833 -4.192 -3.363 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.575 -1.489 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.104 -1.861 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.812 -4.675 -4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.374 -3.671 -5.739 1.00 0.00 H new ATOM 657 N LEU A 45 8.300 -1.082 1.210 1.00 0.00 N ATOM 658 CA LEU A 45 7.744 -0.349 2.335 1.00 0.00 C ATOM 659 C LEU A 45 8.711 0.764 2.741 1.00 0.00 C ATOM 660 O LEU A 45 8.317 1.924 2.850 1.00 0.00 O ATOM 661 CB LEU A 45 7.392 -1.306 3.476 1.00 0.00 C ATOM 662 CG LEU A 45 6.542 -2.520 3.096 1.00 0.00 C ATOM 663 CD1 LEU A 45 5.978 -3.206 4.342 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.441 -2.130 2.109 1.00 0.00 C ATOM 0 H LEU A 45 8.342 -2.093 1.338 1.00 0.00 H new ATOM 0 HA LEU A 45 6.807 0.131 2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.320 -1.663 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.863 -0.743 4.245 1.00 0.00 H new ATOM 0 HG LEU A 45 7.184 -3.243 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.378 -4.066 4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.799 -3.539 4.977 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.355 -2.502 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.851 -3.011 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.795 -1.379 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.891 -1.722 1.204 1.00 0.00 H new ATOM 676 N ALA A 46 9.959 0.372 2.954 1.00 0.00 N ATOM 677 CA ALA A 46 10.985 1.322 3.346 1.00 0.00 C ATOM 678 C ALA A 46 10.902 2.556 2.446 1.00 0.00 C ATOM 679 O ALA A 46 11.027 3.685 2.920 1.00 0.00 O ATOM 680 CB ALA A 46 12.357 0.647 3.284 1.00 0.00 C ATOM 0 H ALA A 46 10.282 -0.591 2.862 1.00 0.00 H new ATOM 0 HA ALA A 46 10.830 1.652 4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.127 1.360 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.374 -0.206 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.549 0.305 2.267 1.00 0.00 H new ATOM 686 N LEU A 47 10.691 2.301 1.163 1.00 0.00 N ATOM 687 CA LEU A 47 10.590 3.377 0.192 1.00 0.00 C ATOM 688 C LEU A 47 9.255 4.101 0.378 1.00 0.00 C ATOM 689 O LEU A 47 9.219 5.326 0.487 1.00 0.00 O ATOM 690 CB LEU A 47 10.807 2.843 -1.225 1.00 0.00 C ATOM 691 CG LEU A 47 11.306 3.858 -2.255 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.629 3.175 -3.586 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.305 5.003 -2.426 1.00 0.00 C ATOM 0 H LEU A 47 10.587 1.364 0.773 1.00 0.00 H new ATOM 0 HA LEU A 47 11.378 4.112 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.523 2.022 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.866 2.425 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 47 12.233 4.294 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.982 3.919 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.404 2.425 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.732 2.694 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.684 5.710 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.349 4.603 -2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.168 5.512 -1.472 1.00 0.00 H new ATOM 705 N LEU A 48 8.190 3.314 0.409 1.00 0.00 N ATOM 706 CA LEU A 48 6.856 3.865 0.580 1.00 0.00 C ATOM 707 C LEU A 48 6.885 4.928 1.679 1.00 0.00 C ATOM 708 O LEU A 48 6.504 6.075 1.448 1.00 0.00 O ATOM 709 CB LEU A 48 5.843 2.747 0.833 1.00 0.00 C ATOM 710 CG LEU A 48 4.564 3.154 1.567 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.880 4.330 0.867 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.623 1.959 1.733 1.00 0.00 C ATOM 0 H LEU A 48 8.223 2.299 0.319 1.00 0.00 H new ATOM 0 HA LEU A 48 6.528 4.360 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.565 2.312 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.334 1.962 1.408 1.00 0.00 H new ATOM 0 HG LEU A 48 4.837 3.490 2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.974 4.599 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.557 5.184 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.622 4.046 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.722 2.276 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.353 1.569 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.123 1.180 2.308 1.00 0.00 H new ATOM 724 N ARG A 49 7.342 4.511 2.850 1.00 0.00 N ATOM 725 CA ARG A 49 7.426 5.413 3.986 1.00 0.00 C ATOM 726 C ARG A 49 8.300 6.620 3.641 1.00 0.00 C ATOM 727 O ARG A 49 7.881 7.764 3.814 1.00 0.00 O ATOM 728 CB ARG A 49 8.007 4.705 5.211 1.00 0.00 C ATOM 729 CG ARG A 49 8.155 5.673 6.386 1.00 0.00 C ATOM 730 CD ARG A 49 9.567 5.614 6.971 1.00 0.00 C ATOM 731 NE ARG A 49 10.015 6.972 7.352 1.00 0.00 N ATOM 732 CZ ARG A 49 11.238 7.257 7.819 1.00 0.00 C ATOM 733 NH1 ARG A 49 12.143 6.280 7.966 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.556 8.519 8.139 1.00 0.00 N ATOM 0 H ARG A 49 7.658 3.560 3.037 1.00 0.00 H new ATOM 0 HA ARG A 49 6.415 5.746 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.359 3.876 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.979 4.279 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.937 6.688 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.427 5.426 7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.581 4.960 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.254 5.187 6.241 1.00 0.00 H new ATOM 0 HE ARG A 49 9.351 7.740 7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.901 5.320 7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.074 6.497 8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.867 9.263 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.487 8.736 8.495 1.00 0.00 H new ATOM 748 N GLU A 50 9.498 6.325 3.159 1.00 0.00 N ATOM 749 CA GLU A 50 10.435 7.372 2.788 1.00 0.00 C ATOM 750 C GLU A 50 9.758 8.386 1.864 1.00 0.00 C ATOM 751 O GLU A 50 9.796 9.588 2.122 1.00 0.00 O ATOM 752 CB GLU A 50 11.685 6.782 2.133 1.00 0.00 C ATOM 753 CG GLU A 50 12.618 6.173 3.182 1.00 0.00 C ATOM 754 CD GLU A 50 13.849 5.546 2.523 1.00 0.00 C ATOM 755 OE1 GLU A 50 13.645 4.655 1.672 1.00 0.00 O ATOM 756 OE2 GLU A 50 14.966 5.974 2.887 1.00 0.00 O ATOM 0 H GLU A 50 9.842 5.375 3.017 1.00 0.00 H new ATOM 0 HA GLU A 50 10.750 7.889 3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.396 6.018 1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.212 7.560 1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.931 6.943 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.082 5.416 3.755 1.00 0.00 H new ATOM 763 N GLN A 51 9.155 7.864 0.806 1.00 0.00 N ATOM 764 CA GLN A 51 8.471 8.710 -0.158 1.00 0.00 C ATOM 765 C GLN A 51 7.297 9.430 0.507 1.00 0.00 C ATOM 766 O GLN A 51 7.034 10.596 0.216 1.00 0.00 O ATOM 767 CB GLN A 51 8.003 7.895 -1.366 1.00 0.00 C ATOM 768 CG GLN A 51 8.845 8.214 -2.602 1.00 0.00 C ATOM 769 CD GLN A 51 7.977 8.254 -3.862 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.179 9.153 -4.069 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.177 7.232 -4.689 1.00 0.00 N ATOM 0 H GLN A 51 9.126 6.866 0.595 1.00 0.00 H new ATOM 0 HA GLN A 51 9.174 9.461 -0.518 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.071 6.831 -1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.954 8.111 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.343 9.174 -2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.626 7.463 -2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.861 6.513 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.646 7.167 -5.558 1.00 0.00 H new ATOM 780 N TRP A 52 6.621 8.706 1.387 1.00 0.00 N ATOM 781 CA TRP A 52 5.481 9.261 2.095 1.00 0.00 C ATOM 782 C TRP A 52 5.988 10.383 3.002 1.00 0.00 C ATOM 783 O TRP A 52 5.677 11.553 2.783 1.00 0.00 O ATOM 784 CB TRP A 52 4.725 8.171 2.858 1.00 0.00 C ATOM 785 CG TRP A 52 3.449 8.663 3.545 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.300 9.730 4.341 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.141 8.058 3.463 1.00 0.00 C ATOM 788 NE1 TRP A 52 1.996 9.857 4.777 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.270 8.808 4.226 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.709 6.915 2.767 1.00 0.00 C ATOM 791 CZ2 TRP A 52 -0.088 8.498 4.366 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.349 6.619 2.917 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.541 7.363 3.681 1.00 0.00 C ATOM 0 H TRP A 52 6.842 7.739 1.626 1.00 0.00 H new ATOM 0 HA TRP A 52 4.759 9.680 1.394 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.467 7.370 2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.388 7.742 3.610 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.099 10.406 4.608 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.633 10.586 5.390 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.374 6.313 2.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.750 9.101 4.