USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 814 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 43 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-6.8!) USER MOD Set 1.2: A 115 TYR OH : rot -103:sc=-0.00246 USER MOD Set 2.1: A 33 SER OG : rot 148:sc= 0.293 USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.56! C(o=-1.6!,f=-2.7!) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -1.14 (180deg=-1.82) USER MOD Single : A 21 THR OG1 : rot 86:sc= 0.931 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 44 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-5.1!) USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.101) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= -2.12! (180deg=-4.93!) USER MOD Single : A 63 MET CE :methyl -175:sc= 0 (180deg=-0.00368) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot -49:sc= 0.538 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.96 USER MOD Single : A 88 MET CE :methyl 150:sc= -3.54 (180deg=-6.04!) USER MOD Single : A 89 GLN : amide:sc= -1.28 K(o=-1.3,f=-5.9!) USER MOD Single : A 90 SER OG : rot -170:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -124:sc= -0.548 (180deg=-2.27!) USER MOD Single : A 100 GLN : amide:sc= -4.22! C(o=-4.2!,f=-11!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -7.08! K(o=-7.1!,f=-1.7) USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= -1.25 (180deg=-1.39) USER MOD Single : A 120 THR OG1 : rot -120:sc= -0.521 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N GLU A 11 -11.020 11.083 1.403 1.00 0.00 N ATOM 157 CA GLU A 11 -10.060 12.088 1.937 1.00 0.00 C ATOM 158 C GLU A 11 -8.987 11.358 2.744 1.00 0.00 C ATOM 159 O GLU A 11 -7.916 11.877 2.992 1.00 0.00 O ATOM 160 CB GLU A 11 -10.801 13.077 2.842 1.00 0.00 C ATOM 161 CG GLU A 11 -11.935 13.739 2.056 1.00 0.00 C ATOM 162 CD GLU A 11 -11.480 15.113 1.562 1.00 0.00 C ATOM 163 OE1 GLU A 11 -10.323 15.236 1.198 1.00 0.00 O ATOM 164 OE2 GLU A 11 -12.297 16.019 1.558 1.00 0.00 O ATOM 0 HA GLU A 11 -9.599 12.636 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.202 12.559 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.111 13.835 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.219 13.113 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.817 13.842 2.687 1.00 0.00 H new ATOM 171 N GLU A 12 -9.272 10.151 3.151 1.00 0.00 N ATOM 172 CA GLU A 12 -8.278 9.371 3.939 1.00 0.00 C ATOM 173 C GLU A 12 -7.138 8.929 3.019 1.00 0.00 C ATOM 174 O GLU A 12 -5.984 9.223 3.260 1.00 0.00 O ATOM 175 CB GLU A 12 -8.959 8.138 4.536 1.00 0.00 C ATOM 176 CG GLU A 12 -10.035 8.580 5.529 1.00 0.00 C ATOM 177 CD GLU A 12 -9.406 8.768 6.911 1.00 0.00 C ATOM 178 OE1 GLU A 12 -8.756 9.781 7.112 1.00 0.00 O ATOM 179 OE2 GLU A 12 -9.583 7.895 7.744 1.00 0.00 O ATOM 0 H GLU A 12 -10.154 9.671 2.971 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.879 9.991 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.405 7.537 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.223 7.510 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.492 9.512 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.829 7.835 5.577 1.00 0.00 H new ATOM 186 N LEU A 13 -7.453 8.227 1.966 1.00 0.00 N ATOM 187 CA LEU A 13 -6.390 7.768 1.031 1.00 0.00 C ATOM 188 C LEU A 13 -5.497 8.953 0.661 1.00 0.00 C ATOM 189 O LEU A 13 -4.286 8.870 0.708 1.00 0.00 O ATOM 190 CB LEU A 13 -7.033 7.201 -0.237 1.00 0.00 C ATOM 191 CG LEU A 13 -7.950 6.034 0.132 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.157 6.014 -0.808 1.00 0.00 C ATOM 193 CD2 LEU A 13 -7.180 4.719 -0.005 1.00 0.00 C ATOM 0 H LEU A 13 -8.402 7.951 1.713 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.792 6.994 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.603 7.978 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.261 6.866 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.292 6.153 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.810 5.182 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.707 6.951 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.815 5.895 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.832 3.886 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.839 4.602 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.319 4.730 0.663 1.00 0.00 H new ATOM 205 N ILE A 14 -6.088 10.057 0.292 1.00 0.00 N ATOM 206 CA ILE A 14 -5.276 11.248 -0.081 1.00 0.00 C ATOM 207 C ILE A 14 -4.272 11.547 1.034 1.00 0.00 C ATOM 208 O ILE A 14 -3.075 11.436 0.850 1.00 0.00 O ATOM 209 CB ILE A 14 -6.198 12.452 -0.273 1.00 0.00 C ATOM 210 CG1 ILE A 14 -6.911 12.337 -1.624 1.00 0.00 C ATOM 211 CG2 ILE A 14 -5.373 13.740 -0.241 1.00 0.00 C ATOM 212 CD1 ILE A 14 -8.231 13.111 -1.575 1.00 0.00 C ATOM 0 H ILE A 14 -7.098 10.185 0.233 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.741 11.049 -1.009 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.936 12.475 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.276 12.732 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.100 11.290 -1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.032 14.598 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.865 13.823 0.720 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.634 13.719 -1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.737 13.028 -2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.867 12.696 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.030 14.160 -1.360 1.00 0.00 H new ATOM 224 N GLU A 15 -4.749 11.923 2.188 1.00 0.00 N ATOM 225 CA GLU A 15 -3.821 12.226 3.313 1.00 0.00 C ATOM 226 C GLU A 15 -2.710 11.175 3.349 1.00 0.00 C ATOM 227 O GLU A 15 -1.540 11.491 3.261 1.00 0.00 O ATOM 228 CB GLU A 15 -4.593 12.198 4.634 1.00 0.00 C ATOM 229 CG GLU A 15 -5.519 13.414 4.711 1.00 0.00 C ATOM 230 CD GLU A 15 -4.811 14.549 5.452 1.00 0.00 C ATOM 231 OE1 GLU A 15 -4.073 14.257 6.378 1.00 0.00 O ATOM 232 OE2 GLU A 15 -5.020 15.693 5.081 1.00 0.00 O ATOM 0 H GLU A 15 -5.740 12.033 2.401 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.385 13.215 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.175 11.279 4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.898 12.203 5.474 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.796 13.738 3.708 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.442 13.149 5.226 1.00 0.00 H new ATOM 239 N ILE A 16 -3.068 9.926 3.476 1.00 0.00 N ATOM 240 CA ILE A 16 -2.032 8.857 3.515 1.00 0.00 C ATOM 241 C ILE A 16 -1.061 9.047 2.348 1.00 0.00 C ATOM 242 O ILE A 16 0.096 9.366 2.536 1.00 0.00 O ATOM 243 CB ILE A 16 -2.707 7.489 3.399 1.00 0.00 C ATOM 244 CG1 ILE A 16 -3.741 7.335 4.517 1.00 0.00 C ATOM 245 CG2 ILE A 16 -1.653 6.387 3.526 1.00 0.00 C ATOM 246 CD1 ILE A 16 -4.466 5.997 4.361 1.00 0.00 C ATOM 0 H ILE A 16 -4.032 9.601 3.554 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.485 8.914 4.456 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.202 7.409 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.251 7.384 5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.458 8.156 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.134 5.412 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.915 6.496 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.158 6.467 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.202 5.887 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.969 5.966 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.744 5.183 4.420 1.00 0.00 H new ATOM 258 N GLN A 17 -1.523 8.858 1.141 1.00 0.00 N ATOM 259 CA GLN A 17 -0.625 9.031 -0.035 1.00 0.00 C ATOM 260 C GLN A 17 0.280 10.243 0.196 1.00 0.00 C ATOM 261 O GLN A 17 1.488 10.150 0.123 1.00 0.00 O ATOM 262 CB GLN A 17 -1.467 9.255 -1.293 1.00 0.00 C ATOM 263 CG GLN A 17 -1.496 7.969 -2.123 1.00 0.00 C ATOM 264 CD GLN A 17 -2.314 6.904 -1.392 1.00 0.00 C ATOM 265 OE1 GLN A 17 -3.231 7.222 -0.660 1.00 0.00 O ATOM 266 NE2 GLN A 17 -2.020 5.644 -1.559 1.00 0.00 N ATOM 0 H GLN A 17 -2.482 8.592 0.920 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.015 8.137 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.481 9.546 -1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.050 10.072 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.931 8.167 -3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.481 7.610 -2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.251 5.377 -2.173 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.560 4.926 -1.075 1.00 0.00 H new ATOM 275 N LYS A 18 -0.295 11.381 0.474 1.00 0.00 N ATOM 276 CA LYS A 18 0.534 12.596 0.711 1.00 0.00 C ATOM 277 C LYS A 18 1.790 12.208 1.495 1.00 0.00 C ATOM 278 O LYS A 18 2.901 12.414 1.049 1.00 0.00 O ATOM 279 CB LYS A 18 -0.275 13.617 1.516 1.00 0.00 C ATOM 280 CG LYS A 18 -0.291 14.960 0.780 1.00 0.00 C ATOM 281 CD LYS A 18 -1.369 14.936 -0.305 1.00 0.00 C ATOM 282 CE LYS A 18 -2.572 15.765 0.150 1.00 0.00 C ATOM 283 NZ LYS A 18 -3.000 15.317 1.505 1.00 0.00 N ATOM 0 H LYS A 18 -1.303 11.522 0.547 1.00 0.00 H new ATOM 0 HA LYS A 18 0.821 13.034 -0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.294 13.257 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.161 13.740 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.486 15.770 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.684 15.154 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.970 15.336 -1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.676 13.909 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.311 16.823 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.393 15.653 -0.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.957 15.674 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.004 14.278 1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.339 15.686 2.218 1.00 0.00 H new ATOM 297 N GLU A 19 1.622 11.647 2.662 1.00 0.00 N ATOM 298 CA GLU A 19 2.803 11.246 3.475 1.00 0.00 C ATOM 299 C GLU A 19 3.680 10.290 2.665 1.00 0.00 C ATOM 300 O GLU A 19 4.798 10.610 2.308 1.00 0.00 O ATOM 301 CB GLU A 19 2.328 10.544 4.751 1.00 0.00 C ATOM 302 CG GLU A 19 2.605 11.438 5.961 1.00 0.00 C ATOM 303 CD GLU A 19 1.704 11.018 7.124 1.00 0.00 C ATOM 304 OE1 GLU A 19 1.620 9.829 7.384 1.00 0.00 O ATOM 305 OE2 GLU A 19 1.113 11.893 7.736 1.00 0.00 O ATOM 0 H GLU A 19 0.716 11.449 3.087 1.00 0.00 H new ATOM 0 HA GLU A 19 3.380 12.132 3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.262 10.326 4.683 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.842 9.590 4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.652 11.360 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.423 12.482 5.705 1.00 0.00 H new ATOM 312 N GLU A 20 3.185 9.120 2.371 1.00 0.00 N ATOM 313 CA GLU A 20 3.992 8.145 1.584 1.00 0.00 C ATOM 314 C GLU A 20 4.824 8.892 0.538 1.00 0.00 C ATOM 315 O GLU A 20 5.984 8.600 0.331 1.00 0.00 O ATOM 316 CB GLU A 20 3.056 7.159 0.881 1.00 0.00 C ATOM 317 CG GLU A 20 3.008 5.848 1.668 1.00 0.00 C ATOM 318 CD GLU A 20 4.305 5.068 1.441 1.00 0.00 C ATOM 319 OE1 GLU A 20 4.379 4.352 0.456 1.00 0.00 O ATOM 320 OE2 GLU A 20 5.203 5.200 2.257 1.00 0.00 O ATOM 0 H GLU A 20 2.256 8.796 2.642 1.00 0.00 H new ATOM 0 HA GLU A 20 4.657 7.602 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.056 7.585 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.404 6.973 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.876 6.054 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.152 5.252 1.350 1.00 0.00 H new ATOM 327 N THR A 21 4.239 9.853 -0.124 1.00 0.00 N ATOM 328 CA THR A 21 4.996 10.615 -1.157 1.00 0.00 C ATOM 329 C THR A 21 6.218 11.275 -0.514 1.00 0.00 C ATOM 330 O THR A 21 7.345 10.998 -0.872 1.00 0.00 O ATOM 331 CB THR A 21 4.092 11.693 -1.761 1.00 0.00 C ATOM 332 OG1 THR A 21 2.772 11.183 -1.887 1.00 0.00 O ATOM 333 CG2 THR A 21 4.620 12.094 -3.139 1.00 0.00 C ATOM 0 H THR A 21 3.270 10.143 0.006 1.00 0.00 H new ATOM 0 HA THR A 21 5.324 9.933 -1.942 1.00 0.00 H new ATOM 0 HB THR A 21 4.085 12.568 -1.111 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.288 11.316 -1.045 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.975 12.861 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.633 12.485 -3.041 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.629 11.222 -3.793 1.00 0.00 H new ATOM 341 N ARG A 22 6.003 12.147 0.433 1.00 0.00 N ATOM 342 CA ARG A 22 7.153 12.823 1.096 1.00 0.00 C ATOM 343 C ARG A 22 8.252 11.797 1.382 1.00 0.00 C ATOM 344 O ARG A 22 9.419 12.040 1.142 1.00 0.00 O ATOM 345 CB ARG A 22 6.687 13.453 2.410 1.00 0.00 C ATOM 346 CG ARG A 22 7.703 14.503 2.861 1.00 0.00 C ATOM 347 CD ARG A 22 7.078 15.392 3.937 1.00 0.00 C ATOM 348 NE ARG A 22 6.073 14.605 4.708 1.00 0.00 N ATOM 349 CZ ARG A 22 5.635 15.052 5.854 1.00 0.00 C ATOM 350 NH1 ARG A 22 6.086 16.180 6.330 1.00 0.00 N ATOM 351 NH2 ARG A 22 4.749 14.369 6.526 1.00 