USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 702 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 55 GLN : amide:sc= 0.25 X(o=0.53,f=0.086) USER MOD Set 1.2: A 98 SER OG : rot -170:sc= 0.285 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= -1.04 USER MOD Set 2.2: A 64 GLN : amide:sc= 0.267 K(o=-0.78,f=-4.6!) USER MOD Set 3.1: A 23 SER OG : rot -149:sc= 0.991 USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -0.857 F(o=-1.3,f=0.13) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= 0 (180deg=-0.0311) USER MOD Single : A 19 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.31) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.715 X(o=-0.72,f=-1) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc=0.000513 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 56:sc= 0.123 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -68:sc=-0.00485 USER MOD Single : A 73 SER OG : rot -130:sc= 0.206 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 117:sc= -0.421 USER MOD Single : A 87 SER OG : rot 16:sc= 0.253 USER MOD Single : A 100 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0334) USER MOD Single : A 102 MET CE :methyl 179:sc= -0.703 (180deg=-0.722) USER MOD ----------------------------------------------------------------- ATOM 200 C MET A 15 -7.694 -10.140 13.570 1.00 0.00 C ATOM 201 CA MET A 15 -6.345 -9.478 13.251 1.00 0.00 C ATOM 202 CB MET A 15 -5.892 -8.559 14.417 1.00 0.00 C ATOM 203 CE MET A 15 -2.048 -7.603 15.749 1.00 0.00 C ATOM 204 CG MET A 15 -4.395 -8.231 14.387 1.00 0.00 C ATOM 214 N MET A 15 -6.367 -8.744 11.966 1.00 0.00 N ATOM 215 O MET A 15 -7.727 -11.266 14.060 1.00 0.00 O ATOM 216 SD MET A 15 -3.827 -7.405 15.888 1.00 0.00 S ATOM 0 HA MET A 15 -5.613 -10.278 13.141 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.461 -7.630 14.380 1.00 0.00 H new ATOM 0 HB3 MET A 15 -6.132 -9.042 15.364 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.829 -9.152 14.249 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.185 -7.596 13.527 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.562 -7.141 16.608 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.801 -8.664 15.720 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.699 -7.124 14.834 1.00 0.00 H new ATOM 217 C GLU A 16 -10.499 -11.101 12.501 1.00 0.00 C ATOM 218 CA GLU A 16 -10.169 -9.942 13.462 1.00 0.00 C ATOM 219 CB GLU A 16 -11.171 -8.773 13.316 1.00 0.00 C ATOM 220 CD GLU A 16 -11.901 -6.474 14.190 1.00 0.00 C ATOM 221 CG GLU A 16 -10.972 -7.676 14.378 1.00 0.00 C ATOM 228 N GLU A 16 -8.793 -9.443 13.248 1.00 0.00 N ATOM 229 O GLU A 16 -11.163 -12.086 12.889 1.00 0.00 O ATOM 230 OE1 GLU A 16 -11.473 -5.456 13.611 1.00 0.00 O ATOM 231 OE2 GLU A 16 -13.070 -6.543 14.632 1.00 0.00 O ATOM 0 H GLU A 16 -8.758 -8.513 12.830 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.249 -10.342 14.473 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.067 -8.334 12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.187 -9.161 13.388 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.138 -8.103 15.367 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.937 -7.335 14.348 1.00 0.00 H new ATOM 232 C MET A 17 -9.276 -13.300 10.764 1.00 0.00 C ATOM 233 CA MET A 17 -10.081 -12.082 10.271 1.00 0.00 C ATOM 234 CB MET A 17 -9.581 -11.643 8.865 1.00 0.00 C ATOM 235 CE MET A 17 -12.246 -12.358 7.110 1.00 0.00 C ATOM 236 CG MET A 17 -10.397 -10.518 8.208 1.00 0.00 C ATOM 246 N MET A 17 -9.991 -10.995 11.259 1.00 0.00 N ATOM 247 O MET A 17 -9.738 -14.414 10.644 1.00 0.00 O ATOM 248 SD MET A 17 -12.171 -10.868 8.110 1.00 0.00 S ATOM 0 H MET A 17 -9.512 -10.162 10.916 1.00 0.00 H new ATOM 0 HA MET A 17 -11.133 -12.350 10.169 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.544 -11.318 8.950 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.590 -12.511 8.205 1.00 0.00 H new ATOM 0 HG2 MET A 17 -10.248 -9.597 8.771 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.014 -10.343 7.203 1.00 0.00 H new ATOM 0 HE1 MET A 17 -13.288 -12.611 6.912 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.728 -12.189 6.166 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.768 -13.179 7.644 1.00 0.00 H new ATOM 249 C LEU A 18 -7.824 -14.826 13.123 1.00 0.00 C ATOM 250 CA LEU A 18 -7.197 -14.099 11.915 1.00 0.00 C ATOM 251 CB LEU A 18 -5.824 -13.488 12.304 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.758 -12.109 11.653 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.608 -13.929 10.088 1.00 0.00 C ATOM 254 CG LEU A 18 -4.998 -12.865 11.134 1.00 0.00 C ATOM 266 N LEU A 18 -8.101 -13.047 11.384 1.00 0.00 N ATOM 267 O LEU A 18 -7.550 -16.015 13.348 1.00 0.00 O ATOM 0 H LEU A 18 -7.749 -12.101 11.532 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.045 -14.835 11.126 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.991 -12.717 13.056 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.222 -14.266 12.774 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.640 -12.137 10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.209 -11.690 10.810 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.074 -11.304 12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.114 -12.798 12.199 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.034 -13.460 9.289 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.004 -14.702 10.563 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.510 -14.378 9.672 1.00 0.00 H new ATOM 268 C GLN A 19 -10.395 -15.730 14.551 1.00 0.00 C ATOM 269 CA GLN A 19 -9.427 -14.637 15.034 1.00 0.00 C ATOM 270 CB GLN A 19 -10.218 -13.507 15.760 1.00 0.00 C ATOM 271 CD GLN A 19 -10.128 -11.291 17.081 1.00 0.00 C ATOM 272 CG GLN A 19 -9.340 -12.463 16.489 1.00 0.00 C ATOM 281 N GLN A 19 -8.656 -14.088 13.895 1.00 0.00 N ATOM 282 NE2 GLN A 19 -9.521 -10.114 17.122 1.00 0.00 N ATOM 283 O GLN A 19 -10.459 -16.823 15.130 1.00 0.00 O ATOM 284 OE1 GLN A 19 -11.278 -11.440 17.486 1.00 0.00 O ATOM 0 H GLN A 19 -8.811 -13.091 13.744 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.722 -15.077 15.740 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.839 -12.990 15.028 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.892 -13.963 16.485 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.792 -12.960 17.289 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.600 -12.074 15.790 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.565 -10.021 16.778 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.010 -9.301 17.497 1.00 0.00 H new ATOM 285 C ARG A 20 -11.503 -17.271 11.800 1.00 0.00 C ATOM 286 CA ARG A 20 -12.130 -16.343 12.875 1.00 0.00 C ATOM 287 CB ARG A 20 -13.314 -15.522 12.290 1.00 0.00 C ATOM 288 CD ARG A 20 -14.025 -13.564 10.774 1.00 0.00 C ATOM 289 CG ARG A 20 -12.950 -14.620 11.083 1.00 0.00 C ATOM 290 CZ ARG A 20 -16.524 -13.495 10.627 1.00 0.00 C ATOM 304 N ARG A 20 -11.134 -15.418 13.468 1.00 0.00 N ATOM 305 NE ARG A 20 -15.355 -14.157 10.542 1.00 0.00 N ATOM 306 NH1 ARG A 20 -16.557 -12.197 10.894 1.00 0.00 N ATOM 307 NH2 ARG A 20 -17.660 -14.144 10.436 1.00 0.00 N ATOM 308 O ARG A 20 -12.153 -18.217 11.342 1.00 0.00 O ATOM 0 H ARG A 20 -11.061 -14.525 12.980 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.501 -16.997 13.664 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.100 -16.213 11.985 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.729 -14.896 13.080 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.003 -14.118 11.284 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.799 -15.245 10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.085 -12.860 11.604 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -13.727 -12.995 9.894 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.392 -15.147 10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.687 -11.684 11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.452 -11.711 10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.648 -15.142 10.225 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.548 -13.647 10.499 1.00 0.00 H new ATOM 309 C GLU A 21 -8.868 -19.021 11.139 1.00 0.00 C ATOM 310 CA GLU A 21 -9.478 -17.805 10.434 1.00 0.00 C ATOM 311 CB GLU A 21 -8.362 -16.942 9.769 1.00 0.00 C ATOM 312 CD GLU A 21 -8.193 -18.150 7.503 1.00 0.00 C ATOM 313 CG GLU A 21 -7.455 -17.659 8.752 1.00 0.00 C ATOM 320 N GLU A 21 -10.241 -16.991 11.411 1.00 0.00 N ATOM 321 O GLU A 21 -9.316 -20.158 10.941 1.00 0.00 O ATOM 322 OE1 GLU A 21 -8.381 -17.353 6.560 1.00 0.00 O ATOM 323 OE2 GLU A 21 -8.597 -19.332 7.456 1.00 0.00 O ATOM 0 H GLU A 21 -9.718 -16.191 11.766 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.154 -18.153 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.836 -16.098 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.732 -16.531 10.558 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.658 -16.980 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.980 -18.510 9.240 1.00 0.00 H new ATOM 324 C TYR A 22 -7.811 -20.089 14.036 1.00 0.00 C ATOM 325 CA TYR A 22 -7.120 -19.807 12.697 1.00 0.00 C ATOM 326 CB TYR A 22 -5.632 -19.406 12.899 1.00 0.00 C ATOM 327 CD1 TYR A 22 -4.255 -17.724 11.551 1.00 0.00 C ATOM 328 CD2 TYR A 22 -4.881 -19.767 10.482 1.00 0.00 C ATOM 329 CE1 TYR A 22 -3.608 -17.321 10.401 1.00 0.00 C ATOM 330 CE2 TYR A 22 -4.234 -19.367 9.331 1.00 0.00 C ATOM 331 CG TYR A 22 -4.906 -18.955 11.619 1.00 0.00 C ATOM 332 CZ TYR A 22 -3.600 -18.145 9.293 1.00 0.00 C ATOM 342 N TYR A 22 -7.854 -18.759 11.986 1.00 0.00 N ATOM 343 O TYR A 22 -8.710 -20.932 14.108 1.00 0.00 O ATOM 344 OH TYR A 22 -2.955 -17.744 8.138 1.00 0.00 O ATOM 0 H TYR A 22 -7.526 -17.815 12.192 1.00 0.00 H new ATOM 0 HA TYR A 22 -7.126 -20.719 12.100 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.584 -18.600 13.631 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.096 -20.255 13.324 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.257 -17.074 12.414 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.378 -20.726 10.505 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.109 -16.364 10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.225 -20.010 8.463 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.044 -18.441 7.455 1.00 0.00 H new ATOM 345 C SER A 23 -7.685 -18.267 17.280 1.00 0.00 C ATOM 346 CA SER A 23 -7.926 -19.528 16.445 1.00 0.00 C ATOM 347 CB SER A 23 -7.215 -20.740 17.112 1.00 0.00 C ATOM 353 N SER A 23 -7.440 -19.326 15.076 1.00 0.00 N ATOM 354 O SER A 23 -6.882 -17.402 16.905 1.00 0.00 O ATOM 355 OG SER A 23 -7.512 -21.961 16.442 1.00 0.00 O ATOM 0 H SER A 23 -6.789 -18.546 14.987 1.00 0.00 H new ATOM 0 HA SER A 23 -8.995 -19.734 16.399 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.137 -20.576 17.109 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.523 -20.813 18.155 1.00 0.00 H new ATOM 0 HG SER A 23 -7.507 -22.698 17.088 1.00 0.00 H new ATOM 356 C THR A 24 -7.521 -17.961 20.652 1.00 0.00 C ATOM 357 CA THR A 24 -8.126 -17.205 19.463 1.00 0.00 C ATOM 358 CB THR A 24 -9.422 -16.461 19.911 1.00 0.00 C ATOM 359 CG2 THR A 24 -10.008 -15.601 18.782 1.00 0.00 C ATOM 367 N THR A 24 -8.409 -18.169 18.397 1.00 0.00 N ATOM 368 O THR A 24 -7.651 -19.192 20.745 1.00 0.00 O ATOM 369 OG1 THR A 24 -10.414 -17.413 20.341 1.00 0.00 O ATOM 0 H THR A 24 -9.216 -18.762 18.589 1.00 0.00 H new ATOM 0 HA THR A 24 -7.427 -16.456 19.091 1.00 0.00 H new ATOM 0 HB THR A 24 -9.149 -15.803 20.736 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.224 -16.938 20.622 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.909 -15.100 19.136 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.275 -14.855 18.475 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.256 -16.237 17.932 1.00 0.00 H new ATOM 370 C LEU A 25 -7.267 -17.693 23.915 1.00 0.00 C ATOM 371 CA LEU A 25 -6.259 -17.809 22.759 1.00 0.00 C ATOM 372 CB LEU A 25 -4.933 -17.074 23.086 1.00 0.00 C ATOM 373 CD1 LEU A 25 -3.572 -19.179 23.441 1.00 0.00 C ATOM 374 CD2 LEU A 25 -2.699 -16.962 24.306 1.00 0.00 C ATOM 375 CG LEU A 25 -3.954 -17.817 24.030 1.00 0.00 C ATOM 387 N LEU A 25 -6.848 -17.234 21.540 1.00 0.00 N ATOM 388 O LEU A 25 -7.754 -16.590 24.195 1.00 0.00 O ATOM 0 H LEU A 25 -6.692 -16.231 21.441 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.034 -18.865 22.609 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.415 -16.868 22.149 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.177 -16.111 23.534 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.457 -17.986 24.982 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.884 -19.687 24.116 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.469 -19.785 23.313 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.091 -19.035 22.474 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.028 -17.505 24.971 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.188 -16.752 23.366 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.994 -16.024 24.776 1.00 0.00 H new ATOM 389 C ARG A 26 -7.892 -18.669 27.039 1.00 0.00 C ATOM 390 CA ARG A 26 -8.589 -18.838 25.675 1.00 0.00 C ATOM 391 CB ARG A 26 -9.456 -20.138 25.668 1.00 0.00 C ATOM 392 CD ARG A 26 -9.639 -22.670 26.154 1.00 0.00 C ATOM 393 CG ARG A 26 -8.708 -21.452 26.003 1.00 0.00 C ATOM 394 CZ ARG A 26 -11.054 -23.486 28.052 1.00 0.00 C ATOM 408 N ARG A 26 -7.603 -18.828 24.570 1.00 0.00 N ATOM 409 NE ARG A 26 -10.572 -22.501 27.280 1.00 0.00 N ATOM 410 NH1 ARG A 26 -10.680 -24.741 27.879 1.00 0.00 N ATOM 411 NH2 ARG A 26 -11.904 -23.202 29.015 1.00 0.00 N ATOM 412 O ARG A 26 -8.366 -17.922 27.899 1.00 0.00 O ATOM 0 H ARG A 26 -7.209 -19.744 24.354 1.00 0.00 H new ATOM 0 HA ARG A 26 -9.256 -17.991 25.516 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.269 -20.013 26.383 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.911 -20.243 24.683 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.980 -21.656 25.218 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.148 -21.316 26.928 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.202 -22.815 25.232 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.042 -23.569 26.307 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.879 -21.552 27.492 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.011 -24.977 27.146 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.060 -25.474 28.478 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.193 -22.237 29.172 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.274 -23.947 29.605 1.00 0.00 H new ATOM 413 C SER A 27 -4.554 -19.668 28.265 1.00 0.00 C ATOM 414 CA SER A 27 -6.045 -19.457 28.506 1.00 0.00 C ATOM 415 CB SER A 27 -6.597 -20.636 29.353 1.00 0.00 C ATOM 421 N SER A 27 -6.752 -19.365 27.218 1.00 0.00 N ATOM 422 O SER A 27 -4.142 -20.110 27.186 1.00 0.00 O ATOM 423 OG SER A 27 -7.995 -20.519 29.587 1.00 0.00 O ATOM 0 H SER A 27 -6.295 -19.882 26.467 1.00 0.00 H new ATOM 0 HA SER A 27 -6.203 -18.526 29.050 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.393 -21.576 28.841 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.072 -20.673 30.308 1.00 0.00 H new ATOM 0 HG SER A 27 -8.302 -21.281 30.121 1.00 0.00 H new ATOM 424 C VAL A 28 -1.920 -20.099 30.693 1.00 0.00 C ATOM 425 CA VAL A 28 -2.304 -19.592 29.303 1.00 0.00 C ATOM 426 CB VAL A 28 -1.468 -18.305 28.965 1.00 0.00 C ATOM 427 CG1 VAL A 28 0.057 -18.565 29.010 1.00 0.00 C ATOM 428 CG2 VAL A 28 -1.875 -17.729 27.605 1.00 0.00 C ATOM 438 N VAL A 28 -3.750 -19.332 29.279 1.00 0.00 N ATOM 439 O VAL A 28 -2.114 -19.391 31.688 1.00 0.00 O ATOM 0 H VAL A 28 -4.089 -18.865 30.120 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.078 -20.338 28.541 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.694 -17.571 29.738 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.590 -17.645 28.769 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.340 -18.898 30.009 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.316 -19.335 28.284 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.282 -16.839 27.395 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.701 -18.473 26.828 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.932 -17.464 27.624 1.00 0.00 H new ATOM 440 C GLN A 29 0.616 -22.122 31.857 1.00 0.00 C ATOM 441 CA GLN A 29 -0.901 -21.933 31.988 1.00 0.00 C ATOM 442 CB GLN A 29 -1.614 -23.292 32.267 1.00 0.00 C ATOM 443 CD GLN A 29 -2.095 -25.697 31.452 1.00 0.00 C ATOM 444 CG GLN A 29 -1.430 -24.351 31.160 1.00 0.00 C ATOM 453 N GLN A 29 -1.400 -21.325 30.751 1.00 0.00 N ATOM 454 NE2 GLN A 29 -1.569 -26.769 30.870 1.00 0.00 N ATOM 455 O GLN A 29 1.102 -22.680 30.871 1.00 0.00 O ATOM 456 OE1 GLN A 29 -3.096 -25.773 32.163 1.00 0.00 O ATOM 0 H GLN A 29 -1.312 -21.930 29.935 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.116 -21.280 32.834 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.239 -23.698 33.206 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.680 -23.108 32.402 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.832 -23.956 30.227 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.364 -24.513 31.004 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.738 -26.676 30.286 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.996 -27.685 31.008 1.00 0.00 H new ATOM 457 C TYR A 30 3.016 -23.211 33.633 1.00 0.00 C ATOM 458 CA TYR A 30 2.808 -21.868 32.909 1.00 0.00 C ATOM 459 CB TYR A 30 3.561 -20.717 33.632 1.00 0.00 C ATOM 460 CD1 TYR A 30 5.581 -21.469 35.024 1.00 0.00 C ATOM 461 CD2 TYR A 30 5.956 -20.876 32.745 1.00 0.00 C ATOM 462 CE1 TYR A 30 6.916 -21.781 35.162 1.00 0.00 C ATOM 463 CE2 TYR A 30 7.296 -21.180 32.887 1.00 0.00 C ATOM 464 CG TYR A 30 5.067 -21.008 33.809 1.00 0.00 C ATOM 465 CZ TYR A 30 7.769 -21.632 34.096 1.00 0.00 C ATOM 475 N TYR A 30 1.369 -21.611 32.824 1.00 0.00 N ATOM 476 O TYR A 30 2.709 -23.330 34.824 1.00 0.00 O ATOM 477 OH TYR A 30 9.099 -21.944 34.240 1.00 0.00 O ATOM 0 H TYR A 30 1.007 -21.012 33.566 1.00 0.00 H new ATOM 0 HA TYR A 30 3.224 -21.919 31.903 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.438 -19.795 33.064 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.110 -20.552 34.610 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.920 -21.583 35.870 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.590 -20.529 31.790 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.291 -22.143 36.108 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.970 -21.063 32.051 1.00 0.00 H new ATOM 0 HH TYR A 30 9.566 -21.784 33.393 1.00 0.00 H new ATOM 478 C ARG A 31 5.273 -25.418 34.070 1.00 0.00 C ATOM 479 CA ARG A 31 3.861 -25.518 33.469 1.00 0.00 C ATOM 480 CB ARG A 31 3.791 -26.638 32.393 1.00 0.00 C ATOM 481 CD ARG A 31 2.369 -28.141 30.881 1.00 0.00 C ATOM 482 CG ARG A 31 2.369 -26.950 31.858 1.00 0.00 C ATOM 483 CZ ARG A 31 0.318 -29.596 30.948 1.00 0.00 C ATOM 497 N ARG A 31 3.495 -24.222 32.897 1.00 0.00 N ATOM 498 NE ARG A 31 1.006 -28.540 30.461 1.00 0.00 N ATOM 499 NH1 ARG A 31 0.798 -30.314 31.957 1.00 0.00 N ATOM 500 NH2 ARG A 31 -0.859 -29.914 30.430 1.00 0.00 N ATOM 501 O ARG A 31 6.253 -25.318 33.331 1.00 0.00 O ATOM 0 H ARG A 31 3.639 -24.162 31.889 1.00 0.00 H new ATOM 0 HA ARG A 31 3.153 -25.780 34.255 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.424 -26.353 31.553 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.212 -27.551 32.814 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.706 -27.168 32.695 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.969 -26.069 31.356 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.954 -27.881 29.999 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.862 -28.991 31.352 1.00 0.00 H new ATOM 0 HE ARG A 31 0.550 -27.972 29.747 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.696 -30.071 32.374 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.268 -31.109 32.315 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.245 -29.362 29.664 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.379 -30.711 30.797 1.00 0.00 H new ATOM 502 C SER A 32 7.388 -26.648 36.136 1.00 0.00 C ATOM 503 CA SER A 32 6.626 -25.309 36.151 1.00 0.00 C ATOM 504 CB SER A 32 6.341 -24.853 37.599 1.00 0.00 C ATOM 510 N SER A 32 5.352 -25.412 35.410 1.00 0.00 N ATOM 511 O SER A 32 8.618 -26.671 36.223 1.00 0.00 O ATOM 512 OG SER A 32 5.395 -25.692 38.236 1.00 0.00 O ATOM 0 H SER A 32 4.533 -25.479 36.015 1.00 0.00 H new ATOM 0 HA SER A 32 7.260 -24.570 35.662 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.270 -24.853 38.170 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.971 -23.828 37.591 1.00 0.00 H new ATOM 0 HG SER A 32 5.240 -25.375 39.150 1.00 0.00 H new ATOM 513 C GLU A 33 7.932 -29.283 34.563 1.00 0.00 C ATOM 514 CA GLU A 33 7.191 -29.117 35.904 1.00 0.00 C ATOM 515 CB GLU A 33 6.039 -30.148 36.049 1.00 0.00 C ATOM 516 CD GLU A 33 5.275 -32.615 36.128 1.00 0.00 C ATOM 517 CG GLU A 33 6.428 -31.627 35.849 1.00 0.00 C ATOM 524 N GLU A 33 6.635 -27.755 36.025 1.00 0.00 N ATOM 525 O GLU A 33 8.958 -29.966 34.480 1.00 0.00 O ATOM 526 OE1 GLU A 33 4.192 -32.467 35.517 1.00 0.00 O ATOM 527 OE2 GLU A 33 5.458 -33.557 36.936 1.00 0.00 O ATOM 0 H GLU A 33 5.615 -27.732 36.016 1.00 0.00 H new ATOM 0 HA GLU A 33 7.919 -29.289 36.697 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.603 -30.039 37.042 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.260 -29.897 35.329 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.775 -31.767 34.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.265 -31.865 36.505 1.00 0.00 H new ATOM 528 C GLU A 34 8.895 -27.429 31.934 1.00 0.00 C ATOM 529 CA GLU A 34 7.983 -28.646 32.168 1.00 0.00 C ATOM 530 CB GLU A 34 6.838 -28.664 31.130 1.00 0.00 C ATOM 531 CD GLU A 34 6.392 -31.199 31.047 1.00 0.00 C ATOM 532 CG GLU A 34 5.816 -29.801 31.318 1.00 0.00 C ATOM 539 N GLU A 34 7.404 -28.625 33.525 1.00 0.00 N ATOM 540 O GLU A 34 9.694 -27.425 30.989 1.00 0.00 O ATOM 541 OE1 GLU A 34 6.852 -31.873 31.995 1.00 0.00 O ATOM 542 OE2 GLU A 34 6.401 -31.625 29.871 1.00 0.00 O ATOM 0 H GLU A 34 6.559 -28.059 33.598 1.00 0.00 H new ATOM 0 HA GLU A 34 8.594 -29.542 32.060 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.312 -27.710 31.173 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.271 -28.744 30.133 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.432 -29.767 32.337 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.970 -29.631 30.652 1.00 0.00 H new ATOM 543 C GLY A 35 9.069 -24.299 31.433 1.00 0.00 C ATOM 544 CA GLY A 35 9.486 -25.131 32.652 1.00 0.00 C ATOM 548 N GLY A 35 8.743 -26.393 32.785 1.00 0.00 N ATOM 549 O GLY A 35 9.798 -23.398 31.016 1.00 0.00 O ATOM 0 H GLY A 35 8.103 -26.411 33.579 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.341 -24.537 33.554 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.551 -25.352 32.584 1.00 0.00 H new ATOM 550 C VAL A 36 6.119 -23.153 29.870 1.00 0.00 C ATOM 551 CA VAL A 36 7.389 -23.975 29.617 1.00 0.00 C ATOM 552 CB VAL A 36 7.083 -25.062 28.513 1.00 0.00 C ATOM 553 CG1 VAL A 36 8.339 -25.910 28.193 1.00 0.00 C ATOM 554 CG2 VAL A 36 5.879 -25.961 28.913 1.00 0.00 C ATOM 564 N VAL A 36 7.880 -24.592 30.872 1.00 0.00 N ATOM 565 O VAL A 36 5.377 -23.409 30.830 1.00 0.00 O ATOM 0 H VAL A 36 7.228 -25.265 31.275 1.00 0.00 H new ATOM 0 HA VAL A 36 8.183 -23.321 29.257 1.00 0.00 H new ATOM 0 HB VAL A 36 6.803 -24.531 27.603 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.095 -26.649 27.430 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.134 -25.260 27.827 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.674 -26.419 29.097 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.698 -26.697 28.129 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.103 -26.474 29.848 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.991 -25.343 29.042 1.00 0.00 H new ATOM 566 C ILE A 37 3.720 -22.041 27.923 1.00 0.00 C ATOM 567 CA ILE A 37 4.639 -21.397 28.968 1.00 0.00 C ATOM 568 CB ILE A 37 4.870 -19.887 28.604 1.00 0.00 C ATOM 569 CD1 ILE A 37 6.410 -17.874 29.046 1.00 0.00 C ATOM 570 CG1 ILE A 37 6.040 -19.289 29.433 1.00 0.00 C ATOM 571 CG2 ILE A 37 3.571 -19.066 28.817 1.00 0.00 C ATOM 583 N ILE A 37 5.885 -22.169 28.999 1.00 0.00 N ATOM 584 O ILE A 37 4.047 -22.079 26.730 1.00 0.00 O ATOM 0 H ILE A 37 6.560 -21.883 28.290 1.00 0.00 H new ATOM 0 HA ILE A 37 4.195 -21.414 29.963 1.00 0.00 H new ATOM 0 HB ILE A 37 5.140 -19.832 27.549 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.770 -19.307 30.489 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.916 -19.927 29.318 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.753 -18.023 28.559 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.780 -19.464 28.181 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.265 -19.133 29.861 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.234 -17.530 29.671 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.714 -17.851 27.999 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.549 -17.221 29.189 1.00 0.00 H new ATOM 585 C VAL A 38 0.475 -22.228 27.220 1.00 0.00 C ATOM 586 CA VAL A 38 1.597 -23.226 27.536 1.00 0.00 C ATOM 587 CB VAL A 38 1.014 -24.516 28.212 1.00 0.00 C ATOM 588 CG1 VAL A 38 -0.307 -24.969 27.552 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.064 -25.653 28.207 1.00 0.00 C ATOM 599 N VAL A 38 2.608 -22.597 28.390 1.00 0.00 N ATOM 600 O VAL A 38 -0.148 -21.675 28.120 1.00 0.00 O ATOM 0 H VAL A 38 2.377 -22.626 29.383 1.00 0.00 H new ATOM 0 HA VAL A 38 2.074 -23.523 26.602 1.00 0.00 H new ATOM 0 HB VAL A 38 0.780 -24.269 29.247 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.675 -25.865 28.052 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.048 -24.175 27.639 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.131 -25.187 26.499 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.642 -26.540 28.680 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.342 -25.887 27.179 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.948 -25.334 28.758 1.00 0.00 H new ATOM 601 C PHE A 39 -1.978 -22.029 24.897 1.00 0.00 C ATOM 602 CA PHE A 39 -0.810 -21.161 25.396 1.00 0.00 C ATOM 603 CB PHE A 39 -0.225 -20.295 24.248 1.00 0.00 C ATOM 604 CD1 PHE A 39 0.786 -18.163 25.166 1.00 0.00 C ATOM 605 CD2 PHE A 39 2.273 -19.929 24.548 1.00 0.00 C ATOM 606 CE1 PHE A 39 1.862 -17.386 25.539 1.00 0.00 C ATOM 607 CE2 PHE A 39 3.348 -19.155 24.922 1.00 0.00 C ATOM 608 CG PHE A 39 0.969 -19.444 24.662 1.00 0.00 C ATOM 609 CZ PHE A 39 3.141 -17.882 25.419 1.00 0.00 C ATOM 619 N PHE A 39 0.226 -22.039 25.926 1.00 0.00 N ATOM 620 O PHE A 39 -1.953 -22.531 23.767 1.00 0.00 O ATOM 0 H PHE A 39 0.759 -22.510 25.195 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.174 -20.487 26.172 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.074 -20.949 23.429 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.008 -19.642 23.864 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.215 -17.769 25.267 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.440 -20.924 24.162 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.702 -16.390 25.925 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.352 -19.542 24.827 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.984 -17.275 25.714 1.00 0.00 H new ATOM 621 C ILE A 40 -5.101 -22.267 24.499 1.00 0.00 C ATOM 622 CA ILE A 40 -4.163 -23.052 25.439 1.00 0.00 C ATOM 623 CB ILE A 40 -4.950 -23.494 26.732 1.00 0.00 C ATOM 624 CD1 ILE A 40 -4.677 -24.610 29.064 1.00 0.00 C ATOM 625 CG1 ILE A 40 -3.999 -24.191 27.761 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.151 -24.412 26.370 1.00 0.00 C ATOM 638 N