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.035 5.751 2.402 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.578 7.068 3.747 1.00 0.00 H new ATOM 804 N ALA A 53 6.762 9.988 4.003 1.00 0.00 N ATOM 805 CA ALA A 53 7.316 10.946 4.944 1.00 0.00 C ATOM 806 C ALA A 53 7.945 12.108 4.172 1.00 0.00 C ATOM 807 O ALA A 53 7.563 13.262 4.361 1.00 0.00 O ATOM 808 CB ALA A 53 8.321 10.242 5.858 1.00 0.00 C ATOM 0 H ALA A 53 7.018 9.017 4.182 1.00 0.00 H new ATOM 0 HA ALA A 53 6.531 11.358 5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.737 10.961 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.818 9.445 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.125 9.818 5.256 1.00 0.00 H new ATOM 814 N GLY A 54 8.898 11.763 3.319 1.00 0.00 N ATOM 815 CA GLY A 54 9.583 12.763 2.518 1.00 0.00 C ATOM 816 C GLY A 54 8.589 13.756 1.913 1.00 0.00 C ATOM 817 O GLY A 54 8.948 14.894 1.612 1.00 0.00 O ATOM 0 H GLY A 54 9.212 10.805 3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.305 13.297 3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.144 12.274 1.722 1.00 0.00 H new ATOM 821 N GLY A 55 7.359 13.291 1.754 1.00 0.00 N ATOM 822 CA GLY A 55 6.311 14.124 1.190 1.00 0.00 C ATOM 823 C GLY A 55 6.323 14.063 -0.338 1.00 0.00 C ATOM 824 O GLY A 55 5.684 14.878 -1.001 1.00 0.00 O ATOM 0 H GLY A 55 7.065 12.348 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.341 13.796 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.446 15.155 1.517 1.00 0.00 H new ATOM 828 N LYS A 56 7.058 13.089 -0.854 1.00 0.00 N ATOM 829 CA LYS A 56 7.163 12.910 -2.292 1.00 0.00 C ATOM 830 C LYS A 56 5.821 12.421 -2.840 1.00 0.00 C ATOM 831 O LYS A 56 5.608 12.409 -4.051 1.00 0.00 O ATOM 832 CB LYS A 56 8.338 11.993 -2.634 1.00 0.00 C ATOM 833 CG LYS A 56 9.602 12.806 -2.925 1.00 0.00 C ATOM 834 CD LYS A 56 9.607 13.312 -4.369 1.00 0.00 C ATOM 835 CE LYS A 56 10.987 13.849 -4.756 1.00 0.00 C ATOM 836 NZ LYS A 56 11.252 13.608 -6.192 1.00 0.00 N ATOM 0 H LYS A 56 7.587 12.415 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 56 7.379 13.861 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.524 11.310 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.087 11.382 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.661 13.651 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.484 12.190 -2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.325 12.503 -5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.861 14.098 -4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.041 14.917 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.755 13.365 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.192 13.978 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.221 12.586 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.529 14.090 -6.764 1.00 0.00 H new ATOM 850 N LEU A 57 4.951 12.028 -1.921 1.00 0.00 N ATOM 851 CA LEU A 57 3.635 11.539 -2.296 1.00 0.00 C ATOM 852 C LEU A 57 2.644 12.705 -2.302 1.00 0.00 C ATOM 853 O LEU A 57 2.873 13.721 -1.648 1.00 0.00 O ATOM 854 CB LEU A 57 3.216 10.380 -1.390 1.00 0.00 C ATOM 855 CG LEU A 57 4.169 9.184 -1.345 1.00 0.00 C ATOM 856 CD1 LEU A 57 3.772 8.207 -0.236 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.252 8.498 -2.710 1.00 0.00 C ATOM 0 H LEU A 57 5.132 12.038 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 57 3.654 11.132 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.097 10.762 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.237 10.027 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 57 5.167 9.552 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.466 7.366 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.806 8.717 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.761 7.841 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.936 7.651 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.262 8.146 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.617 9.208 -3.452 1.00 0.00 H new ATOM 869 N SER A 58 1.565 12.519 -3.048 1.00 0.00 N ATOM 870 CA SER A 58 0.539 13.542 -3.147 1.00 0.00 C ATOM 871 C SER A 58 -0.500 13.351 -2.040 1.00 0.00 C ATOM 872 O SER A 58 -0.578 12.283 -1.436 1.00 0.00 O ATOM 873 CB SER A 58 -0.137 13.513 -4.520 1.00 0.00 C ATOM 874 OG SER A 58 0.784 13.201 -5.562 1.00 0.00 O ATOM 0 H SER A 58 1.379 11.675 -3.590 1.00 0.00 H new ATOM 0 HA SER A 58 1.014 14.515 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.940 12.776 -4.513 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.595 14.482 -4.719 1.00 0.00 H new ATOM 0 HG SER A 58 0.314 13.190 -6.422 1.00 0.00 H new ATOM 880 N ILE A 59 -1.271 14.404 -1.808 1.00 0.00 N ATOM 881 CA ILE A 59 -2.301 14.365 -0.785 1.00 0.00 C ATOM 882 C ILE A 59 -3.326 13.286 -1.140 1.00 0.00 C ATOM 883 O ILE A 59 -3.720 12.494 -0.285 1.00 0.00 O ATOM 884 CB ILE A 59 -2.913 15.754 -0.588 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.989 16.647 0.243 1.00 0.00 C ATOM 886 CG2 ILE A 59 -4.314 15.655 0.020 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.951 18.069 -0.320 1.00 0.00 C ATOM 0 H ILE A 59 -1.202 15.289 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.871 14.092 0.179 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.019 16.223 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.333 16.670 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.983 16.228 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.726 16.656 0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.959 15.080 -0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.256 15.158 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.287 18.684 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.584 18.044 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.955 18.494 -0.304 1.00 0.00 H new ATOM 899 N PRO A 60 -3.740 13.290 -2.435 1.00 0.00 N ATOM 900 CA PRO A 60 -4.712 12.321 -2.913 1.00 0.00 C ATOM 901 C PRO A 60 -4.072 10.942 -3.085 1.00 0.00 C ATOM 902 O PRO A 60 -4.753 9.976 -3.427 1.00 0.00 O ATOM 903 CB PRO A 60 -5.235 12.900 -4.218 1.00 0.00 C ATOM 904 CG PRO A 60 -4.209 13.933 -4.657 1.00 0.00 C ATOM 905 CD PRO A 60 -3.295 14.213 -3.475 1.00 0.00 C ATOM 0 HA PRO A 60 -5.528 12.160 -2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.352 12.121 -4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.214 13.357 -4.078 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.633 13.563 -5.505 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.704 14.848 -4.982 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.250 14.044 -3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.378 15.249 -3.147 1.00 0.00 H new ATOM 913 N VAL A 61 -2.771 10.894 -2.841 1.00 0.00 N ATOM 914 CA VAL A 61 -2.032 9.649 -2.965 1.00 0.00 C ATOM 915 C VAL A 61 -2.022 8.931 -1.614 1.00 0.00 C ATOM 916 O VAL A 61 -1.964 7.703 -1.561 1.00 0.00 O ATOM 917 CB VAL A 61 -0.627 9.926 -3.505 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.329 8.783 -3.157 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.659 10.175 -5.014 1.00 0.00 C ATOM 0 H VAL A 61 -2.209 11.697 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.517 8.987 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.255 10.831 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.320 9.005 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.386 8.673 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.038 7.855 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.352 10.369 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.061 9.297 -5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.291 11.037 -5.227 1.00 0.00 H new ATOM 929 N LYS A 62 -2.079 9.726 -0.556 1.00 0.00 N ATOM 930 CA LYS A 62 -2.078 9.181 0.791 1.00 0.00 C ATOM 931 C LYS A 62 -3.503 8.779 1.175 1.00 0.00 C ATOM 932 O LYS A 62 -3.709 7.755 1.824 1.00 0.00 O ATOM 933 CB LYS A 62 -1.432 10.167 1.767 1.00 0.00 C ATOM 934 CG LYS A 62 -0.127 10.726 1.198 1.00 0.00 C ATOM 935 CD LYS A 62 0.206 12.084 1.821 1.00 0.00 C ATOM 936 CE LYS A 62 1.306 12.795 1.030 1.00 0.00 C ATOM 937 NZ LYS A 62 0.868 14.154 0.640 1.00 0.00 N ATOM 0 H LYS A 62 -2.126 10.744 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.469 8.278 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.122 10.985 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.235 9.668 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.686 10.026 1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.213 10.829 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.689 12.706 1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.527 11.946 2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.213 12.857 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.554 12.217 0.