USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 748 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 78 MET CE :methyl -135:sc= 0 (180deg=-1.49!) USER MOD Set 1.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 89 THR OG1 : rot -130:sc= 0.539 USER MOD Set 2.2: A 92 GLN : amide:sc= 0.796 K(o=1.3,f=0.83) USER MOD Set 3.1: A 44 ASN : amide:sc= -4.68! C(o=-5.1!,f=-5!) USER MOD Set 3.2: A 47 SER OG : rot 150:sc= -0.011 USER MOD Set 3.3: A 56 TYR OH : rot -107:sc= -0.404 USER MOD Single : A 14 GLN : amide:sc= -3.9! K(o=-3.9!,f=-0.76) USER MOD Single : A 19 HIS : no HD1:sc= -1.53! K(o=-1.5!,f=-0.22) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -0.0466 (180deg=-0.394) USER MOD Single : A 23 GLN : amide:sc= -5.39! C(o=-5.4!,f=-3.7!) USER MOD Single : A 26 ASN : amide:sc= 0.79 K(o=0.79,f=-0.034) USER MOD Single : A 32 SER OG : rot 70:sc= 0.679 USER MOD Single : A 39 GLN : amide:sc= -5.93! C(o=-5.9!,f=-3.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.67! C(o=-3.7!,f=-2.5!) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.124) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.0424 USER MOD Single : A 61 SER OG : rot 146:sc= -1.38 USER MOD Single : A 72 GLN : amide:sc= -0.769 K(o=-0.77,f=-0.0029) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.95 X(o=-3,f=-2.9!) USER MOD Single : A 81 ASN : amide:sc= -4.46! K(o=-4.5!,f=-1.3) USER MOD Single : A 85 MET CE :methyl -167:sc= -5.67! (180deg=-6.01!) USER MOD Single : A 86 THR OG1 : rot 61:sc= 1.41 USER MOD Single : A 87 MET CE :methyl -162:sc= -0.102 (180deg=-0.528) USER MOD Single : A 90 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-4.1!) USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= -0.0155 (180deg=-0.167) USER MOD Single : A 98 THR OG1 : rot -40:sc= 0.287 USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= 1.15 (180deg=0.794) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -7.796 -11.020 -4.405 1.00 0.00 N ATOM 154 CA VAL A 12 -7.630 -10.319 -5.636 1.00 0.00 C ATOM 155 C VAL A 12 -6.366 -9.513 -5.631 1.00 0.00 C ATOM 156 O VAL A 12 -6.074 -8.790 -4.671 1.00 0.00 O ATOM 157 CB VAL A 12 -8.858 -9.406 -5.969 1.00 0.00 C ATOM 158 CG1 VAL A 12 -8.618 -8.559 -7.224 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.093 -10.250 -6.169 1.00 0.00 C ATOM 0 HA VAL A 12 -7.561 -11.073 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.998 -8.731 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.494 -7.941 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.749 -7.919 -7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.440 -9.214 -8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.941 -9.605 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.930 -10.944 -6.993 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.302 -10.811 -5.258 1.00 0.00 H new ATOM 169 N VAL A 13 -5.608 -9.705 -6.657 1.00 0.00 N ATOM 170 CA VAL A 13 -4.462 -8.936 -6.930 1.00 0.00 C ATOM 171 C VAL A 13 -4.761 -8.129 -8.182 1.00 0.00 C ATOM 172 O VAL A 13 -5.221 -8.670 -9.189 1.00 0.00 O ATOM 173 CB VAL A 13 -3.187 -9.817 -7.095 1.00 0.00 C ATOM 174 CG1 VAL A 13 -3.308 -10.819 -8.227 1.00 0.00 C ATOM 175 CG2 VAL A 13 -1.936 -8.968 -7.234 1.00 0.00 C ATOM 0 H VAL A 13 -5.785 -10.433 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.242 -8.275 -6.092 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.094 -10.398 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.391 -11.404 -8.294 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.150 -11.484 -8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.470 -10.289 -9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.067 -9.616 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.027 -8.327 -8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.815 -8.350 -6.344 1.00 0.00 H new ATOM 185 N GLN A 14 -4.583 -6.866 -8.089 1.00 0.00 N ATOM 186 CA GLN A 14 -4.903 -5.976 -9.175 1.00 0.00 C ATOM 187 C GLN A 14 -3.805 -4.951 -9.311 1.00 0.00 C ATOM 188 O GLN A 14 -3.133 -4.618 -8.313 1.00 0.00 O ATOM 189 CB GLN A 14 -6.297 -5.340 -8.932 1.00 0.00 C ATOM 190 CG GLN A 14 -6.419 -4.526 -7.644 1.00 0.00 C ATOM 191 CD GLN A 14 -6.298 -3.037 -7.871 1.00 0.00 C ATOM 192 OE1 GLN A 14 -7.283 -2.337 -8.084 1.00 0.00 O ATOM 193 NE2 GLN A 14 -5.110 -2.546 -7.876 1.00 0.00 N ATOM 0 H GLN A 14 -4.210 -6.403 -7.260 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.962 -6.518 -10.119 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.537 -4.694 -9.777 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.044 -6.134 -8.915 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.380 -4.739 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.646 -4.845 -6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.308 -3.150 -7.696 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.969 -1.553 -8.060 1.00 0.00 H new ATOM 202 N ARG A 15 -3.615 -4.439 -10.493 1.00 0.00 N ATOM 203 CA ARG A 15 -2.536 -3.523 -10.730 1.00 0.00 C ATOM 204 C ARG A 15 -3.003 -2.082 -10.576 1.00 0.00 C ATOM 205 O ARG A 15 -4.178 -1.768 -10.783 1.00 0.00 O ATOM 206 CB ARG A 15 -1.853 -3.789 -12.113 1.00 0.00 C ATOM 207 CG ARG A 15 -2.637 -3.424 -13.380 1.00 0.00 C ATOM 208 CD ARG A 15 -2.454 -1.958 -13.761 1.00 0.00 C ATOM 209 NE ARG A 15 -3.203 -1.604 -14.968 1.00 0.00 N ATOM 210 CZ ARG A 15 -2.950 -0.553 -15.760 1.00 0.00 C ATOM 211 NH1 ARG A 15 -1.878 0.195 -15.554 1.00 0.00 N ATOM 212 NH2 ARG A 15 -3.757 -0.284 -16.775 1.00 0.00 N ATOM 0 H ARG A 15 -4.194 -4.640 -11.309 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.772 -3.693 -9.972 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.911 -3.241 -12.132 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.606 -4.849 -12.166 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.309 -4.057 -14.205 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.696 -3.629 -13.223 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.780 -1.326 -12.935 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.395 -1.755 -13.920 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.983 -2.208 -15.228 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.240 -0.027 -14.790 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.690 0.994 -16.159 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.568 -0.876 -16.952 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.567 0.515 -17.380 1.00 0.00 H new ATOM 226 N VAL A 16 -2.107 -1.236 -10.179 1.00 0.00 N ATOM 227 CA VAL A 16 -2.362 0.176 -10.061 1.00 0.00 C ATOM 228 C VAL A 16 -1.286 0.860 -10.883 1.00 0.00 C ATOM 229 O VAL A 16 -0.219 0.274 -11.103 1.00 0.00 O ATOM 230 CB VAL A 16 -2.211 0.712 -8.607 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.951 2.010 -8.445 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.601 -0.289 -7.538 1.00 0.00 C ATOM 0 H VAL A 16 -1.158 -1.506 -9.921 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.385 0.369 -10.384 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.146 0.889 -8.455 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.835 2.370 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.547 2.748 -9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.009 1.855 -8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.468 0.160 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.645 -0.573 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.971 -1.174 -7.621 1.00 0.00 H new ATOM 242 N GLU A 17 -1.533 2.050 -11.325 1.00 0.00 N ATOM 243 CA GLU A 17 -0.565 2.774 -12.090 1.00 0.00 C ATOM 244 C GLU A 17 -0.582 4.238 -11.726 1.00 0.00 C ATOM 245 O GLU A 17 -1.489 4.985 -12.096 1.00 0.00 O ATOM 246 CB GLU A 17 -0.811 2.544 -13.561 1.00 0.00 C ATOM 247 CG GLU A 17 0.116 3.257 -14.514 1.00 0.00 C ATOM 248 CD GLU A 17 -0.101 2.751 -15.917 1.00 0.00 C ATOM 249 OE1 GLU A 17 -1.273 2.744 -16.387 1.00 0.00 O ATOM 250 OE2 GLU A 17 0.854 2.286 -16.563 1.00 0.00 O ATOM 0 H GLU A 17 -2.409 2.549 -11.168 1.00 0.00 H new ATOM 0 HA GLU A 17 0.435 2.408 -11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.744 1.474 -13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.833 2.846 -13.788 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.063 4.331 -14.474 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.152 3.096 -14.216 1.00 0.00 H new ATOM 257 N ILE A 18 0.412 4.635 -11.008 1.00 0.00 N ATOM 258 CA ILE A 18 0.520 5.987 -10.566 1.00 0.00 C ATOM 259 C ILE A 18 1.420 6.742 -11.502 1.00 0.00 C ATOM 260 O ILE A 18 2.522 6.291 -11.825 1.00 0.00 O ATOM 261 CB ILE A 18 1.021 6.155 -9.074 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.106 5.977 -8.031 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.714 7.490 -8.861 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.545 4.565 -7.753 1.00 0.00 C ATOM 0 H ILE A 18 1.177 4.030 -10.709 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.491 6.395 -10.578 1.00 0.00 H new ATOM 0 HB ILE A 18 1.741 5.352 -8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.224 6.423 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.974 6.545 -8.366 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.043 7.568 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.577 7.561 -9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.019 8.300 -9.083 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.339 4.571 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.916 4.112 -8.672 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.301 3.988 -7.379 1.00 0.00 H new ATOM 276 N HIS A 19 0.932 7.846 -11.968 1.00 0.00 N ATOM 277 CA HIS A 19 1.701 8.720 -12.809 1.00 0.00 C ATOM 278 C HIS A 19 2.272 9.822 -11.928 1.00 0.00 C ATOM 279 O HIS A 19 1.554 10.333 -11.055 1.00 0.00 O ATOM 280 CB HIS A 19 0.816 9.327 -13.910 1.00 0.00 C ATOM 281 CG HIS A 19 0.184 8.345 -14.859 1.00 0.00 C ATOM 282 ND1 HIS A 19 -0.804 8.680 -15.754 1.00 0.00 N ATOM 283 CD2 HIS A 19 0.406 7.022 -15.035 1.00 0.00 C ATOM 284 CE1 HIS A 19 -1.148 7.588 -16.426 1.00 0.00 C ATOM 285 NE2 HIS A 19 -0.444 6.543 -16.032 1.00 0.00 N ATOM 0 H HIS A 19 -0.015 8.173 -11.778 1.00 0.00 H new ATOM 0 HA HIS A 19 2.502 8.165 -13.297 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.024 9.906 -13.435 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.418 10.027 -14.489 1.00 0.00 H new ATOM 0 HD2 HIS A 19 1.127 6.431 -14.490 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.906 7.558 -17.195 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.508 5.587 -16.383 1.00 0.00 H new ATOM 293 N LYS A 20 3.542 10.162 -12.155 1.00 0.00 N ATOM 294 CA LYS A 20 4.306 11.179 -11.380 1.00 0.00 C ATOM 295 C LYS A 20 3.484 12.406 -10.912 1.00 0.00 C ATOM 296 O LYS A 20 2.867 13.132 -11.719 1.00 0.00 O ATOM 297 CB LYS A 20 5.523 11.654 -12.186 1.00 0.00 C ATOM 298 CG LYS A 20 5.183 12.262 -13.540 1.00 0.00 C ATOM 299 CD LYS A 20 6.412 12.821 -14.229 1.00 0.00 C ATOM 300 CE LYS A 20 6.043 13.540 -15.514 1.00 0.00 C ATOM 301 NZ LYS A 20 5.161 14.703 -15.270 1.00 0.00 N ATOM 0 H LYS A 20 4.094 9.735 -12.899 1.00 0.00 H new ATOM 0 HA LYS A 20 4.613 10.666 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.068 12.391 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.194 10.809 -12.339 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.724 11.504 -14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.447 13.055 -13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.926 13.510 -13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.108 12.012 -14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.951 13.874 -16.015 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.545 12.843 -16.