0.00 N ATOM 0 H ARG A 22 5.082 12.420 0.776 1.00 0.00 H new ATOM 0 HA ARG A 22 7.544 13.601 0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.707 13.913 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.578 12.685 3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.596 14.015 3.251 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.017 15.109 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.851 15.770 4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.603 16.259 3.477 1.00 0.00 H new ATOM 0 HE ARG A 22 5.728 13.718 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.781 16.713 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.744 16.529 7.225 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.398 13.485 6.156 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.407 14.719 7.421 1.00 0.00 H new ATOM 365 N ASP A 23 7.889 10.652 1.892 1.00 0.00 N ATOM 366 CA ASP A 23 8.915 9.611 2.189 1.00 0.00 C ATOM 367 C ASP A 23 9.728 9.328 0.924 1.00 0.00 C ATOM 368 O ASP A 23 10.941 9.294 0.948 1.00 0.00 O ATOM 369 CB ASP A 23 8.219 8.326 2.649 1.00 0.00 C ATOM 370 CG ASP A 23 8.592 8.034 4.104 1.00 0.00 C ATOM 371 OD1 ASP A 23 8.862 8.978 4.828 1.00 0.00 O ATOM 372 OD2 ASP A 23 8.600 6.870 4.470 1.00 0.00 O ATOM 0 H ASP A 23 6.928 10.392 2.116 1.00 0.00 H new ATOM 0 HA ASP A 23 9.579 9.965 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.138 8.432 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.515 7.492 2.013 1.00 0.00 H new ATOM 377 N ILE A 24 9.065 9.124 -0.180 1.00 0.00 N ATOM 378 CA ILE A 24 9.793 8.841 -1.448 1.00 0.00 C ATOM 379 C ILE A 24 10.503 10.112 -1.923 1.00 0.00 C ATOM 380 O ILE A 24 11.715 10.189 -1.936 1.00 0.00 O ATOM 381 CB ILE A 24 8.795 8.383 -2.514 1.00 0.00 C ATOM 382 CG1 ILE A 24 8.355 6.948 -2.214 1.00 0.00 C ATOM 383 CG2 ILE A 24 9.457 8.434 -3.893 1.00 0.00 C ATOM 384 CD1 ILE A 24 6.927 6.734 -2.720 1.00 0.00 C ATOM 0 H ILE A 24 8.048 9.141 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 24 10.530 8.056 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 24 7.927 9.042 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.032 6.241 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.404 6.758 -1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.745 8.107 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.773 9.455 -4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.326 7.776 -3.904 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.614 5.712 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.255 7.431 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.893 6.906 -3.796 1.00 0.00 H new ATOM 396 N ILE A 25 9.757 11.109 -2.312 1.00 0.00 N ATOM 397 CA ILE A 25 10.388 12.374 -2.784 1.00 0.00 C ATOM 398 C ILE A 25 11.639 12.662 -1.953 1.00 0.00 C ATOM 399 O ILE A 25 12.579 13.274 -2.420 1.00 0.00 O ATOM 400 CB ILE A 25 9.394 13.526 -2.630 1.00 0.00 C ATOM 401 CG1 ILE A 25 8.064 13.138 -3.283 1.00 0.00 C ATOM 402 CG2 ILE A 25 9.953 14.778 -3.309 1.00 0.00 C ATOM 403 CD1 ILE A 25 8.328 12.535 -4.663 1.00 0.00 C ATOM 0 H ILE A 25 8.737 11.102 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 25 10.667 12.273 -3.833 1.00 0.00 H new ATOM 0 HB ILE A 25 9.234 13.731 -1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.535 12.420 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.423 14.015 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.244 15.599 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.900 15.052 -2.844 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.113 14.577 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.381 12.259 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.839 13.267 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.953 11.648 -4.559 1.00 0.00 H new ATOM 415 N GLN A 26 11.660 12.227 -0.722 1.00 0.00 N ATOM 416 CA GLN A 26 12.851 12.477 0.136 1.00 0.00 C ATOM 417 C GLN A 26 13.975 11.519 -0.259 1.00 0.00 C ATOM 418 O GLN A 26 15.088 11.928 -0.526 1.00 0.00 O ATOM 419 CB GLN A 26 12.478 12.248 1.603 1.00 0.00 C ATOM 420 CG GLN A 26 11.609 13.407 2.096 1.00 0.00 C ATOM 421 CD GLN A 26 12.472 14.392 2.886 1.00 0.00 C ATOM 422 OE1 GLN A 26 12.881 14.106 3.994 1.00 0.00 O ATOM 423 NE2 GLN A 26 12.770 15.548 2.360 1.00 0.00 N ATOM 0 H GLN A 26 10.903 11.710 -0.275 1.00 0.00 H new ATOM 0 HA GLN A 26 13.187 13.505 0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.941 11.306 1.710 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.380 12.171 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.144 13.912 1.250 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.802 13.029 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.427 15.789 1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.346 16.211 2.879 1.00 0.00 H new ATOM 432 N ALA A 27 13.694 10.245 -0.297 1.00 0.00 N ATOM 433 CA ALA A 27 14.747 9.259 -0.673 1.00 0.00 C ATOM 434 C ALA A 27 15.403 9.682 -1.991 1.00 0.00 C ATOM 435 O ALA A 27 16.612 9.728 -2.105 1.00 0.00 O ATOM 436 CB ALA A 27 14.112 7.878 -0.841 1.00 0.00 C ATOM 0 H ALA A 27 12.781 9.844 -0.084 1.00 0.00 H new ATOM 0 HA ALA A 27 15.504 9.221 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.880 7.155 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.648 7.575 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.355 7.918 -1.624 1.00 0.00 H new ATOM 442 N LEU A 28 14.617 9.985 -2.987 1.00 0.00 N ATOM 443 CA LEU A 28 15.201 10.398 -4.295 1.00 0.00 C ATOM 444 C LEU A 28 16.048 11.658 -4.107 1.00 0.00 C ATOM 445 O LEU A 28 17.243 11.652 -4.323 1.00 0.00 O ATOM 446 CB LEU A 28 14.076 10.688 -5.292 1.00 0.00 C ATOM 447 CG LEU A 28 13.063 9.542 -5.276 1.00 0.00 C ATOM 448 CD1 LEU A 28 12.100 9.698 -6.454 1.00 0.00 C ATOM 449 CD2 LEU A 28 13.802 8.207 -5.398 1.00 0.00 C ATOM 0 H LEU A 28 13.598 9.965 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 28 15.828 9.592 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.583 11.626 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.487 10.808 -6.294 1.00 0.00 H new ATOM 0 HG LEU A 28 12.503 9.565 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.378 8.882 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.574 10.649 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.661 9.674 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.081 7.390 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.361 8.185 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.491 8.095 -4.561 1.00 0.00 H new ATOM 461 N LEU A 29 15.440 12.741 -3.709 1.00 0.00 N ATOM 462 CA LEU A 29 16.214 13.998 -3.514 1.00 0.00 C ATOM 463 C LEU A 29 17.506 13.689 -2.753 1.00 0.00 C ATOM 464 O LEU A 29 18.591 14.003 -3.201 1.00 0.00 O ATOM 465 CB LEU A 29 15.375 14.994 -2.711 1.00 0.00 C ATOM 466 CG LEU A 29 14.907 16.124 -3.630 1.00 0.00 C ATOM 467 CD1 LEU A 29 13.703 16.828 -3.004 1.00 0.00 C ATOM 468 CD2 LEU A 29 16.045 17.130 -3.819 1.00 0.00 C ATOM 0 H LEU A 29 14.442 12.810 -3.511 1.00 0.00 H new ATOM 0 HA LEU A 29 16.458 14.429 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.515 14.489 -2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.963 15.400 -1.888 1.00 0.00 H new ATOM 0 HG LEU A 29 14.621 15.710 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.371 17.633 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.892 16.112 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.986 17.242 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.713 17.936 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.330 17.543 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.903 16.629 -4.267 1.00 0.00 H new ATOM 480 N GLU A 30 17.399 13.077 -1.606 1.00 0.00 N ATOM 481 CA GLU A 30 18.623 12.752 -0.821 1.00 0.00 C ATOM 482 C GLU A 30 19.609 11.982 -1.703 1.00 0.00 C ATOM 483 O GLU A 30 20.809 12.088 -1.545 1.00 0.00 O ATOM 484 CB GLU A 30 18.244 11.894 0.388 1.00 0.00 C ATOM 485 CG GLU A 30 19.511 11.324 1.026 1.00 0.00 C ATOM 486 CD GLU A 30 19.198 10.843 2.444 1.00 0.00 C ATOM 487 OE1 GLU A 30 18.665 9.753 2.574 1.00 0.00 O ATOM 488 OE2 GLU A 30 19.497 11.571 3.375 1.00 0.00 O ATOM 0 H GLU A 30 16.519 12.788 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 30 19.088 13.677 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.696 12.493 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.583 11.084 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.892 10.497 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.291 12.085 1.053 1.00 0.00 H new ATOM 495 N ASP A 31 19.115 11.210 -2.631 1.00 0.00 N ATOM 496 CA ASP A 31 20.028 10.436 -3.520 1.00 0.00 C ATOM 497 C ASP A 31 20.806 11.403 -4.417 1.00 0.00 C ATOM 498 O ASP A 31 21.876 11.089 -4.900 1.00 0.00 O ATOM 499 CB ASP A 31 19.208 9.478 -4.389 1.00 0.00 C ATOM 500 CG ASP A 31 19.553 8.032 -4.025 1.00 0.00 C ATOM 501 OD1 ASP A 31 20.688 7.642 -4.242 1.00 0.00 O ATOM 502 OD2 ASP A 31 18.676 7.341 -3.537 1.00 0.00 O ATOM 0 H ASP A 31 18.120 11.081 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 31 20.727 9.862 -2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.143 9.657 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.417 9.658 -5.443 1.00 0.00 H new ATOM 507 N GLY A 32 20.278 12.575 -4.643 1.00 0.00 N ATOM 508 CA GLY A 32 20.990 13.558 -5.509 1.00 0.00 C ATOM 509 C GLY A 32 20.532 13.389 -6.958 1.00 0.00 C ATOM 510 O GLY A 32 21.290 13.590 -7.886 1.00 0.00 O ATOM 0 H GLY A 32 19.386 12.894 -4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 32 20.786 14.573 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.067 13.408 -5.437 1.00 0.00 H new ATOM 514 N SER A 33 19.298 13.018 -7.160 1.00 0.00 N ATOM 515 CA SER A 33 18.794 12.833 -8.551 1.00 0.00 C ATOM 516 C SER A 33 18.566 14.199 -9.202 1.00 0.00 C ATOM 517 O SER A 33 17.879 15.048 -8.668 1.00 0.00 O ATOM 518 CB SER A 33 17.477 12.057 -8.516 1.00 0.00 C ATOM 519 OG SER A 33 16.547 12.667 -9.400 1.00 0.00 O ATOM 0 H SER A 33 18.617 12.835 -6.423 1.00 0.00 H new ATOM 0 HA SER A 33 19.530 12.276 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.645 11.020 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.077 12.043 -7.502 1.00 0.00 H new ATOM 0 HG SER A 33 15.953 11.983 -9.773 1.00 0.00 H new ATOM 525 N ASP A 34 19.138 14.417 -10.355 1.00 0.00 N ATOM 526 CA ASP A 34 18.960 15.725 -11.048 1.00 0.00 C ATOM 527 C ASP A 34 17.504 16.190 -10.908 1.00 0.00 C ATOM 528 O ASP A 34 16.626 15.700 -11.590 1.00 0.00 O ATOM 529 CB ASP A 34 19.298 15.559 -12.532 1.00 0.00 C ATOM 530 CG ASP A 34 20.327 16.613 -12.947 1.00 0.00 C ATOM 531 OD1 ASP A 34 21.263 16.826 -12.195 1.00 0.00 O ATOM 532 OD2 ASP A 34 20.159 17.190 -14.009 1.00 0.00 O ATOM 0 H ASP A 34 19.723 13.743 -10.849 1.00 0.00 H new ATOM 0 HA ASP A 34 19.621 16.467 -10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.692 14.560 -12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 34 18.395 15.661 -13.134 1.00 0.00 H new ATOM 537 N PRO A 35 17.250 17.131 -10.033 1.00 0.00 N ATOM 538 CA PRO A 35 15.875 17.669 -9.806 1.00 0.00 C ATOM 539 C PRO A 35 15.237 18.207 -11.091 1.00 0.00 C ATOM 540 O PRO A 35 14.065 18.525 -11.125 1.00 0.00 O ATOM 541 CB PRO A 35 16.075 18.811 -8.805 1.00 0.00 C ATOM 542 CG PRO A 35 17.395 18.560 -8.156 1.00 0.00 C ATOM 543 CD PRO A 35 18.240 17.782 -9.162 1.00 0.00 C ATOM 0 HA PRO A 35 15.203 16.889 -9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 35 16.065 19.778 -9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 35 15.274 18.828 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 35 17.879 19.499 -7.889 1.00 0.00 H new ATOM 0 HG3 PRO A 35 17.271 17.992 -7.234 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.896 18.444 -9.728 1.00 0.00 H new ATOM 0 HD3 PRO A 35 18.877 17.050 -8.666 1.00 0.00 H new ATOM 551 N ASP A 36 15.997 18.322 -12.147 1.00 0.00 N ATOM 552 CA ASP A 36 15.425 18.852 -13.417 1.00 0.00 C ATOM 553 C ASP A 36 15.545 17.800 -14.524 1.00 0.00 C ATOM 554 O ASP A 36 15.397 18.102 -15.692 1.00 0.00 O ATOM 555 CB ASP A 36 16.184 20.115 -13.826 1.00 0.00 C ATOM 556 CG ASP A 36 15.340 20.921 -14.815 1.00 0.00 C ATOM 557 OD1 ASP A 36 14.460 20.339 -15.425 1.00 0.00 O ATOM 558 OD2 ASP A 36 15.589 22.109 -14.944 1.00 0.00 O ATOM 0 H ASP A 36 16.985 18.073 -12.185 1.00 0.00 H new ATOM 0 HA ASP A 36 14.372 19.090 -13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 36 16.407 20.719 -12.946 1.00 0.00 H new ATOM 0 HB3 ASP A 36 17.138 19.848 -14.280 1.00 0.00 H new ATOM 563 N ALA A 37 15.805 16.571 -14.173 1.00 0.00 N ATOM 564 CA ALA A 37 15.924 15.513 -15.216 1.00 0.00 C ATOM 565 C ALA A 37 14.532 14.970 -15.543 1.00 0.00 C ATOM 566 O ALA A 37 14.382 14.042 -16.313 1.00 0.00 O ATOM 567 CB ALA A 37 16.808 14.376 -14.701 1.00 0.00 C ATOM 0 H ALA A 37 15.940 16.254 -13.213 1.00 0.00 H new ATOM 0 HA ALA A 37 16.374 15.937 -16.114 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.892 13.605 -15.467 1.00 0.00 H new ATOM 0 HB2 ALA A 37 17.799 14.764 -14.466 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.364 13.948 -13.802 1.00 0.00 H new ATOM 573 N LEU A 38 13.513 15.543 -14.963 1.00 0.00 N ATOM 574 CA LEU A 38 12.129 15.063 -15.239 1.00 0.00 C ATOM 575 C LEU A 38 11.977 13.626 -14.734 1.00 0.00 C ATOM 576 O LEU A 38 12.887 12.827 -14.822 1.00 0.00 O ATOM 577 CB LEU A 38 11.866 15.105 -16.746 1.00 0.00 C ATOM 578 CG LEU A 38 10.884 16.234 -17.060 1.00 0.00 C ATOM 579 CD1 LEU A 38 10.978 16.596 -18.544 1.00 0.00 C ATOM 580 CD2 LEU A 38 9.460 15.774 -16.739 1.00 0.00 C ATOM 0 H LEU A 38 13.579 16.323 -14.309 1.00 0.00 H new ATOM 0 HA LEU A 38 11.413 15.705 -14.727 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.801 15.261 -17.