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.036 14.295 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.146 14.263 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.406 14.861 1.181 1.00 0.00 H new ATOM 951 N LYS A 63 -4.450 9.607 0.758 1.00 0.00 N ATOM 952 CA LYS A 63 -5.850 9.351 1.051 1.00 0.00 C ATOM 953 C LYS A 63 -6.282 8.056 0.359 1.00 0.00 C ATOM 954 O LYS A 63 -7.046 7.273 0.921 1.00 0.00 O ATOM 955 CB LYS A 63 -6.706 10.563 0.678 1.00 0.00 C ATOM 956 CG LYS A 63 -6.959 11.451 1.898 1.00 0.00 C ATOM 957 CD LYS A 63 -6.099 12.716 1.843 1.00 0.00 C ATOM 958 CE LYS A 63 -4.695 12.448 2.388 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.768 11.873 3.750 1.00 0.00 N ATOM 0 H LYS A 63 -4.275 10.456 0.220 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.995 9.205 2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.206 11.141 -0.099 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.657 10.228 0.264 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.013 11.725 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.737 10.895 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.032 13.070 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.573 13.508 2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.166 11.763 1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.123 13.376 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.863 12.024 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.531 12.338 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.962 10.853 3.686 1.00 0.00 H new ATOM 973 N ARG A 64 -5.775 7.872 -0.851 1.00 0.00 N ATOM 974 CA ARG A 64 -6.099 6.686 -1.625 1.00 0.00 C ATOM 975 C ARG A 64 -5.345 5.472 -1.078 1.00 0.00 C ATOM 976 O ARG A 64 -5.750 4.332 -1.302 1.00 0.00 O ATOM 977 CB ARG A 64 -5.742 6.877 -3.101 1.00 0.00 C ATOM 978 CG ARG A 64 -6.981 6.740 -3.987 1.00 0.00 C ATOM 979 CD ARG A 64 -7.212 8.010 -4.808 1.00 0.00 C ATOM 980 NE ARG A 64 -8.662 8.239 -4.990 1.00 0.00 N ATOM 981 CZ ARG A 64 -9.182 9.297 -5.627 1.00 0.00 C ATOM 982 NH1 ARG A 64 -8.373 10.230 -6.146 1.00 0.00 N ATOM 983 NH2 ARG A 64 -10.511 9.422 -5.744 1.00 0.00 N ATOM 0 H ARG A 64 -5.142 8.524 -1.314 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.173 6.519 -1.541 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.294 7.860 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.996 6.140 -3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.862 5.887 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.855 6.539 -3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.761 8.865 -4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.725 7.919 -5.779 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.307 7.548 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.361 10.135 -6.056 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.769 11.035 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.127 8.712 -5.348 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.907 10.227 -6.229 1.00 0.00 H new ATOM 997 N MET A 65 -4.261 5.758 -0.371 1.00 0.00 N ATOM 998 CA MET A 65 -3.447 4.704 0.210 1.00 0.00 C ATOM 999 C MET A 65 -4.130 4.097 1.437 1.00 0.00 C ATOM 1000 O MET A 65 -4.339 2.887 1.501 1.00 0.00 O ATOM 1001 CB MET A 65 -2.085 5.273 0.612 1.00 0.00 C ATOM 1002 CG MET A 65 -0.973 4.712 -0.276 1.00 0.00 C ATOM 1003 SD MET A 65 0.187 3.782 0.713 1.00 0.00 S ATOM 1004 CE MET A 65 -0.722 2.258 0.905 1.00 0.00 C ATOM 0 H MET A 65 -3.928 6.704 -0.188 1.00 0.00 H new ATOM 0 HA MET A 65 -3.317 3.919 -0.535 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.104 6.360 0.534 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.879 5.031 1.655 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.401 4.072 -1.048 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.458 5.526 -0.786 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.915 2.080 1.963 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.669 2.330 0.371 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.138 1.432 0.499 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.458 4.966 2.382 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.112 4.532 3.605 1.00 0.00 C ATOM 1016 C ALA A 66 -6.342 3.694 3.249 1.00 0.00 C ATOM 1017 O ALA A 66 -6.653 2.720 3.933 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.465 5.752 4.457 1.00 0.00 C ATOM 0 H ALA A 66 -4.283 5.969 2.325 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.444 3.905 4.196 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.956 5.426 5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.555 6.297 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.137 6.404 3.898 1.00 0.00 H new ATOM 1024 N LEU A 67 -7.008 4.103 2.180 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.197 3.402 1.725 1.00 0.00 C ATOM 1026 C LEU A 67 -7.855 1.931 1.483 1.00 0.00 C ATOM 1027 O LEU A 67 -8.363 1.050 2.176 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.798 4.103 0.505 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.599 5.376 0.789 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -10.228 5.925 -0.493 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.641 5.136 1.882 1.00 0.00 C ATOM 0 H LEU A 67 -6.747 4.911 1.615 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.971 3.427 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.989 4.352 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.448 3.397 -0.012 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.912 6.136 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.791 6.829 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.443 6.159 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.898 5.178 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.196 6.056 2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.330 4.354 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.141 4.826 2.800 1.00 0.00 H new ATOM 1043 N LEU A 68 -6.998 1.710 0.498 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.582 0.360 0.156 1.00 0.00 C ATOM 1045 C LEU A 68 -6.222 -0.398 1.436 1.00 0.00 C ATOM 1046 O LEU A 68 -6.557 -1.572 1.581 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.454 0.392 -0.877 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.318 -0.610 -0.662 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -3.480 -0.770 -1.932 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.463 -0.218 0.544 1.00 0.00 C ATOM 0 H LEU A 68 -6.580 2.443 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.401 -0.182 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.886 0.216 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.029 1.396 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.757 -1.583 -0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.680 -1.488 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.113 -1.129 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.049 0.193 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.663 -0.946 0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.032 0.769 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.084 -0.197 1.439 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.544 0.306 2.331 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.135 -0.286 3.594 1.00 0.00 C ATOM 1064 C VAL A 69 -6.378 -0.694 4.387 1.00 0.00 C ATOM 1065 O VAL A 69 -6.540 -1.862 4.737 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.231 0.683 4.357 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -3.958 0.178 5.775 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -2.923 0.924 3.600 1.00 0.00 C ATOM 0 H VAL A 69 -5.268 1.280 2.207 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.549 -1.189 3.421 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.754 1.636 4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.313 0.886 6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.900 0.081 6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.466 -0.794 5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.298 1.617 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.395 -0.022 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.142 1.349 2.620 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.225 0.291 4.648 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.448 0.049 5.393 1.00 0.00 C ATOM 1080 C GLN A 70 -9.140 -1.216 4.882 1.00 0.00 C ATOM 1081 O GLN A 70 -9.716 -1.972 5.663 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.385 1.256 5.317 1.00 0.00 C ATOM 1083 CG GLN A 70 -8.838 2.428 6.135 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.009 2.175 7.635 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -7.897 1.775 8.245 1.00 0.00 O flip ATOM 1086 NE2 GLN A 70 -10.078 2.334 8.199 1.00 0.00 N flip ATOM 0 H GLN A 70 -7.088 1.259 4.356 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.188 -0.101 6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.509 1.560 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.372 