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.153 15.315 -16.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.195 14.371 -15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.515 15.242 -14.454 1.00 0.00 H new ATOM 315 N LEU A 21 3.461 12.601 -9.617 1.00 0.00 N ATOM 316 CA LEU A 21 2.797 13.727 -9.007 1.00 0.00 C ATOM 317 C LEU A 21 3.761 14.506 -8.129 1.00 0.00 C ATOM 318 O LEU A 21 4.441 13.937 -7.275 1.00 0.00 O ATOM 319 CB LEU A 21 1.640 13.250 -8.130 1.00 0.00 C ATOM 320 CG LEU A 21 0.937 14.342 -7.305 1.00 0.00 C ATOM 321 CD1 LEU A 21 0.196 15.322 -8.197 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.006 13.736 -6.280 1.00 0.00 C ATOM 0 H LEU A 21 3.908 11.974 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 21 2.425 14.365 -9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.899 12.768 -8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.016 12.489 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 21 1.709 14.897 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.289 16.080 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.902 15.802 -8.875 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.558 14.789 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.477 14.531 -5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.753 13.139 -6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.575 13.100 -5.602 1.00 0.00 H new ATOM 334 N ARG A 22 3.834 15.779 -8.326 1.00 0.00 N ATOM 335 CA ARG A 22 4.590 16.593 -7.437 1.00 0.00 C ATOM 336 C ARG A 22 3.697 17.194 -6.406 1.00 0.00 C ATOM 337 O ARG A 22 2.618 17.699 -6.721 1.00 0.00 O ATOM 338 CB ARG A 22 5.393 17.662 -8.149 1.00 0.00 C ATOM 339 CG ARG A 22 6.602 17.124 -8.856 1.00 0.00 C ATOM 340 CD ARG A 22 7.477 18.238 -9.351 1.00 0.00 C ATOM 341 NE ARG A 22 8.800 17.738 -9.727 1.00 0.00 N ATOM 342 CZ ARG A 22 9.912 17.867 -8.975 1.00 0.00 C ATOM 343 NH1 ARG A 22 9.897 18.615 -7.877 1.00 0.00 N ATOM 344 NH2 ARG A 22 11.047 17.288 -9.355 1.00 0.00 N ATOM 0 H ARG A 22 3.381 16.277 -9.092 1.00 0.00 H new ATOM 0 HA ARG A 22 5.317 15.943 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.752 18.167 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.708 18.413 -7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.169 16.485 -8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.290 16.502 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.009 18.719 -10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.578 18.998 -8.576 1.00 0.00 H new ATOM 0 HE ARG A 22 8.887 17.257 -10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.041 19.095 -7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.741 18.709 -7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.078 16.744 -10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.886 17.387 -8.784 1.00 0.00 H new ATOM 358 N GLN A 23 4.110 17.115 -5.179 1.00 0.00 N ATOM 359 CA GLN A 23 3.370 17.678 -4.109 1.00 0.00 C ATOM 360 C GLN A 23 4.261 18.619 -3.398 1.00 0.00 C ATOM 361 O GLN A 23 5.227 18.190 -2.759 1.00 0.00 O ATOM 362 CB GLN A 23 2.868 16.620 -3.140 1.00 0.00 C ATOM 363 CG GLN A 23 1.863 15.651 -3.720 1.00 0.00 C ATOM 364 CD GLN A 23 1.185 14.818 -2.649 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.025 15.246 -1.515 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.767 13.637 -3.002 1.00 0.00 N ATOM 0 H GLN A 23 4.975 16.654 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 23 2.492 18.183 -4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.722 16.055 -2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.417 17.119 -2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.109 16.204 -4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.364 14.991 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.915 13.308 -3.956 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.291 13.041 -2.325 1.00 0.00 H new ATOM 375 N GLY A 24 4.003 19.878 -3.556 1.00 0.00 N ATOM 376 CA GLY A 24 4.804 20.879 -2.923 1.00 0.00 C ATOM 377 C GLY A 24 6.172 20.956 -3.541 1.00 0.00 C ATOM 378 O GLY A 24 6.332 21.438 -4.657 1.00 0.00 O ATOM 0 H GLY A 24 3.237 20.241 -4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.311 21.848 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.895 20.656 -1.860 1.00 0.00 H new ATOM 382 N GLU A 25 7.139 20.413 -2.846 1.00 0.00 N ATOM 383 CA GLU A 25 8.517 20.454 -3.277 1.00 0.00 C ATOM 384 C GLU A 25 9.042 19.038 -3.459 1.00 0.00 C ATOM 385 O GLU A 25 10.242 18.817 -3.622 1.00 0.00 O ATOM 386 CB GLU A 25 9.332 21.192 -2.218 1.00 0.00 C ATOM 387 CG GLU A 25 8.786 22.579 -1.926 1.00 0.00 C ATOM 388 CD GLU A 25 9.426 23.242 -0.747 1.00 0.00 C ATOM 389 OE1 GLU A 25 9.135 22.842 0.404 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.178 24.210 -0.933 1.00 0.00 O ATOM 0 H GLU A 25 6.994 19.927 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 25 8.599 20.974 -4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.341 20.607 -1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.366 21.275 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.926 23.208 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.712 22.508 -1.753 1.00 0.00 H new ATOM 397 N ASN A 26 8.137 18.083 -3.460 1.00 0.00 N ATOM 398 CA ASN A 26 8.523 16.682 -3.536 1.00 0.00 C ATOM 399 C ASN A 26 7.815 16.046 -4.689 1.00 0.00 C ATOM 400 O ASN A 26 6.856 16.601 -5.230 1.00 0.00 O ATOM 401 CB ASN A 26 8.078 15.893 -2.289 1.00 0.00 C ATOM 402 CG ASN A 26 8.038 16.695 -1.027 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.005 16.781 -0.272 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.908 17.282 -0.798 1.00 0.00 N ATOM 0 H ASN A 26 7.131 18.245 -3.409 1.00 0.00 H new ATOM 0 HA ASN A 26 9.609 16.655 -3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.087 15.478 -2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.755 15.050 -2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.789 17.849 0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.137 17.178 -1.457 1.00 0.00 H new ATOM 411 N LEU A 27 8.254 14.890 -5.019 1.00 0.00 N ATOM 412 CA LEU A 27 7.641 14.052 -6.013 1.00 0.00 C ATOM 413 C LEU A 27 7.126 12.860 -5.238 1.00 0.00 C ATOM 414 O LEU A 27 7.902 12.194 -4.557 1.00 0.00 O ATOM 415 CB LEU A 27 8.713 13.641 -7.066 1.00 0.00 C ATOM 416 CG LEU A 27 8.280 12.862 -8.354 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.733 11.466 -8.066 1.00 0.00 C ATOM 418 CD2 LEU A 27 7.290 13.666 -9.168 1.00 0.00 C ATOM 0 H LEU A 27 9.083 14.473 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 27 6.836 14.540 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.216 14.552 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.457 13.032 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 27 9.189 12.721 -8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.453 10.985 -9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.498 10.871 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.857 11.544 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.006 13.102 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.403 13.867 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.747 14.609 -9.468 1.00 0.00 H new ATOM 430 N ILE A 28 5.831 12.646 -5.254 1.00 0.00 N ATOM 431 CA ILE A 28 5.256 11.564 -4.499 1.00 0.00 C ATOM 432 C ILE A 28 4.263 10.840 -5.379 1.00 0.00 C ATOM 433 O ILE A 28 3.677 11.434 -6.277 1.00 0.00 O ATOM 434 CB ILE A 28 4.470 12.083 -3.251 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.034 13.426 -2.760 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.518 11.046 -2.130 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.445 13.925 -1.468 1.00 0.00 C ATOM 0 H ILE A 28 5.160 13.206 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 28 6.069 10.917 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 28 3.432 12.241 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.113 13.328 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.869 14.177 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.967 11.418 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.066 10.116 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.555 10.863 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.904 14.877 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.370 14.061 -1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.633 13.198 -0.678 1.00 0.00 H new ATOM 449 N LEU A 29 4.035 9.582 -5.097 1.00 0.00 N ATOM 450 CA LEU A 29 3.019 8.814 -5.806 1.00 0.00 C ATOM 451 C LEU A 29 1.640 9.147 -5.243 1.00 0.00 C ATOM 452 O LEU A 29 0.621 8.570 -5.634 1.00 0.00 O ATOM 453 CB LEU A 29 3.276 7.319 -5.662 1.00 0.00 C ATOM 454 CG LEU A 29 4.620 6.791 -6.150 1.00 0.00 C ATOM 455 CD1 LEU A 29 4.655 5.287 -6.035 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.965 7.262 -7.558 1.00 0.00 C ATOM 0 H LEU A 29 4.537 9.058 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 29 3.061 9.077 -6.863 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.174 7.059 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.490 6.788 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 29 5.393 7.209 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.619 4.918 -6.386 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.513 4.998 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.859 4.857 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.933 6.854 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.200 6.918 -8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.009 8.351 -7.577 1.00 0.00 H new ATOM 468 N GLY A 30 1.617 10.056 -4.303 1.00 0.00 N ATOM 469 CA GLY A 30 0.402 10.487 -3.736 1.00 0.00 C ATOM 470 C GLY A 30 0.037 9.774 -2.452 1.00 0.00 C ATOM 471 O GLY A 30 -0.381 10.409 -1.495 1.00 0.00 O ATOM 0 H GLY A 30 2.448 10.507 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.463 11.558 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.398 10.341 -4.461 1.00 0.00 H new ATOM 475 N PHE A 31 0.182 8.472 -2.427 1.00 0.00 N ATOM 476 CA PHE A 31 -0.240 7.694 -1.287 1.00 0.00 C ATOM 477 C PHE A 31 0.882 7.506 -0.225 1.00 0.00 C ATOM 478 O PHE A 31 2.067 7.757 -0.490 1.00 0.00 O ATOM 479 CB PHE A 31 -0.807 6.347 -1.775 1.00 0.00 C ATOM 480 CG PHE A 31 0.207 5.391 -2.329 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.621 5.485 -3.643 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.732 4.391 -1.535 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.545 4.601 -4.157 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.654 3.503 -2.037 1.00 0.00 C ATOM 485 CZ PHE A 31 2.066 3.606 -3.351 1.00 0.00 C ATOM 0 H PHE A 31 0.591 7.926 -3.186 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.024 8.248 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.321 5.865 -0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.556 6.543 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.216 6.261 -4.276 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.414 4.305 -0.506 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.861 4.685 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.056 2.726 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.792 2.912 -3.747 1.00 0.00 H new ATOM 495 N SER A 32 0.473 7.089 0.957 1.00 0.00 N ATOM 496 CA SER A 32 1.338 6.813 2.087 1.00 0.00 C ATOM 497 C SER A 32 1.272 5.333 2.414 1.00 0.00 C ATOM 498 O SER A 32 0.338 4.647 2.001 