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.460 14.151 -17.082 1.00 0.00 H new ATOM 0 HG LEU A 38 11.131 17.107 -16.456 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.278 17.401 -18.767 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.992 16.923 -18.775 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.731 15.723 -19.148 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.759 16.578 -16.962 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.215 14.901 -17.343 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.391 15.515 -15.682 1.00 0.00 H new ATOM 592 N TYR A 39 10.831 13.292 -14.206 1.00 0.00 N ATOM 593 CA TYR A 39 10.621 11.909 -13.696 1.00 0.00 C ATOM 594 C TYR A 39 9.348 11.327 -14.313 1.00 0.00 C ATOM 595 O TYR A 39 8.495 12.048 -14.793 1.00 0.00 O ATOM 596 CB TYR A 39 10.483 11.942 -12.172 1.00 0.00 C ATOM 597 CG TYR A 39 11.717 11.340 -11.539 1.00 0.00 C ATOM 598 CD1 TYR A 39 12.985 11.834 -11.868 1.00 0.00 C ATOM 599 CD2 TYR A 39 11.590 10.291 -10.622 1.00 0.00 C ATOM 600 CE1 TYR A 39 14.127 11.276 -11.281 1.00 0.00 C ATOM 601 CE2 TYR A 39 12.733 9.733 -10.034 1.00 0.00 C ATOM 602 CZ TYR A 39 14.000 10.226 -10.364 1.00 0.00 C ATOM 603 OH TYR A 39 15.126 9.676 -9.786 1.00 0.00 O ATOM 0 H TYR A 39 10.032 13.918 -14.106 1.00 0.00 H new ATOM 0 HA TYR A 39 11.474 11.287 -13.969 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.351 12.969 -11.831 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.597 11.387 -11.865 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.082 12.645 -12.574 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.611 9.911 -10.367 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.106 11.656 -11.536 1.00 0.00 H new ATOM 0 HE2 TYR A 39 12.636 8.923 -9.326 1.00 0.00 H new ATOM 0 HH TYR A 39 14.862 8.959 -9.173 1.00 0.00 H new ATOM 613 N GLU A 40 9.211 10.031 -14.306 1.00 0.00 N ATOM 614 CA GLU A 40 7.993 9.407 -14.893 1.00 0.00 C ATOM 615 C GLU A 40 7.129 8.822 -13.776 1.00 0.00 C ATOM 616 O GLU A 40 7.592 8.049 -12.960 1.00 0.00 O ATOM 617 CB GLU A 40 8.405 8.290 -15.855 1.00 0.00 C ATOM 618 CG GLU A 40 9.850 8.510 -16.306 1.00 0.00 C ATOM 619 CD GLU A 40 10.081 7.802 -17.643 1.00 0.00 C ATOM 620 OE1 GLU A 40 9.213 7.047 -18.049 1.00 0.00 O ATOM 621 OE2 GLU A 40 11.122 8.027 -18.238 1.00 0.00 O ATOM 0 H GLU A 40 9.890 9.376 -13.919 1.00 0.00 H new ATOM 0 HA GLU A 40 7.424 10.163 -15.434 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.309 7.321 -15.366 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.741 8.277 -16.720 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.052 9.576 -16.407 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.539 8.125 -15.555 1.00 0.00 H new ATOM 628 N ILE A 41 5.875 9.181 -13.733 1.00 0.00 N ATOM 629 CA ILE A 41 4.982 8.641 -12.669 1.00 0.00 C ATOM 630 C ILE A 41 4.118 7.523 -13.257 1.00 0.00 C ATOM 631 O ILE A 41 3.527 7.670 -14.309 1.00 0.00 O ATOM 632 CB ILE A 41 4.078 9.755 -12.134 1.00 0.00 C ATOM 633 CG1 ILE A 41 4.798 11.105 -12.239 1.00 0.00 C ATOM 634 CG2 ILE A 41 3.739 9.475 -10.669 1.00 0.00 C ATOM 635 CD1 ILE A 41 5.983 11.132 -11.272 1.00 0.00 C ATOM 0 H ILE A 41 5.431 9.824 -14.388 1.00 0.00 H new ATOM 0 HA ILE A 41 5.588 8.249 -11.852 1.00 0.00 H new ATOM 0 HB ILE A 41 3.162 9.788 -12.724 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.145 11.265 -13.260 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.108 11.916 -12.006 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.095 10.267 -10.287 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.222 8.518 -10.592 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.658 9.439 -10.083 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.493 12.092 -11.348 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.624 10.992 -10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.678 10.331 -11.525 1.00 0.00 H new ATOM 647 N GLU A 42 4.039 6.407 -12.585 1.00 0.00 N ATOM 648 CA GLU A 42 3.213 5.281 -13.104 1.00 0.00 C ATOM 649 C GLU A 42 2.060 5.009 -12.136 1.00 0.00 C ATOM 650 O GLU A 42 2.266 4.768 -10.963 1.00 0.00 O ATOM 651 CB GLU A 42 4.083 4.027 -13.228 1.00 0.00 C ATOM 652 CG GLU A 42 3.266 2.900 -13.863 1.00 0.00 C ATOM 653 CD GLU A 42 4.125 2.169 -14.897 1.00 0.00 C ATOM 654 OE1 GLU A 42 4.907 2.828 -15.561 1.00 0.00 O ATOM 655 OE2 GLU A 42 3.985 0.961 -15.006 1.00 0.00 O ATOM 0 H GLU A 42 4.511 6.227 -11.699 1.00 0.00 H new ATOM 0 HA GLU A 42 2.812 5.543 -14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.962 4.240 -13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.441 3.721 -12.245 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.930 2.203 -13.095 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.373 3.306 -14.338 1.00 0.00 H new ATOM 662 N HIS A 43 0.846 5.043 -12.616 1.00 0.00 N ATOM 663 CA HIS A 43 -0.317 4.786 -11.721 1.00 0.00 C ATOM 664 C HIS A 43 -1.022 3.499 -12.155 1.00 0.00 C ATOM 665 O HIS A 43 -1.190 3.237 -13.329 1.00 0.00 O ATOM 666 CB HIS A 43 -1.297 5.959 -11.808 1.00 0.00 C ATOM 667 CG HIS A 43 -0.556 7.248 -11.580 1.00 0.00 C ATOM 668 ND1 HIS A 43 -0.934 8.154 -10.600 1.00 0.00 N ATOM 669 CD2 HIS A 43 0.543 7.795 -12.196 1.00 0.00 C ATOM 670 CE1 HIS A 43 -0.076 9.190 -10.653 1.00 0.00 C ATOM 671 NE2 HIS A 43 0.841 9.019 -11.607 1.00 0.00 N ATOM 0 H HIS A 43 0.610 5.238 -13.589 1.00 0.00 H new ATOM 0 HA HIS A 43 0.032 4.679 -10.694 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.779 5.972 -12.785 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.086 5.844 -11.065 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -1.719 8.054 -9.956 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.090 7.345 -13.011 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.124 10.052 -10.004 1.00 0.00 H new ATOM 679 N HIS A 44 -1.436 2.694 -11.214 1.00 0.00 N ATOM 680 CA HIS A 44 -2.130 1.424 -11.571 1.00 0.00 C ATOM 681 C HIS A 44 -3.636 1.583 -11.349 1.00 0.00 C ATOM 682 O HIS A 44 -4.087 1.843 -10.251 1.00 0.00 O ATOM 683 CB HIS A 44 -1.604 0.290 -10.689 1.00 0.00 C ATOM 684 CG HIS A 44 -0.104 0.357 -10.620 1.00 0.00 C ATOM 685 ND1 HIS A 44 0.579 0.448 -9.414 1.00 0.00 N ATOM 686 CD2 HIS A 44 0.862 0.343 -11.598 1.00 0.00 C ATOM 687 CE1 HIS A 44 1.895 0.485 -9.695 1.00 0.00 C ATOM 688 NE2 HIS A 44 2.119 0.424 -11.009 1.00 0.00 N ATOM 0 H HIS A 44 -1.324 2.861 -10.214 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.940 1.190 -12.618 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.028 0.368 -9.688 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.917 -0.673 -11.093 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.674 0.279 -12.660 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.673 0.555 -8.949 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.023 0.435 -11.482 1.00 0.00 H new ATOM 696 N LEU A 45 -4.418 1.422 -12.382 1.00 0.00 N ATOM 697 CA LEU A 45 -5.895 1.556 -12.228 1.00 0.00 C ATOM 698 C LEU A 45 -6.571 0.309 -12.799 1.00 0.00 C ATOM 699 O LEU A 45 -6.212 -0.175 -13.854 1.00 0.00 O ATOM 700 CB LEU A 45 -6.381 2.796 -12.985 1.00 0.00 C ATOM 701 CG LEU A 45 -6.007 4.059 -12.205 1.00 0.00 C ATOM 702 CD1 LEU A 45 -4.682 4.613 -12.731 1.00 0.00 C ATOM 703 CD2 LEU A 45 -7.104 5.112 -12.387 1.00 0.00 C ATOM 0 H LEU A 45 -4.098 1.204 -13.326 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.146 1.660 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.934 2.825 -13.979 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.461 2.749 -13.123 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.904 3.815 -11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.417 5.512 -12.175 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.899 3.865 -12.605 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.784 4.857 -13.788 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.840 6.012 -11.832 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.204 5.354 -13.445 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.050 4.720 -12.013 1.00 0.00 H new ATOM 715 N PHE A 46 -7.541 -0.224 -12.107 1.00 0.00 N ATOM 716 CA PHE A 46 -8.227 -1.446 -12.614 1.00 0.00 C ATOM 717 C PHE A 46 -9.737 -1.214 -12.666 1.00 0.00 C ATOM 718 O PHE A 46 -10.249 -0.251 -12.132 1.00 0.00 O ATOM 719 CB PHE A 46 -7.922 -2.620 -11.680 1.00 0.00 C ATOM 720 CG PHE A 46 -7.091 -2.135 -10.518 1.00 0.00 C ATOM 721 CD1 PHE A 46 -5.791 -1.667 -10.736 1.00 0.00 C ATOM 722 CD2 PHE A 46 -7.622 -2.152 -9.223 1.00 0.00 C ATOM 723 CE1 PHE A 46 -5.019 -1.216 -9.658 1.00 0.00 C ATOM 724 CE2 PHE A 46 -6.851 -1.702 -8.145 1.00 0.00 C ATOM 725 CZ PHE A 46 -5.550 -1.233 -8.362 1.00 0.00 C ATOM 0 H PHE A 46 -7.887 0.132 -11.216 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.867 -1.671 -13.618 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -8.851 -3.061 -11.318 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -7.388 -3.401 -12.222 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.383 -1.653 -11.736 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.626 -2.512 -9.056 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.015 -0.855 -9.826 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.260 -1.717 -7.146 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.956 -0.884 -7.530 1.00 0.00 H new ATOM 735 N ALA A 47 -10.452 -2.095 -13.310 1.00 0.00 N ATOM 736 CA ALA A 47 -11.930 -1.937 -13.403 1.00 0.00 C ATOM 737 C ALA A 47 -12.578 -3.316 -13.548 1.00 0.00 C ATOM 738 O ALA A 47 -11.902 -4.325 -13.618 1.00 0.00 O ATOM 739 CB ALA A 47 -12.271 -1.079 -14.622 1.00 0.00 C ATOM 0 H ALA A 47 -10.075 -2.920 -13.777 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.306 -1.452 -12.502 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.352 -0.961 -14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.805 -0.099 -14.519 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.899 -1.564 -15.524 1.00 0.00 H new ATOM 745 N GLU A 48 -13.882 -3.372 -13.589 1.00 0.00 N ATOM 746 CA GLU A 48 -14.567 -4.688 -13.726 1.00 0.00 C ATOM 747 C GLU A 48 -15.284 -4.757 -15.076 1.00 0.00 C ATOM 748 O GLU A 48 -15.462 -5.818 -15.642 1.00 0.00 O ATOM 749 CB GLU A 48 -15.590 -4.849 -12.599 1.00 0.00 C ATOM 750 CG GLU A 48 -16.001 -6.319 -12.486 1.00 0.00 C ATOM 751 CD GLU A 48 -16.898 -6.505 -11.261 1.00 0.00 C ATOM 752 OE1 GLU A 48 -17.644 -5.590 -10.953 1.00 0.00 O ATOM 753 OE2 GLU A 48 -16.823 -7.559 -10.651 1.00 0.00 O ATOM 0 H GLU A 48 -14.502 -2.564 -13.534 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.828 -5.487 -13.667 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.164 -4.506 -11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.465 -4.230 -12.797 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.529 -6.630 -13.387 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.116 -6.950 -12.401 1.00 0.00 H new ATOM 760 N ASP A 49 -15.701 -3.635 -15.596 1.00 0.00 N ATOM 761 CA ASP A 49 -16.408 -3.643 -16.909 1.00 0.00 C ATOM 762 C ASP A 49 -15.606 -2.839 -17.933 1.00 0.00 C ATOM 763 O ASP A 49 -15.499 -1.631 -17.843 1.00 0.00 O ATOM 764 CB ASP A 49 -17.794 -3.018 -16.744 1.00 0.00 C ATOM 765 CG ASP A 49 -18.764 -3.659 -17.738 1.00 0.00 C ATOM 766 OD1 ASP A 49 -18.659 -3.357 -18.915 1.00 0.00 O ATOM 767 OD2 ASP A 49 -19.593 -4.442 -17.306 1.00 0.00 O ATOM 0 H ASP A 49 -15.583 -2.716 -15.170 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.509 -4.671 -17.258 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.152 -3.164 -15.725 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.742 -1.942 -16.912 1.00 0.00 H new ATOM 772 N PHE A 50 -15.045 -3.498 -18.909 1.00 0.00 N ATOM 773 CA PHE A 50 -14.256 -2.770 -19.942 1.00 0.00 C ATOM 774 C PHE A 50 -15.056 -1.560 -20.425 1.00 0.00 C ATOM 775 O PHE A 50 -14.512 -0.620 -20.971 1.00 0.00 O ATOM 776 CB PHE A 50 -13.978 -3.705 -21.121 1.00 0.00 C ATOM 777 CG PHE A 50 -15.220 -3.822 -21.971 1.00 0.00 C ATOM 778 CD1 PHE A 50 -16.246 -4.697 -21.593 1.00 0.00 C ATOM 779 CD2 PHE A 50 -15.347 -3.056 -23.136 1.00 0.00 C ATOM 780 CE1 PHE A 50 -17.398 -4.806 -22.380 1.00 0.00 C ATOM 781 CE2 PHE A 50 -16.501 -3.165 -23.923 