ILE A 40 -2.983 -22.235 25.763 1.00 0.00 N ATOM 639 O ILE A 40 -5.678 -21.239 24.885 1.00 0.00 O ATOM 0 H ILE A 40 -3.001 -21.842 26.704 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.811 -23.956 24.942 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.348 -22.595 27.202 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.562 -25.073 27.293 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.178 -23.514 27.995 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.675 -24.701 27.281 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.835 -23.875 25.713 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.786 -25.305 25.862 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.946 -25.084 29.718 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.090 -23.731 29.558 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.480 -25.314 28.846 1.00 0.00 H new ATOM 640 C LEU A 41 -7.581 -22.446 22.597 1.00 0.00 C ATOM 641 CA LEU A 41 -6.115 -22.195 22.238 1.00 0.00 C ATOM 642 CB LEU A 41 -5.793 -22.809 20.847 1.00 0.00 C ATOM 643 CD1 LEU A 41 -4.226 -22.958 18.812 1.00 0.00 C ATOM 644 CD2 LEU A 41 -4.366 -20.827 20.159 1.00 0.00 C ATOM 645 CG LEU A 41 -4.443 -22.354 20.214 1.00 0.00 C ATOM 657 N LEU A 41 -5.208 -22.749 23.254 1.00 0.00 N ATOM 658 O LEU A 41 -7.881 -23.240 23.489 1.00 0.00 O ATOM 0 H LEU A 41 -4.662 -23.543 22.919 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.960 -21.117 22.203 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.783 -23.895 20.941 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.601 -22.556 20.161 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.643 -22.727 20.853 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.273 -22.613 18.411 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.218 -24.046 18.882 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.033 -22.643 18.151 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.417 -20.526 19.714 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.188 -20.443 19.555 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.438 -20.422 21.169 1.00 0.00 H new ATOM 659 C ALA A 42 -10.338 -23.427 21.671 1.00 0.00 C ATOM 660 CA ALA A 42 -9.942 -21.971 22.025 1.00 0.00 C ATOM 661 CB ALA A 42 -10.709 -20.953 21.169 1.00 0.00 C ATOM 667 N ALA A 42 -8.488 -21.770 21.875 1.00 0.00 N ATOM 668 O ALA A 42 -11.284 -23.979 22.240 1.00 0.00 O ATOM 0 H ALA A 42 -8.239 -21.072 21.174 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.213 -21.806 23.068 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.781 -21.112 21.288 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.454 -19.943 21.489 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.438 -21.081 20.121 1.00 0.00 H new ATOM 669 C ASN A 43 -8.881 -26.403 21.311 1.00 0.00 C ATOM 670 CA ASN A 43 -9.705 -25.477 20.370 1.00 0.00 C ATOM 671 CB ASN A 43 -9.284 -25.678 18.890 1.00 0.00 C ATOM 672 CG ASN A 43 -7.812 -25.361 18.612 1.00 0.00 C ATOM 679 N ASN A 43 -9.563 -24.044 20.748 1.00 0.00 N ATOM 680 ND2 ASN A 43 -6.955 -26.222 18.715 1.00 0.00 N flip ATOM 681 O ASN A 43 -8.654 -27.584 20.999 1.00 0.00 O ATOM 682 OD1 ASN A 43 -7.516 -24.123 18.254 1.00 0.00 O flip ATOM 0 H ASN A 43 -8.819 -23.564 20.241 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.753 -25.755 20.481 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.483 -26.711 18.604 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.907 -25.046 18.257 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.214 -27.169 18.993 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.979 -25.996 18.523 1.00 0.00 H new ATOM 683 C ASP A 44 -6.345 -27.050 23.172 1.00 0.00 C ATOM 684 CA ASP A 44 -7.741 -26.522 23.561 1.00 0.00 C ATOM 685 CB ASP A 44 -8.631 -27.647 24.165 1.00 0.00 C ATOM 686 CG ASP A 44 -9.966 -27.105 24.693 1.00 0.00 C ATOM 691 N ASP A 44 -8.430 -25.824 22.448 1.00 0.00 N ATOM 692 O ASP A 44 -5.796 -27.926 23.853 1.00 0.00 O ATOM 693 OD1 ASP A 44 -9.978 -26.506 25.789 1.00 0.00 O ATOM 694 OD2 ASP A 44 -11.009 -27.267 24.016 1.00 0.00 O ATOM 0 H ASP A 44 -8.539 -24.825 22.623 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.576 -25.773 24.335 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.823 -28.404 23.405 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.093 -28.138 24.976 1.00 0.00 H new ATOM 695 C ARG A 45 -3.347 -26.122 22.523 1.00 0.00 C ATOM 696 CA ARG A 45 -4.398 -26.846 21.664 1.00 0.00 C ATOM 697 CB ARG A 45 -4.193 -26.487 20.175 1.00 0.00 C ATOM 698 CD ARG A 45 -2.577 -26.253 18.208 1.00 0.00 C ATOM 699 CG ARG A 45 -2.773 -26.761 19.639 1.00 0.00 C ATOM 700 CZ ARG A 45 -0.674 -25.929 16.636 1.00 0.00 C ATOM 714 N ARG A 45 -5.757 -26.483 22.106 1.00 0.00 N ATOM 715 NE ARG A 45 -1.203 -26.457 17.745 1.00 0.00 N ATOM 716 NH1 ARG A 45 -1.394 -25.142 15.834 1.00 0.00 N ATOM 717 NH2 ARG A 45 0.584 -26.200 16.332 1.00 0.00 N ATOM 718 O ARG A 45 -3.300 -24.890 22.544 1.00 0.00 O ATOM 0 H ARG A 45 -6.203 -25.768 21.531 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.278 -27.923 21.784 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.908 -27.051 19.577 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.423 -25.431 20.034 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.043 -26.284 20.293 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.577 -27.833 19.670 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.267 -26.770 17.541 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.823 -25.192 18.161 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.600 -27.050 18.315 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.366 -24.934 16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.972 -24.749 14.993 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.137 -26.804 16.940 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.002 -25.805 15.489 1.00 0.00 H new ATOM 719 C GLU A 46 -0.208 -25.989 23.148 1.00 0.00 C ATOM 720 CA GLU A 46 -1.415 -26.375 24.033 1.00 0.00 C ATOM 721 CB GLU A 46 -1.008 -27.429 25.094 1.00 0.00 C ATOM 722 CD GLU A 46 -1.599 -28.651 27.274 1.00 0.00 C ATOM 723 CG GLU A 46 -2.120 -27.793 26.106 1.00 0.00 C ATOM 730 N GLU A 46 -2.508 -26.898 23.217 1.00 0.00 N ATOM 731 O GLU A 46 0.493 -26.867 22.631 1.00 0.00 O ATOM 732 OE1 GLU A 46 -1.025 -28.088 28.230 1.00 0.00 O ATOM 733 OE2 GLU A 46 -1.725 -29.893 27.236 1.00 0.00 O ATOM 0 H GLU A 46 -2.572 -27.916 23.226 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.753 -25.473 24.544 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.692 -28.337 24.581 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.144 -27.056 25.644 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.561 -26.878 26.501 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.914 -28.332 25.590 1.00 0.00 H new ATOM 734 C LEU A 47 2.320 -23.986 23.323 1.00 0.00 C ATOM 735 CA LEU A 47 1.204 -24.140 22.279 1.00 0.00 C ATOM 736 CB LEU A 47 0.913 -22.799 21.546 1.00 0.00 C ATOM 737 CD1 LEU A 47 -0.095 -21.549 19.543 1.00 0.00 C ATOM 738 CD2 LEU A 47 1.151 -23.744 19.183 1.00 0.00 C ATOM 739 CG LEU A 47 0.242 -22.931 20.140 1.00 0.00 C ATOM 751 N LEU A 47 -0.011 -24.674 22.925 1.00 0.00 N ATOM 752 O LEU A 47 2.239 -23.154 24.217 1.00 0.00 O ATOM 0 H LEU A 47 -0.686 -23.956 23.186 1.00 0.00 H new ATOM 0 HA LEU A 47 1.538 -24.846 21.519 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.269 -22.191 22.181 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.852 -22.257 21.432 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.698 -23.469 20.264 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.560 -21.678 18.566 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.783 -21.024 20.206 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.820 -20.966 19.435 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.671 -23.827 18.208 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.109 -23.237 19.073 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.313 -24.740 19.594 1.00 0.00 H new ATOM 753 C LYS A 48 5.678 -24.223 23.777 1.00 0.00 C ATOM 754 CA LYS A 48 4.410 -24.982 24.183 1.00 0.00 C ATOM 755 CB LYS A 48 4.686 -26.499 24.338 1.00 0.00 C ATOM 756 CD LYS A 48 6.036 -28.401 25.444 1.00 0.00 C ATOM 757 CE LYS A 48 4.839 -29.088 26.131 1.00 0.00 C ATOM 758 CG LYS A 48 5.850 -26.872 25.286 1.00 0.00 C ATOM 772 N LYS A 48 3.358 -24.795 23.174 1.00 0.00 N ATOM 773 NZ LYS A 48 5.018 -30.557 26.227 1.00 0.00 N ATOM 774 O LYS A 48 6.411 -24.648 22.877 1.00 0.00 O ATOM 0 H LYS A 48 3.503 -25.355 22.334 1.00 0.00 H new ATOM 0 HA LYS A 48 4.084 -24.580 25.142 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.778 -26.980 24.700 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.896 -26.915 23.352 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.774 -26.437 24.906 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.669 -26.431 26.266 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.187 -28.846 24.461 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.939 -28.593 26.023 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.708 -28.673 27.130 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.928 -28.870 25.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.190 -30.978 26.