1.00 0.00 O ATOM 499 CB SER A 32 0.852 7.558 3.311 1.00 0.00 C ATOM 500 OG SER A 32 0.765 8.960 3.104 1.00 0.00 O ATOM 0 H SER A 32 -0.512 6.926 1.165 1.00 0.00 H new ATOM 0 HA SER A 32 2.351 7.121 1.829 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.128 7.176 3.598 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.527 7.360 4.143 1.00 0.00 H new ATOM 0 HG SER A 32 0.028 9.155 2.488 1.00 0.00 H new ATOM 506 N ILE A 33 2.213 4.858 3.200 1.00 0.00 N ATOM 507 CA ILE A 33 2.278 3.459 3.565 1.00 0.00 C ATOM 508 C ILE A 33 2.324 3.327 5.075 1.00 0.00 C ATOM 509 O ILE A 33 2.564 4.312 5.783 1.00 0.00 O ATOM 510 CB ILE A 33 3.524 2.753 2.962 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.812 3.044 3.772 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.697 3.200 1.539 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.058 2.361 3.245 1.00 0.00 C ATOM 0 H ILE A 33 2.955 5.430 3.604 1.00 0.00 H new ATOM 0 HA ILE A 33 1.387 2.978 3.163 1.00 0.00 H new ATOM 0 HB ILE A 33 3.358 1.677 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.982 4.121 3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.653 2.734 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.569 2.710 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.810 2.935 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.837 4.281 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.909 2.622 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.914 1.281 3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.248 2.689 2.223 1.00 0.00 H new ATOM 525 N GLY A 34 2.113 2.132 5.559 1.00 0.00 N ATOM 526 CA GLY A 34 2.154 1.898 6.971 1.00 0.00 C ATOM 527 C GLY A 34 3.365 1.112 7.349 1.00 0.00 C ATOM 528 O GLY A 34 3.948 1.305 8.404 1.00 0.00 O ATOM 0 H GLY A 34 1.911 1.308 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.155 2.850 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.257 1.362 7.280 1.00 0.00 H new ATOM 532 N GLY A 35 3.804 0.270 6.457 1.00 0.00 N ATOM 533 CA GLY A 35 4.951 -0.526 6.751 1.00 0.00 C ATOM 534 C GLY A 35 4.686 -1.998 6.674 1.00 0.00 C ATOM 535 O GLY A 35 3.583 -2.425 6.877 1.00 0.00 O ATOM 0 H GLY A 35 3.390 0.121 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.750 -0.271 6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.309 -0.280 7.751 1.00 0.00 H new ATOM 539 N GLY A 36 5.727 -2.756 6.405 1.00 0.00 N ATOM 540 CA GLY A 36 5.599 -4.175 6.289 1.00 0.00 C ATOM 541 C GLY A 36 6.084 -4.915 7.497 1.00 0.00 C ATOM 542 O GLY A 36 5.587 -4.722 8.584 1.00 0.00 O ATOM 0 H GLY A 36 6.673 -2.401 6.263 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.553 -4.425 6.114 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.158 -4.513 5.416 1.00 0.00 H new ATOM 546 N ILE A 37 7.102 -5.729 7.298 1.00 0.00 N ATOM 547 CA ILE A 37 7.644 -6.615 8.360 1.00 0.00 C ATOM 548 C ILE A 37 8.235 -5.836 9.533 1.00 0.00 C ATOM 549 O ILE A 37 8.321 -6.343 10.631 1.00 0.00 O ATOM 550 CB ILE A 37 8.724 -7.616 7.826 1.00 0.00 C ATOM 551 CG1 ILE A 37 10.093 -6.921 7.550 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.213 -8.317 6.569 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.087 -5.882 6.476 1.00 0.00 C ATOM 0 H ILE A 37 7.589 -5.810 6.405 1.00 0.00 H new ATOM 0 HA ILE A 37 6.781 -7.182 8.709 1.00 0.00 H new ATOM 0 HB ILE A 37 8.897 -8.357 8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.438 -6.459 8.475 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.822 -7.687 7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.971 -9.011 6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.301 -8.866 6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.001 -7.575 5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.088 -5.465 6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.779 -6.335 5.534 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.390 -5.088 6.742 1.00 0.00 H new ATOM 565 N ASP A 38 8.638 -4.600 9.272 1.00 0.00 N ATOM 566 CA ASP A 38 9.238 -3.739 10.299 1.00 0.00 C ATOM 567 C ASP A 38 8.182 -3.348 11.331 1.00 0.00 C ATOM 568 O ASP A 38 8.487 -3.006 12.470 1.00 0.00 O ATOM 569 CB ASP A 38 9.816 -2.478 9.627 1.00 0.00 C ATOM 570 CG ASP A 38 10.561 -1.549 10.577 1.00 0.00 C ATOM 571 OD1 ASP A 38 9.936 -0.647 11.155 1.00 0.00 O ATOM 572 OD2 ASP A 38 11.800 -1.675 10.695 1.00 0.00 O ATOM 0 H ASP A 38 8.562 -4.163 8.354 1.00 0.00 H new ATOM 0 HA ASP A 38 10.038 -4.277 10.807 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.494 -2.783 8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.002 -1.924 9.159 1.00 0.00 H new ATOM 577 N GLN A 39 6.935 -3.460 10.928 1.00 0.00 N ATOM 578 CA GLN A 39 5.824 -3.049 11.761 1.00 0.00 C ATOM 579 C GLN A 39 5.230 -4.305 12.389 1.00 0.00 C ATOM 580 O GLN A 39 5.381 -5.401 11.838 1.00 0.00 O ATOM 581 CB GLN A 39 4.762 -2.354 10.894 1.00 0.00 C ATOM 582 CG GLN A 39 5.326 -1.616 9.747 1.00 0.00 C ATOM 583 CD GLN A 39 6.298 -0.546 10.118 1.00 0.00 C ATOM 584 OE1 GLN A 39 6.175 0.120 11.136 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.316 -0.455 9.325 1.00 0.00 N ATOM 0 H GLN A 39 6.663 -3.836 10.020 1.00 0.00 H new ATOM 0 HA GLN A 39 6.156 -2.354 12.532 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.060 -3.102 10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.193 -1.663 11.516 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.821 -2.325 9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.509 -1.167 9.182 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.365 -1.037 8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.070 0.199 9.536 1.00 0.00 H new ATOM 594 N ASP A 40 4.546 -4.165 13.500 1.00 0.00 N ATOM 595 CA ASP A 40 3.991 -5.336 14.179 1.00 0.00 C ATOM 596 C ASP A 40 2.518 -5.437 13.865 1.00 0.00 C ATOM 597 O ASP A 40 1.755 -4.562 14.269 1.00 0.00 O ATOM 598 CB ASP A 40 4.108 -5.229 15.676 1.00 0.00 C ATOM 599 CG ASP A 40 4.094 -6.571 16.355 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.996 -7.121 16.609 1.00 0.00 O ATOM 601 OD2 ASP A 40 5.189 -7.115 16.633 1.00 0.00 O ATOM 0 H ASP A 40 4.357 -3.272 13.955 1.00 0.00 H new ATOM 0 HA ASP A 40 4.551 -6.204 13.831 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.032 -4.708 15.928 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.286 -4.624 16.059 1.00 0.00 H new ATOM 606 N PRO A 41 2.087 -6.490 13.151 1.00 0.00 N ATOM 607 CA PRO A 41 0.687 -6.673 12.718 1.00 0.00 C ATOM 608 C PRO A 41 -0.324 -6.556 13.851 1.00 0.00 C ATOM 609 O PRO A 41 -1.460 -6.147 13.638 1.00 0.00 O ATOM 610 CB PRO A 41 0.660 -8.084 12.114 1.00 0.00 C ATOM 611 CG PRO A 41 1.982 -8.693 12.446 1.00 0.00 C ATOM 612 CD PRO A 41 2.928 -7.570 12.676 1.00 0.00 C ATOM 0 HA PRO A 41 0.397 -5.890 12.017 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.157 -8.672 12.531 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.507 -8.045 11.035 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.906 -9.322 13.333 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.329 -9.330 11.633 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.689 -7.834 13.410 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.450 -7.295 11.760 1.00 0.00 H new ATOM 620 N SER A 42 0.129 -6.836 15.057 1.00 0.00 N ATOM 621 CA SER A 42 -0.723 -6.799 16.233 1.00 0.00 C ATOM 622 C SER A 42 -1.015 -5.349 16.701 1.00 0.00 C ATOM 623 O SER A 42 -1.824 -5.136 17.602 1.00 0.00 O ATOM 624 CB SER A 42 -0.054 -7.581 17.346 1.00 0.00 C ATOM 625 OG SER A 42 0.334 -8.879 16.889 1.00 0.00 O ATOM 0 H SER A 42 1.096 -7.095 15.251 1.00 0.00 H new ATOM 0 HA SER A 42 -1.682 -7.248 15.974 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.822 -7.039 17.703 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.736 -7.676 18.191 1.00 0.00 H new ATOM 0 HG SER A 42 0.765 -9.368 17.621 1.00 0.00 H new ATOM 631 N GLN A 43 -0.334 -4.372 16.108 1.00 0.00 N ATOM 632 CA GLN A 43 -0.535 -2.967 16.466 1.00 0.00 C ATOM 633 C GLN A 43 -0.630 -2.109 15.211 1.00 0.00 C ATOM 634 O GLN A 43 -0.576 -0.867 15.258 1.00 0.00 O ATOM 635 CB GLN A 43 0.606 -2.502 17.370 1.00 0.00 C ATOM 636 CG GLN A 43 1.988 -2.543 16.760 1.00 0.00 C ATOM 637 CD GLN A 43 3.032 -2.988 17.755 1.00 0.00 C ATOM 638 OE1 GLN A 43 4.175 -2.539 17.724 1.00 0.00 O ATOM 639 NE2 GLN A 43 2.685 -3.963 18.545 1.00 0.00 N ATOM 0 H GLN A 43 0.362 -4.525 15.378 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.473 -2.862 17.011 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.400 -1.480 17.687 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.607 -3.120 18.268 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.988 -3.221 15.907 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.247 -1.554 16.381 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.725 -4.307 18.540 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.374 -4.383 19.169 1.00 0.00 H new ATOM 648 N ASN A 44 -0.787 -2.776 14.105 1.00 0.00 N ATOM 649 CA ASN A 44 -0.878 -2.134 12.808 1.00 0.00 C ATOM 650 C ASN A 44 -2.311 -1.971 12.372 1.00 0.00 C ATOM 651 O ASN A 44 -3.141 -2.794 12.696 1.00 0.00 O ATOM 652 CB ASN A 44 -0.166 -2.940 11.768 1.00 0.00 C ATOM 653 CG ASN A 44 1.327 -2.892 11.842 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.914 -1.943 12.359 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.961 -3.889 11.266 1.00 0.00 N ATOM 0 H ASN A 44 -0.857 -3.793 14.068 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.415 -1.153 12.909 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.486 -3.979 11.853 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.477 -2.591 10.783 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.981 -3.895 11.236 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.433 -4.656 10.849 1.00 0.00 H new ATOM 662 N PRO A 45 -2.597 -0.931 11.579 1.00 0.00 N ATOM 663 CA PRO A 45 -3.955 -0.619 11.133 1.00 0.00 C ATOM 664 C PRO A 45 -4.491 -1.553 10.030 1.00 0.00 C ATOM 665 O PRO A 45 -5.613 -1.995 10.087 1.00 0.00 O ATOM 666 CB PRO A 45 -3.806 0.802 10.596 1.00 0.00 C ATOM 667 CG PRO A 45 -2.398 0.871 10.117 1.00 0.00 C ATOM 668 CD PRO A 45 -1.614 0.055 11.077 1.00 0.00 C ATOM 0 HA PRO A 45 -4.675 -0.738 11.943 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.511 0.997 9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.998 1.542 11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.308 0.479 9.104 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.041 1.901 10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.769 -0.433 10.592 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.209 0.665 11.885 1.00 0.00 H new ATOM 676 N PHE A 46 -3.693 -1.830 9.012 1.00 0.00 N ATOM 677 CA PHE A 46 -4.180 -2.639 7.900 1.00 0.00 C ATOM 678 C PHE A 46 -3.452 -3.958 7.834 1.00 0.00 C ATOM 679 O PHE A 46 -3.593 -4.723 6.896 1.00 0.00 O ATOM 680 CB PHE A 46 -4.059 -1.858 6.587 1.00 0.00 C ATOM 681 CG PHE A 46 -4.723 -0.509 6.662 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.095 -0.383 6.515 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.974 0.631 6.897 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.699 0.854 6.605 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.574 1.864 6.987 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.932 1.976 6.843 1.00 0.00 C ATOM 0 H PHE A 46 -2.726 -1.516 8.929 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.234 -2.862 8.063 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.005 -1.729 6.339 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.507 -2.437 