1.00 0.00 C ATOM 782 CZ PHE A 50 -17.526 -4.041 -23.545 1.00 0.00 C ATOM 0 H PHE A 50 -15.099 -4.509 -19.036 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.310 -2.435 -19.515 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -13.151 -3.320 -21.717 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -13.679 -4.688 -20.757 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -16.148 -5.288 -20.694 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -14.556 -2.381 -23.428 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -18.189 -5.481 -22.088 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -16.600 -2.573 -24.821 1.00 0.00 H new ATOM 0 HZ PHE A 50 -18.415 -4.126 -24.152 1.00 0.00 H new ATOM 792 N ASP A 51 -16.346 -1.576 -20.227 1.00 0.00 N ATOM 793 CA ASP A 51 -17.185 -0.428 -20.672 1.00 0.00 C ATOM 794 C ASP A 51 -16.814 0.816 -19.862 1.00 0.00 C ATOM 795 O ASP A 51 -16.230 1.750 -20.373 1.00 0.00 O ATOM 796 CB ASP A 51 -18.662 -0.761 -20.452 1.00 0.00 C ATOM 797 CG ASP A 51 -19.532 0.275 -21.168 1.00 0.00 C ATOM 798 OD1 ASP A 51 -19.837 0.059 -22.329 1.00 0.00 O ATOM 799 OD2 ASP A 51 -19.877 1.263 -20.543 1.00 0.00 O ATOM 0 H ASP A 51 -16.855 -2.336 -19.776 1.00 0.00 H new ATOM 0 HA ASP A 51 -17.011 -0.237 -21.731 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -18.881 -1.759 -20.831 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -18.889 -0.768 -19.386 1.00 0.00 H new ATOM 804 N LYS A 52 -17.146 0.836 -18.600 1.00 0.00 N ATOM 805 CA LYS A 52 -16.809 2.019 -17.763 1.00 0.00 C ATOM 806 C LYS A 52 -15.292 2.229 -17.773 1.00 0.00 C ATOM 807 O LYS A 52 -14.805 3.328 -17.593 1.00 0.00 O ATOM 808 CB LYS A 52 -17.299 1.786 -16.327 1.00 0.00 C ATOM 809 CG LYS A 52 -16.155 1.254 -15.459 1.00 0.00 C ATOM 810 CD LYS A 52 -16.705 0.820 -14.097 1.00 0.00 C ATOM 811 CE LYS A 52 -16.626 -0.702 -13.973 1.00 0.00 C ATOM 812 NZ LYS A 52 -17.614 -1.170 -12.959 1.00 0.00 N ATOM 0 H LYS A 52 -17.635 0.085 -18.114 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.297 2.907 -18.165 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -17.680 2.718 -15.909 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -18.126 1.076 -16.328 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.671 0.411 -15.953 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.396 2.025 -15.327 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.134 1.290 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.738 1.151 -13.989 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.830 -1.167 -14.937 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.620 -1.002 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.124 -1.720 -12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.080 -0.349 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.329 -1.768 -13.421 1.00 0.00 H new ATOM 826 N LEU A 53 -14.543 1.181 -17.983 1.00 0.00 N ATOM 827 CA LEU A 53 -13.060 1.315 -18.008 1.00 0.00 C ATOM 828 C LEU A 53 -12.647 2.187 -19.196 1.00 0.00 C ATOM 829 O LEU A 53 -12.034 3.224 -19.033 1.00 0.00 O ATOM 830 CB LEU A 53 -12.426 -0.071 -18.148 1.00 0.00 C ATOM 831 CG LEU A 53 -10.947 0.000 -17.765 1.00 0.00 C ATOM 832 CD1 LEU A 53 -10.372 -1.415 -17.687 1.00 0.00 C ATOM 833 CD2 LEU A 53 -10.187 0.801 -18.825 1.00 0.00 C ATOM 0 H LEU A 53 -14.895 0.237 -18.139 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.721 1.779 -17.082 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.944 -0.785 -17.508 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.530 -0.428 -19.173 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.844 0.487 -16.795 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.318 -1.365 -17.414 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.915 -1.987 -16.935 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.473 -1.903 -18.657 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.132 0.853 -18.555 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.289 0.312 -19.794 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.597 1.809 -18.883 1.00 0.00 H new ATOM 845 N GLU A 54 -12.980 1.776 -20.388 1.00 0.00 N ATOM 846 CA GLU A 54 -12.608 2.582 -21.585 1.00 0.00 C ATOM 847 C GLU A 54 -13.035 4.036 -21.372 1.00 0.00 C ATOM 848 O GLU A 54 -12.343 4.958 -21.753 1.00 0.00 O ATOM 849 CB GLU A 54 -13.317 2.020 -22.819 1.00 0.00 C ATOM 850 CG GLU A 54 -12.370 1.087 -23.575 1.00 0.00 C ATOM 851 CD GLU A 54 -13.186 0.029 -24.320 1.00 0.00 C ATOM 852 OE1 GLU A 54 -14.182 0.394 -24.922 1.00 0.00 O ATOM 853 OE2 GLU A 54 -12.801 -1.127 -24.276 1.00 0.00 O ATOM 0 H GLU A 54 -13.494 0.917 -20.585 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.529 2.536 -21.733 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -14.215 1.479 -22.520 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.637 2.834 -23.469 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.765 1.658 -24.279 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.682 0.608 -22.879 1.00 0.00 H new ATOM 860 N LYS A 55 -14.173 4.245 -20.769 1.00 0.00 N ATOM 861 CA LYS A 55 -14.649 5.637 -20.534 1.00 0.00 C ATOM 862 C LYS A 55 -13.618 6.400 -19.699 1.00 0.00 C ATOM 863 O LYS A 55 -13.216 7.494 -20.041 1.00 0.00 O ATOM 864 CB LYS A 55 -15.982 5.599 -19.785 1.00 0.00 C ATOM 865 CG LYS A 55 -17.048 4.950 -20.670 1.00 0.00 C ATOM 866 CD LYS A 55 -18.434 5.406 -20.212 1.00 0.00 C ATOM 867 CE LYS A 55 -19.503 4.502 -20.831 1.00 0.00 C ATOM 868 NZ LYS A 55 -20.493 5.336 -21.569 1.00 0.00 N ATOM 0 H LYS A 55 -14.794 3.511 -20.429 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.782 6.140 -21.492 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -15.874 5.037 -18.857 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -16.287 6.609 -19.512 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.888 5.226 -21.712 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.973 3.864 -20.612 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.499 5.370 -19.124 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -18.603 6.441 -20.508 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -19.040 3.784 -21.508 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -20.004 3.928 -20.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.219 4.722 -21.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -20.943 6.004 -20.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -20.009 5.865 -22.322 1.00 0.00 H new ATOM 882 N ALA A 56 -13.190 5.835 -18.604 1.00 0.00 N ATOM 883 CA ALA A 56 -12.189 6.532 -17.750 1.00 0.00 C ATOM 884 C ALA A 56 -10.857 6.627 -18.497 1.00 0.00 C ATOM 885 O ALA A 56 -10.386 7.701 -18.812 1.00 0.00 O ATOM 886 CB ALA A 56 -11.991 5.746 -16.451 1.00 0.00 C ATOM 0 H ALA A 56 -13.490 4.921 -18.264 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.546 7.535 -17.517 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.258 6.256 -15.825 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.939 5.679 -15.918 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.634 4.743 -16.684 1.00 0.00 H new ATOM 892 N ALA A 57 -10.246 5.509 -18.781 1.00 0.00 N ATOM 893 CA ALA A 57 -8.945 5.534 -19.506 1.00 0.00 C ATOM 894 C ALA A 57 -8.995 6.584 -20.618 1.00 0.00 C ATOM 895 O ALA A 57 -8.094 7.384 -20.770 1.00 0.00 O ATOM 896 CB ALA A 57 -8.675 4.158 -20.117 1.00 0.00 C ATOM 0 H ALA A 57 -10.592 4.580 -18.542 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.147 5.786 -18.807 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.723 4.176 -20.648 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.635 3.410 -19.325 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.474 3.906 -20.814 1.00 0.00 H new ATOM 902 N VAL A 58 -10.041 6.587 -21.399 1.00 0.00 N ATOM 903 CA VAL A 58 -10.144 7.584 -22.501 1.00 0.00 C ATOM 904 C VAL A 58 -9.978 8.996 -21.934 1.00 0.00 C ATOM 905 O VAL A 58 -9.196 9.785 -22.426 1.00 0.00 O ATOM 906 CB VAL A 58 -11.511 7.461 -23.176 1.00 0.00 C ATOM 907 CG1 VAL A 58 -11.862 8.780 -23.867 1.00 0.00 C ATOM 908 CG2 VAL A 58 -11.466 6.338 -24.215 1.00 0.00 C ATOM 0 H VAL A 58 -10.828 5.942 -21.321 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.360 7.395 -23.234 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.267 7.233 -22.425 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.836 8.691 -24.348 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.894 9.581 -23.128 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.106 9.009 -24.618 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.440 6.249 -24.697 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.709 6.567 -24.965 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -11.217 5.397 -23.724 1.00 0.00 H new ATOM 918 N GLU A 59 -10.710 9.322 -20.903 1.00 0.00 N ATOM 919 CA GLU A 59 -10.592 10.684 -20.310 1.00 0.00 C ATOM 920 C GLU A 59 -9.156 10.916 -19.835 1.00 0.00 C ATOM 921 O GLU A 59 -8.611 11.992 -19.978 1.00 0.00 O ATOM 922 CB GLU A 59 -11.548 10.807 -19.121 1.00 0.00 C ATOM 923 CG GLU A 59 -12.983 10.949 -19.634 1.00 0.00 C ATOM 924 CD GLU A 59 -13.302 12.429 -19.859 1.00 0.00 C ATOM 925 OE1 GLU A 59 -12.468 13.114 -20.430 1.00 0.00 O ATOM 926 OE2 GLU A 59 -14.372 12.852 -19.455 1.00 0.00 O ATOM 0 H GLU A 59 -11.383 8.706 -20.447 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.848 11.429 -21.063 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.464 9.929 -18.481 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.280 11.671 -18.513 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.104 10.395 -20.565 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.681 10.521 -18.915 1.00 0.00 H new ATOM 933 N ALA A 60 -8.537 9.913 -19.274 1.00 0.00 N ATOM 934 CA ALA A 60 -7.135 10.079 -18.795 1.00 0.00 C ATOM 935 C ALA A 60 -6.242 10.472 -19.973 1.00 0.00 C ATOM 936 O ALA A 60 -5.608 11.508 -19.966 1.00 0.00 O ATOM 937 CB ALA A 60 -6.640 8.761 -18.196 1.00 0.00 C ATOM 0 H ALA A 60 -8.940 8.988 -19.127 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.099 10.858 -18.033 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.615 8.883 -17.846 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.278 8.479 -17.359 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.673 7.981 -18.956 1.00 0.00 H new ATOM 943 N PHE A 61 -6.191 9.653 -20.988 1.00 0.00 N ATOM 944 CA PHE A 61 -5.343 9.980 -22.167 1.00 0.00 C ATOM 945 C PHE A 61 -5.616 11.421 -22.601 1.00 0.00 C ATOM 946 O PHE A 61 -4.707 12.192 -22.833 1.00 0.00 O ATOM 947 CB PHE A 61 -5.683 9.029 -23.316 1.00 0.00 C ATOM 948 CG PHE A 61 -4.750 9.285 -24.474 1.00 0.00 C ATOM 949 CD1 PHE A 61 -3.429 8.824 -24.424 1.00 0.00 C ATOM 950 CD2 PHE A 61 -5.206 9.984 -25.598 1.00 0.00 C ATOM 951 CE1 PHE A 61 -2.564 9.060 -25.499 1.00 0.00 C ATOM 952 CE2 PHE A 61 -4.340 10.221 -26.673 1.00 0.00 C ATOM 953 CZ PHE A 61 -3.020 9.759 -26.623 1.00 0.00 C ATOM 0 H PHE A 61 -6.700 8.772 -21.051 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.291 9.871 -21.904 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.593 7.994 -22.985 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.717 9.175 -23.629 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.077 8.286 -23.556 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.225 10.340 -25.636 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.545 8.703 -25.461 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.691 10.760 -27.540 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.353 9.942 -27.452 1.00 0.00 H new ATOM 963 N LYS A 62 -6.862 11.790 -22.709 1.00 0.00 N ATOM 964 CA LYS A 62 -7.195 13.180 -23.126 1.00 0.00 C ATOM 965 C LYS A 62 -6.388 14.170 -22.283 1.00 0.00 C ATOM 966 O LYS A 62 -5.609 14.947 -22.798 1.00 0.00 O ATOM 967 CB LYS A 62 -8.691 13.431 -22.916 1.00 0.00 C ATOM 968 CG LYS A 62 -9.386 13.559 -24.273 1.00 0.00 C ATOM 969 CD LYS A 62 -10.868 13.869 -24.059 1.00 0.00 C ATOM 970 CE LYS A 62 -11.024 15.311 -23.571 1.00 0.00 C ATOM 971 NZ LYS A 62 -10.825 15.361 -22.095 1.00 0.00 N ATOM 0 H LYS A 62 -7.665 11.188 -22.526 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.949 13.314 -24.179 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.131 12.612 -22.347 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -8.839 14.340 -22.333 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.919 14.350 -24.860 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.275 12.634 -24.839 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.418 13.728 -24.989 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.293 13.179 -23.330 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.299 15.955 -24.068 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.014 15.688 -23.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.594 15.910 -21.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.829 14.394 -21.