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.117 -30.958 25.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.873 -30.767 26.781 1.00 0.00 H new ATOM 775 C PHE A 49 7.649 -21.750 25.520 1.00 0.00 C ATOM 776 CA PHE A 49 7.063 -22.196 24.169 1.00 0.00 C ATOM 777 CB PHE A 49 6.638 -20.962 23.322 1.00 0.00 C ATOM 778 CD1 PHE A 49 7.105 -21.106 20.815 1.00 0.00 C ATOM 779 CD2 PHE A 49 4.918 -21.703 21.587 1.00 0.00 C ATOM 780 CE1 PHE A 49 6.718 -21.371 19.513 1.00 0.00 C ATOM 781 CE2 PHE A 49 4.535 -21.970 20.286 1.00 0.00 C ATOM 782 CG PHE A 49 6.211 -21.265 21.880 1.00 0.00 C ATOM 783 CZ PHE A 49 5.433 -21.803 19.251 1.00 0.00 C ATOM 793 N PHE A 49 5.907 -23.075 24.427 1.00 0.00 N ATOM 794 O PHE A 49 6.905 -21.345 26.411 1.00 0.00 O ATOM 0 H PHE A 49 5.288 -22.723 25.157 1.00 0.00 H new ATOM 0 HA PHE A 49 7.818 -22.740 23.601 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.813 -20.462 23.829 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.469 -20.258 23.296 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.113 -20.771 21.012 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.207 -21.835 22.389 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.420 -21.240 18.703 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.531 -22.310 20.079 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.130 -22.010 18.235 1.00 0.00 H new ATOM 795 C ARG A 50 9.740 -19.943 27.135 1.00 0.00 C ATOM 796 CA ARG A 50 9.680 -21.480 26.926 1.00 0.00 C ATOM 797 CB ARG A 50 11.112 -22.084 26.925 1.00 0.00 C ATOM 798 CD ARG A 50 12.599 -24.170 27.086 1.00 0.00 C ATOM 799 CG ARG A 50 11.164 -23.622 26.993 1.00 0.00 C ATOM 800 CZ ARG A 50 13.695 -26.381 27.543 1.00 0.00 C ATOM 814 N ARG A 50 8.982 -21.826 25.667 1.00 0.00 N ATOM 815 NE ARG A 50 12.615 -25.639 27.238 1.00 0.00 N ATOM 816 NH1 ARG A 50 14.878 -25.809 27.740 1.00 0.00 N ATOM 817 NH2 ARG A 50 13.577 -27.696 27.647 1.00 0.00 N ATOM 818 O ARG A 50 9.579 -19.185 26.169 1.00 0.00 O ATOM 0 H ARG A 50 9.609 -22.128 24.921 1.00 0.00 H new ATOM 0 HA ARG A 50 9.115 -21.906 27.755 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.629 -21.756 26.023 1.00 0.00 H new ATOM 0 HB3 ARG A 50 11.663 -21.678 27.773 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.594 -23.962 27.858 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.679 -24.036 26.109 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.154 -23.891 26.190 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.109 -23.711 27.933 1.00 0.00 H new ATOM 0 HE ARG A 50 11.733 -26.132 27.100 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.975 -24.797 27.661 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.690 -26.382 27.971 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.671 -28.140 27.496 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.392 -28.264 27.878 1.00 0.00 H new ATOM 819 C PRO A 51 11.278 -17.390 27.819 1.00 0.00 C ATOM 820 CA PRO A 51 10.189 -18.032 28.709 1.00 0.00 C ATOM 821 CB PRO A 51 10.606 -18.032 30.200 1.00 0.00 C ATOM 822 CD PRO A 51 9.904 -20.264 29.676 1.00 0.00 C ATOM 823 CG PRO A 51 9.901 -19.219 30.772 1.00 0.00 C ATOM 831 N PRO A 51 9.951 -19.463 28.415 1.00 0.00 N ATOM 832 O PRO A 51 11.010 -16.448 27.075 1.00 0.00 O ATOM 0 HA PRO A 51 9.303 -17.431 28.503 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.687 -18.117 30.312 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.305 -17.111 30.699 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.410 -19.585 31.663 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.883 -18.965 31.068 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.764 -20.928 29.760 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.013 -20.890 29.719 1.00 0.00 H new ATOM 833 C ASP A 52 13.658 -17.784 25.649 1.00 0.00 C ATOM 834 CA ASP A 52 13.658 -17.395 27.141 1.00 0.00 C ATOM 835 CB ASP A 52 14.951 -17.856 27.852 1.00 0.00 C ATOM 836 CG ASP A 52 14.966 -17.444 29.335 1.00 0.00 C ATOM 841 N ASP A 52 12.485 -17.964 27.841 1.00 0.00 N ATOM 842 O ASP A 52 14.597 -17.463 24.912 1.00 0.00 O ATOM 843 OD1 ASP A 52 14.351 -18.157 30.171 1.00 0.00 O ATOM 844 OD2 ASP A 52 15.563 -16.405 29.675 1.00 0.00 O ATOM 0 H ASP A 52 12.684 -18.831 28.339 1.00 0.00 H new ATOM 0 HA ASP A 52 13.607 -16.307 27.181 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.042 -18.939 27.775 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.816 -17.427 27.347 1.00 0.00 H new ATOM 845 C ASP A 53 11.457 -17.705 23.178 1.00 0.00 C ATOM 846 CA ASP A 53 12.319 -18.817 23.827 1.00 0.00 C ATOM 847 CB ASP A 53 11.622 -20.204 23.775 1.00 0.00 C ATOM 848 CG ASP A 53 11.402 -20.777 22.372 1.00 0.00 C ATOM 853 N ASP A 53 12.592 -18.487 25.231 1.00 0.00 N ATOM 854 O ASP A 53 11.393 -17.583 21.955 1.00 0.00 O ATOM 855 OD1 ASP A 53 10.235 -20.991 21.966 1.00 0.00 O ATOM 856 OD2 ASP A 53 12.402 -21.045 21.673 1.00 0.00 O ATOM 0 H ASP A 53 11.885 -18.847 25.872 1.00 0.00 H new ATOM 0 HA ASP A 53 13.246 -18.873 23.256 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.218 -20.913 24.349 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.655 -20.125 24.272 1.00 0.00 H new ATOM 857 C LEU A 54 10.490 -14.397 23.975 1.00 0.00 C ATOM 858 CA LEU A 54 9.924 -15.771 23.595 1.00 0.00 C ATOM 859 CB LEU A 54 8.539 -15.969 24.254 1.00 0.00 C ATOM 860 CD1 LEU A 54 6.565 -17.485 24.773 1.00 0.00 C ATOM 861 CD2 LEU A 54 7.525 -17.418 22.405 1.00 0.00 C ATOM 862 CG LEU A 54 7.830 -17.314 23.920 1.00 0.00 C ATOM 874 N LEU A 54 10.830 -16.862 24.025 1.00 0.00 N ATOM 875 O LEU A 54 11.353 -14.297 24.850 1.00 0.00 O ATOM 0 H LEU A 54 10.938 -16.919 25.038 1.00 0.00 H new ATOM 0 HA LEU A 54 9.829 -15.807 22.510 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.656 -15.898 25.335 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.889 -15.149 23.949 1.00 0.00 H new ATOM 0 HG LEU A 54 8.505 -18.133 24.168 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.084 -18.431 24.525 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.835 -17.481 25.829 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.877 -16.664 24.572 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.030 -18.367 22.198 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.874 -16.596 22.108 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.457 -17.365 21.842 1.00 0.00 H new ATOM 876 C GLN A 55 9.856 -11.444 24.900 1.00 0.00 C ATOM 877 CA GLN A 55 10.383 -11.947 23.562 1.00 0.00 C ATOM 878 CB GLN A 55 9.901 -11.004 22.431 1.00 0.00 C ATOM 879 CD GLN A 55 9.836 -8.586 21.520 1.00 0.00 C ATOM 880 CG GLN A 55 10.280 -9.518 22.645 1.00 0.00 C ATOM 889 N GLN A 55 9.968 -13.342 23.314 1.00 0.00 N ATOM 890 NE2 GLN A 55 10.585 -7.518 21.294 1.00 0.00 N ATOM 891 O GLN A 55 10.634 -10.935 25.718 1.00 0.00 O ATOM 892 OE1 GLN A 55 8.830 -8.823 20.857 1.00 0.00 O ATOM 0 H GLN A 55 9.249 -13.434 22.596 1.00 0.00 H new ATOM 0 HA GLN A 55 11.473 -11.940 23.585 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.323 -11.343 21.485 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.817 -11.083 22.343 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.839 -9.174 23.581 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.362 -9.444 22.756 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.415 -7.348 21.862 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.332 -6.865 20.552 1.00 0.00 H new ATOM 893 C ALA A 56 8.545 -11.490 27.575 1.00 0.00 C ATOM 894 CA ALA A 56 7.803 -11.105 26.301 1.00 0.00 C ATOM 895 CB ALA A 56 6.357 -11.661 26.364 1.00 0.00 C ATOM 901 N ALA A 56 8.519 -11.599 25.098 1.00 0.00 N ATOM 902 O ALA A 56 8.843 -10.655 28.430 1.00 0.00 O ATOM 0 H ALA A 56 7.910 -12.069 24.428 1.00 0.00 H new ATOM 0 HA ALA A 56 7.761 -10.018 26.225 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.860 -11.281 27.256 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.806 -11.344 25.478 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.387 -12.750 26.402 1.00 0.00 H new ATOM 903 C THR A 57 10.868 -13.807 28.766 1.00 0.00 C ATOM 904 CA THR A 57 9.385 -13.441 28.810 1.00 0.00 C ATOM 905 CB THR A 57 8.502 -14.706 28.969 1.00 0.00 C ATOM 906 CG2 THR A 57 7.089 -14.314 29.327 1.00 0.00 C ATOM 914 N THR A 57 8.930 -12.757 27.610 1.00 0.00 N ATOM 915 O THR A 57 11.302 -14.696 29.508 1.00 0.00 O ATOM 916 OG1 THR A 57 8.467 -15.446 27.737 1.00 0.00 O ATOM 0 H THR A 57 8.934 -13.353 26.782 1.00 0.00 H new ATOM 0 HA THR A 57 9.284 -12.774 29.667 1.00 0.00 H new ATOM 0 HB THR A 57 8.931 -15.320 29.761 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.382 -15.658 27.456 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.479 -15.211 29.436 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.092 -13.761 30.266 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.674 -13.687 28.538 1.00 0.00 H new ATOM 917 C TYR A 58 13.803 -12.890 29.073 1.00 0.00 C ATOM 918 CA TYR A 58 13.081 -13.339 27.787 1.00 0.00 C ATOM 919 CB TYR A 58 13.611 -12.588 26.540 1.00 0.00 C ATOM 920 CD1 TYR A 58 15.304 -14.307 25.752 1.00 0.00 C ATOM 921 CD2 TYR A 58 16.079 -12.068 26.058 1.00 0.00 C ATOM 922 CE1 TYR A 58 16.561 -14.696 25.351 1.00 0.00 C ATOM 923 CE2 TYR A 58 17.346 -12.453 