5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.696 -1.260 6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.903 0.550 7.011 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.769 0.944 6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.976 2.744 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.403 2.945 6.916 1.00 0.00 H new ATOM 696 N SER A 47 -2.690 -4.220 8.855 1.00 0.00 N ATOM 697 CA SER A 47 -1.942 -5.460 8.950 1.00 0.00 C ATOM 698 C SER A 47 -2.648 -6.352 9.965 1.00 0.00 C ATOM 699 O SER A 47 -2.318 -7.515 10.132 1.00 0.00 O ATOM 700 CB SER A 47 -0.539 -5.135 9.425 1.00 0.00 C ATOM 701 OG SER A 47 0.398 -6.193 9.306 1.00 0.00 O ATOM 0 H SER A 47 -2.563 -3.590 9.647 1.00 0.00 H new ATOM 0 HA SER A 47 -1.886 -5.969 7.988 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.170 -4.279 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.588 -4.830 10.470 1.00 0.00 H new ATOM 0 HG SER A 47 1.293 -5.822 9.161 1.00 0.00 H new ATOM 782 N LYS A 53 2.293 -9.454 7.036 1.00 0.00 N ATOM 783 CA LYS A 53 3.065 -8.255 6.850 1.00 0.00 C ATOM 784 C LYS A 53 2.976 -7.816 5.400 1.00 0.00 C ATOM 785 O LYS A 53 2.392 -8.515 4.551 1.00 0.00 O ATOM 786 CB LYS A 53 4.533 -8.530 7.154 1.00 0.00 C ATOM 787 CG LYS A 53 4.825 -9.219 8.478 1.00 0.00 C ATOM 788 CD LYS A 53 4.568 -8.381 9.680 1.00 0.00 C ATOM 789 CE LYS A 53 5.374 -8.948 10.848 1.00 0.00 C ATOM 790 NZ LYS A 53 5.128 -10.406 11.070 1.00 0.00 N ATOM 0 HA LYS A 53 2.674 -7.485 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.940 -9.144 6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.071 -7.582 7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.219 -10.122 8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.868 -9.534 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.854 -7.347 9.489 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.505 -8.378 9.920 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.436 -8.788 10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.123 -8.400 11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.488 -10.680 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.107 -10.597 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.617 -10.956 10.336 1.00 0.00 H new ATOM 804 N GLY A 54 3.572 -6.699 5.118 1.00 0.00 N ATOM 805 CA GLY A 54 3.637 -6.189 3.783 1.00 0.00 C ATOM 806 C GLY A 54 3.402 -4.721 3.807 1.00 0.00 C ATOM 807 O GLY A 54 2.894 -4.219 4.776 1.00 0.00 O ATOM 0 H GLY A 54 4.031 -6.111 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.611 -6.406 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.890 -6.678 3.157 1.00 0.00 H new ATOM 811 N ILE A 55 3.834 -4.033 2.817 1.00 0.00 N ATOM 812 CA ILE A 55 3.635 -2.622 2.734 1.00 0.00 C ATOM 813 C ILE A 55 2.242 -2.337 2.224 1.00 0.00 C ATOM 814 O ILE A 55 1.868 -2.746 1.140 1.00 0.00 O ATOM 815 CB ILE A 55 4.697 -1.948 1.833 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.098 -2.160 2.425 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.393 -0.459 1.670 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.340 -1.425 3.702 1.00 0.00 C ATOM 0 H ILE A 55 4.343 -4.432 2.028 1.00 0.00 H new ATOM 0 HA ILE A 55 3.747 -2.200 3.733 1.00 0.00 H new ATOM 0 HB ILE A 55 4.666 -2.407 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.250 -3.225 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.841 -1.847 1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.150 -0.001 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.411 -0.336 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.401 0.023 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.352 -1.629 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.223 -0.355 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.622 -1.755 4.453 1.00 0.00 H new ATOM 830 N TYR A 56 1.480 -1.684 3.028 1.00 0.00 N ATOM 831 CA TYR A 56 0.140 -1.325 2.686 1.00 0.00 C ATOM 832 C TYR A 56 -0.020 0.147 2.734 1.00 0.00 C ATOM 833 O TYR A 56 0.736 0.841 3.430 1.00 0.00 O ATOM 834 CB TYR A 56 -0.870 -2.016 3.597 1.00 0.00 C ATOM 835 CG TYR A 56 -0.386 -2.104 4.998 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.434 -1.024 5.859 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.183 -3.261 5.433 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.062 -1.120 7.123 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.688 -3.375 6.676 1.00 0.00 C ATOM 840 CZ TYR A 56 0.626 -2.298 7.532 1.00 0.00 C ATOM 841 OH TYR A 56 1.152 -2.393 8.780 1.00 0.00 O ATOM 0 H TYR A 56 1.770 -1.377 3.957 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.056 -1.664 1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.813 -1.470 3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.072 -3.018 3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.870 -0.094 5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.231 -4.108 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.011 -0.276 7.795 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.138 -4.302 6.999 1.00 0.00 H new ATOM 0 HH TYR A 56 2.130 -2.412 8.722 1.00 0.00 H new ATOM 851 N VAL A 57 -0.971 0.607 2.006 1.00 0.00 N ATOM 852 CA VAL A 57 -1.279 1.995 1.903 1.00 0.00 C ATOM 853 C VAL A 57 -2.135 2.442 3.096 1.00 0.00 C ATOM 854 O VAL A 57 -3.114 1.774 3.462 1.00 0.00 O ATOM 855 CB VAL A 57 -1.993 2.273 0.553 1.00 0.00 C ATOM 856 CG1 VAL A 57 -3.218 1.447 0.406 1.00 0.00 C ATOM 857 CG2 VAL A 57 -2.308 3.724 0.365 1.00 0.00 C ATOM 0 H VAL A 57 -1.580 0.011 1.445 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.356 2.575 1.926 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.293 1.988 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.693 1.667 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.951 0.391 0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.911 1.676 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.807 3.867 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.963 4.061 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.384 4.302 0.383 1.00 0.00 H new ATOM 867 N THR A 58 -1.752 3.531 3.716 1.00 0.00 N ATOM 868 CA THR A 58 -2.469 4.028 4.855 1.00 0.00 C ATOM 869 C THR A 58 -3.269 5.266 4.505 1.00 0.00 C ATOM 870 O THR A 58 -4.212 5.644 5.204 1.00 0.00 O ATOM 871 CB THR A 58 -1.487 4.316 5.973 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.334 4.985 5.424 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.079 3.018 6.658 1.00 0.00 C ATOM 0 H THR A 58 -0.943 4.090 3.446 1.00 0.00 H new ATOM 0 HA THR A 58 -3.180 3.270 5.185 1.00 0.00 H new ATOM 0 HB THR A 58 -1.955 4.960 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.370 5.034 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.373 3.236 7.460 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.962 2.533 7.074 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.609 2.355 5.931 1.00 0.00 H new ATOM 881 N ARG A 59 -2.887 5.875 3.419 1.00 0.00 N ATOM 882 CA ARG A 59 -3.518 7.055 2.882 1.00 0.00 C ATOM 883 C ARG A 59 -3.239 7.067 1.427 1.00 0.00 C ATOM 884 O ARG A 59 -2.138 6.766 1.053 1.00 0.00 O ATOM 885 CB ARG A 59 -2.880 8.316 3.448 1.00 0.00 C ATOM 886 CG ARG A 59 -3.200 8.669 4.875 1.00 0.00 C ATOM 887 CD ARG A 59 -2.586 10.012 5.247 1.00 0.00 C ATOM 888 NE ARG A 59 -1.124 10.052 5.042 1.00 0.00 N ATOM 889 CZ ARG A 59 -0.295 10.939 5.607 1.00 0.00 C ATOM 890 NH1 ARG A 59 -0.780 11.919 6.367 1.00 0.00 N ATOM 891 NH2 ARG A 59 1.009 10.866 5.371 1.00 0.00 N ATOM 0 H ARG A 59 -2.097 5.554 2.859 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.581 7.037 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.798 8.216 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.175 9.155 2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.281 8.707 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.821 7.893 5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.053 10.797 4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.807 10.230 6.292 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.715 9.351 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.786 11.996 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.146 12.593 6.796 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.377 10.136 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.643 11.540 5.800 1.00 0.00 H new ATOM 905 N VAL A 60 -4.191 7.353 0.595 1.00 0.00 N ATOM 906 CA VAL A 60 -3.927 7.495 -0.722 1.00 0.00 C ATOM 907 C VAL A 60 -3.848 8.965 -1.029 1.00 0.00 C ATOM 908 O VAL A 60 -3.958 9.801 -0.122 1.00 0.00 O ATOM 909 CB VAL A 60 -5.000 6.830 -1.553 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.122 5.366 -1.252 1.00 0.00 C ATOM 911 CG2 VAL A 60 -6.334 7.536 -1.522 1.00 0.00 C ATOM 0 H VAL A 60 -5.168 7.487 0.856 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.980 7.015 -0.968 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.659 6.922 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.905 4.931 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.174 4.871 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.375 5.231 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.047 6.994 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.702 7.574 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.218 8.550 -1.903 1.00 0.00 H new ATOM 921 N SER A 61 -3.652 9.285 -2.256 1.00 0.00 N ATOM 922 CA SER A 61 -3.633 10.639 -2.644 1.00 0.00 C ATOM 923 C SER A 61 -5.076 11.094 -2.669 1.00 0.00 C ATOM 924 O SER A 61 -5.885 10.503 -3.375 1.00 0.00 O ATOM 925 CB SER A 61 -3.011 10.763 -4.013 1.00 0.00 C ATOM 926 OG SER A 61 -2.568 12.083 -4.265 1.00 0.00 O ATOM 0 H SER A 61 -3.502 8.617 -3.012 1.00 0.00 H new ATOM 0 HA SER A 61 -3.046 11.251 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.170 10.074 -4.095 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.737 10.471 -4.771 1.00 0.00 H new ATOM 0 HG SER A 61 -1.758 12.057 -4.816 1.00 0.00 H new ATOM 932 N GLU A 62 -5.374 12.122 -1.899 1.00 0.00 N ATOM 933 CA GLU A 62 -6.740 12.648 -1.715 1.00 0.00 C ATOM 934 C GLU A 62 -7.397 13.096 -3.033 1.00 0.00 C ATOM 935 O GLU A 62 -8.613 13.245 -3.111 1.00 0.00 O ATOM 936 CB GLU A 62 -6.702 13.804 -0.722 1.00 0.00 C ATOM 937 CG GLU A 62 -5.858 14.976 -1.182 1.00 0.00 C ATOM 938 CD GLU A 62 -5.787 16.061 -0.159 1.00 0.00 C ATOM 939 OE1 GLU A 62 -6.780 16.769 0.042 1.00 0.00 O ATOM 940 OE2 GLU A 62 -4.732 16.231 0.461 1.00 0.00 O ATOM 0 H GLU A 62 -4.670 12.635 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.355 11.835 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.720 14.150 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.315 13.441 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.850 14.628 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.272 15.378 -2.106 1.00 0.00 H new ATOM 947 N GLY A 63 -6.585 13.311 -4.030 1.00 0.00 N ATOM 948 CA GLY A 63 -7.042 13.723 -5.321 1.00 0.00 C ATOM 949 C GLY A 63 -5.915 13.607 -6.277 1.00 0.00 C ATOM 950 O GLY A 63 -5.637 14.518 -7.067 1.00 0.00 O ATOM 0 H GLY A 63 -5.573 13.202 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.878 13.102 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.404 14.750 -5.285 1.00 0.00 H new ATOM 954 N GLY A 64 -5.251 12.486 -6.198 1.00 0.00 N ATOM 955 CA GLY A 64 -4.078 12.275 -6.970 1.00 0.00 C ATOM 956 C GLY A 64 -4.066 10.946 -7.665 1.00 0.00 C ATOM 957 O GLY A 64 -5.040 10.194 -7.574 1.00 0.00 O ATOM 0 H GLY A 64 -5.513 11.704 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.991 13.068 -7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.205 