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.913 15.814 -21.883 1.00 0.00 H new ATOM 985 N MET A 63 -6.566 14.145 -20.990 1.00 0.00 N ATOM 986 CA MET A 63 -5.806 15.084 -20.118 1.00 0.00 C ATOM 987 C MET A 63 -4.329 15.062 -20.515 1.00 0.00 C ATOM 988 O MET A 63 -3.764 16.068 -20.898 1.00 0.00 O ATOM 989 CB MET A 63 -5.948 14.653 -18.657 1.00 0.00 C ATOM 990 CG MET A 63 -7.343 15.021 -18.151 1.00 0.00 C ATOM 991 SD MET A 63 -7.383 14.897 -16.345 1.00 0.00 S ATOM 992 CE MET A 63 -8.432 13.425 -16.244 1.00 0.00 C ATOM 0 H MET A 63 -7.203 13.516 -20.501 1.00 0.00 H new ATOM 0 HA MET A 63 -6.201 16.093 -20.238 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.788 13.579 -18.566 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.188 15.141 -18.047 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.599 16.034 -18.462 1.00 0.00 H new ATOM 0 HG3 MET A 63 -8.087 14.356 -18.588 1.00 0.00 H new ATOM 0 HE1 MET A 63 -8.664 13.215 -15.200 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.357 13.599 -16.794 1.00 0.00 H new ATOM 0 HE3 MET A 63 -7.907 12.574 -16.677 1.00 0.00 H new ATOM 1002 N GLY A 64 -3.700 13.923 -20.428 1.00 0.00 N ATOM 1003 CA GLY A 64 -2.260 13.836 -20.801 1.00 0.00 C ATOM 1004 C GLY A 64 -1.629 12.616 -20.128 1.00 0.00 C ATOM 1005 O GLY A 64 -0.467 12.620 -19.776 1.00 0.00 O ATOM 0 H GLY A 64 -4.121 13.048 -20.115 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.158 13.760 -21.884 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.739 14.743 -20.495 1.00 0.00 H new ATOM 1009 N PHE A 65 -2.388 11.569 -19.947 1.00 0.00 N ATOM 1010 CA PHE A 65 -1.832 10.350 -19.296 1.00 0.00 C ATOM 1011 C PHE A 65 -1.528 9.297 -20.365 1.00 0.00 C ATOM 1012 O PHE A 65 -2.193 9.218 -21.379 1.00 0.00 O ATOM 1013 CB PHE A 65 -2.856 9.788 -18.308 1.00 0.00 C ATOM 1014 CG PHE A 65 -2.920 10.671 -17.084 1.00 0.00 C ATOM 1015 CD1 PHE A 65 -1.860 10.680 -16.169 1.00 0.00 C ATOM 1016 CD2 PHE A 65 -4.042 11.479 -16.863 1.00 0.00 C ATOM 1017 CE1 PHE A 65 -1.923 11.498 -15.033 1.00 0.00 C ATOM 1018 CE2 PHE A 65 -4.105 12.295 -15.727 1.00 0.00 C ATOM 1019 CZ PHE A 65 -3.046 12.305 -14.813 1.00 0.00 C ATOM 0 H PHE A 65 -3.368 11.506 -20.222 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.916 10.607 -18.765 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.837 9.731 -18.779 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.581 8.773 -18.022 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.994 10.057 -16.339 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.859 11.473 -17.569 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.106 11.506 -14.327 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.971 12.917 -15.556 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.095 12.935 -13.937 1.00 0.00 H new ATOM 1029 N GLU A 66 -0.533 8.484 -20.144 1.00 0.00 N ATOM 1030 CA GLU A 66 -0.193 7.435 -21.147 1.00 0.00 C ATOM 1031 C GLU A 66 -0.795 6.101 -20.707 1.00 0.00 C ATOM 1032 O GLU A 66 -0.129 5.270 -20.120 1.00 0.00 O ATOM 1033 CB GLU A 66 1.327 7.300 -21.252 1.00 0.00 C ATOM 1034 CG GLU A 66 1.830 8.113 -22.446 1.00 0.00 C ATOM 1035 CD GLU A 66 1.560 9.599 -22.204 1.00 0.00 C ATOM 1036 OE1 GLU A 66 2.069 10.121 -21.225 1.00 0.00 O ATOM 1037 OE2 GLU A 66 0.850 10.190 -23.000 1.00 0.00 O ATOM 0 H GLU A 66 0.059 8.500 -19.314 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.598 7.716 -22.119 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.798 7.652 -20.334 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.602 6.252 -21.370 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.897 7.945 -22.589 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.331 7.786 -23.358 1.00 0.00 H new ATOM 1044 N VAL A 67 -2.052 5.888 -20.982 1.00 0.00 N ATOM 1045 CA VAL A 67 -2.696 4.608 -20.575 1.00 0.00 C ATOM 1046 C VAL A 67 -1.974 3.436 -21.241 1.00 0.00 C ATOM 1047 O VAL A 67 -1.846 3.378 -22.448 1.00 0.00 O ATOM 1048 CB VAL A 67 -4.162 4.614 -21.009 1.00 0.00 C ATOM 1049 CG1 VAL A 67 -4.271 5.164 -22.431 1.00 0.00 C ATOM 1050 CG2 VAL A 67 -4.707 3.184 -20.974 1.00 0.00 C ATOM 0 H VAL A 67 -2.661 6.545 -21.471 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.637 4.502 -19.492 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.740 5.243 -20.331 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.316 5.168 -22.740 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.880 6.181 -22.459 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.694 4.535 -23.109 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.752 3.185 -21.283 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.129 2.557 -21.653 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.629 2.789 -19.961 1.00 0.00 H new ATOM 1060 N LEU A 68 -1.506 2.498 -20.464 1.00 0.00 N ATOM 1061 CA LEU A 68 -0.798 1.328 -21.050 1.00 0.00 C ATOM 1062 C LEU A 68 -1.736 0.121 -21.049 1.00 0.00 C ATOM 1063 O LEU A 68 -2.523 -0.063 -20.143 1.00 0.00 O ATOM 1064 CB LEU A 68 0.443 1.010 -20.216 1.00 0.00 C ATOM 1065 CG LEU A 68 1.625 0.732 -21.146 1.00 0.00 C ATOM 1066 CD1 LEU A 68 2.890 0.523 -20.313 1.00 0.00 C ATOM 1067 CD2 LEU A 68 1.341 -0.528 -21.967 1.00 0.00 C ATOM 0 H LEU A 68 -1.584 2.493 -19.447 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.496 1.558 -22.072 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.675 1.846 -19.556 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.255 0.145 -19.580 1.00 0.00 H new ATOM 0 HG LEU A 68 1.768 1.579 -21.817 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.733 0.325 -20.975 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.092 1.420 -19.727 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.748 -0.325 -19.642 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.183 -0.727 -22.630 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.199 -1.375 -21.296 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.439 -0.380 -22.560 1.00 0.00 H new ATOM 1079 N GLU A 69 -1.660 -0.703 -22.056 1.00 0.00 N ATOM 1080 CA GLU A 69 -2.551 -1.895 -22.105 1.00 0.00 C ATOM 1081 C GLU A 69 -2.668 -2.498 -20.705 1.00 0.00 C ATOM 1082 O GLU A 69 -1.885 -2.202 -19.823 1.00 0.00 O ATOM 1083 CB GLU A 69 -1.962 -2.933 -23.066 1.00 0.00 C ATOM 1084 CG GLU A 69 -2.964 -3.221 -24.186 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.004 -2.037 -25.154 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -1.950 -1.498 -25.444 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.090 -1.689 -25.588 1.00 0.00 O ATOM 0 H GLU A 69 -1.021 -0.603 -22.845 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.540 -1.599 -22.456 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.027 -2.564 -23.487 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.729 -3.852 -22.527 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.680 -4.129 -24.718 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.955 -3.394 -23.766 1.00 0.00 H new ATOM 1094 N ALA A 70 -3.642 -3.340 -20.491 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.809 -3.958 -19.147 1.00 0.00 C ATOM 1096 C ALA A 70 -3.505 -5.454 -19.231 1.00 0.00 C ATOM 1097 O ALA A 70 -3.255 -5.989 -20.293 1.00 0.00 O ATOM 1098 CB ALA A 70 -5.249 -3.758 -18.671 1.00 0.00 C ATOM 0 H ALA A 70 -4.329 -3.626 -21.189 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.123 -3.487 -18.443 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.373 -4.210 -17.687 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.468 -2.692 -18.611 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.934 -4.229 -19.376 1.00 0.00 H new ATOM 1104 N GLU A 71 -3.523 -6.134 -18.117 1.00 0.00 N ATOM 1105 CA GLU A 71 -3.233 -7.596 -18.132 1.00 0.00 C ATOM 1106 C GLU A 71 -4.254 -8.326 -17.255 1.00 0.00 C ATOM 1107 O GLU A 71 -4.806 -7.764 -16.330 1.00 0.00 O ATOM 1108 CB GLU A 71 -1.825 -7.843 -17.588 1.00 0.00 C ATOM 1109 CG GLU A 71 -1.516 -9.341 -17.629 1.00 0.00 C ATOM 1110 CD GLU A 71 -1.470 -9.895 -16.204 1.00 0.00 C ATOM 1111 OE1 GLU A 71 -2.484 -9.820 -15.528 1.00 0.00 O ATOM 1112 OE2 GLU A 71 -0.424 -10.384 -15.813 1.00 0.00 O ATOM 0 H GLU A 71 -3.726 -5.741 -17.198 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.297 -7.969 -19.154 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.093 -7.294 -18.181 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.749 -7.473 -16.565 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.277 -9.864 -18.209 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.562 -9.512 -18.127 1.00 0.00 H new ATOM 1119 N GLU A 72 -4.508 -9.573 -17.539 1.00 0.00 N ATOM 1120 CA GLU A 72 -5.492 -10.337 -16.721 1.00 0.00 C ATOM 1121 C GLU A 72 -4.854 -10.717 -15.385 1.00 0.00 C ATOM 1122 O GLU A 72 -4.038 -11.614 -15.308 1.00 0.00 O ATOM 1123 CB GLU A 72 -5.903 -11.607 -17.470 1.00 0.00 C ATOM 1124 CG GLU A 72 -6.267 -11.255 -18.915 1.00 0.00 C ATOM 1125 CD GLU A 72 -7.755 -11.525 -19.151 1.00 0.00 C ATOM 1126 OE1 GLU A 72 -8.563 -10.811 -18.582 1.00 0.00 O ATOM 1127 OE2 GLU A 72 -8.060 -12.442 -19.896 1.00 0.00 O ATOM 0 H GLU A 72 -4.077 -10.096 -18.301 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.373 -9.721 -16.542 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.088 -12.330 -17.455 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.753 -12.075 -16.974 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.042 -10.207 -19.112 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.666 -11.846 -19.606 1.00 0.00 H new ATOM 1134 N THR A 73 -5.220 -10.042 -14.330 1.00 0.00 N ATOM 1135 CA THR A 73 -4.633 -10.365 -13.000 1.00 0.00 C ATOM 1136 C THR A 73 -5.757 -10.603 -11.991 1.00 0.00 C ATOM 1137 O THR A 73 -6.787 -11.159 -12.315 1.00 0.00 O ATOM 1138 CB THR A 73 -3.766 -9.195 -12.529 1.00 0.00 C ATOM 1139 OG1 THR A 73 -3.394 -9.401 -11.172 1.00 0.00 O ATOM 1140 CG2 THR A 73 -4.553 -7.890 -12.652 1.00 0.00 C ATOM 0 H THR A 73 -5.900 -9.281 -14.332 1.00 0.00 H new ATOM 0 HA THR A 73 -4.021 -11.263 -13.081 1.00 0.00 H new ATOM 0 HB THR A 73 -2.871 -9.134 -13.147 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.837 -8.654 -10.868 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.934 -7.058 -12.316 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.837 -7.733 -13.693 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.450 -7.947 -12.035 1.00 0.00 H new ATOM 1223 N LYS A 80 -10.501 -12.135 -12.124 1.00 0.00 N ATOM 1224 CA LYS A 80 -10.272 -11.995 -13.590 1.00 0.00 C ATOM 1225 C LYS A 80 -10.733 -10.611 -14.055 1.00 0.00 C ATOM 1226 O LYS A 80 -11.747 -10.472 -14.711 1.00 0.00 O ATOM 1227 CB LYS A 80 -11.067 -13.072 -14.331 1.00 0.00 C ATOM 1228 CG LYS A 80 -10.503 -13.245 -15.742 1.00 0.00 C ATOM 1229 CD LYS A 80 -9.407 -14.312 -15.726 1.00 0.00 C ATOM 1230 CE LYS A 80 -8.975 -14.621 -17.160 1.00 0.00 C ATOM 1231 NZ LYS A 80 -7.549 -15.052 -17.168 1.00 0.00 N ATOM 0 HA LYS A 80 -9.209 -12.111 -13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.013 -14.016 -13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.119 -12.792 -14.381 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.297 -13.535 -16.430 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.099 -12.299 -16.102 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.553 -13.963 -15.145 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.773 -15.217 -15.242 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.605 -15.405 -17.580 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.103 -13.739 -17.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.255 -15.262 -18.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.954 -14.290 -16.