25.655 1.00 0.00 C ATOM 924 CG TYR A 58 15.030 -12.988 26.115 1.00 0.00 C ATOM 925 CZ TYR A 58 17.583 -13.766 25.304 1.00 0.00 C ATOM 935 N TYR A 58 11.639 -13.105 27.927 1.00 0.00 N ATOM 936 O TYR A 58 14.172 -11.726 29.215 1.00 0.00 O ATOM 937 OH TYR A 58 18.847 -14.152 24.909 1.00 0.00 O ATOM 0 H TYR A 58 11.282 -12.361 27.328 1.00 0.00 H new ATOM 0 HA TYR A 58 13.277 -14.402 27.645 1.00 0.00 H new ATOM 0 HB2 TYR A 58 12.931 -12.767 25.707 1.00 0.00 H new ATOM 0 HB3 TYR A 58 13.593 -11.517 26.741 1.00 0.00 H new ATOM 0 HD1 TYR A 58 14.511 -15.039 25.787 1.00 0.00 H new ATOM 0 HD2 TYR A 58 15.899 -11.039 26.333 1.00 0.00 H new ATOM 0 HE1 TYR A 58 16.749 -15.723 25.074 1.00 0.00 H new ATOM 0 HE2 TYR A 58 18.146 -11.728 25.615 1.00 0.00 H new ATOM 0 HH TYR A 58 19.447 -13.378 24.930 1.00 0.00 H new ATOM 938 C GLY A 59 13.390 -13.058 32.334 1.00 0.00 C ATOM 939 CA GLY A 59 14.465 -13.541 31.356 1.00 0.00 C ATOM 943 N GLY A 59 13.937 -13.831 30.023 1.00 0.00 N ATOM 944 O GLY A 59 13.682 -12.271 33.239 1.00 0.00 O ATOM 0 H GLY A 59 13.682 -14.809 29.884 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.936 -14.438 31.757 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.243 -12.781 31.275 1.00 0.00 H new ATOM 945 C ALA A 60 10.827 -14.469 34.032 1.00 0.00 C ATOM 946 CA ALA A 60 11.030 -13.261 33.105 1.00 0.00 C ATOM 947 CB ALA A 60 9.718 -12.932 32.372 1.00 0.00 C ATOM 953 N ALA A 60 12.137 -13.527 32.154 1.00 0.00 N ATOM 954 O ALA A 60 10.830 -15.620 33.572 1.00 0.00 O ATOM 0 H ALA A 60 11.863 -14.096 31.353 1.00 0.00 H new ATOM 0 HA ALA A 60 11.306 -12.391 33.700 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.931 -12.743 33.102 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.859 -12.046 31.753 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.433 -13.774 31.741 1.00 0.00 H new ATOM 955 C THR A 61 9.051 -15.823 36.354 1.00 0.00 C ATOM 956 CA THR A 61 10.476 -15.202 36.377 1.00 0.00 C ATOM 957 CB THR A 61 10.781 -14.561 37.774 1.00 0.00 C ATOM 958 CG2 THR A 61 12.267 -14.194 37.938 1.00 0.00 C ATOM 966 N THR A 61 10.628 -14.185 35.324 1.00 0.00 N ATOM 967 O THR A 61 8.105 -15.161 35.920 1.00 0.00 O ATOM 968 OG1 THR A 61 9.984 -13.386 37.940 1.00 0.00 O ATOM 0 H THR A 61 10.567 -13.229 35.675 1.00 0.00 H new ATOM 0 HA THR A 61 11.187 -16.007 36.192 1.00 0.00 H new ATOM 0 HB THR A 61 10.538 -15.302 38.535 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.172 -12.984 38.814 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.427 -13.754 38.922 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.877 -15.092 37.839 1.00 0.00 H new ATOM 0 HG23 THR A 61 12.552 -13.476 37.169 1.00 0.00 H new ATOM 969 C PRO A 62 6.463 -17.093 37.675 1.00 0.00 C ATOM 970 CA PRO A 62 7.559 -17.810 36.837 1.00 0.00 C ATOM 971 CB PRO A 62 7.893 -19.212 37.423 1.00 0.00 C ATOM 972 CD PRO A 62 9.962 -18.018 37.307 1.00 0.00 C ATOM 973 CG PRO A 62 9.213 -19.052 38.107 1.00 0.00 C ATOM 981 N PRO A 62 8.880 -17.115 36.818 1.00 0.00 N ATOM 982 O PRO A 62 5.271 -17.362 37.479 1.00 0.00 O ATOM 0 HA PRO A 62 7.123 -17.838 35.839 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.124 -19.538 38.124 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.947 -19.964 36.636 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.083 -18.729 39.140 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.757 -19.996 38.134 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.687 -17.482 37.920 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.513 -18.469 36.482 1.00 0.00 H new ATOM 983 C GLU A 63 5.192 -14.341 38.504 1.00 0.00 C ATOM 984 CA GLU A 63 5.922 -15.370 39.389 1.00 0.00 C ATOM 985 CB GLU A 63 6.657 -14.653 40.552 1.00 0.00 C ATOM 986 CD GLU A 63 8.405 -12.907 41.262 1.00 0.00 C ATOM 987 CG GLU A 63 7.702 -13.616 40.101 1.00 0.00 C ATOM 994 N GLU A 63 6.869 -16.187 38.588 1.00 0.00 N ATOM 995 O GLU A 63 4.043 -13.971 38.768 1.00 0.00 O ATOM 996 OE1 GLU A 63 7.956 -11.811 41.670 1.00 0.00 O ATOM 997 OE2 GLU A 63 9.400 -13.452 41.781 1.00 0.00 O ATOM 0 H GLU A 63 7.850 -15.999 38.793 1.00 0.00 H new ATOM 0 HA GLU A 63 5.179 -16.046 39.813 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.918 -14.156 41.181 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.150 -15.403 41.171 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.450 -14.112 39.483 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.214 -12.870 39.473 1.00 0.00 H new ATOM 998 C GLN A 64 4.437 -13.662 35.441 1.00 0.00 C ATOM 999 CA GLN A 64 5.365 -12.947 36.451 1.00 0.00 C ATOM 1000 CB GLN A 64 6.555 -12.275 35.722 1.00 0.00 C ATOM 1001 CD GLN A 64 8.623 -10.778 35.891 1.00 0.00 C ATOM 1002 CG GLN A 64 7.531 -11.537 36.649 1.00 0.00 C ATOM 1011 N GLN A 64 5.889 -13.896 37.449 1.00 0.00 N ATOM 1012 NE2 GLN A 64 8.345 -9.528 35.531 1.00 0.00 N ATOM 1013 O GLN A 64 3.600 -13.040 34.780 1.00 0.00 O ATOM 1014 OE1 GLN A 64 9.699 -11.310 35.627 1.00 0.00 O ATOM 0 H GLN A 64 6.848 -14.189 37.260 1.00 0.00 H new ATOM 0 HA GLN A 64 4.771 -12.185 36.957 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.104 -13.037 35.169 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.165 -11.569 34.989 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.973 -10.835 37.269 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.997 -12.256 37.322 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.441 -9.118 35.767 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.036 -8.979 35.019 1.00 0.00 H new ATOM 1015 C LEU A 65 2.728 -16.587 35.196 1.00 0.00 C ATOM 1016 CA LEU A 65 3.881 -15.887 34.437 1.00 0.00 C ATOM 1017 CB LEU A 65 4.904 -16.917 33.873 1.00 0.00 C ATOM 1018 CD1 LEU A 65 7.192 -17.352 32.778 1.00 0.00 C ATOM 1019 CD2 LEU A 65 5.958 -15.165 32.348 1.00 0.00 C ATOM 1020 CG LEU A 65 6.236 -16.291 33.352 1.00 0.00 C ATOM 1032 N LEU A 65 4.610 -14.990 35.359 1.00 0.00 N ATOM 1033 O LEU A 65 2.252 -17.650 34.791 1.00 0.00 O ATOM 0 H LEU A 65 5.279 -15.488 35.947 1.00 0.00 H new ATOM 0 HA LEU A 65 3.437 -15.331 33.612 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.139 -17.641 34.653 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.434 -17.468 33.058 1.00 0.00 H new ATOM 0 HG LEU A 65 6.746 -15.851 34.209 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.104 -16.869 32.428 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.440 -18.076 33.554 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.710 -17.863 31.945 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.902 -14.746 32.001 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.404 -15.564 31.498 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.370 -14.384 32.831 1.00 0.00 H new ATOM 1034 C ARG A 66 -0.068 -15.472 36.581 1.00 0.00 C ATOM 1035 CA ARG A 66 1.094 -16.356 37.055 1.00 0.00 C ATOM 1036 CB ARG A 66 1.291 -16.164 38.583 1.00 0.00 C ATOM 1037 CD ARG A 66 2.541 -16.694 40.724 1.00 0.00 C ATOM 1038 CG ARG A 66 2.439 -16.969 39.216 1.00 0.00 C ATOM 1039 CZ ARG A 66 4.361 -16.961 42.421 1.00 0.00 C ATOM 1053 N ARG A 66 2.304 -15.969 36.319 1.00 0.00 N ATOM 1054 NE ARG A 66 3.655 -17.413 41.367 1.00 0.00 N ATOM 1055 NH1 ARG A 66 4.113 -15.759 42.937 1.00 0.00 N ATOM 1056 NH2 ARG A 66 5.314 -17.721 42.943 1.00 0.00 N ATOM 1057 O ARG A 66 -1.078 -15.961 36.058 1.00 0.00 O ATOM 0 H ARG A 66 2.799 -15.182 36.739 1.00 0.00 H new ATOM 0 HA ARG A 66 0.882 -17.408 36.865 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.464 -15.106 38.778 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.363 -16.433 39.087 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.277 -18.034 39.047 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.380 -16.709 38.731 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.666 -15.623 40.885 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.605 -16.981 41.204 1.00 0.00 H new ATOM 0 HE ARG A 66 3.911 -18.323 40.984 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.383 -15.172 42.534 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.653 -15.425 43.735 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.508 -18.640 42.546 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.853 -17.386 43.741 1.00 0.00 H new ATOM 1058 C GLU A 67 -0.796 -12.781 34.936 1.00 0.00 C ATOM 1059 CA GLU A 67 -0.913 -13.137 36.425 1.00 0.00 C ATOM 1060 CB GLU A 67 -0.812 -11.890 37.359 1.00 0.00 C ATOM 1061 CD GLU A 67 0.678 -10.024 38.321 1.00 0.00 C ATOM 1062 CG GLU A 67 0.620 -11.400 37.637 1.00 0.00 C ATOM 1069 N GLU A 67 0.101 -14.148 36.774 1.00 0.00 N ATOM 1070 O GLU A 67 -0.055 -11.879 34.515 1.00 0.00 O ATOM 1071 OE1 GLU A 67 0.496 -9.948 39.553 1.00 0.00 O ATOM 1072 OE2 GLU A 67 0.905 -9.009 37.624 1.00 0.00 O ATOM 0 H GLU A 67 0.949 -13.750 37.178 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.908 -13.551 36.587 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.379 -11.073 36.912 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.290 -12.127 38.310 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.129 -12.131 38.265 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.168 -11.352 36.696 1.00 0.00 H new ATOM 1073 C ILE A 68 -2.979 -13.145 32.228 1.00 0.00 C ATOM 1074 CA ILE A 68 -1.547 -13.505 32.689 