12.348 -6.322 1.00 0.00 H new ATOM 961 N PRO A 65 -2.900 10.561 -8.217 1.00 0.00 N ATOM 962 CA PRO A 65 -2.759 9.410 -9.121 1.00 0.00 C ATOM 963 C PRO A 65 -3.143 8.103 -8.461 1.00 0.00 C ATOM 964 O PRO A 65 -3.645 7.202 -9.106 1.00 0.00 O ATOM 965 CB PRO A 65 -1.265 9.404 -9.469 1.00 0.00 C ATOM 966 CG PRO A 65 -0.614 10.155 -8.369 1.00 0.00 C ATOM 967 CD PRO A 65 -1.602 11.181 -7.930 1.00 0.00 C ATOM 0 HA PRO A 65 -3.415 9.499 -9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.879 8.387 -9.535 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.082 9.878 -10.433 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.350 9.491 -7.546 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.309 10.623 -8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.495 11.412 -6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.476 12.117 -8.475 1.00 0.00 H new ATOM 975 N ALA A 66 -2.905 8.029 -7.166 1.00 0.00 N ATOM 976 CA ALA A 66 -3.224 6.868 -6.370 1.00 0.00 C ATOM 977 C ALA A 66 -4.702 6.513 -6.476 1.00 0.00 C ATOM 978 O ALA A 66 -5.047 5.425 -6.968 1.00 0.00 O ATOM 979 CB ALA A 66 -2.823 7.091 -4.927 1.00 0.00 C ATOM 0 H ALA A 66 -2.478 8.787 -6.633 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.655 6.024 -6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.070 6.207 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.750 7.275 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.360 7.952 -4.529 1.00 0.00 H new ATOM 985 N GLU A 67 -5.580 7.439 -6.075 1.00 0.00 N ATOM 986 CA GLU A 67 -7.014 7.168 -6.150 1.00 0.00 C ATOM 987 C GLU A 67 -7.503 7.159 -7.605 1.00 0.00 C ATOM 988 O GLU A 67 -8.461 6.451 -7.944 1.00 0.00 O ATOM 989 CB GLU A 67 -7.852 8.152 -5.312 1.00 0.00 C ATOM 990 CG GLU A 67 -7.789 9.611 -5.753 1.00 0.00 C ATOM 991 CD GLU A 67 -9.163 10.227 -5.818 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.907 9.950 -6.788 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.543 10.959 -4.893 1.00 0.00 O ATOM 0 H GLU A 67 -5.330 8.356 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.158 6.176 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.892 7.828 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.523 8.090 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.168 10.176 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.313 9.676 -6.731 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.842 7.948 -8.451 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.168 8.040 -9.874 1.00 0.00 C ATOM 1002 C ILE A 68 -6.965 6.697 -10.574 1.00 0.00 C ATOM 1003 O ILE A 68 -7.781 6.278 -11.406 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.335 9.165 -10.574 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.726 10.564 -10.056 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.418 9.104 -12.092 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.186 10.925 -10.217 1.00 0.00 C ATOM 0 H ILE A 68 -6.063 8.543 -8.168 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.222 8.305 -9.954 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.294 8.981 -10.308 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.467 10.628 -8.999 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.124 11.308 -10.578 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.821 9.908 -12.522 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.037 8.144 -12.439 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.456 9.216 -12.404 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.359 11.926 -9.823 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.453 10.900 -11.274 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.800 10.209 -9.671 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.900 6.023 -10.226 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.603 4.737 -10.794 1.00 0.00 C ATOM 1021 C ALA A 69 -6.465 3.657 -10.150 1.00 0.00 C ATOM 1022 O ALA A 69 -7.207 2.946 -10.838 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.144 4.432 -10.623 1.00 0.00 C ATOM 0 H ALA A 69 -5.217 6.350 -9.543 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.832 4.756 -11.859 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.923 3.456 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.551 5.195 -11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.896 4.423 -9.562 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.385 3.542 -8.843 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.205 2.553 -8.159 1.00 0.00 C ATOM 1031 C GLY A 70 -6.606 2.044 -6.865 1.00 0.00 C ATOM 1032 O GLY A 70 -6.944 0.953 -6.410 1.00 0.00 O ATOM 0 H GLY A 70 -5.780 4.101 -8.242 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.182 2.989 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.370 1.708 -8.828 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.721 2.817 -6.279 1.00 0.00 N ATOM 1037 CA LEU A 71 -5.118 2.455 -5.010 1.00 0.00 C ATOM 1038 C LEU A 71 -5.999 2.971 -3.903 1.00 0.00 C ATOM 1039 O LEU A 71 -6.289 4.167 -3.854 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.665 2.999 -4.955 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.782 2.742 -3.721 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -3.061 1.378 -3.133 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.355 2.725 -4.197 1.00 0.00 C ATOM 0 H LEU A 71 -5.399 3.706 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.044 1.374 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.137 2.595 -5.819 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.720 4.079 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.977 3.509 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.425 1.220 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.107 1.318 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.852 0.611 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.691 2.545 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.227 1.932 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.111 3.685 -4.651 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.495 2.064 -3.081 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.409 2.393 -2.005 1.00 0.00 C ATOM 1057 C GLN A 72 -6.754 2.096 -0.680 1.00 0.00 C ATOM 1058 O GLN A 72 -6.028 1.134 -0.563 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.703 1.568 -2.140 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.421 1.758 -3.468 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.928 3.170 -3.659 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -11.071 3.489 -3.327 1.00 0.00 O ATOM 1063 NE2 GLN A 72 -9.073 4.038 -4.111 1.00 0.00 N ATOM 0 H GLN A 72 -6.272 1.071 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.658 3.453 -2.059 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.463 0.512 -2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.381 1.838 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.742 1.506 -4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.260 1.064 -3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.135 3.739 -4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.340 5.018 -4.200 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.979 2.952 0.290 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.439 2.771 1.650 1.00 0.00 C ATOM 1074 C ILE A 73 -6.722 1.346 2.189 1.00 0.00 C ATOM 1075 O ILE A 73 -7.870 0.882 2.179 1.00 0.00 O ATOM 1076 CB ILE A 73 -7.021 3.824 2.640 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.667 5.243 2.187 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.509 3.581 4.043 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -7.134 6.330 3.136 1.00 0.00 C ATOM 0 H ILE A 73 -7.538 3.797 0.176 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.361 2.912 1.579 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.106 3.720 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.586 5.317 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.106 5.420 1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.928 4.328 4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.808 2.586 4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.421 3.654 4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.844 7.305 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.219 6.286 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.675 6.182 4.113 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.678 0.656 2.632 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.850 -0.684 3.133 1.00 0.00 C ATOM 1093 C GLY A 74 -5.423 -1.725 2.128 1.00 0.00 C ATOM 1094 O GLY A 74 -5.505 -2.932 2.404 1.00 0.00 O ATOM 0 H GLY A 74 -4.719 1.004 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.271 -0.805 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.896 -0.841 3.395 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.979 -1.275 0.960 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.492 -2.185 -0.060 1.00 0.00 C ATOM 1100 C ASP A 75 -3.084 -2.569 0.267 1.00 0.00 C ATOM 1101 O ASP A 75 -2.252 -1.709 0.605 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.557 -1.595 -1.489 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.962 -1.494 -2.071 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.860 -2.240 -1.628 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -6.180 -0.700 -3.024 1.00 0.00 O ATOM 0 H ASP A 75 -4.948 -0.289 0.700 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.146 -3.057 -0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.110 -0.601 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.948 -2.211 -2.150 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.821 -3.839 0.215 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.521 -4.361 0.524 1.00 0.00 C ATOM 1112 C LYS A 76 -0.735 -4.503 -0.762 1.00 0.00 C ATOM 1113 O LYS A 76 -1.040 -5.379 -1.597 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.668 -5.705 1.248 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.443 -5.609 2.560 1.00 0.00 C ATOM 1116 CD LYS A 76 -2.690 -6.977 3.179 1.00 0.00 C ATOM 1117 CE LYS A 76 -3.358 -6.847 4.542 1.00 0.00 C ATOM 1118 NZ LYS A 76 -3.649 -8.155 5.156 1.00 0.00 N ATOM 0 H LYS A 76 -3.506 -4.549 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.982 -3.684 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.173 -6.411 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.676 -6.110 1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.889 -4.988 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.398 -5.114 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.319 -7.571 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.744 -7.509 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.712 -6.273 5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.286 -6.285 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.103 -8.011 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.288 -8.695 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.762 -8.683 5.284 1.00 0.00 H new ATOM 1132 N ILE A 77 0.246 -3.641 -0.941 1.00 0.00 N ATOM 1133 CA ILE A 77 1.017 -3.604 -2.156 1.00 0.00 C ATOM 1134 C ILE A 77 2.041 -4.726 -2.117 1.00 0.00 C ATOM 1135 O ILE A 77 2.824 -4.823 -1.187 1.00 0.00 O ATOM 1136 CB ILE A 77 1.786 -2.251 -2.407 1.00 0.00 C ATOM 1137 CG1 ILE A 77 0.921 -0.973 -2.266 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.383 -2.272 -3.787 1.00 0.00 C ATOM 1139 CD1 ILE A 77 0.666 -0.523 -0.850 1.00 0.00 C ATOM 0 H ILE A 77 0.527 -2.949 -0.246 1.00 0.00 H new ATOM 0 HA