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.441 -15.905 -16.583 1.00 0.00 H new ATOM 1245 N LEU A 81 -9.993 -9.586 -13.730 1.00 0.00 N ATOM 1246 CA LEU A 81 -10.388 -8.216 -14.162 1.00 0.00 C ATOM 1247 C LEU A 81 -9.291 -7.631 -15.052 1.00 0.00 C ATOM 1248 O LEU A 81 -8.404 -8.331 -15.500 1.00 0.00 O ATOM 1249 CB LEU A 81 -10.586 -7.322 -12.936 1.00 0.00 C ATOM 1250 CG LEU A 81 -9.616 -7.740 -11.830 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -8.181 -7.468 -12.280 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -9.914 -6.935 -10.563 1.00 0.00 C ATOM 0 H LEU A 81 -9.133 -9.638 -13.184 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.323 -8.268 -14.720 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.419 -6.279 -13.204 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.613 -7.399 -12.580 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.736 -8.804 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.490 -7.766 -11.492 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.969 -8.039 -13.184 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.060 -6.405 -12.486 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.224 -7.231 -9.773 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.793 -5.872 -10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.938 -7.128 -10.242 1.00 0.00 H new ATOM 1264 N LEU A 82 -9.341 -6.354 -15.318 1.00 0.00 N ATOM 1265 CA LEU A 82 -8.298 -5.734 -16.183 1.00 0.00 C ATOM 1266 C LEU A 82 -7.565 -4.639 -15.405 1.00 0.00 C ATOM 1267 O LEU A 82 -8.156 -3.900 -14.643 1.00 0.00 O ATOM 1268 CB LEU A 82 -8.960 -5.122 -17.420 1.00 0.00 C ATOM 1269 CG LEU A 82 -9.483 -6.239 -18.325 1.00 0.00 C ATOM 1270 CD1 LEU A 82 -10.951 -6.516 -17.996 1.00 0.00 C ATOM 1271 CD2 LEU A 82 -9.363 -5.808 -19.788 1.00 0.00 C ATOM 0 H LEU A 82 -10.058 -5.715 -14.974 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.584 -6.498 -16.490 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.779 -4.468 -17.121 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.242 -4.506 -17.962 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.896 -7.143 -18.162 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.324 -7.312 -18.640 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.039 -6.822 -16.954 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.537 -5.612 -18.159 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.735 -6.604 -20.433 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.950 -4.904 -19.950 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.318 -5.609 -20.024 1.00 0.00 H new ATOM 1283 N CYS A 83 -6.278 -4.528 -15.597 1.00 0.00 N ATOM 1284 CA CYS A 83 -5.501 -3.481 -14.879 1.00 0.00 C ATOM 1285 C CYS A 83 -4.637 -2.717 -15.884 1.00 0.00 C ATOM 1286 O CYS A 83 -3.604 -3.189 -16.312 1.00 0.00 O ATOM 1287 CB CYS A 83 -4.602 -4.140 -13.829 1.00 0.00 C ATOM 1288 SG CYS A 83 -3.091 -3.164 -13.626 1.00 0.00 S ATOM 0 H CYS A 83 -5.731 -5.120 -16.222 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.186 -2.791 -14.386 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.130 -4.214 -12.878 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.353 -5.156 -14.135 1.00 0.00 H new ATOM 0 HG CYS A 83 -2.585 -2.899 -14.794 1.00 0.00 H new ATOM 1294 N PHE A 84 -5.052 -1.540 -16.269 1.00 0.00 N ATOM 1295 CA PHE A 84 -4.250 -0.756 -17.251 1.00 0.00 C ATOM 1296 C PHE A 84 -3.276 0.155 -16.502 1.00 0.00 C ATOM 1297 O PHE A 84 -3.542 0.593 -15.400 1.00 0.00 O ATOM 1298 CB PHE A 84 -5.183 0.091 -18.122 1.00 0.00 C ATOM 1299 CG PHE A 84 -6.164 0.835 -17.247 1.00 0.00 C ATOM 1300 CD1 PHE A 84 -7.227 0.152 -16.645 1.00 0.00 C ATOM 1301 CD2 PHE A 84 -6.012 2.212 -17.042 1.00 0.00 C ATOM 1302 CE1 PHE A 84 -8.138 0.844 -15.839 1.00 0.00 C ATOM 1303 CE2 PHE A 84 -6.923 2.904 -16.236 1.00 0.00 C ATOM 1304 CZ PHE A 84 -7.987 2.220 -15.634 1.00 0.00 C ATOM 0 H PHE A 84 -5.908 -1.089 -15.947 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.689 -1.440 -17.888 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.601 0.797 -18.714 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -5.719 -0.547 -18.824 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -7.344 -0.910 -16.803 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.192 2.740 -17.506 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.958 0.316 -15.375 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.806 3.966 -16.078 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.690 2.754 -15.012 1.00 0.00 H new ATOM 1314 N ASP A 85 -2.147 0.440 -17.091 1.00 0.00 N ATOM 1315 CA ASP A 85 -1.154 1.319 -16.412 1.00 0.00 C ATOM 1316 C ASP A 85 -1.194 2.713 -17.036 1.00 0.00 C ATOM 1317 O ASP A 85 -1.598 2.886 -18.170 1.00 0.00 O ATOM 1318 CB ASP A 85 0.249 0.730 -16.573 1.00 0.00 C ATOM 1319 CG ASP A 85 0.159 -0.794 -16.671 1.00 0.00 C ATOM 1320 OD1 ASP A 85 -0.083 -1.420 -15.653 1.00 0.00 O ATOM 1321 OD2 ASP A 85 0.333 -1.309 -17.763 1.00 0.00 O ATOM 0 H ASP A 85 -1.870 0.102 -18.013 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.399 1.387 -15.352 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.723 1.134 -17.467 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.873 1.014 -15.725 1.00 0.00 H new ATOM 1326 N ALA A 86 -0.777 3.711 -16.306 1.00 0.00 N ATOM 1327 CA ALA A 86 -0.790 5.095 -16.856 1.00 0.00 C ATOM 1328 C ALA A 86 0.566 5.756 -16.599 1.00 0.00 C ATOM 1329 O ALA A 86 1.084 5.727 -15.500 1.00 0.00 O ATOM 1330 CB ALA A 86 -1.893 5.906 -16.171 1.00 0.00 C ATOM 0 H ALA A 86 -0.428 3.627 -15.351 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.980 5.060 -17.929 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.903 6.919 -16.573 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.858 5.434 -16.353 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.704 5.943 -15.098 1.00 0.00 H new ATOM 1336 N THR A 87 1.145 6.353 -17.604 1.00 0.00 N ATOM 1337 CA THR A 87 2.466 7.015 -17.416 1.00 0.00 C ATOM 1338 C THR A 87 2.324 8.518 -17.662 1.00 0.00 C ATOM 1339 O THR A 87 1.580 8.948 -18.521 1.00 0.00 O ATOM 1340 CB THR A 87 3.475 6.431 -18.409 1.00 0.00 C ATOM 1341 OG1 THR A 87 2.783 5.673 -19.391 1.00 0.00 O ATOM 1342 CG2 THR A 87 4.463 5.529 -17.668 1.00 0.00 C ATOM 0 H THR A 87 0.760 6.411 -18.547 1.00 0.00 H new ATOM 0 HA THR A 87 2.815 6.844 -16.398 1.00 0.00 H new ATOM 0 HB THR A 87 4.021 7.242 -18.891 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.426 5.299 -20.029 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.180 5.115 -18.377 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.993 6.112 -16.915 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.921 4.717 -17.183 1.00 0.00 H new ATOM 1350 N MET A 88 3.030 9.319 -16.914 1.00 0.00 N ATOM 1351 CA MET A 88 2.934 10.793 -17.107 1.00 0.00 C ATOM 1352 C MET A 88 4.267 11.447 -16.735 1.00 0.00 C ATOM 1353 O MET A 88 4.714 11.366 -15.607 1.00 0.00 O ATOM 1354 CB MET A 88 1.827 11.352 -16.211 1.00 0.00 C ATOM 1355 CG MET A 88 1.109 12.492 -16.936 1.00 0.00 C ATOM 1356 SD MET A 88 0.525 13.703 -15.724 1.00 0.00 S ATOM 1357 CE MET A 88 -1.053 14.079 -16.524 1.00 0.00 C ATOM 0 H MET A 88 3.669 9.017 -16.178 1.00 0.00 H new ATOM 0 HA MET A 88 2.703 11.007 -18.151 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.117 10.564 -15.958 1.00 0.00 H new ATOM 0 HB3 MET A 88 2.251 11.713 -15.274 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.785 12.969 -17.646 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.269 12.101 -17.509 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.788 14.355 -15.768 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.920 14.907 -17.220 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.404 13.202 -17.067 1.00 0.00 H new ATOM 1367 N GLN A 89 4.905 12.095 -17.671 1.00 0.00 N ATOM 1368 CA GLN A 89 6.206 12.755 -17.363 1.00 0.00 C ATOM 1369 C GLN A 89 5.951 13.972 -16.474 1.00 0.00 C ATOM 1370 O GLN A 89 5.247 14.889 -16.849 1.00 0.00 O ATOM 1371 CB GLN A 89 6.878 13.208 -18.664 1.00 0.00 C ATOM 1372 CG GLN A 89 6.612 12.184 -19.769 1.00 0.00 C ATOM 1373 CD GLN A 89 7.235 10.840 -19.386 1.00 0.00 C ATOM 1374 OE1 GLN A 89 7.792 10.697 -18.316 1.00 0.00 O ATOM 1375 NE2 GLN A 89 7.166 9.841 -20.223 1.00 0.00 N ATOM 0 H GLN A 89 4.583 12.196 -18.634 1.00 0.00 H new ATOM 0 HA GLN A 89 6.859 12.050 -16.848 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.495 14.184 -18.961 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.951 13.320 -18.510 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.539 12.068 -19.921 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.031 12.535 -20.712 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.699 9.960 -21.122 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.580 8.941 -19.978 1.00 0.00 H new ATOM 1384 N SER A 90 6.508 13.990 -15.295 1.00 0.00 N ATOM 1385 CA SER A 90 6.282 15.150 -14.387 1.00 0.00 C ATOM 1386 C SER A 90 7.567 15.465 -13.618 1.00 0.00 C ATOM 1387 O SER A 90 8.280 14.579 -13.189 1.00 0.00 O ATOM 1388 CB SER A 90 5.169 14.809 -13.398 1.00 0.00 C ATOM 1389 OG SER A 90 5.537 15.263 -12.103 1.00 0.00 O ATOM 0 H SER A 90 7.108 13.255 -14.922 1.00 0.00 H new ATOM 0 HA SER A 90 5.995 16.020 -14.978 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.235 15.277 -13.708 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.997 13.733 -13.383 1.00 0.00 H new ATOM 0 HG SER A 90 4.906 14.910 -11.441 1.00 0.00 H new ATOM 1395 N ALA A 91 7.865 16.723 -13.435 1.00 0.00 N ATOM 1396 CA ALA A 91 9.099 17.097 -12.690 1.00 0.00 C ATOM 1397 C ALA A 91 9.029 16.519 -11.274 1.00 0.00 C ATOM 1398 O ALA A 91 7.979 16.477 -10.664 1.00 0.00 O ATOM 1399 CB ALA A 91 9.209 18.622 -12.614 1.00 0.00 C ATOM 0 H ALA A 91 7.306 17.508 -13.770 1.00 0.00 H new ATOM 0 HA ALA A 91 9.972 16.697 -13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.112 18.895 -12.069 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.255 19.034 -13.622 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.338 19.024 -12.097 1.00 0.00 H new ATOM 1405 N LEU A 92 10.136 16.073 -10.748 1.00 0.00 N ATOM 1406 CA LEU A 92 10.126 15.497 -9.375 1.00 0.00 C ATOM 1407 C LEU A 92 9.610 16.543 -8.384 1.00 0.00 C ATOM 1408 O LEU A 92 10.271 17.523 -8.100 1.00 0.00 O ATOM 1409 CB LEU A 92 11.548 15.081 -8.986 1.00 0.00 C ATOM 1410 CG LEU A 92 11.503 13.779 -8.181 1.00 0.00 C ATOM 1411 CD1 LEU A 92 12.911 13.188 -8.085 1.00 0.00 C ATOM 1412 CD2 LEU A 92 10.975 14.071 -6.774 1.00 0.00 C ATOM 0 H LEU A 92 11.046 16.083 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 92 9.473 14.625 -9.352 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.155 14.946 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.019 15.868 -8.397 1.00 0.00 H new ATOM 0 HG LEU A 92 10.845 13.066 -8.678 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.878 12.261 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.288 12.982 -9.087 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.571 13.899 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.942 13.146 -6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.635 14.783 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.972 14.492 -6.842 1.00 0.00 H new ATOM 1424 N ASP A 93 8.435 16.342 -7.857 1.00 0.00 N ATOM 1425 CA ASP A 93 7.875 17.323 -6.884 1.00 0.00 C ATOM 1426 C ASP A 93 6.618 16.736 -6.238 1.00 0.00 C ATOM 1427 O ASP A 93 5.732 16.248 -6.912 1.00 0.00 O ATOM 1428 CB ASP A 93 7.515 18.619 -7.618 1.00 0.00 C ATOM 1429 CG ASP A 93 8.449 19.742 -7.164 1.00 0.00 C ATOM 1430 OD1 ASP A 93 9.651 19.538 -7.202 1.00 0.00 O ATOM 1431 OD2 ASP A 93 7.945 20.787 -6.785 1.00 0.00 O ATOM 0 H ASP A 93 7.837 15.540 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 93 8.615 17.536 -6.113 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.600 18.475 -8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.479 18.889 -7.414 1.00 0.00 H new ATOM 1436 N ALA A 94 6.533 16.775 -4.936 1.00 0.00 N ATOM 1437 CA ALA A 94 5.336 16.216 -4.250 1.00 0.00 C ATOM 1438 C ALA A 94 4.088 16.997 -4.670 1.00 0.00 C ATOM 1439 O ALA A 94 3.088 16.427 -5.057 1.00 0.00 O ATOM 1440 CB ALA A 94 5.519 16.327 -2.735 1.00 0.00 C ATOM 0 H ALA A 94 7.242 17.170 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 94 5.217 15.169 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.643 15.918 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.405 15.768 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.640 17.374 -2.459 1.00 0.00 H new ATOM 1446 N LYS A 95 4.139 18.299 -4.596 1.00 0.00 N ATOM 1447 CA LYS A 95 2.954 19.116 -4.988 1.00 0.00 C ATOM 1448 C LYS A 95 2.492 18.711 -6.388 1.00 0.00 C ATOM 1449 O LYS A 95 1.327 18.809 -6.720 1.00 0.00 O ATOM 1450 CB LYS A 95 3.335 20.598 -4.984 1.00 0.00 C ATOM 1451 CG LYS A 95 2.128 21.439 -4.559 1.00 0.00 C ATOM 1452 CD LYS A 95 2.586 22.860 -4.228 1.00 0.00 C ATOM 1453 CE LYS A 95 3.018 23.569 -5.513 1.00 0.00 C ATOM 1454 NZ LYS A 95 4.470 23.326 -5.749 1.00 0.00 N ATOM 0 H LYS A 95 4.949 18.833 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 95 2.145 18.946 -4.278 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.167 20.768 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 95 3.670 20.900 -5.976 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.388 21.461 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.646 20.990 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.777 23.412 -3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.414 22.831 -3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.435 23.202 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.825 24.639 -5.