1.00 0.00 C ATOM 1075 CB ILE A 68 -1.093 -14.897 32.101 1.00 0.00 C ATOM 1076 CD1 ILE A 68 0.845 -16.622 32.129 1.00 0.00 C ATOM 1077 CG1 ILE A 68 0.431 -15.180 32.368 1.00 0.00 C ATOM 1078 CG2 ILE A 68 -1.384 -15.000 30.596 1.00 0.00 C ATOM 1090 N ILE A 68 -1.510 -13.580 34.145 1.00 0.00 N ATOM 1091 O ILE A 68 -3.961 -13.565 32.849 1.00 0.00 O ATOM 0 H ILE A 68 -2.100 -14.325 34.516 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.870 -12.731 32.327 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.679 -15.654 32.622 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.028 -14.531 31.727 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.664 -14.912 33.399 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.057 -15.973 30.228 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.454 -14.888 30.424 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.847 -14.213 30.067 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.909 -16.734 32.335 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.277 -17.278 32.789 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.646 -16.890 31.091 1.00 0.00 H new ATOM 1092 C GLU A 69 -4.193 -12.198 28.980 1.00 0.00 C ATOM 1093 CA GLU A 69 -4.348 -11.990 30.497 1.00 0.00 C ATOM 1094 CB GLU A 69 -4.693 -10.507 30.826 1.00 0.00 C ATOM 1095 CD GLU A 69 -6.303 -8.521 30.575 1.00 0.00 C ATOM 1096 CG GLU A 69 -6.025 -9.999 30.245 1.00 0.00 C ATOM 1103 N GLU A 69 -3.076 -12.355 31.151 1.00 0.00 N ATOM 1104 O GLU A 69 -3.079 -12.202 28.491 1.00 0.00 O ATOM 1105 OE1 GLU A 69 -7.022 -8.245 31.563 1.00 0.00 O ATOM 1106 OE2 GLU A 69 -5.794 -7.622 29.863 1.00 0.00 O ATOM 0 H GLU A 69 -2.260 -11.942 30.698 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.162 -12.616 30.861 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.719 -10.389 31.909 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.888 -9.873 30.455 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.015 -10.128 29.163 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.840 -10.611 30.631 1.00 0.00 H new ATOM 1107 C ILE A 70 -5.014 -11.106 26.144 1.00 0.00 C ATOM 1108 CA ILE A 70 -5.277 -12.502 26.767 1.00 0.00 C ATOM 1109 CB ILE A 70 -6.621 -13.151 26.230 1.00 0.00 C ATOM 1110 CD1 ILE A 70 -5.672 -15.542 26.671 1.00 0.00 C ATOM 1111 CG1 ILE A 70 -6.828 -14.572 26.865 1.00 0.00 C ATOM 1112 CG2 ILE A 70 -6.696 -13.218 24.670 1.00 0.00 C ATOM 1124 N ILE A 70 -5.301 -12.390 28.247 1.00 0.00 N ATOM 1125 O ILE A 70 -5.338 -10.081 26.763 1.00 0.00 O ATOM 0 H ILE A 70 -6.234 -12.472 28.652 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.465 -13.164 26.467 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.434 -12.495 26.541 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.006 -14.453 27.934 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.729 -15.015 26.440 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.640 -13.672 24.370 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.632 -12.210 24.259 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.868 -13.818 24.291 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.912 -16.494 27.145 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -5.504 -15.700 25.606 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.770 -15.129 27.123 1.00 0.00 H new ATOM 1126 C SER A 71 -5.152 -8.846 24.050 1.00 0.00 C ATOM 1127 CA SER A 71 -3.990 -9.850 24.235 1.00 0.00 C ATOM 1128 CB SER A 71 -3.397 -10.208 22.852 1.00 0.00 C ATOM 1134 N SER A 71 -4.407 -11.088 24.935 1.00 0.00 N ATOM 1135 O SER A 71 -6.315 -9.259 23.973 1.00 0.00 O ATOM 1136 OG SER A 71 -4.332 -10.922 22.049 1.00 0.00 O ATOM 0 H SER A 71 -4.191 -11.938 24.414 1.00 0.00 H new ATOM 0 HA SER A 71 -3.239 -9.367 24.861 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.097 -9.295 22.337 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.498 -10.809 22.986 1.00 0.00 H new ATOM 0 HG SER A 71 -4.486 -11.809 22.436 1.00 0.00 H new ATOM 1137 C PRO A 72 -6.366 -6.622 22.157 1.00 0.00 C ATOM 1138 CA PRO A 72 -5.873 -6.483 23.626 1.00 0.00 C ATOM 1139 CB PRO A 72 -5.120 -5.154 23.882 1.00 0.00 C ATOM 1140 CD PRO A 72 -3.508 -6.883 24.187 1.00 0.00 C ATOM 1141 CG PRO A 72 -3.681 -5.491 23.633 1.00 0.00 C ATOM 1149 N PRO A 72 -4.851 -7.508 23.960 1.00 0.00 N ATOM 1150 O PRO A 72 -7.398 -6.060 21.777 1.00 0.00 O ATOM 0 HA PRO A 72 -6.786 -6.567 24.216 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.466 -4.366 23.213 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.275 -4.799 24.901 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.445 -5.457 22.569 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.018 -4.783 24.129 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.717 -7.427 23.670 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.245 -6.866 25.245 1.00 0.00 H new ATOM 1151 C SER A 73 -6.916 -9.007 19.990 1.00 0.00 C ATOM 1152 CA SER A 73 -5.982 -7.768 19.977 1.00 0.00 C ATOM 1153 CB SER A 73 -4.705 -8.076 19.170 1.00 0.00 C ATOM 1159 N SER A 73 -5.603 -7.383 21.348 1.00 0.00 N ATOM 1160 O SER A 73 -7.623 -9.264 19.009 1.00 0.00 O ATOM 1161 OG SER A 73 -3.781 -7.003 19.250 1.00 0.00 O ATOM 0 H SER A 73 -4.696 -7.751 21.633 1.00 0.00 H new ATOM 0 HA SER A 73 -6.523 -6.944 19.512 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.243 -8.988 19.549 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.965 -8.260 18.127 1.00 0.00 H new ATOM 0 HG SER A 73 -3.485 -6.758 18.348 1.00 0.00 H new ATOM 1162 C GLY A 74 -7.203 -12.206 20.510 1.00 0.00 C ATOM 1163 CA GLY A 74 -7.705 -10.987 21.284 1.00 0.00 C ATOM 1167 N GLY A 74 -6.877 -9.778 21.103 1.00 0.00 N ATOM 1168 O GLY A 74 -7.888 -13.232 20.447 1.00 0.00 O ATOM 0 H GLY A 74 -6.270 -9.577 21.898 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.743 -11.233 22.345 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.726 -10.766 20.972 1.00 0.00 H new ATOM 1169 C LEU A 75 -4.470 -13.946 20.263 1.00 0.00 C ATOM 1170 CA LEU A 75 -5.318 -13.192 19.242 1.00 0.00 C ATOM 1171 CB LEU A 75 -4.424 -12.668 18.084 1.00 0.00 C ATOM 1172 CD1 LEU A 75 -4.206 -11.550 15.809 1.00 0.00 C ATOM 1173 CD2 LEU A 75 -5.847 -13.459 16.119 1.00 0.00 C ATOM 1174 CG LEU A 75 -5.168 -12.241 16.788 1.00 0.00 C ATOM 1186 N LEU A 75 -6.005 -12.085 19.916 1.00 0.00 N ATOM 1187 O LEU A 75 -4.816 -15.048 20.670 1.00 0.00 O ATOM 0 H LEU A 75 -5.484 -11.208 19.891 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.062 -13.863 18.812 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.854 -11.814 18.450 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.705 -13.445 17.827 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.944 -11.527 17.063 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.749 -11.260 14.909 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.783 -10.662 16.280 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.403 -12.237 15.543 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.362 -13.137 15.214 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.091 -14.201 15.862 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.567 -13.899 16.809 1.00 0.00 H new ATOM 1188 C GLY A 76 -2.570 -13.631 22.989 1.00 0.00 C ATOM 1189 CA GLY A 76 -2.357 -13.941 21.537 1.00 0.00 C ATOM 1193 N GLY A 76 -3.356 -13.308 20.684 1.00 0.00 N ATOM 1194 O GLY A 76 -3.679 -13.795 23.505 1.00 0.00 O ATOM 0 H GLY A 76 -3.135 -12.343 20.437 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.388 -15.021 21.390 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.363 -13.607 21.238 1.00 0.00 H new ATOM 1195 C VAL A 77 -0.973 -11.506 25.409 1.00 0.00 C ATOM 1196 CA VAL A 77 -1.532 -12.904 25.084 1.00 0.00 C ATOM 1197 CB VAL A 77 -0.697 -14.018 25.829 1.00 0.00 C ATOM 1198 CG1 VAL A 77 0.798 -13.671 25.895 1.00 0.00 C ATOM 1199 CG2 VAL A 77 -1.278 -14.297 27.216 1.00 0.00 C ATOM 1209 N VAL A 77 -1.525 -13.131 23.643 1.00 0.00 N ATOM 1210 O VAL A 77 -0.342 -10.878 24.564 1.00 0.00 O ATOM 0 H VAL A 77 -0.650 -12.872 23.188 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.563 -12.957 25.435 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.776 -14.934 25.244 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.333 -14.465 26.416 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.193 -13.570 24.884 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.930 -12.732 26.432 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.686 -15.068 27.710 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.254 -13.384 27.811 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.308 -14.638 27.117 1.00 0.00 H new ATOM 1211 C TYR A 78 -0.329 -10.223 28.705 1.00 0.00 C ATOM 1212 CA TYR A 78 -0.641 -9.872 27.242 1.00 0.00 C ATOM 1213 CB TYR A 78 -1.583 -8.637 27.147 1.00 0.00 C ATOM 1214 CD1 TYR A 78 -1.359 -7.013 29.122 1.00 0.00 C ATOM 1215 CD2 TYR A 78 -0.129 -6.528 27.126 1.00 0.00 C ATOM 1216 CE1 TYR A 78 -0.840 -5.887 29.724 1.00 0.00 C ATOM 1217 CE2 TYR A 78 0.389 -5.394 27.729 1.00 0.00 C ATOM 1218 CG TYR A 78 -1.016 -7.364 27.806 1.00 0.00 C ATOM 1219 CZ TYR A 78 0.032 -5.079 29.027 1.00 0.00 C ATOM 1229 N TYR A 78 -1.254 -11.048 26.625 1.00 0.00 N ATOM 1230 O TYR A 78 -1.240 -10.338 29.532 1.00 0.00 O ATOM 1231 