0.979 5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.783 2.576 5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.357 3.345 5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.893 2.643 7.669 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.157 2.158 9.201 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.061 -1.407 3.573 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.673 -2.567 2.948 1.00 0.00 C ATOM 1097 C GLU A 71 -8.928 -3.842 3.351 1.00 0.00 C ATOM 1098 O GLU A 71 -9.544 -4.812 3.788 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.711 -2.413 1.426 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.317 -1.066 1.026 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.842 -1.157 0.935 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.405 -2.003 1.662 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.410 -0.377 0.141 1.00 0.00 O ATOM 0 H GLU A 71 -8.582 -0.778 2.928 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.702 -2.644 3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.702 -2.496 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.296 -3.223 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.037 -0.306 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.910 -0.751 0.065 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.614 -3.797 3.190 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.779 -4.936 3.532 1.00 0.00 C ATOM 1112 C LEU A 72 -7.053 -5.347 4.980 1.00 0.00 C ATOM 1113 O LEU A 72 -6.828 -6.497 5.356 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.308 -4.627 3.248 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.382 -5.837 3.115 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.388 -5.643 1.968 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.677 -6.137 4.439 1.00 0.00 C ATOM 0 H LEU A 72 -7.107 -2.990 2.827 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.027 -5.792 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.250 -4.047 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.930 -3.991 4.049 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.991 -6.707 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.741 -6.517 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.932 -5.515 1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.781 -4.758 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.025 -7.002 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.082 -5.274 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.421 -6.349 5.207 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.535 -4.386 5.754 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.842 -4.633 7.152 1.00 0.00 C ATOM 1131 C LEU A 73 -9.120 -5.468 7.249 1.00 0.00 C ATOM 1132 O LEU A 73 -9.176 -6.439 8.003 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.908 -3.316 7.927 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.583 -2.570 8.096 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.822 -1.103 8.461 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.683 -3.274 9.114 1.00 0.00 C ATOM 0 H LEU A 73 -7.721 -3.434 5.439 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.046 -5.212 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.612 -2.655 7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.316 -3.520 8.917 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.060 -2.583 7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.864 -0.596 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.396 -0.620 7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.376 -1.047 9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.748 -2.723 9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.187 -3.313 10.080 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.472 -4.288 8.773 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.115 -5.061 6.475 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.389 -5.760 6.464 1.00 0.00 C ATOM 1150 C HIS A 74 -11.268 -7.036 5.629 1.00 0.00 C ATOM 1151 O HIS A 74 -12.223 -7.802 5.516 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.511 -4.839 5.980 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.073 -3.939 7.054 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.375 -4.044 7.514 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.499 -2.920 7.754 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.564 -3.123 8.447 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.400 -2.427 8.595 1.00 0.00 N ATOM 0 H HIS A 74 -10.065 -4.256 5.851 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.653 -6.056 7.479 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.134 -4.222 5.164 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.317 -5.449 5.573 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -11.483 -2.572 7.643 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.479 -2.953 8.995 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.247 -1.655 9.244 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.084 -7.225 5.064 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.825 -8.394 4.242 1.00 0.00 C ATOM 1167 C HIS A 75 -10.189 -8.090 2.787 1.00 0.00 C ATOM 1168 O HIS A 75 -9.927 -8.897 1.896 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.559 -9.619 4.793 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.608 -9.678 6.301 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.737 -10.068 6.999 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.656 -9.395 7.235 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -11.466 -10.016 8.295 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -10.176 -9.598 8.440 1.00 0.00 N ATOM 0 H HIS A 75 -9.294 -6.588 5.160 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.762 -8.635 4.271 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.578 -9.624 4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.072 -10.520 4.420 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.649 -9.062 7.030 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -12.147 -10.262 9.096 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.691 -9.464 9.327 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.786 -6.924 2.592 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.188 -6.503 1.260 1.00 0.00 C ATOM 1184 C GLN A 76 -9.959 -6.317 0.368 1.00 0.00 C ATOM 1185 O GLN A 76 -9.454 -5.204 0.226 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.022 -5.222 1.319 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.401 -5.492 1.925 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.412 -5.870 0.841 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.497 -5.252 -0.208 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.172 -6.916 1.152 1.00 0.00 N ATOM 0 H GLN A 76 -11.001 -6.257 3.333 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.812 -7.284 0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.501 -4.472 1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.136 -4.812 0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.329 -6.297 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.748 -4.607 2.458 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.048 -7.388 2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -15.878 -7.247 0.495 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.513 -7.423 -0.208 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.352 -7.396 -1.082 1.00 0.00 C ATOM 1201 C TRP A 77 -8.805 -6.889 -2.453 1.00 0.00 C ATOM 1202 O TRP A 77 -8.024 -6.277 -3.181 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.681 -8.769 -1.145 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.999 -9.673 0.048 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.949 -10.614 0.139 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.325 -9.682 1.324 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.936 -11.227 1.376 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.917 -10.642 2.119 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.251 -8.905 1.791 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.503 -10.914 3.429 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.849 -9.189 3.102 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.435 -10.152 3.915 1.00 0.00 C ATOM 0 H TRP A 77 -9.934 -8.344 -0.087 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.592 -6.718 -0.693 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.991 -9.272 -2.061 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.601 -8.632 -1.206 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.638 -10.862 -0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.559 -11.972 1.687 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.773 -8.148 1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.982 -11.671 4.