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.965 24.237 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.866 22.789 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.593 22.783 -6.627 1.00 0.00 H new ATOM 1468 N LEU A 96 3.395 18.259 -7.215 1.00 0.00 N ATOM 1469 CA LEU A 96 3.005 17.852 -8.594 1.00 0.00 C ATOM 1470 C LEU A 96 2.268 16.510 -8.543 1.00 0.00 C ATOM 1471 O LEU A 96 1.197 16.359 -9.095 1.00 0.00 O ATOM 1472 CB LEU A 96 4.263 17.712 -9.457 1.00 0.00 C ATOM 1473 CG LEU A 96 3.981 18.221 -10.873 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.845 17.406 -11.494 1.00 0.00 C ATOM 1475 CD2 LEU A 96 3.580 19.697 -10.817 1.00 0.00 C ATOM 0 H LEU A 96 4.385 18.154 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 96 2.349 18.608 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.083 18.277 -9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.577 16.669 -9.492 1.00 0.00 H new ATOM 0 HG LEU A 96 4.879 18.112 -11.481 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.645 17.769 -12.502 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.132 16.355 -11.537 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.947 17.512 -10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.380 20.058 -11.826 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.683 19.808 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.391 20.278 -10.378 1.00 0.00 H new ATOM 1487 N ILE A 97 2.836 15.537 -7.886 1.00 0.00 N ATOM 1488 CA ILE A 97 2.171 14.206 -7.803 1.00 0.00 C ATOM 1489 C ILE A 97 0.856 14.334 -7.030 1.00 0.00 C ATOM 1490 O ILE A 97 -0.078 13.587 -7.249 1.00 0.00 O ATOM 1491 CB ILE A 97 3.092 13.223 -7.077 1.00 0.00 C ATOM 1492 CG1 ILE A 97 4.322 12.944 -7.944 1.00 0.00 C ATOM 1493 CG2 ILE A 97 2.343 11.915 -6.822 1.00 0.00 C ATOM 1494 CD1 ILE A 97 5.471 12.459 -7.058 1.00 0.00 C ATOM 0 H ILE A 97 3.732 15.606 -7.403 1.00 0.00 H new ATOM 0 HA ILE A 97 1.965 13.842 -8.809 1.00 0.00 H new ATOM 0 HB ILE A 97 3.406 13.653 -6.126 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.087 12.192 -8.697 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.617 13.848 -8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.999 11.215 -6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.465 12.112 -6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.030 11.484 -7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.347 12.260 -7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.712 13.226 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.174 11.545 -6.545 1.00 0.00 H new ATOM 1506 N ASP A 98 0.776 15.270 -6.125 1.00 0.00 N ATOM 1507 CA ASP A 98 -0.477 15.441 -5.336 1.00 0.00 C ATOM 1508 C ASP A 98 -1.599 15.931 -6.253 1.00 0.00 C ATOM 1509 O ASP A 98 -2.682 15.383 -6.273 1.00 0.00 O ATOM 1510 CB ASP A 98 -0.238 16.466 -4.224 1.00 0.00 C ATOM 1511 CG ASP A 98 -1.561 17.138 -3.848 1.00 0.00 C ATOM 1512 OD1 ASP A 98 -2.351 16.509 -3.165 1.00 0.00 O ATOM 1513 OD2 ASP A 98 -1.760 18.273 -4.250 1.00 0.00 O ATOM 0 H ASP A 98 1.525 15.924 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.764 14.486 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.193 15.976 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.480 17.216 -4.556 1.00 0.00 H new ATOM 1518 N GLU A 99 -1.349 16.963 -7.012 1.00 0.00 N ATOM 1519 CA GLU A 99 -2.404 17.490 -7.924 1.00 0.00 C ATOM 1520 C GLU A 99 -2.844 16.389 -8.891 1.00 0.00 C ATOM 1521 O GLU A 99 -4.021 16.154 -9.082 1.00 0.00 O ATOM 1522 CB GLU A 99 -1.846 18.674 -8.718 1.00 0.00 C ATOM 1523 CG GLU A 99 -1.470 19.804 -7.757 1.00 0.00 C ATOM 1524 CD GLU A 99 -2.455 20.964 -7.919 1.00 0.00 C ATOM 1525 OE1 GLU A 99 -2.376 21.645 -8.927 1.00 0.00 O ATOM 1526 OE2 GLU A 99 -3.270 21.151 -7.031 1.00 0.00 O ATOM 0 H GLU A 99 -0.461 17.464 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.261 17.817 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.971 18.362 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.587 19.025 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.485 19.441 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -0.455 20.145 -7.960 1.00 0.00 H new ATOM 1533 N GLN A 100 -1.912 15.713 -9.505 1.00 0.00 N ATOM 1534 CA GLN A 100 -2.282 14.630 -10.461 1.00 0.00 C ATOM 1535 C GLN A 100 -2.999 13.505 -9.711 1.00 0.00 C ATOM 1536 O GLN A 100 -3.978 12.959 -10.182 1.00 0.00 O ATOM 1537 CB GLN A 100 -1.016 14.075 -11.119 1.00 0.00 C ATOM 1538 CG GLN A 100 -0.807 14.748 -12.477 1.00 0.00 C ATOM 1539 CD GLN A 100 -1.054 16.253 -12.345 1.00 0.00 C ATOM 1540 OE1 GLN A 100 -0.941 16.806 -11.270 1.00 0.00 O ATOM 1541 NE2 GLN A 100 -1.390 16.941 -13.401 1.00 0.00 N ATOM 0 H GLN A 100 -0.910 15.863 -9.386 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.944 15.035 -11.226 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.153 14.252 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.103 12.996 -11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.207 14.565 -12.833 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.486 14.321 -13.215 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.485 16.476 -14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.558 17.944 -13.324 1.00 0.00 H new ATOM 1550 N VAL A 101 -2.521 13.151 -8.550 1.00 0.00 N ATOM 1551 CA VAL A 101 -3.176 12.059 -7.775 1.00 0.00 C ATOM 1552 C VAL A 101 -4.637 12.426 -7.503 1.00 0.00 C ATOM 1553 O VAL A 101 -5.547 11.744 -7.929 1.00 0.00 O ATOM 1554 CB VAL A 101 -2.436 11.863 -6.448 1.00 0.00 C ATOM 1555 CG1 VAL A 101 -3.407 11.343 -5.384 1.00 0.00 C ATOM 1556 CG2 VAL A 101 -1.306 10.850 -6.641 1.00 0.00 C ATOM 0 H VAL A 101 -1.705 13.571 -8.104 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.141 11.133 -8.349 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.023 12.818 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.875 11.205 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.213 12.063 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.825 10.390 -5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.778 10.709 -5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.723 9.898 -6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.610 11.220 -7.394 1.00 0.00 H new ATOM 1566 N GLU A 102 -4.868 13.497 -6.796 1.00 0.00 N ATOM 1567 CA GLU A 102 -6.271 13.904 -6.495 1.00 0.00 C ATOM 1568 C GLU A 102 -7.118 13.819 -7.766 1.00 0.00 C ATOM 1569 O GLU A 102 -8.225 13.317 -7.752 1.00 0.00 O ATOM 1570 CB GLU A 102 -6.282 15.342 -5.973 1.00 0.00 C ATOM 1571 CG GLU A 102 -5.654 15.389 -4.579 1.00 0.00 C ATOM 1572 CD GLU A 102 -6.350 16.461 -3.740 1.00 0.00 C ATOM 1573 OE1 GLU A 102 -7.476 16.229 -3.333 1.00 0.00 O ATOM 1574 OE2 GLU A 102 -5.743 17.496 -3.518 1.00 0.00 O ATOM 0 H GLU A 102 -4.147 14.109 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.686 13.236 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.730 15.990 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.305 15.717 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.746 14.417 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.589 15.607 -4.656 1.00 0.00 H new ATOM 1581 N LYS A 103 -6.612 14.310 -8.863 1.00 0.00 N ATOM 1582 CA LYS A 103 -7.392 14.265 -10.133 1.00 0.00 C ATOM 1583 C LYS A 103 -7.793 12.822 -10.448 1.00 0.00 C ATOM 1584 O LYS A 103 -8.955 12.517 -10.624 1.00 0.00 O ATOM 1585 CB LYS A 103 -6.533 14.814 -11.275 1.00 0.00 C ATOM 1586 CG LYS A 103 -6.506 16.343 -11.205 1.00 0.00 C ATOM 1587 CD LYS A 103 -7.543 16.917 -12.170 1.00 0.00 C ATOM 1588 CE LYS A 103 -7.857 18.363 -11.783 1.00 0.00 C ATOM 1589 NZ LYS A 103 -9.157 18.768 -12.388 1.00 0.00 N ATOM 0 H LYS A 103 -5.691 14.741 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.291 14.871 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.520 14.418 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.936 14.490 -12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.717 16.675 -10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.513 16.712 -11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.166 16.877 -13.192 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.452 16.317 -12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.903 18.459 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.062 19.024 -12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.371 19.751 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.097 18.692 -13.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.912 18.144 -12.038 1.00 0.00 H new ATOM 1603 N LEU A 104 -6.841 11.936 -10.529 1.00 0.00 N ATOM 1604 CA LEU A 104 -7.166 10.514 -10.842 1.00 0.00 C ATOM 1605 C LEU A 104 -8.065 9.930 -9.748 1.00 0.00 C ATOM 1606 O LEU A 104 -8.918 9.106 -10.009 1.00 0.00 O ATOM 1607 CB LEU A 104 -5.871 9.705 -10.924 1.00 0.00 C ATOM 1608 CG LEU A 104 -4.930 10.352 -11.941 1.00 0.00 C ATOM 1609 CD1 LEU A 104 -3.601 9.595 -11.961 1.00 0.00 C ATOM 1610 CD2 LEU A 104 -5.569 10.296 -13.331 1.00 0.00 C ATOM 0 H LEU A 104 -5.850 12.134 -10.392 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.690 10.467 -11.797 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.393 9.663 -9.945 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.089 8.678 -11.216 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.752 11.391 -11.662 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.930 10.056 -12.686 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.146 9.632 -10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.778 8.556 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.900 10.757 -14.058 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.746 9.257 -13.608 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.517 10.835 -13.318 1.00 0.00 H new ATOM 1622 N VAL A 105 -7.878 10.344 -8.526 1.00 0.00 N ATOM 1623 CA VAL A 105 -8.719 9.803 -7.421 1.00 0.00 C ATOM 1624 C VAL A 105 -10.171 10.254 -7.608 1.00 0.00 C ATOM 1625 O VAL A 105 -11.094 9.476 -7.473 1.00 0.00 O ATOM 1626 CB VAL A 105 -8.193 10.317 -6.081 1.00 0.00 C ATOM 1627 CG1 VAL A 105 -9.289 10.201 -5.021 1.00 0.00 C ATOM 1628 CG2 VAL A 105 -6.984 9.480 -5.655 1.00 0.00 C ATOM 0 H VAL A 105 -7.180 11.033 -8.244 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.676 8.714 -7.435 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.898 11.361 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -8.912 10.568 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.152 10.795 -5.323 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.586 9.157 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.607 9.845 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.282 8.436 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.201 9.562 -6.409 1.00 0.00 H new ATOM 1638 N ASN A 106 -10.381 11.504 -7.914 1.00 0.00 N ATOM 1639 CA ASN A 106 -11.773 12.000 -8.104 1.00 0.00 C ATOM 1640 C ASN A 106 -12.419 11.287 -9.293 1.00 0.00 C ATOM 1641 O ASN A 106 -13.465 10.682 -9.173 1.00 0.00 O ATOM 1642 CB ASN A 106 -11.747 13.507 -8.369 1.00 0.00 C ATOM 1643 CG ASN A 106 -11.003 14.214 -7.234 1.00 0.00 C ATOM 1644 OD1 ASN A 106 -11.019 15.426 -7.144 1.00 0.00 O ATOM 1645 ND2 ASN A 106 -10.349 13.503 -6.358 1.00 0.00 N ATOM 0 H ASN A 106 -9.649 12.203 -8.041 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.352 11.797 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.257 13.711 -9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.764 13.891 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.851 13.964 -5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.336 12.486 -6.434 1.00 0.00 H new ATOM 1652 N LEU A 107 -11.806 11.356 -10.443 1.00 0.00 N ATOM 1653 CA LEU A 107 -12.387 10.688 -11.642 1.00 0.00 C ATOM 1654 C LEU A 107 -12.547 9.190 -11.372 1.00 0.00 C ATOM 1655 O LEU A 107 -13.583 8.610 -11.633 1.00 0.00 O ATOM 1656 CB LEU A 107 -11.459 10.894 -12.840 1.00 0.00 C ATOM 1657 CG LEU A 107 -12.107 10.309 -14.095 1.00 0.00 C ATOM 1658 CD1 LEU A 107 -13.064 11.338 -14.703 1.00 0.00 C ATOM 1659 CD2 LEU A 107 -11.019 9.962 -15.114 1.00 0.00 C ATOM 0 H LEU A 107 -10.927 11.847 -10.604 1.00 0.00 H new ATOM 0 HA LEU A 107 -13.364 11.121 -11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -11.261 11.957 -12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.498 10.413 -12.656 1.00 0.00 H new ATOM 0 HG LEU A 107 -12.661 9.408 -13.832 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -13.526 10.921 -15.598 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.838 11.588 -13.978 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -12.510 12.239 -14.967 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.479 9.545 -16.010 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.466 10.864 -15.377 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.336 9.230 -14.682 1.00 0.00 H new ATOM 1671 N ALA A 108 -11.531 8.558 -10.854 1.00 0.00 N ATOM 1672 CA ALA A 108 -11.627 7.098 -10.571 1.00 0.00 C ATOM 1673 C ALA A 108 -12.927 6.806 -9.819 1.00 0.00 C ATOM 1674 O ALA A 108 -13.640 5.872 -10.132 1.00 0.00 O ATOM 1675 CB ALA A 108 -10.436 6.664 -9.714 1.00 0.00 C ATOM 0 H ALA A 108 -10.638 8.989 -10.614 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.619 6.547 -11.511 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.507 5.596 -9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -9.509 6.870 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -10.443 7.217 -8.775 1.00 0.00 H new ATOM 1681 N GLU A 109 -13.244 