ILE A 77 0.300 -3.712 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 77 2.545 -2.195 -1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.410 -0.162 -2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.038 -1.147 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.916 -1.339 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.077 -3.108 -3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.589 -2.384 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.052 0.378 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.145 -1.311 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.616 -0.310 -0.359 1.00 0.00 H new ATOM 1151 N MET A 78 2.044 -5.553 -3.127 1.00 0.00 N ATOM 1152 CA MET A 78 2.939 -6.680 -3.162 1.00 0.00 C ATOM 1153 C MET A 78 3.981 -6.539 -4.256 1.00 0.00 C ATOM 1154 O MET A 78 4.955 -7.291 -4.301 1.00 0.00 O ATOM 1155 CB MET A 78 2.159 -7.992 -3.306 1.00 0.00 C ATOM 1156 CG MET A 78 1.275 -8.273 -2.109 1.00 0.00 C ATOM 1157 SD MET A 78 2.226 -8.353 -0.586 1.00 0.00 S ATOM 1158 CE MET A 78 0.935 -8.336 0.624 1.00 0.00 C ATOM 0 H MET A 78 1.434 -5.468 -3.940 1.00 0.00 H new ATOM 0 HA MET A 78 3.472 -6.704 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.545 -7.949 -4.206 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.860 -8.816 -3.438 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.518 -7.494 -2.025 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.748 -9.215 -2.259 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.194 -7.641 1.423 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.002 -8.020 0.157 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.812 -9.336 1.039 1.00 0.00 H new ATOM 1168 N GLN A 79 3.822 -5.547 -5.104 1.00 0.00 N ATOM 1169 CA GLN A 79 4.723 -5.349 -6.224 1.00 0.00 C ATOM 1170 C GLN A 79 4.657 -3.862 -6.646 1.00 0.00 C ATOM 1171 O GLN A 79 3.583 -3.290 -6.677 1.00 0.00 O ATOM 1172 CB GLN A 79 4.301 -6.364 -7.325 1.00 0.00 C ATOM 1173 CG GLN A 79 5.143 -6.494 -8.592 1.00 0.00 C ATOM 1174 CD GLN A 79 4.943 -5.376 -9.579 1.00 0.00 C ATOM 1175 OE1 GLN A 79 4.060 -5.419 -10.415 1.00 0.00 O ATOM 1176 NE2 GLN A 79 5.791 -4.421 -9.548 1.00 0.00 N ATOM 0 H GLN A 79 3.072 -4.859 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 79 5.770 -5.542 -5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.256 -7.349 -6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.287 -6.109 -7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.196 -6.534 -8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.905 -7.440 -9.078 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.521 -4.410 -8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.738 -3.669 -10.235 1.00 0.00 H new ATOM 1185 N VAL A 80 5.819 -3.250 -6.909 1.00 0.00 N ATOM 1186 CA VAL A 80 5.954 -1.815 -7.252 1.00 0.00 C ATOM 1187 C VAL A 80 7.043 -1.631 -8.309 1.00 0.00 C ATOM 1188 O VAL A 80 8.187 -1.938 -8.061 1.00 0.00 O ATOM 1189 CB VAL A 80 6.329 -0.941 -5.991 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.804 0.472 -6.360 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.170 -0.854 -5.028 1.00 0.00 C ATOM 0 H VAL A 80 6.713 -3.741 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 80 4.988 -1.483 -7.633 1.00 0.00 H new ATOM 0 HB VAL A 80 7.164 -1.450 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.047 1.023 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.690 0.405 -6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.013 0.992 -6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.455 -0.247 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.315 -0.397 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.901 -1.855 -4.691 1.00 0.00 H new ATOM 1201 N ASN A 81 6.643 -1.181 -9.489 1.00 0.00 N ATOM 1202 CA ASN A 81 7.546 -0.863 -10.618 1.00 0.00 C ATOM 1203 C ASN A 81 8.507 -2.002 -10.909 1.00 0.00 C ATOM 1204 O ASN A 81 9.723 -1.869 -10.810 1.00 0.00 O ATOM 1205 CB ASN A 81 8.309 0.432 -10.393 1.00 0.00 C ATOM 1206 CG ASN A 81 8.664 1.088 -11.703 1.00 0.00 C ATOM 1207 OD1 ASN A 81 9.707 0.861 -12.291 1.00 0.00 O ATOM 1208 ND2 ASN A 81 7.757 1.885 -12.159 1.00 0.00 N ATOM 0 H ASN A 81 5.660 -1.018 -9.707 1.00 0.00 H new ATOM 0 HA ASN A 81 6.908 -0.726 -11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.706 1.114 -9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.218 0.228 -9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.896 2.359 -13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.901 2.041 -11.627 1.00 0.00 H new ATOM 1215 N GLY A 82 7.928 -3.121 -11.179 1.00 0.00 N ATOM 1216 CA GLY A 82 8.646 -4.355 -11.457 1.00 0.00 C ATOM 1217 C GLY A 82 9.292 -5.028 -10.236 1.00 0.00 C ATOM 1218 O GLY A 82 9.626 -6.210 -10.283 1.00 0.00 O ATOM 0 H GLY A 82 6.914 -3.224 -11.218 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.956 -5.062 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.425 -4.146 -12.190 1.00 0.00 H new ATOM 1222 N TRP A 83 9.459 -4.293 -9.165 1.00 0.00 N ATOM 1223 CA TRP A 83 10.059 -4.804 -7.948 1.00 0.00 C ATOM 1224 C TRP A 83 8.964 -5.361 -7.035 1.00 0.00 C ATOM 1225 O TRP A 83 7.793 -4.989 -7.180 1.00 0.00 O ATOM 1226 CB TRP A 83 10.907 -3.657 -7.294 1.00 0.00 C ATOM 1227 CG TRP A 83 10.589 -3.245 -5.870 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.440 -2.669 -5.418 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.468 -3.303 -4.742 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.531 -2.416 -4.073 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.764 -2.781 -3.641 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.773 -3.758 -4.547 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.311 -2.699 -2.380 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.320 -3.673 -3.279 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.589 -3.143 -2.211 1.00 0.00 C ATOM 0 H TRP A 83 9.181 -3.313 -9.108 1.00 0.00 H new ATOM 0 HA TRP A 83 10.738 -5.633 -8.148 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.954 -3.959 -7.326 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.811 -2.773 -7.924 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.580 -2.444 -6.031 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.792 -2.018 -3.493 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.343 -4.167 -5.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.746 -2.296 -1.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.328 -4.022 -3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.045 -3.084 -1.234 1.00 0.00 H new ATOM 1246 N ASP A 84 9.316 -6.252 -6.140 1.00 0.00 N ATOM 1247 CA ASP A 84 8.356 -6.817 -5.214 1.00 0.00 C ATOM 1248 C ASP A 84 8.311 -5.984 -3.943 1.00 0.00 C ATOM 1249 O ASP A 84 9.338 -5.590 -3.400 1.00 0.00 O ATOM 1250 CB ASP A 84 8.643 -8.300 -4.883 1.00 0.00 C ATOM 1251 CG ASP A 84 9.866 -8.540 -4.013 1.00 0.00 C ATOM 1252 OD1 ASP A 84 9.755 -8.510 -2.773 1.00 0.00 O ATOM 1253 OD2 ASP A 84 10.964 -8.775 -4.560 1.00 0.00 O ATOM 0 H ASP A 84 10.267 -6.606 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 84 7.382 -6.792 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.771 -8.720 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.767 -8.847 -5.817 1.00 0.00 H new ATOM 1258 N MET A 85 7.124 -5.703 -3.501 1.00 0.00 N ATOM 1259 CA MET A 85 6.891 -4.877 -2.315 1.00 0.00 C ATOM 1260 C MET A 85 6.269 -5.760 -1.203 1.00 0.00 C ATOM 1261 O MET A 85 5.976 -5.310 -0.092 1.00 0.00 O ATOM 1262 CB MET A 85 5.946 -3.710 -2.709 1.00 0.00 C ATOM 1263 CG MET A 85 5.624 -2.723 -1.595 1.00 0.00 C ATOM 1264 SD MET A 85 7.045 -1.743 -1.056 1.00 0.00 S ATOM 1265 CE MET A 85 7.275 -0.590 -2.384 1.00 0.00 C ATOM 0 H MET A 85 6.268 -6.035 -3.945 1.00 0.00 H new ATOM 0 HA MET A 85 7.823 -4.458 -1.935 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.398 -3.163 -3.536 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.011 -4.131 -3.079 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.838 -2.049 -1.935 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.227 -3.271 -0.740 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.242 -0.099 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.241 -1.120 -3.336 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.483 0.159 -2.357 1.00 0.00 H new ATOM 1275 N THR A 86 6.114 -7.035 -1.528 1.00 0.00 N ATOM 1276 CA THR A 86 5.491 -8.018 -0.654 1.00 0.00 C ATOM 1277 C THR A 86 6.246 -8.206 0.687 1.00 0.00 C ATOM 1278 O THR A 86 5.623 -8.394 1.747 1.00 0.00 O ATOM 1279 CB THR A 86 5.299 -9.390 -1.392 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.583 -10.315 -0.564 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.632 -10.005 -1.814 1.00 0.00 C ATOM 0 H THR A 86 6.422 -7.422 -2.420 1.00 0.00 H new ATOM 0 HA THR A 86 4.508 -7.621 -0.399 1.00 0.00 H new ATOM 0 HB THR A 86 4.720 -9.187 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.694 -9.954 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.451 -10.953 -2.321 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.149 -9.324 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.249 -10.177 -0.932 1.00 0.00 H new ATOM 1289 N MET A 87 7.553 -8.122 0.651 1.00 0.00 N ATOM 1290 CA MET A 87 8.355 -8.305 1.830 1.00 0.00 C ATOM 1291 C MET A 87 9.464 -7.301 1.826 1.00 0.00 C ATOM 1292 O MET A 87 10.512 -7.510 1.222 1.00 0.00 O ATOM 1293 CB MET A 87 8.896 -9.742 1.927 1.00 0.00 C ATOM 1294 CG MET A 87 9.790 -10.005 3.139 1.00 0.00 C ATOM 1295 SD MET A 87 10.336 -11.726 3.255 1.00 0.00 S ATOM 1296 CE MET A 87 8.774 -12.566 3.542 1.00 0.00 C ATOM 0 H MET A 87 8.087 -7.925 -0.195 1.00 0.00 H new ATOM 0 HA MET A 87 7.734 -8.148 2.712 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.053 -10.432 1.957 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.459 -9.966 1.021 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.664 -9.355 3.087 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.249 -9.739 4.047 1.00 0.00 H new ATOM 0 HE1 MET A 87 8.964 -13.560 3.947 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.178 -11.993 4.252 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.231 -12.655 2.601 1.00 0.00 H new ATOM 1306 N VAL A 88 9.200 -6.184 2.428 1.00 0.00 N ATOM 1307 CA VAL A 88 10.140 -5.113 2.480 1.00 0.00 C ATOM 1308 C VAL A 88 9.820 -4.216 3.667 1.00 0.00 C ATOM 1309 O VAL A 88 8.657 -4.174 4.147 1.00 0.00 O ATOM 1310 CB VAL A 88 10.114 -4.310 1.153 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.750 -3.714 0.899 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.186 -3.250 1.139 1.00 0.00 C ATOM 0 H VAL A 88 8.317 -5.990 2.901 1.00 0.00 H new ATOM 0 HA VAL A 88 11.145 -5.517 2.607 1.00 0.00 H new ATOM 0 HB VAL A 88 10.324 -5.005 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.765 -3.158 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.010 -4.512 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.489 -3.041 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.144 -2.703 0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.026 -2.560 1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.164 -3.720 1.243 1.00 0.00 H new ATOM 1322 N THR A 89 10.835 -3.585 4.204 1.00 0.00 N ATOM 1323 CA THR A 89 10.691 -2.687 5.291 1.00 0.00 C ATOM 1324 C THR A 89 10.018 -1.428 4.845 1.00 0.00 C ATOM 1325 O THR A 89 10.034 -1.087 3.666 1.00 0.00 O ATOM 1326 CB THR A 89 12.053 -2.338 5.892 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.008 -2.201 4.835 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.505 -3.380 6.889 1.00 