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.026 -8.620 3.510 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.067 -10.311 4.918 1.00 0.00 H new ATOM 1223 N ASP A 78 -10.064 -7.161 -2.763 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.629 -6.740 -4.034 1.00 0.00 C ATOM 1225 C ASP A 78 -10.661 -5.211 -4.091 1.00 0.00 C ATOM 1226 O ASP A 78 -10.538 -4.624 -5.165 1.00 0.00 O ATOM 1227 CB ASP A 78 -12.063 -7.249 -4.195 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.483 -7.554 -5.634 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -11.883 -8.483 -6.215 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.396 -6.851 -6.119 1.00 0.00 O ATOM 0 H ASP A 78 -10.709 -7.668 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.009 -7.150 -4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.180 -8.154 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.745 -6.505 -3.783 1.00 0.00 H new ATOM 1235 N ALA A 79 -10.826 -4.610 -2.922 1.00 0.00 N ATOM 1236 CA ALA A 79 -10.876 -3.161 -2.826 1.00 0.00 C ATOM 1237 C ALA A 79 -9.452 -2.603 -2.866 1.00 0.00 C ATOM 1238 O ALA A 79 -9.161 -1.690 -3.637 1.00 0.00 O ATOM 1239 CB ALA A 79 -11.625 -2.759 -1.553 1.00 0.00 C ATOM 0 H ALA A 79 -10.927 -5.100 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.420 -2.738 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.663 -1.672 -1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.640 -3.156 -1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.107 -3.163 -0.683 1.00 0.00 H new ATOM 1245 N ALA A 80 -8.602 -3.175 -2.025 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.216 -2.746 -1.955 1.00 0.00 C ATOM 1247 C ALA A 80 -6.647 -2.640 -3.371 1.00 0.00 C ATOM 1248 O ALA A 80 -5.908 -1.706 -3.679 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.424 -3.719 -1.080 1.00 0.00 C ATOM 0 H ALA A 80 -8.847 -3.932 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.142 -1.760 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.384 -3.397 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.850 -3.735 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.473 -4.719 -1.511 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.013 -3.610 -4.196 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.548 -3.637 -5.572 1.00 0.00 C ATOM 1257 C ASP A 81 -7.195 -2.487 -6.347 1.00 0.00 C ATOM 1258 O ASP A 81 -6.499 -1.677 -6.957 1.00 0.00 O ATOM 1259 CB ASP A 81 -6.937 -4.948 -6.259 1.00 0.00 C ATOM 1260 CG ASP A 81 -6.441 -5.096 -7.699 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -5.486 -4.368 -8.047 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -7.026 -5.934 -8.418 1.00 0.00 O ATOM 0 H ASP A 81 -7.626 -4.383 -3.938 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.462 -3.543 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.548 -5.779 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.024 -5.035 -6.254 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.518 -2.454 -6.299 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.266 -1.416 -6.989 1.00 0.00 C ATOM 1269 C ASP A 82 -8.579 -0.067 -6.771 1.00 0.00 C ATOM 1270 O ASP A 82 -8.302 0.654 -7.728 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.693 -1.313 -6.446 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.771 -1.063 -7.503 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -12.212 -2.063 -8.111 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -12.129 0.121 -7.680 1.00 0.00 O ATOM 0 H ASP A 82 -9.092 -3.129 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.300 -1.672 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.932 -2.235 -5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.730 -0.507 -5.714 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.322 0.233 -5.506 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.672 1.483 -5.151 1.00 0.00 C ATOM 1281 C ILE A 83 -6.249 1.491 -5.713 1.00 0.00 C ATOM 1282 O ILE A 83 -5.844 2.445 -6.375 1.00 0.00 O ATOM 1283 CB ILE A 83 -7.737 1.710 -3.639 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.188 1.800 -3.160 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -6.922 2.939 -3.234 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.338 1.214 -1.755 1.00 0.00 C ATOM 0 H ILE A 83 -8.552 -0.368 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.197 2.326 -5.600 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.288 0.849 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.511 2.841 -3.160 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -9.837 1.265 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.985 3.078 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.880 2.796 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.319 3.821 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.378 1.290 -1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.037 0.166 -1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.706 1.767 -1.061 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.529 0.415 -5.429 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.160 0.286 -5.899 1.00 0.00 C ATOM 1300 C HIS A 84 -4.091 0.644 -7.384 1.00 0.00 C ATOM 1301 O HIS A 84 -3.201 1.380 -7.809 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.613 -1.111 -5.599 1.00 0.00 C ATOM 1303 CG HIS A 84 -2.694 -1.653 -6.668 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -1.670 -1.060 -7.347 1.00 0.00 N flip ATOM 1305 CD2 HIS A 84 -2.781 -2.949 -7.145 1.00 0.00 C flip ATOM 1306 CE1 HIS A 84 -1.158 -1.947 -8.192 1.00 0.00 C flip ATOM 1307 NE2 HIS A 84 -1.846 -3.118 -8.069 1.00 0.00 N flip ATOM 0 H HIS A 84 -5.868 -0.375 -4.880 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.520 0.987 -5.363 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.075 -1.084 -4.651 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.450 -1.798 -5.471 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.352 -0.098 -7.226 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -3.490 -3.696 -6.820 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.333 -1.770 -8.866 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.042 0.107 -8.135 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.100 0.361 -9.564 1.00 0.00 C ATOM 1317 C ARG A 85 -5.245 1.860 -9.832 1.00 0.00 C ATOM 1318 O ARG A 85 -4.391 2.464 -10.480 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.273 -0.381 -10.208 1.00 0.00 C ATOM 1320 CG ARG A 85 -5.935 -1.857 -10.428 1.00 0.00 C ATOM 1321 CD ARG A 85 -4.989 -2.030 -11.618 1.00 0.00 C ATOM 1322 NE ARG A 85 -3.928 -3.007 -11.283 1.00 0.00 N ATOM 1323 CZ ARG A 85 -2.764 -3.104 -11.938 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -2.503 -2.286 -12.967 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -1.859 -4.020 -11.564 1.00 0.00 N ATOM 0 H ARG A 85 -5.778 -0.503 -7.780 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.170 -0.001 -10.003 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.154 -0.297 -9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.523 0.084 -11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.474 -2.266 -9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.851 -2.422 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.547 -2.371 -12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.542 -1.071 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.094 -3.646 -10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.191 -1.589 -13.252 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.616 -2.360 -13.465 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.057 -4.643 -10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.972 -4.094 -12.063 1.00 0.00 H new ATOM 1339 N SER A 86 -6.331 2.418 -9.319 1.00 0.00 N ATOM 1340 CA SER A 86 -6.598 3.836 -9.494 1.00 0.00 C ATOM 1341 C SER A 86 -5.334 4.646 -9.205 1.00 0.00 C ATOM 1342 O SER A 86 -5.126 5.709 -9.789 1.00 0.00 O ATOM 1343 CB SER A 86 -7.743 4.297 -8.589 1.00 0.00 C ATOM 1344 OG SER A 86 -7.282 4.667 -7.293 1.00 0.00 O ATOM 0 H SER A 86 -7.037 1.914 -8.782 1.00 0.00 H new ATOM 0 HA SER A 86 -6.899 4.002 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.250 5.145 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.478 3.497 -8.498 1.00 0.00 H new ATOM 0 HG SER A 86 -6.753 3.935 -6.913 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.522 4.114 -8.303 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.283 4.775 -7.929 1.00 0.00 C ATOM 1352 C LEU A 87 -2.242 4.559 -9.029 1.00 0.00 C ATOM 1353 O LEU A 87 -1.563 5.499 -9.440 1.00 0.00 O ATOM 1354 CB LEU A 87 -2.822 4.308 -6.546 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.391 5.080 -5.354 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -2.930 4.464 -4.032 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -3.042 6.567 -5.446 1.00 0.00 C ATOM 0 H LEU A 87 -4.698 3.233 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.437 