7.596 -8.829 1.00 0.00 N ATOM 1682 CA GLU A 109 -14.498 7.361 -8.058 1.00 0.00 C ATOM 1683 C GLU A 109 -15.696 7.875 -8.859 1.00 0.00 C ATOM 1684 O GLU A 109 -16.810 7.419 -8.690 1.00 0.00 O ATOM 1685 CB GLU A 109 -14.420 8.104 -6.721 1.00 0.00 C ATOM 1686 CG GLU A 109 -15.137 7.293 -5.640 1.00 0.00 C ATOM 1687 CD GLU A 109 -16.480 6.797 -6.178 1.00 0.00 C ATOM 1688 OE1 GLU A 109 -17.447 7.533 -6.070 1.00 0.00 O ATOM 1689 OE2 GLU A 109 -16.520 5.689 -6.687 1.00 0.00 O ATOM 0 H GLU A 109 -12.689 8.394 -8.521 1.00 0.00 H new ATOM 0 HA GLU A 109 -14.617 6.293 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.378 8.261 -6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -14.877 9.089 -6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.520 6.447 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.293 7.908 -4.753 1.00 0.00 H new ATOM 1696 N LYS A 110 -15.479 8.823 -9.729 1.00 0.00 N ATOM 1697 CA LYS A 110 -16.607 9.365 -10.537 1.00 0.00 C ATOM 1698 C LYS A 110 -17.185 8.258 -11.421 1.00 0.00 C ATOM 1699 O LYS A 110 -18.365 8.237 -11.711 1.00 0.00 O ATOM 1700 CB LYS A 110 -16.103 10.509 -11.419 1.00 0.00 C ATOM 1701 CG LYS A 110 -17.282 11.394 -11.828 1.00 0.00 C ATOM 1702 CD LYS A 110 -16.875 12.282 -13.005 1.00 0.00 C ATOM 1703 CE LYS A 110 -18.090 13.075 -13.488 1.00 0.00 C ATOM 1704 NZ LYS A 110 -19.193 12.943 -12.494 1.00 0.00 N ATOM 0 H LYS A 110 -14.569 9.245 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.383 9.737 -9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -15.361 11.099 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -15.610 10.109 -12.305 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -18.135 10.775 -12.105 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.596 12.011 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.079 12.963 -12.703 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -16.480 11.671 -13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.825 14.124 -13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -18.416 12.706 -14.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -19.983 13.561 -12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -19.519 11.956 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -18.847 13.219 -11.553 1.00 0.00 H new ATOM 1718 N PHE A 111 -16.367 7.338 -11.854 1.00 0.00 N ATOM 1719 CA PHE A 111 -16.879 6.238 -12.719 1.00 0.00 C ATOM 1720 C PHE A 111 -17.113 4.986 -11.872 1.00 0.00 C ATOM 1721 O PHE A 111 -18.232 4.657 -11.530 1.00 0.00 O ATOM 1722 CB PHE A 111 -15.856 5.931 -13.814 1.00 0.00 C ATOM 1723 CG PHE A 111 -16.219 6.691 -15.065 1.00 0.00 C ATOM 1724 CD1 PHE A 111 -17.383 6.360 -15.770 1.00 0.00 C ATOM 1725 CD2 PHE A 111 -15.395 7.727 -15.520 1.00 0.00 C ATOM 1726 CE1 PHE A 111 -17.722 7.065 -16.930 1.00 0.00 C ATOM 1727 CE2 PHE A 111 -15.735 8.432 -16.680 1.00 0.00 C ATOM 1728 CZ PHE A 111 -16.898 8.102 -17.385 1.00 0.00 C ATOM 0 H PHE A 111 -15.369 7.300 -11.647 1.00 0.00 H new ATOM 0 HA PHE A 111 -17.819 6.545 -13.177 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -14.856 6.211 -13.482 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -15.836 4.861 -14.018 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -18.019 5.561 -15.418 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -14.497 7.982 -14.976 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -18.619 6.810 -17.474 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -15.099 9.231 -17.031 1.00 0.00 H new ATOM 0 HZ PHE A 111 -17.160 8.647 -18.280 1.00 0.00 H new ATOM 1738 N ASP A 112 -16.068 4.283 -11.530 1.00 0.00 N ATOM 1739 CA ASP A 112 -16.239 3.054 -10.705 1.00 0.00 C ATOM 1740 C ASP A 112 -14.944 2.236 -10.721 1.00 0.00 C ATOM 1741 O ASP A 112 -14.966 1.021 -10.722 1.00 0.00 O ATOM 1742 CB ASP A 112 -17.382 2.212 -11.275 1.00 0.00 C ATOM 1743 CG ASP A 112 -18.624 2.373 -10.396 1.00 0.00 C ATOM 1744 OD1 ASP A 112 -18.483 2.296 -9.187 1.00 0.00 O ATOM 1745 OD2 ASP A 112 -19.693 2.574 -10.947 1.00 0.00 O ATOM 0 H ASP A 112 -15.106 4.506 -11.785 1.00 0.00 H new ATOM 0 HA ASP A 112 -16.472 3.338 -9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.603 2.524 -12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -17.088 1.163 -11.319 1.00 0.00 H new ATOM 1750 N ILE A 113 -13.815 2.890 -10.728 1.00 0.00 N ATOM 1751 CA ILE A 113 -12.524 2.143 -10.738 1.00 0.00 C ATOM 1752 C ILE A 113 -11.734 2.480 -9.472 1.00 0.00 C ATOM 1753 O ILE A 113 -11.662 3.620 -9.057 1.00 0.00 O ATOM 1754 CB ILE A 113 -11.710 2.535 -11.972 1.00 0.00 C ATOM 1755 CG1 ILE A 113 -11.505 4.051 -11.990 1.00 0.00 C ATOM 1756 CG2 ILE A 113 -12.460 2.109 -13.235 1.00 0.00 C ATOM 1757 CD1 ILE A 113 -10.698 4.440 -13.230 1.00 0.00 C ATOM 0 H ILE A 113 -13.730 3.906 -10.727 1.00 0.00 H new ATOM 0 HA ILE A 113 -12.725 1.072 -10.768 1.00 0.00 H new ATOM 0 HB ILE A 113 -10.741 2.038 -11.939 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -12.469 4.559 -11.996 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -10.982 4.369 -11.088 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -11.880 2.388 -14.114 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -12.606 1.029 -13.225 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -13.430 2.606 -13.267 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -10.551 5.520 -13.244 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -9.729 3.942 -13.204 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -11.239 4.135 -14.126 1.00 0.00 H new ATOM 1769 N ILE A 114 -11.141 1.495 -8.852 1.00 0.00 N ATOM 1770 CA ILE A 114 -10.359 1.758 -7.611 1.00 0.00 C ATOM 1771 C ILE A 114 -8.926 2.150 -7.979 1.00 0.00 C ATOM 1772 O ILE A 114 -8.170 1.355 -8.503 1.00 0.00 O ATOM 1773 CB ILE A 114 -10.338 0.494 -6.749 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -9.155 0.556 -5.779 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.195 -0.735 -7.646 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -9.185 1.885 -5.022 1.00 0.00 C ATOM 0 H ILE A 114 -11.165 0.520 -9.152 1.00 0.00 H new ATOM 0 HA ILE A 114 -10.823 2.572 -7.055 1.00 0.00 H new ATOM 0 HB ILE A 114 -11.268 0.426 -6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -9.203 -0.276 -5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -8.217 0.458 -6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -10.180 -1.635 -7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -11.037 -0.781 -8.337 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.266 -0.667 -8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -8.343 1.929 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.116 2.710 -5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -10.117 1.964 -4.463 1.00 0.00 H new ATOM 1788 N TYR A 115 -8.547 3.368 -7.707 1.00 0.00 N ATOM 1789 CA TYR A 115 -7.164 3.813 -8.038 1.00 0.00 C ATOM 1790 C TYR A 115 -6.300 3.766 -6.774 1.00 0.00 C ATOM 1791 O TYR A 115 -6.382 4.629 -5.923 1.00 0.00 O ATOM 1792 CB TYR A 115 -7.205 5.244 -8.578 1.00 0.00 C ATOM 1793 CG TYR A 115 -5.852 5.892 -8.406 1.00 0.00 C ATOM 1794 CD1 TYR A 115 -4.687 5.163 -8.671 1.00 0.00 C ATOM 1795 CD2 TYR A 115 -5.765 7.223 -7.983 1.00 0.00 C ATOM 1796 CE1 TYR A 115 -3.433 5.765 -8.513 1.00 0.00 C ATOM 1797 CE2 TYR A 115 -4.511 7.826 -7.824 1.00 0.00 C ATOM 1798 CZ TYR A 115 -3.345 7.097 -8.089 1.00 0.00 C ATOM 1799 OH TYR A 115 -2.110 7.692 -7.932 1.00 0.00 O ATOM 0 H TYR A 115 -9.137 4.076 -7.269 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.738 3.153 -8.794 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.484 5.237 -9.632 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.965 5.820 -8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.755 4.136 -8.997 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.664 7.785 -7.779 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.534 5.203 -8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -4.443 8.853 -7.497 1.00 0.00 H new ATOM 0 HH TYR A 115 -1.887 7.736 -6.979 1.00 0.00 H new ATOM 1809 N ASP A 116 -5.474 2.764 -6.645 1.00 0.00 N ATOM 1810 CA ASP A 116 -4.610 2.663 -5.435 1.00 0.00 C ATOM 1811 C ASP A 116 -3.329 1.902 -5.783 1.00 0.00 C ATOM 1812 O ASP A 116 -3.252 0.698 -5.644 1.00 0.00 O ATOM 1813 CB ASP A 116 -5.362 1.916 -4.331 1.00 0.00 C ATOM 1814 CG ASP A 116 -4.710 2.210 -2.979 1.00 0.00 C ATOM 1815 OD1 ASP A 116 -4.395 3.364 -2.735 1.00 0.00 O ATOM 1816 OD2 ASP A 116 -4.536 1.279 -2.212 1.00 0.00 O ATOM 0 H ASP A 116 -5.360 2.012 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.355 3.664 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.408 2.223 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.348 0.844 -4.528 1.00 0.00 H new ATOM 1821 N GLY A 117 -2.323 2.597 -6.237 1.00 0.00 N ATOM 1822 CA GLY A 117 -1.047 1.917 -6.596 1.00 0.00 C ATOM 1823 C GLY A 117 -0.209 2.844 -7.476 1.00 0.00 C ATOM 1824 O GLY A 117 -0.091 2.644 -8.669 1.00 0.00 O ATOM 0 H GLY A 117 -2.330 3.608 -6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -0.494 1.656 -5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -1.254 0.986 -7.123 1.00 0.00 H new ATOM 1828 N TRP A 118 0.374 3.860 -6.900 1.00 0.00 N ATOM 1829 CA TRP A 118 1.200 4.801 -7.707 1.00 0.00 C ATOM 1830 C TRP A 118 2.680 4.603 -7.368 1.00 0.00 C ATOM 1831 O TRP A 118 3.069 4.607 -6.218 1.00 0.00 O ATOM 1832 CB TRP A 118 0.780 6.241 -7.393 1.00 0.00 C ATOM 1833 CG TRP A 118 1.589 6.768 -6.249 1.00 0.00 C ATOM 1834 CD1 TRP A 118 1.289 6.596 -4.941 1.00 0.00 C ATOM 1835 CD2 TRP A 118 2.820 7.546 -6.289 1.00 0.00 C ATOM 1836 NE1 TRP A 118 2.258 7.219 -4.175 1.00 0.00 N ATOM 1837 CE2 TRP A 118 3.223 7.819 -4.960 1.00 0.00 C ATOM 1838 CE3 TRP A 118 3.617 8.037 -7.338 1.00 0.00 C ATOM 1839 CZ2 TRP A 118 4.377 8.552 -4.683 1.00 0.00 C ATOM 1840 CZ3 TRP A 118 4.779 8.776 -7.063 1.00 0.00 C ATOM 1841 CH2 TRP A 118 5.158 9.033 -5.738 1.00 0.00 C ATOM 0 H TRP A 118 0.314 4.079 -5.906 1.00 0.00 H new ATOM 0 HA TRP A 118 1.049 4.605 -8.769 1.00 0.00 H new ATOM 0 HB2 TRP A 118 0.922 6.871 -8.271 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -0.281 6.274 -7.146 1.00 0.00 H new ATOM 0 HD1 TRP A 118 0.433 6.060 -4.558 1.00 0.00 H new ATOM 0 HE1 TRP A 118 2.260 7.233 -3.155 1.00 0.00 H new ATOM 0 HE3 TRP A 118 3.334 7.845 -8.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 4.665 8.747 -3.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 5.384 9.148 -7.877 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.053 9.602 -5.532 1.00 0.00 H new ATOM 1852 N GLY A 119 3.508 4.433 -8.362 1.00 0.00 N ATOM 1853 CA GLY A 119 4.961 4.237 -8.097 1.00 0.00 C ATOM 1854 C GLY A 119 5.778 4.926 -9.190 1.00 0.00 C ATOM 1855 O GLY A 119 5.402 4.937 -10.346 1.00 0.00 O ATOM 0 H GLY A 119 3.241 4.421 -9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 119 5.222 4.647 -7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.196 3.173 -8.069 1.00 0.00 H new ATOM 1859 N THR A 120 6.893 5.504 -8.836 1.00 0.00 N ATOM 1860 CA THR A 120 7.732 6.193 -9.857 1.00 0.00 C ATOM 1861 C THR A 120 8.892 5.284 -10.267 1.00 0.00 C ATOM 1862 O THR A 120 9.052 4.195 -9.753 1.00 0.00 O ATOM 1863 CB THR A 120 8.289 7.493 -9.271 1.00 0.00 C ATOM 1864 OG1 THR A 120 9.280 8.016 -10.144 1.00 0.00 O ATOM 1865 CG2 THR A 120 8.910 7.216 -7.901 1.00 0.00 C ATOM 0 H THR A 120 7.259 5.529 -7.884 1.00 0.00 H new ATOM 0 HA THR A 120 7.121 6.420 -10.731 1.00 0.00 H new ATOM 0 HB THR A 120 7.481 8.216 -9.160 1.00 0.00 H new ATOM 0 HG1 THR A 120 10.135 8.078 -9.669 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.306 8.143 -7.487 1.00 0.00 H new ATOM 0 HG22 THR A 120 8.149 6.815 -7.231 1.00 0.00 H new ATOM 0 HG23 THR A 120 9.718 6.492 -8.007 1.00 0.00 H new ATOM 1873 N TYR A 121 9.702 5.724 -11.190 1.00 0.00 N ATOM 1874 CA TYR A 121 10.852 4.890 -11.634 1.00 0.00 C ATOM 1875 C TYR A 121 12.109 5.761 -11.710 1.00 0.00 C ATOM 1876 O TYR A 121 12.099 6.833 -12.282 1.00 0.00 O ATOM 1877 CB TYR A 121 10.543 4.295 -13.013 1.00 0.00 C ATOM 1878 CG TYR A 121 11.823 4.116 -13.792 1.00 0.00 C ATOM 1879 CD1 TYR A 121 12.810 3.240 -13.326 1.00 0.00 C ATOM 1880 CD2 TYR A 121 12.024 4.827 -14.981 1.00 0.00 C ATOM 1881 CE1 TYR A 121 13.998 3.076 -14.048 1.00 0.00 C ATOM 1882 CE2 TYR A 121 13.212 4.663 -15.703 1.00 0.00 C ATOM 1883 CZ TYR A 121 14.199 3.788 -15.237 1.00 0.00 C ATOM 1884 OH TYR A 121 15.371 3.627 -15.948 1.00 0.00 O ATOM 0 H TYR A 121 9.616 6.627 -11.656 1.00 0.00 H new ATOM 0 HA TYR A 121 11.019 4.081 -10.923 1.00 0.00 H new ATOM 0 HB2 TYR A 121 10.038 3.336 -12.900 1.00 0.00 H new ATOM 0 HB3 TYR A 121 9.864 4.950 -13.558 1.00 0.00 H new ATOM 0 HD1 TYR A 121 12.655 2.690 -12.409 1.00 0.00 H new ATOM 0 HD2 TYR A 121 11.262 5.502 -15.341 1.00 0.00 H new ATOM 0 HE1 TYR A 121 14.760 2.400 -13.688 1.00 0.00 H new ATOM 0 HE2 TYR A 121 13.367 5.212 -16.620 1.00 0.00 H new ATOM 0 HH TYR A 121 15.349 4.193 -16.748 1.00 0.00 H new