0.00 C ATOM 0 H THR A 89 11.797 -3.693 3.882 1.00 0.00 H new ATOM 0 HA THR A 89 10.080 -3.179 6.048 1.00 0.00 H new ATOM 0 HB THR A 89 11.966 -1.396 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.804 -2.733 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.477 -3.098 7.295 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.779 -3.447 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.586 -4.347 6.393 1.00 0.00 H new ATOM 1336 N HIS A 90 9.425 -0.752 5.796 1.00 0.00 N ATOM 1337 CA HIS A 90 8.784 0.526 5.574 1.00 0.00 C ATOM 1338 C HIS A 90 9.776 1.476 4.916 1.00 0.00 C ATOM 1339 O HIS A 90 9.459 2.104 3.941 1.00 0.00 O ATOM 1340 CB HIS A 90 8.327 1.087 6.926 1.00 0.00 C ATOM 1341 CG HIS A 90 7.554 2.379 6.885 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.212 2.470 7.147 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.950 3.629 6.580 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.834 3.726 6.974 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.853 4.485 6.633 1.00 0.00 N ATOM 0 H HIS A 90 9.371 -1.076 6.762 1.00 0.00 H new ATOM 0 HA HIS A 90 7.920 0.411 4.920 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.710 0.335 7.418 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.208 1.235 7.551 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.960 3.922 6.333 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.822 4.082 7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.842 5.488 6.447 1.00 0.00 H new ATOM 1353 N ASP A 91 10.988 1.494 5.437 1.00 0.00 N ATOM 1354 CA ASP A 91 12.049 2.389 4.971 1.00 0.00 C ATOM 1355 C ASP A 91 12.401 2.127 3.513 1.00 0.00 C ATOM 1356 O ASP A 91 12.427 3.045 2.691 1.00 0.00 O ATOM 1357 CB ASP A 91 13.283 2.188 5.824 1.00 0.00 C ATOM 1358 CG ASP A 91 14.347 3.252 5.585 1.00 0.00 C ATOM 1359 OD1 ASP A 91 15.181 3.102 4.673 1.00 0.00 O ATOM 1360 OD2 ASP A 91 14.387 4.250 6.348 1.00 0.00 O ATOM 0 H ASP A 91 11.274 0.885 6.203 1.00 0.00 H new ATOM 0 HA ASP A 91 11.689 3.414 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.997 2.197 6.876 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.706 1.205 5.617 1.00 0.00 H new ATOM 1365 N GLN A 92 12.603 0.862 3.184 1.00 0.00 N ATOM 1366 CA GLN A 92 12.996 0.486 1.833 1.00 0.00 C ATOM 1367 C GLN A 92 11.855 0.681 0.849 1.00 0.00 C ATOM 1368 O GLN A 92 12.072 0.984 -0.330 1.00 0.00 O ATOM 1369 CB GLN A 92 13.548 -0.942 1.789 1.00 0.00 C ATOM 1370 CG GLN A 92 15.079 -1.030 1.815 1.00 0.00 C ATOM 1371 CD GLN A 92 15.740 -0.449 3.067 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.847 0.083 2.999 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.142 -0.615 4.206 1.00 0.00 N ATOM 0 H GLN A 92 12.502 0.079 3.830 1.00 0.00 H new ATOM 0 HA GLN A 92 13.802 1.152 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.150 -1.499 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.183 -1.432 0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.369 -2.077 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.472 -0.511 0.941 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.224 -1.059 4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.590 -0.302 5.067 1.00 0.00 H new ATOM 1382 N ALA A 93 10.652 0.527 1.347 1.00 0.00 N ATOM 1383 CA ALA A 93 9.458 0.745 0.578 1.00 0.00 C ATOM 1384 C ALA A 93 9.260 2.217 0.326 1.00 0.00 C ATOM 1385 O ALA A 93 8.907 2.629 -0.775 1.00 0.00 O ATOM 1386 CB ALA A 93 8.295 0.211 1.326 1.00 0.00 C ATOM 0 H ALA A 93 10.476 0.243 2.311 1.00 0.00 H new ATOM 0 HA ALA A 93 9.551 0.234 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.385 0.373 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.431 -0.857 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.212 0.724 2.284 1.00 0.00 H new ATOM 1392 N ARG A 94 9.487 3.008 1.361 1.00 0.00 N ATOM 1393 CA ARG A 94 9.413 4.456 1.286 1.00 0.00 C ATOM 1394 C ARG A 94 10.347 4.956 0.201 1.00 0.00 C ATOM 1395 O ARG A 94 9.960 5.720 -0.669 1.00 0.00 O ATOM 1396 CB ARG A 94 9.784 5.072 2.635 1.00 0.00 C ATOM 1397 CG ARG A 94 8.688 5.028 3.673 1.00 0.00 C ATOM 1398 CD ARG A 94 7.624 6.061 3.413 1.00 0.00 C ATOM 1399 NE ARG A 94 8.163 7.414 3.600 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.457 8.526 3.835 1.00 0.00 C ATOM 1401 NH1 ARG A 94 6.129 8.484 3.935 1.00 0.00 N ATOM 1402 NH2 ARG A 94 8.099 9.689 3.950 1.00 0.00 N ATOM 0 H ARG A 94 9.731 2.658 2.288 1.00 0.00 H new ATOM 0 HA ARG A 94 8.393 4.753 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.658 4.553 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.074 6.111 2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.236 4.036 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.118 5.191 4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.244 5.952 2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.782 5.902 4.087 1.00 0.00 H new ATOM 0 HE ARG A 94 9.176 7.516 3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.638 7.596 3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.604 9.340 4.114 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.114 9.722 3.859 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.575 10.545 4.129 1.00 0.00 H new ATOM 1416 N LYS A 95 11.513 4.382 0.171 1.00 0.00 N ATOM 1417 CA LYS A 95 12.561 4.712 -0.772 1.00 0.00 C ATOM 1418 C LYS A 95 12.271 4.006 -2.121 1.00 0.00 C ATOM 1419 O LYS A 95 13.162 3.727 -2.921 1.00 0.00 O ATOM 1420 CB LYS A 95 13.919 4.283 -0.159 1.00 0.00 C ATOM 1421 CG LYS A 95 15.177 4.716 -0.920 1.00 0.00 C ATOM 1422 CD LYS A 95 15.228 6.228 -1.120 1.00 0.00 C ATOM 1423 CE LYS A 95 16.544 6.670 -1.750 1.00 0.00 C ATOM 1424 NZ LYS A 95 16.828 5.973 -3.020 1.00 0.00 N ATOM 0 H LYS A 95 11.778 3.643 0.823 1.00 0.00 H new ATOM 0 HA LYS A 95 12.600 5.783 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.978 4.682 0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.928 3.196 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.062 4.392 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.203 4.220 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.398 6.539 -1.755 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.099 6.727 -0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 95 16.514 7.745 -1.929 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.358 6.486 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.649 6.414 -3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.035 4.972 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 16.000 6.041 -3.646 1.00 0.00 H new ATOM 1438 N ARG A 96 11.007 3.759 -2.375 1.00 0.00 N ATOM 1439 CA ARG A 96 10.592 3.170 -3.596 1.00 0.00 C ATOM 1440 C ARG A 96 9.322 3.833 -4.074 1.00 0.00 C ATOM 1441 O ARG A 96 9.177 4.125 -5.241 1.00 0.00 O ATOM 1442 CB ARG A 96 10.403 1.646 -3.532 1.00 0.00 C ATOM 1443 CG ARG A 96 10.260 1.020 -4.919 1.00 0.00 C ATOM 1444 CD ARG A 96 11.599 1.030 -5.632 1.00 0.00 C ATOM 1445 NE ARG A 96 11.505 0.889 -7.091 1.00 0.00 N ATOM 1446 CZ ARG A 96 12.214 0.023 -7.829 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.977 -0.914 -7.242 1.00 0.00 N ATOM 1448 NH2 ARG A 96 12.190 0.125 -9.156 1.00 0.00 N ATOM 0 H ARG A 96 10.246 3.967 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 96 11.403 3.336 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.254 1.198 -3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.517 1.417 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.894 -0.003 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.524 1.573 -5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.114 1.962 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.214 0.220 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 96 10.849 1.497 -7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.021 -0.972 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.512 -1.568 -7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.636 0.857 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.726 -0.528 -9.727 1.00 0.00 H new ATOM 1462 N LEU A 97 8.410 4.059 -3.168 1.00 0.00 N ATOM 1463 CA LEU A 97 7.153 4.690 -3.532 1.00 0.00 C ATOM 1464 C LEU A 97 7.083 6.178 -3.216 1.00 0.00 C ATOM 1465 O LEU A 97 6.374 6.916 -3.852 1.00 0.00 O ATOM 1466 CB LEU A 97 5.991 3.909 -2.965 1.00 0.00 C ATOM 1467 CG LEU A 97 6.144 3.411 -1.548 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.035 4.533 -0.525 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.161 2.328 -1.292 1.00 0.00 C ATOM 0 H LEU A 97 8.503 3.822 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 97 7.088 4.656 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.102 4.537 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.809 3.050 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 97 7.149 3.005 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.152 4.123 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.816 5.270 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.059 5.010 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.273 1.970 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.151 2.713 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.337 1.506 -1.986 1.00 0.00 H new ATOM 1481 N THR A 98 7.775 6.614 -2.232 1.00 0.00 N ATOM 1482 CA THR A 98 7.791 8.029 -1.996 1.00 0.00 C ATOM 1483 C THR A 98 9.148 8.594 -2.377 1.00 0.00 C ATOM 1484 O THR A 98 9.505 9.718 -1.998 1.00 0.00 O ATOM 1485 CB THR A 98 7.338 8.425 -0.554 1.00 0.00 C ATOM 1486 OG1 THR A 98 7.209 9.855 -0.414 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.288 7.918 0.474 1.00 0.00 C ATOM 0 H THR A 98 8.325 6.044 -1.589 1.00 0.00 H new ATOM 0 HA THR A 98 7.040 8.487 -2.640 1.00 0.00 H new ATOM 0 HB THR A 98 6.363 7.963 -0.397 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.946 10.298 -0.884 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.942 8.212 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.341 6.831 0.415 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.277 8.340 0.295 1.00 0.00 H new ATOM 1495 N LYS A 99 9.914 7.794 -3.140 1.00 0.00 N ATOM 1496 CA LYS A 99 11.138 8.279 -3.739 1.00 0.00 C ATOM 1497 C LYS A 99 10.802 9.380 -4.796 1.00 0.00 C ATOM 1498 O LYS A 99 9.641 9.628 -5.101 1.00 0.00 O ATOM 1499 CB LYS A 99 11.885 7.149 -4.446 1.00 0.00 C ATOM 1500 CG LYS A 99 11.081 6.545 -5.565 1.00 0.00 C ATOM 1501 CD LYS A 99 11.936 5.856 -6.618 1.00 0.00 C ATOM 1502 CE LYS A 99 12.455 4.520 -6.194 1.00 0.00 C ATOM 1503 NZ LYS A 99 13.126 3.813 -7.301 1.00 0.00 N ATOM 0 H LYS A 99 9.697 6.819 -3.346 1.00 0.00 H new ATOM 0 HA LYS A 99 11.765 8.685 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.826 7.531 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.136 6.374 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.378 5.823 -5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.490 7.327 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.348 5.735 -7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.779 6.501 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.155 4.648 -5.368 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.631 3.912 -5.