5.851 -7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.086 3.257 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.734 4.369 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.478 5.002 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.348 5.031 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.271 3.430 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.842 4.491 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.458 7.092 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.959 6.687 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.460 6.983 -6.363 1.00 0.00 H new ATOM 1369 N MET A 88 -2.149 3.315 -9.475 1.00 0.00 N ATOM 1370 CA MET A 88 -1.202 2.963 -10.520 1.00 0.00 C ATOM 1371 C MET A 88 -1.622 3.562 -11.864 1.00 0.00 C ATOM 1372 O MET A 88 -0.866 3.510 -12.833 1.00 0.00 O ATOM 1373 CB MET A 88 -1.119 1.440 -10.642 1.00 0.00 C ATOM 1374 CG MET A 88 -0.133 0.861 -9.626 1.00 0.00 C ATOM 1375 SD MET A 88 1.530 1.369 -10.030 1.00 0.00 S ATOM 1376 CE MET A 88 1.774 0.453 -11.542 1.00 0.00 C ATOM 0 H MET A 88 -2.714 2.538 -9.132 1.00 0.00 H new ATOM 0 HA MET A 88 -0.226 3.368 -10.252 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.106 1.005 -10.485 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.808 1.169 -11.651 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.392 1.199 -8.623 1.00 0.00 H new ATOM 0 HG3 MET A 88 -0.199 -0.227 -9.622 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.835 0.438 -11.791 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.417 -0.569 -11.410 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.219 0.930 -12.350 1.00 0.00 H new ATOM 1386 N VAL A 89 -2.825 4.116 -11.879 1.00 0.00 N ATOM 1387 CA VAL A 89 -3.354 4.723 -13.088 1.00 0.00 C ATOM 1388 C VAL A 89 -2.812 6.148 -13.217 1.00 0.00 C ATOM 1389 O VAL A 89 -2.194 6.493 -14.224 1.00 0.00 O ATOM 1390 CB VAL A 89 -4.883 4.664 -13.078 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -5.469 5.439 -14.259 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -5.375 3.216 -13.073 1.00 0.00 C ATOM 0 H VAL A 89 -3.449 4.157 -11.073 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.027 4.169 -13.968 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.231 5.139 -12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.557 5.381 -14.228 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.159 6.482 -14.199 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.109 5.007 -15.193 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.465 3.202 -13.066 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.011 2.705 -13.965 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.000 2.707 -12.185 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.062 6.938 -12.183 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.607 8.318 -12.168 1.00 0.00 C ATOM 1404 C ASP A 90 -1.267 8.401 -11.434 1.00 0.00 C ATOM 1405 O ASP A 90 -0.231 8.642 -12.051 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.603 9.219 -11.436 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.838 9.613 -12.249 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -5.030 9.000 -13.321 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.561 10.518 -11.780 1.00 0.00 O ATOM 0 H ASP A 90 -3.574 6.649 -11.350 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.511 8.652 -13.201 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.931 8.711 -10.529 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.087 10.127 -11.124 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.331 8.195 -10.127 1.00 0.00 N ATOM 1415 CA HIS A 91 -0.136 8.243 -9.302 1.00 0.00 C ATOM 1416 C HIS A 91 0.661 6.948 -9.477 1.00 0.00 C ATOM 1417 O HIS A 91 0.858 6.202 -8.519 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.494 8.525 -7.842 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.691 9.429 -7.667 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -1.583 10.806 -7.568 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -3.021 9.140 -7.576 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.799 11.311 -7.423 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.688 10.277 -7.427 1.00 0.00 N ATOM 0 H HIS A 91 -2.192 7.994 -9.619 1.00 0.00 H new ATOM 0 HA HIS A 91 0.500 9.067 -9.625 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.689 7.579 -7.337 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.366 8.978 -7.349 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.457 8.153 -7.618 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.043 12.358 -7.320 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.700 10.364 -7.331 1.00 0.00 H new ATOM 1431 N VAL A 92 1.098 6.722 -10.707 1.00 0.00 N ATOM 1432 CA VAL A 92 1.868 5.531 -11.020 1.00 0.00 C ATOM 1433 C VAL A 92 3.343 5.784 -10.702 1.00 0.00 C ATOM 1434 O VAL A 92 3.966 5.013 -9.973 1.00 0.00 O ATOM 1435 CB VAL A 92 1.633 5.122 -12.476 1.00 0.00 C ATOM 1436 CG1 VAL A 92 2.306 6.105 -13.437 1.00 0.00 C ATOM 1437 CG2 VAL A 92 2.114 3.692 -12.729 1.00 0.00 C ATOM 0 H VAL A 92 0.933 7.344 -11.499 1.00 0.00 H new ATOM 0 HA VAL A 92 1.541 4.693 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 92 0.560 5.152 -12.663 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.124 5.791 -14.465 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.895 7.103 -13.284 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.379 6.122 -13.248 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.935 3.427 -13.771 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.181 3.624 -12.515 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.569 3.005 -12.081 1.00 0.00 H new ATOM 1447 N THR A 93 3.859 6.868 -11.264 1.00 0.00 N ATOM 1448 CA THR A 93 5.249 7.232 -11.048 1.00 0.00 C ATOM 1449 C THR A 93 5.505 7.506 -9.565 1.00 0.00 C ATOM 1450 O THR A 93 6.654 7.611 -9.139 1.00 0.00 O ATOM 1451 CB THR A 93 5.570 8.426 -11.950 1.00 0.00 C ATOM 1452 OG1 THR A 93 4.819 9.498 -11.387 1.00 0.00 O ATOM 1453 CG2 THR A 93 4.993 8.267 -13.359 1.00 0.00 C ATOM 0 H THR A 93 3.340 7.505 -11.868 1.00 0.00 H new ATOM 0 HA THR A 93 5.918 6.414 -11.315 1.00 0.00 H new ATOM 0 HB THR A 93 6.651 8.554 -12.012 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.970 10.313 -11.910 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.249 9.141 -13.958 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.410 7.374 -13.824 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.909 8.173 -13.300 1.00 0.00 H new ATOM 1461 N GLU A 94 4.416 7.612 -8.819 1.00 0.00 N ATOM 1462 CA GLU A 94 4.508 7.871 -7.392 1.00 0.00 C ATOM 1463 C GLU A 94 4.459 6.557 -6.610 1.00 0.00 C ATOM 1464 O GLU A 94 5.408 6.213 -5.907 1.00 0.00 O ATOM 1465 CB GLU A 94 3.401 8.822 -6.935 1.00 0.00 C ATOM 1466 CG GLU A 94 3.581 10.211 -7.552 1.00 0.00 C ATOM 1467 CD GLU A 94 4.344 11.137 -6.603 1.00 0.00 C ATOM 1468 OE1 GLU A 94 3.817 11.373 -5.494 1.00 0.00 O ATOM 1469 OE2 GLU A 94 5.438 11.589 -7.008 1.00 0.00 O ATOM 0 H GLU A 94 3.465 7.523 -9.176 1.00 0.00 H new ATOM 0 HA GLU A 94 5.464 8.355 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.429 8.418 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.409 8.899 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.120 10.127 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.606 10.641 -7.780 1.00 0.00 H new ATOM 1476 N VAL A 95 3.343 5.857 -6.759 1.00 0.00 N ATOM 1477 CA VAL A 95 3.158 4.589 -6.076 1.00 0.00 C ATOM 1478 C VAL A 95 4.203 3.588 -6.574 1.00 0.00 C ATOM 1479 O VAL A 95 4.572 2.661 -5.856 1.00 0.00 O ATOM 1480 CB VAL A 95 1.722 4.097 -6.265 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.715 5.186 -5.888 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.493 3.611 -7.697 1.00 0.00 C ATOM 0 H VAL A 95 2.558 6.145 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 95 3.308 4.709 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 95 1.567 3.251 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.298 4.810 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.854 5.464 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.871 6.060 -6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.464 3.267 -7.804 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.676 4.430 -8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.175 2.790 -7.916 1.00 0.00 H new ATOM 1492 N SER A 96 4.651 3.811 -7.801 1.00 0.00 N ATOM 1493 CA SER A 96 5.646 2.941 -8.404 1.00 0.00 C ATOM 1494 C SER A 96 6.936 2.973 -7.582 1.00 0.00 C ATOM 1495 O SER A 96 7.144 3.883 -6.781 1.00 0.00 O ATOM 1496 CB SER A 96 5.929 3.349 -9.852 1.00 0.00 C ATOM 1497 OG SER A 96 6.326 4.713 -9.954 1.00 0.00 O ATOM 0 H SER A 96 4.343 4.582 -8.394 1.00 0.00 H new ATOM 0 HA SER A 96 5.252 1.925 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.713 2.712 -10.262 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.037 3.185 -10.456 1.00 0.00 H new ATOM 0 HG SER A 96 7.146 4.776 -10.487 1.00 0.00 H new ATOM 1503 N GLN A 97 7.769 1.967 -7.808 1.00 0.00 N ATOM 1504 CA GLN A 97 9.033 1.869 -7.098 1.00 0.00 C ATOM 1505 C GLN A 97 8.829 1.183 -5.745 1.00 0.00 C ATOM 1506 O GLN A 97 9.782 1.002 -4.988 1.00 0.00 O ATOM 1507 CB GLN A 97 9.673 3.247 -6.924 1.00 0.00 C ATOM 1508 CG GLN A 97 11.175 3.195 -7.213 1.00 0.00 C ATOM 1509 CD GLN A 97 11.796 4.591 -7.140 1.00 0.00 C ATOM 1510 OE1 GLN A 97 12.710 4.852 -6.375 1.00 0.00 O ATOM 1511 NE2 GLN A 97 11.251 5.470 -7.975 1.00 0.00 N ATOM 0 H GLN A 97 7.593 1.213 -8.472 1.00 0.00 H new ATOM 0 HA GLN A 97 9.716 1.262 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.195 3.961 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.507 3.603 -5.907 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.665 2.537 -6.495 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.344 2.769 -8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.488 5.185 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.596 6.430 -8.002 1.00 0.00 H new ATOM 1520 N TRP A 98 7.582 0.822 -5.483 1.00 0.00 N ATOM 1521 CA TRP A 98 7.242 0.161 -4.234 1.00 0.00 C ATOM 1522 C TRP A 98 5.865 -0.486 -4.402 1.00 0.00 C ATOM 1523 O TRP A 98 5.664 -1.635 -4.012 1.00 0.00 O ATOM 1524 CB TRP A 98 7.303 1.140 -3.061 1.00 0.00 C ATOM 1525 CG TRP A 98 6.371 2.345 -3.206 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.633 3.526 -3.781 1.00 0.00 C ATOM 1527 CD2 TRP A 98 5.007 2.438 -2.742 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.543 4.371 -3.722 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.523 3.687 -3.070 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.210 1.497 -2.067 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.224 4.111 -2.764 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.914 1.935 -1.768 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.411 3.190 -2.091 1.00 0.00 C ATOM 0 H TRP A 98 6.795 0.974 -6.113 1.00 0.00 H new ATOM 0 HA TRP A 98 7.967 -0.618 -4.000 1.00 0.00 H new ATOM 0 HB2 TRP A 98 7.052 0.608 -2.144 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.327 1.497 -2.952 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.579 3.785 -4.234 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.495 5.322 -4.089 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.569 0.514 -1.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.868 5.095 -3.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.259 1.250 -1.250 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.398 3.454 -1.824 1.00 0.00 H new ATOM 1544 N MET A 99 4.953 0.281 -4.982 1.00 0.00 N ATOM 1545 CA MET A 99 3.602 -0.203 -5.206 1.00 0.00 C ATOM 1546 C MET A 99 3.605 -1.688 -5.573 1.00 0.00 C ATOM 1547 O MET A 99 2.669 -2.415 -5.242 1.00 0.00 O ATOM 1548 CB MET A 99 2.952 0.601 -6.334 1.00 0.00 C ATOM 1549 CG MET A 99 1.716 -0.119 -6.877 1.00 0.00 C ATOM 1550 SD MET A 99 0.608 -0.526 -5.538 1.00 0.00 S ATOM 1551 CE MET A 99 -0.103 1.081 -5.224 1.00 0.00 C ATOM 0 H MET A 99 5.124 1.234 -5.303 1.00 0.00 H new ATOM 0 HA MET A 99 3.034 -0.077 -4.284 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.671 1.588 -5.967 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.672 0.753 -7.138 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.206 0.515 -7.602 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.015 -1.027 -7.401 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.142 0.965 -4.917 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.457 1.578 -4.432 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.058 1.682 -6.132 1.00 0.00 H new ATOM 1561 N VAL A 100 4.667 -2.095 -6.252 1.00 0.00 N ATOM 1562 CA VAL A 100 4.805 -3.480 -6.668 1.00 0.00 C ATOM 1563 C VAL A 100 4.638 -4.393 -5.451 1.00 0.00 C ATOM 1564 O VAL A 100 3.855 -5.340 -5.484 1.00 0.00 O ATOM 1565 CB VAL A 100 6.140 -3.681 -7.388 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.212 -2.828 -8.656 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.315 -3.379 -6.456 1.00 0.00 C ATOM 0 H VAL A 100 5.441 -1.489 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 100 4.024 -3.743 -7.382 1.00 0.00 H new ATOM 0 HB VAL A 100 6.208 -4.728 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.171 -2.989 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.405 -3.111 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.112 -1.775 -8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.252 -3.529 -6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.253 -2.345 -6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.278 -4.047 -5.595 1.00 0.00 H new ATOM 1577 N GLY A 101 5.389 -4.075 -4.407 1.00 0.00 N ATOM 1578 CA GLY A 101 5.334 -4.854 -3.182 1.00 0.00 C ATOM 1579 C GLY A 101 3.903 -4.936 -2.647 1.00 0.00 C ATOM 1580 O GLY A 101 3.357 -6.027 -2.490 1.00 0.00 O ATOM 0 H GLY A 101 6.039 -3.289 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.714 -5.858 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.982 -4.402 -2.430 1.00 0.00 H new ATOM 1584 N VAL A 102 3.336 -3.768 -2.383 1.00 0.00 N ATOM 1585 CA VAL A 102 1.979 -3.694 -1.869 1.00 0.00 C ATOM 1586 C VAL A 102 1.094 -4.678 -2.637 1.00 0.00 C ATOM 1587 O VAL A 102 0.398 -5.493 -2.033 1.00 0.00 O ATOM 1588 CB VAL A 102 1.471 -2.253 -1.939 1.00 0.00 C ATOM 1589 CG1 VAL A 102 0.001 -2.169 -1.524 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.336 -1.324 -1.085 1.00 0.00 C ATOM 0 H VAL A 102 3.792 -2.865 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 102 1.952 -3.983 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 102 1.546 -1.922 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.335 -1.134 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.601 -2.784 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.109 -2.529 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.953 -0.306 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.308 -1.654 -0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.364 -1.350 -1.447 1.00 0.00 H new ATOM 1600 N LYS A 103 1.149 -4.570 -3.956 1.00 0.00 N ATOM 1601 CA LYS A 103 0.361 -5.440 -4.812 1.00 0.00 C ATOM 1602 C LYS A 103 0.516 -6.888 -4.341 1.00 0.00 C ATOM 1603 O LYS A 103 -0.474 -7.597 -4.168 1.00 0.00 O ATOM 1604 CB LYS A 103 0.733 -5.227 -6.281 1.00 0.00 C ATOM 1605 CG LYS A 103 0.439 -6.480 -7.108 1.00 0.00 C ATOM 1606 CD LYS A 103 -0.091 -6.110 -8.494 1.00 0.00 C ATOM 1607 CE LYS A 103 0.243 -7.197 -9.518 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.447 -6.824 -10.294 1.00 0.00 N ATOM 0 H LYS A 103 1.727 -3.893 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.698 -5.192 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.174 -4.382 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.791 -4.975 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.347 -7.075 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.292 -7.100 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.171 -5.968 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.342 -5.161 -8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.411 -8.146 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.601 -7.342 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.660 -7.572 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.274 -5.929 -10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.254 -6.708 -9.648 1.00 0.00 H new ATOM 1622 N ARG A 104 1.766 -7.283 -4.149 1.00 0.00 N ATOM 1623 CA ARG A 104 2.063 -8.633 -3.702 1.00 0.00 C ATOM 1624 C ARG A 104 1.522 -8.856 -2.288 1.00 0.00 C ATOM 1625 O ARG A 104 0.758 -9.790 -2.052 1.00 0.00 O ATOM 1626 CB ARG A 104 3.570 -8.897 -3.711 1.00 0.00 C ATOM 1627 CG ARG A 104 3.869 -10.378 -3.469 1.00 0.00 C ATOM 1628 CD ARG A 104 3.494 -11.220 -4.690 1.00 0.00 C ATOM 1629 NE ARG A 104 4.668 -11.375 -5.578 1.00 0.00 N ATOM 1630 CZ ARG A 104 4.688 -12.154 -6.668 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.599 -12.854 -7.011 1.00 0.00 N ATOM 1632 NH2 ARG A 104 5.798 -12.233 -7.414 1.00 0.00 N ATOM 0 H ARG A 104 2.584 -6.692 -4.295 1.00 0.00 H new ATOM 0 HA ARG A 104 1.580 -9.324 -4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.991 -8.589 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.053 -8.294 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.928 -10.507 -3.245 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.314 -10.727 -2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.137 -12.199 -4.371 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.677 -10.744 -5.233 1.00 0.00 H new ATOM 0 HE ARG A 104 5.515 -10.856 -5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.754 -12.794 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.614 -13.447 -7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.627 -11.700 -7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.814 -12.826 -8.244 1.00 0.00 H new ATOM 1646 N LEU A 105 1.940 -7.981 -1.384 1.00 0.00 N ATOM 1647 CA LEU A 105 1.507 -8.070 0.000 1.00 0.00 C ATOM 1648 C LEU A 105 0.016 -8.415 0.042 1.00 0.00 C ATOM 1649 O LEU A 105 -0.393 -9.327 0.758 1.00 0.00 O ATOM 1650 CB LEU A 105 1.863 -6.789 0.756 1.00 0.00 C ATOM 1651 CG LEU A 105 1.698 -6.840 2.276 1.00 0.00 C ATOM 1652 CD1 LEU A 105 3.013 -6.503 2.983 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.553 -5.935 2.734 1.00 0.00 C ATOM 0 H LEU A 105 2.574 -7.207 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 105 2.035 -8.873 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.899 -6.534 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.244 -5.979 0.370 1.00 0.00 H new ATOM 0 HG LEU A 105 1.434 -7.860 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.867 -6.547 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.778 -7.222 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.331 -5.500 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.457 -5.990 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.762 -4.907 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.378 -6.263 2.271 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.754 -7.666 -0.734 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.189 -7.880 -0.794 1.00 0.00 C ATOM 1667 C ILE A 106 -2.469 -9.364 -1.040 1.00 0.00 C ATOM 1668 O ILE A 106 -3.024 -10.046 -0.179 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.827 -6.954 -1.831 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.541 -5.487 -1.505 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.325 -7.231 -1.966 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.483 -4.643 -2.781 1.00 0.00 C ATOM 0 H ILE A 106 -0.410 -6.910 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.652 -7.621 0.158 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.374 -7.162 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.316 -5.100 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.595 -5.408 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.754 -6.559 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.477 -8.264 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.813 -7.068 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.278 -3.604 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.691 -5.018 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.438 -4.705 -3.302 1.00 0.00 H new ATOM 1684 N ALA A 107 -2.073 -9.821 -2.218 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.274 -11.212 -2.588 1.00 0.00 C ATOM 1686 C ALA A 107 -1.870 -12.110 -1.417 1.00 0.00 C ATOM 1687 O ALA A 107 -2.619 -13.005 -1.030 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.482 -11.521 -3.861 1.00 0.00 C ATOM 0 H ALA A 107 -1.614 -9.253 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.325 -11.404 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.632 -12.564 -4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.827 -10.877 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.422 -11.342 -3.682 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.686 -11.839 -0.886 1.00 0.00 N ATOM 1695 CA GLU A 108 -0.174 -12.612 0.232 1.00 0.00 C ATOM 1696 C GLU A 108 -1.186 -12.619 1.380 1.00 0.00 C ATOM 1697 O GLU A 108 -1.755 -13.660 1.704 1.00 0.00 O ATOM 1698 CB GLU A 108 1.180 -12.071 0.698 1.00 0.00 C ATOM 1699 CG GLU A 108 2.275 -12.385 -0.323 1.00 0.00 C ATOM 1700 CD GLU A 108 3.503 -11.499 -0.098 1.00 0.00 C ATOM 1701 OE1 GLU A 108 3.429 -10.647 0.813 1.00 0.00 O ATOM 1702 OE2 GLU A 108 4.488 -11.695 -0.843 1.00 0.00 O ATOM 0 H GLU A 108 -0.067 -11.095 -1.210 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.023 -13.639 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.114 -10.993 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.439 -12.510 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.560 -13.434 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.892 -12.232 -1.332 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.379 -11.445 1.964 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.312 -11.303 3.069 1.00 0.00 C ATOM 1711 C LYS A 109 -3.567 -12.129 2.780 1.00 0.00 C ATOM 1712 O LYS A 109 -3.968 -12.961 3.592 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.597 -9.825 3.342 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.373 -9.133 3.946 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.199 -9.514 5.418 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.220 -8.788 6.297 1.00 0.00 C ATOM 1717 NZ LYS A 109 -2.487 -9.564 7.529 1.00 0.00 N ATOM 0 H LYS A 109 -0.905 -10.584 1.693 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.877 -11.695 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.879 -9.328 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.444 -9.734 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.480 -9.412 3.386 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.481 -8.052 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.315 -10.592 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.190 -9.264 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.846 -7.798 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.148 -8.643 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.182 -9.058 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.864 -10.499 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.603 -9.681 8.064 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.153 -11.869 1.620 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.354 -12.578 1.214 1.00 0.00 C ATOM 1733 C LYS A 110 -5.146 -14.081 1.410 1.00 0.00 C ATOM 1734 O LYS A 110 -5.994 -14.758 1.990 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.747 -12.193 -0.214 1.00 0.00 C ATOM 1736 CG LYS A 110 -6.792 -13.159 -0.775 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.334 -12.662 -2.117 1.00 0.00 C ATOM 1738 CE LYS A 110 -7.385 -13.797 -3.142 1.00 0.00 C ATOM 1739 NZ LYS A 110 -6.366 -13.590 -4.195 1.00 0.00 N ATOM 0 H LYS A 110 -3.818 -11.177 0.949 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.197 -12.288 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.143 -11.177 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.863 -12.197 -0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.349 -14.147 -0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.612 -13.266 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.332 -12.247 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.703 -11.856 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.214 -14.752 -2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.377 -13.845 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.414 -14.369 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.547 -12.688 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.420 -13.567 -3.763 1.00 0.00 H new ATOM 1753 N SER A 111 -4.013 -14.558 0.916 1.00 0.00 N ATOM 1754 CA SER A 111 -3.683 -15.969 1.030 1.00 0.00 C ATOM 1755 C SER A 111 -3.754 -16.406 2.494 1.00 0.00 C ATOM 1756 O SER A 111 -4.496 -17.325 2.836 1.00 0.00 O ATOM 1757 CB SER A 111 -2.294 -16.257 0.456 1.00 0.00 C ATOM 1758 OG SER A 111 -2.335 -17.244 -0.571 1.00 0.00 O ATOM 0 H SER A 111 -3.312 -13.993 0.436 1.00 0.00 H new ATOM 0 HA SER A 111 -4.411 -16.539 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.869 -15.336 0.057 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.634 -16.593 1.256 1.00 0.00 H new ATOM 0 HG SER A 111 -1.430 -17.398 -0.913 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.970 -15.728 3.320 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.935 -16.035 4.740 1.00 0.00 C ATOM 1766 C LEU A 112 -4.365 -16.200 5.257 1.00 0.00 C ATOM 1767 O LEU A 112 -4.729 -17.264 5.756 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.125 -14.979 5.496 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.608 -15.029 5.299 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.070 -13.674 4.837 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.093 -15.522 6.567 1.00 0.00 C ATOM 0 H LEU A 112 -2.354 -14.967 3.033 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.422 -16.981 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.478 -13.993 5.193 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.337 -15.081 6.560 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.389 -15.748 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.010 -13.737 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.536 -13.401 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.300 -12.917 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.170 -15.548 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.130 -14.846 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.261 -16.523 6.812 1.00 0.00 H new