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.739 3.066 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.411 3.387 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.702 4.487 -7.845 1.00 0.00 H new ATOM 1517 N ARG A 100 11.820 9.978 -5.377 1.00 0.00 N ATOM 1518 CA ARG A 100 11.622 11.055 -6.364 1.00 0.00 C ATOM 1519 C ARG A 100 12.381 10.766 -7.660 1.00 0.00 C ATOM 1520 O ARG A 100 12.516 11.623 -8.537 1.00 0.00 O ATOM 1521 CB ARG A 100 12.077 12.378 -5.759 1.00 0.00 C ATOM 1522 CG ARG A 100 13.461 12.296 -5.162 1.00 0.00 C ATOM 1523 CD ARG A 100 13.880 13.585 -4.492 1.00 0.00 C ATOM 1524 NE ARG A 100 15.161 13.431 -3.791 1.00 0.00 N ATOM 1525 CZ ARG A 100 15.365 13.671 -2.479 1.00 0.00 C ATOM 1526 NH1 ARG A 100 14.358 14.071 -1.694 1.00 0.00 N ATOM 1527 NH2 ARG A 100 16.568 13.485 -1.955 1.00 0.00 N ATOM 0 H ARG A 100 12.797 9.748 -5.194 1.00 0.00 H new ATOM 0 HA ARG A 100 10.563 11.114 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.062 13.150 -6.529 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.370 12.683 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.492 11.485 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.177 12.048 -5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.964 14.375 -5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.111 13.896 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 100 15.961 13.117 -4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.425 14.197 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 100 14.523 14.250 -0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 100 17.336 13.161 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.726 13.665 -0.964 1.00 0.00 H new ATOM 1541 N SER A 101 12.846 9.556 -7.779 1.00 0.00 N ATOM 1542 CA SER A 101 13.642 9.140 -8.916 1.00 0.00 C ATOM 1543 C SER A 101 12.779 8.483 -10.005 1.00 0.00 C ATOM 1544 O SER A 101 13.032 8.613 -11.205 1.00 0.00 O ATOM 1545 CB SER A 101 14.648 8.134 -8.404 1.00 0.00 C ATOM 1546 OG SER A 101 15.405 8.676 -7.331 1.00 0.00 O ATOM 0 H SER A 101 12.687 8.820 -7.091 1.00 0.00 H new ATOM 0 HA SER A 101 14.123 10.010 -9.364 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.131 7.234 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.316 7.838 -9.213 1.00 0.00 H new ATOM 0 HG SER A 101 16.048 8.008 -7.014 1.00 0.00 H new ATOM 1552 N GLU A 102 11.761 7.822 -9.570 1.00 0.00 N ATOM 1553 CA GLU A 102 10.913 7.006 -10.424 1.00 0.00 C ATOM 1554 C GLU A 102 9.574 7.699 -10.575 1.00 0.00 C ATOM 1555 O GLU A 102 8.897 7.973 -9.602 1.00 0.00 O ATOM 1556 CB GLU A 102 10.827 5.640 -9.751 1.00 0.00 C ATOM 1557 CG GLU A 102 10.371 4.458 -10.552 1.00 0.00 C ATOM 1558 CD GLU A 102 10.875 3.167 -9.894 1.00 0.00 C ATOM 1559 OE1 GLU A 102 10.799 3.036 -8.647 1.00 0.00 O ATOM 1560 OE2 GLU A 102 11.434 2.309 -10.594 1.00 0.00 O ATOM 0 H GLU A 102 11.474 7.823 -8.591 1.00 0.00 H new ATOM 0 HA GLU A 102 11.301 6.872 -11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.815 5.406 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.156 5.736 -8.897 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.283 4.446 -10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.748 4.530 -11.572 1.00 0.00 H new ATOM 1567 N GLU A 103 9.257 8.022 -11.807 1.00 0.00 N ATOM 1568 CA GLU A 103 8.098 8.813 -12.157 1.00 0.00 C ATOM 1569 C GLU A 103 6.771 8.029 -12.198 1.00 0.00 C ATOM 1570 O GLU A 103 5.910 8.220 -11.357 1.00 0.00 O ATOM 1571 CB GLU A 103 8.346 9.644 -13.458 1.00 0.00 C ATOM 1572 CG GLU A 103 8.919 8.892 -14.676 1.00 0.00 C ATOM 1573 CD GLU A 103 10.352 8.474 -14.541 1.00 0.00 C ATOM 1574 OE1 GLU A 103 10.605 7.356 -14.049 1.00 0.00 O ATOM 1575 OE2 GLU A 103 11.246 9.232 -14.945 1.00 0.00 O ATOM 0 H GLU A 103 9.811 7.735 -12.614 1.00 0.00 H new ATOM 0 HA GLU A 103 7.965 9.514 -11.333 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.400 10.097 -13.755 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.027 10.459 -13.213 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.312 8.005 -14.856 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.822 9.528 -15.556 1.00 0.00 H new ATOM 1582 N VAL A 104 6.596 7.190 -13.182 1.00 0.00 N ATOM 1583 CA VAL A 104 5.389 6.412 -13.306 1.00 0.00 C ATOM 1584 C VAL A 104 5.663 5.062 -12.764 1.00 0.00 C ATOM 1585 O VAL A 104 6.728 4.482 -13.033 1.00 0.00 O ATOM 1586 CB VAL A 104 4.914 6.268 -14.770 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.567 5.573 -14.850 1.00 0.00 C ATOM 1588 CG2 VAL A 104 4.897 7.599 -15.466 1.00 0.00 C ATOM 0 H VAL A 104 7.282 7.025 -13.919 1.00 0.00 H new ATOM 0 HA VAL A 104 4.599 6.926 -12.759 1.00 0.00 H new ATOM 0 HB VAL A 104 5.631 5.636 -15.293 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.263 5.488 -15.893 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.645 4.578 -14.413 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.825 6.153 -14.302 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.559 7.468 -16.494 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.218 8.274 -14.944 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.901 8.023 -15.466 1.00 0.00 H new ATOM 1598 N VAL A 105 4.756 4.565 -12.005 1.00 0.00 N ATOM 1599 CA VAL A 105 4.916 3.299 -11.399 1.00 0.00 C ATOM 1600 C VAL A 105 3.713 2.409 -11.631 1.00 0.00 C ATOM 1601 O VAL A 105 2.594 2.880 -11.790 1.00 0.00 O ATOM 1602 CB VAL A 105 5.197 3.410 -9.894 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.562 4.036 -9.617 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.115 4.228 -9.257 1.00 0.00 C ATOM 0 H VAL A 105 3.875 5.031 -11.786 1.00 0.00 H new ATOM 0 HA VAL A 105 5.784 2.843 -11.876 1.00 0.00 H new ATOM 0 HB VAL A 105 5.210 2.406 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.723 4.097 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.342 3.421 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.597 5.037 -10.046 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.305 4.313 -8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.100 5.222 -9.703 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.151 3.744 -9.417 1.00 0.00 H new ATOM 1614 N ARG A 106 3.962 1.134 -11.619 1.00 0.00 N ATOM 1615 CA ARG A 106 2.956 0.126 -11.825 1.00 0.00 C ATOM 1616 C ARG A 106 3.055 -0.809 -10.682 1.00 0.00 C ATOM 1617 O ARG A 106 4.085 -1.463 -10.479 1.00 0.00 O ATOM 1618 CB ARG A 106 3.158 -0.582 -13.153 1.00 0.00 C ATOM 1619 CG ARG A 106 2.892 0.322 -14.335 1.00 0.00 C ATOM 1620 CD ARG A 106 3.244 -0.335 -15.637 1.00 0.00 C ATOM 1621 NE ARG A 106 2.848 0.498 -16.768 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.303 0.378 -18.007 1.00 0.00 C ATOM 1623 NH1 ARG A 106 4.213 -0.538 -18.302 1.00 0.00 N ATOM 1624 NH2 ARG A 106 2.845 1.190 -18.947 1.00 0.00 N ATOM 0 H ARG A 106 4.895 0.752 -11.462 1.00 0.00 H new ATOM 0 HA ARG A 106 1.960 0.566 -11.870 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.180 -0.958 -13.209 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.497 -1.447 -13.205 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.839 0.605 -14.345 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.468 1.241 -14.225 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.317 -0.521 -15.676 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.750 -1.304 -15.704 1.00 0.00 H new ATOM 0 HE ARG A 106 2.164 1.234 -16.590 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.568 -1.157 -17.573 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.558 -0.624 -19.258 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.149 1.899 -18.714 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.188 1.107 -19.904 1.00 0.00 H new ATOM 1638 N LEU A 107 2.054 -0.794 -9.887 1.00 0.00 N ATOM 1639 CA LEU A 107 2.055 -1.496 -8.654 1.00 0.00 C ATOM 1640 C LEU A 107 1.010 -2.569 -8.711 1.00 0.00 C ATOM 1641 O LEU A 107 0.128 -2.523 -9.546 1.00 0.00 O ATOM 1642 CB LEU A 107 1.700 -0.545 -7.484 1.00 0.00 C ATOM 1643 CG LEU A 107 2.272 0.897 -7.489 1.00 0.00 C ATOM 1644 CD1 LEU A 107 3.724 0.961 -7.841 1.00 0.00 C ATOM 1645 CD2 LEU A 107 1.448 1.836 -8.337 1.00 0.00 C ATOM 0 H LEU A 107 1.191 -0.284 -10.075 1.00 0.00 H new ATOM 0 HA LEU A 107 3.047 -1.917 -8.492 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.614 -0.468 -7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.023 -1.024 -6.560 1.00 0.00 H new ATOM 0 HG LEU A 107 2.199 1.241 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.057 1.999 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.300 0.384 -7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.875 0.547 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.888 2.833 -8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.430 1.476 -9.366 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.430 1.878 -7.949 1.00 0.00 H new ATOM 1657 N LEU A 108 1.108 -3.501 -7.838 1.00 0.00 N ATOM 1658 CA LEU A 108 0.146 -4.551 -7.702 1.00 0.00 C ATOM 1659 C LEU A 108 -0.240 -4.678 -6.272 1.00 0.00 C ATOM 1660 O LEU A 108 0.626 -4.799 -5.388 1.00 0.00 O ATOM 1661 CB LEU A 108 0.676 -5.877 -8.211 1.00 0.00 C ATOM 1662 CG LEU A 108 0.184 -6.337 -9.570 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.778 -5.503 -10.680 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.500 -7.793 -9.781 1.00 0.00 C ATOM 0 H LEU A 108 1.880 -3.564 -7.174 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.723 -4.293 -8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.764 -5.816 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.424 -6.646 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.898 -6.206 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.406 -5.858 -11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.493 -4.460 -10.543 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.864 -5.588 -10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.140 -8.105 -10.761 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.578 -7.943 -9.726 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.011 -8.387 -9.009 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.509 -4.645 -6.028 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.013 -4.722 -4.682 1.00 0.00 C ATOM 1678 C VAL A 109 -2.883 -5.928 -4.520 1.00 0.00 C ATOM 1679 O VAL A 109 -3.497 -6.390 -5.486 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.783 -3.450 -4.221 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.922 -2.217 -4.340 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -4.088 -3.262 -4.964 1.00 0.00 C ATOM 0 H VAL A 109 -2.228 -4.564 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.135 -4.800 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.029 -3.601 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.487 -1.345 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -1.035 -2.331 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.620 -2.083 -5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.585 -2.361 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.888 -3.165 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.732 -4.125 -4.792 1.00 0.00 H new ATOM 1692 N THR A 110 -2.912 -6.452 -3.338 1.00 0.00 N ATOM 1693 CA THR A 110 -3.733 -7.573 -3.046 1.00 0.00 C ATOM 1694 C THR A 110 -4.719 -7.193 -1.983 1.00 0.00 C ATOM 1695 O THR A 110 -4.426 -6.352 -1.111 1.00 0.00 O ATOM 1696 CB THR A 110 -2.929 -8.806 -2.573 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.164 -8.474 -1.400 1.00 0.00 O ATOM 1698 CG2 THR A 110 -1.987 -9.296 -3.649 1.00 0.00 C ATOM 0 H THR A 110 -2.364 -6.111 -2.548 1.00 0.00 H new ATOM 0 HA THR A 110 -4.236 -7.854 -3.971 1.00 0.00 H new ATOM 0 HB THR A 110 -3.643 -9.598 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.659 -9.260 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.437 -10.163 -3.284 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.559 -9.575 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.285 -8.503 -3.906 1.00 0.00 H new