OH TYR A 78 0.553 -3.950 29.634 1.00 0.00 O ATOM 0 H TYR A 78 -1.939 -11.500 27.231 1.00 0.00 H new ATOM 0 HA TYR A 78 0.277 -9.605 26.718 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.788 -8.429 26.097 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.536 -8.883 27.616 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.044 -7.639 29.674 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.158 -6.769 26.113 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -1.116 -5.639 30.738 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.071 -4.756 27.186 1.00 0.00 H new ATOM 0 HH TYR A 78 1.152 -3.490 29.010 1.00 0.00 H new ATOM 1232 C PHE A 79 1.483 -9.419 31.187 1.00 0.00 C ATOM 1233 CA PHE A 79 1.397 -10.721 30.376 1.00 0.00 C ATOM 1234 CB PHE A 79 2.745 -11.460 30.342 1.00 0.00 C ATOM 1235 CD1 PHE A 79 1.589 -13.564 29.549 1.00 0.00 C ATOM 1236 CD2 PHE A 79 3.865 -13.424 29.244 1.00 0.00 C ATOM 1237 CE1 PHE A 79 1.593 -14.827 28.995 1.00 0.00 C ATOM 1238 CE2 PHE A 79 3.860 -14.687 28.683 1.00 0.00 C ATOM 1239 CG PHE A 79 2.727 -12.844 29.683 1.00 0.00 C ATOM 1240 CZ PHE A 79 2.725 -15.383 28.563 1.00 0.00 C ATOM 1250 N PHE A 79 0.954 -10.418 29.018 1.00 0.00 N ATOM 1251 O PHE A 79 2.233 -8.505 30.825 1.00 0.00 O ATOM 0 H PHE A 79 1.712 -10.370 28.337 1.00 0.00 H new ATOM 0 HA PHE A 79 0.676 -11.379 30.862 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.467 -10.836 29.815 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.105 -11.570 31.365 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.654 -13.139 29.884 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.799 -12.889 29.333 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.665 -15.374 28.910 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.787 -15.118 28.336 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.725 -16.371 28.127 1.00 0.00 H new ATOM 1252 C GLU A 80 1.664 -7.607 33.800 1.00 0.00 C ATOM 1253 CA GLU A 80 0.431 -8.158 33.050 1.00 0.00 C ATOM 1254 CB GLU A 80 -0.733 -8.439 34.042 1.00 0.00 C ATOM 1255 CD GLU A 80 -2.391 -7.523 35.784 1.00 0.00 C ATOM 1256 CG GLU A 80 -1.173 -7.228 34.891 1.00 0.00 C ATOM 1263 N GLU A 80 0.730 -9.385 32.294 1.00 0.00 N ATOM 1264 O GLU A 80 1.938 -6.403 33.737 1.00 0.00 O ATOM 1265 OE1 GLU A 80 -3.525 -7.125 35.430 1.00 0.00 O ATOM 1266 OE2 GLU A 80 -2.219 -8.156 36.847 1.00 0.00 O ATOM 0 H GLU A 80 0.305 -10.220 32.697 1.00 0.00 H new ATOM 0 HA GLU A 80 0.135 -7.389 32.337 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.593 -8.799 33.477 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.432 -9.244 34.713 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.340 -6.910 35.518 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.410 -6.395 34.229 1.00 0.00 H new ATOM 1267 C THR A 81 4.636 -7.394 34.599 1.00 0.00 C ATOM 1268 CA THR A 81 3.526 -8.130 35.374 1.00 0.00 C ATOM 1269 CB THR A 81 4.145 -9.410 36.027 1.00 0.00 C ATOM 1270 CG2 THR A 81 4.772 -9.126 37.402 1.00 0.00 C ATOM 1278 N THR A 81 2.401 -8.502 34.483 1.00 0.00 N ATOM 1279 O THR A 81 5.184 -6.385 35.047 1.00 0.00 O ATOM 1280 OG1 THR A 81 3.149 -10.412 36.171 1.00 0.00 O ATOM 0 H THR A 81 2.236 -9.507 34.435 1.00 0.00 H new ATOM 0 HA THR A 81 3.126 -7.468 36.142 1.00 0.00 H new ATOM 0 HB THR A 81 4.938 -9.752 35.362 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.392 -11.194 35.633 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.187 -10.048 37.810 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.566 -8.387 37.294 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.008 -8.741 38.078 1.00 0.00 H new ATOM 1281 C LEU A 82 5.524 -6.564 31.435 1.00 0.00 C ATOM 1282 CA LEU A 82 6.017 -7.513 32.539 1.00 0.00 C ATOM 1283 CB LEU A 82 6.734 -8.772 31.934 1.00 0.00 C ATOM 1284 CD1 LEU A 82 6.499 -10.837 30.414 1.00 0.00 C ATOM 1285 CD2 LEU A 82 5.408 -10.874 32.673 1.00 0.00 C ATOM 1286 CG LEU A 82 5.820 -9.975 31.485 1.00 0.00 C ATOM 1298 N LEU A 82 4.907 -7.929 33.408 1.00 0.00 N ATOM 1299 O LEU A 82 6.347 -5.989 30.710 1.00 0.00 O ATOM 0 H LEU A 82 4.349 -8.683 33.008 1.00 0.00 H new ATOM 0 HA LEU A 82 6.743 -6.965 33.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.314 -8.448 31.070 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.444 -9.144 32.673 1.00 0.00 H new ATOM 0 HG LEU A 82 4.922 -9.523 31.063 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.837 -11.655 30.132 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.715 -10.226 29.538 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.429 -11.244 30.810 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.779 -11.688 32.312 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.300 -11.286 33.144 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.853 -10.283 33.402 1.00 0.00 H new ATOM 1300 C GLU A 83 3.901 -5.848 28.904 1.00 0.00 C ATOM 1301 CA GLU A 83 3.504 -5.525 30.356 1.00 0.00 C ATOM 1302 CB GLU A 83 3.779 -4.035 30.691 1.00 0.00 C ATOM 1303 CD GLU A 83 3.566 -2.095 32.345 1.00 0.00 C ATOM 1304 CG GLU A 83 3.304 -3.586 32.086 1.00 0.00 C ATOM 1311 N GLU A 83 4.179 -6.416 31.329 1.00 0.00 N ATOM 1312 O GLU A 83 3.920 -4.966 28.043 1.00 0.00 O ATOM 1313 OE1 GLU A 83 2.604 -1.301 32.383 1.00 0.00 O ATOM 1314 OE2 GLU A 83 4.749 -1.707 32.479 1.00 0.00 O ATOM 0 H GLU A 83 3.525 -6.921 31.927 1.00 0.00 H new ATOM 0 HA GLU A 83 2.432 -5.705 30.441 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.850 -3.852 30.611 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.292 -3.413 29.940 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.237 -3.787 32.185 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.812 -4.178 32.847 1.00 0.00 H new ATOM 1315 C GLU A 84 3.720 -8.656 26.763 1.00 0.00 C ATOM 1316 CA GLU A 84 4.661 -7.602 27.340 1.00 0.00 C ATOM 1317 CB GLU A 84 6.095 -8.176 27.488 1.00 0.00 C ATOM 1318 CD GLU A 84 7.352 -6.239 26.363 1.00 0.00 C ATOM 1319 CG GLU A 84 7.212 -7.125 27.619 1.00 0.00 C ATOM 1326 N GLU A 84 4.164 -7.125 28.640 1.00 0.00 N ATOM 1327 O GLU A 84 3.243 -9.531 27.485 1.00 0.00 O ATOM 1328 OE1 GLU A 84 7.683 -6.785 25.283 1.00 0.00 O ATOM 1329 OE2 GLU A 84 7.134 -5.012 26.447 1.00 0.00 O ATOM 0 H GLU A 84 4.039 -7.870 29.325 1.00 0.00 H new ATOM 0 HA GLU A 84 4.696 -6.758 26.651 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.122 -8.822 28.365 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.309 -8.804 26.623 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.009 -6.492 28.483 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.159 -7.630 27.809 1.00 0.00 H new ATOM 1330 C ASP A 85 3.354 -10.601 24.051 1.00 0.00 C ATOM 1331 CA ASP A 85 2.569 -9.465 24.733 1.00 0.00 C ATOM 1332 CB ASP A 85 1.726 -8.671 23.678 1.00 0.00 C ATOM 1333 CG ASP A 85 2.436 -8.469 22.316 1.00 0.00 C ATOM 1338 N ASP A 85 3.488 -8.573 25.449 1.00 0.00 N ATOM 1339 O ASP A 85 4.554 -10.464 23.770 1.00 0.00 O ATOM 1340 OD1 ASP A 85 3.321 -7.592 22.214 1.00 0.00 O ATOM 1341 OD2 ASP A 85 2.120 -9.211 21.345 1.00 0.00 O ATOM 0 H ASP A 85 3.935 -7.881 24.848 1.00 0.00 H new ATOM 0 HA ASP A 85 1.880 -9.900 25.457 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.787 -9.198 23.510 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.474 -7.694 24.092 1.00 0.00 H new ATOM 1342 C VAL A 86 2.056 -13.009 21.861 1.00 0.00 C ATOM 1343 CA VAL A 86 3.141 -12.793 22.929 1.00 0.00 C ATOM 1344 CB VAL A 86 3.437 -14.160 23.678 1.00 0.00 C ATOM 1345 CG1 VAL A 86 4.088 -15.175 22.726 1.00 0.00 C ATOM 1346 CG2 VAL A 86 4.315 -13.966 24.925 1.00 0.00 C ATOM 1356 N VAL A 86 2.666 -11.721 23.814 1.00 0.00 N ATOM 1357 O VAL A 86 0.995 -13.589 22.154 1.00 0.00 O ATOM 0 H VAL A 86 1.756 -11.913 24.233 1.00 0.00 H new ATOM 0 HA VAL A 86 4.094 -12.485 22.499 1.00 0.00 H new ATOM 0 HB VAL A 86 2.475 -14.549 24.012 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.282 -16.104 23.262 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.417 -15.371 21.890 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.028 -14.770 22.350 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.488 -14.931 25.402 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.270 -13.528 24.633 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.810 -13.301 25.626 1.00 0.00 H new ATOM 1358 C SER A 87 1.148 -14.089 19.141 1.00 0.00 C ATOM 1359 CA SER A 87 1.355 -12.613 19.514 1.00 0.00 C ATOM 1360 CB SER A 87 1.857 -11.821 18.283 1.00 0.00 C ATOM 1366 N SER A 87 2.295 -12.479 20.642 1.00 0.00 N ATOM 1367 O SER A 87 2.121 -14.832 18.971 1.00 0.00 O ATOM 1368 OG SER A 87 1.966 -10.434 18.567 1.00 0.00 O ATOM 0 H SER A 87 3.138 -11.951 20.416 1.00 0.00 H new ATOM 0 HA SER A 87 0.398 -12.199 19.830 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.827 -12.207 17.971 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.172 -11.970 17.449 1.00 0.00 H new ATOM 0 HG SER A 87 1.948 -10.296 19.537 1.00 0.00 H new ATOM 1369 C LEU A 88 -0.008 -16.215 17.241 1.00 0.00 C ATOM 1370 CA LEU A 88 -0.502 -15.875 18.647 1.00 0.00 C ATOM 1371 CB LEU A 88 -2.036 -16.062 18.701 1.00 0.00 C ATOM 1372 CD1 LEU A 88 -2.012 -18.244 19.988 1.00 0.00 C ATOM 1373 CD2 LEU A 88 -4.082 -17.583 18.630 1.00 0.00 C ATOM 1374 CG LEU A 88 -2.538 -17.528 18.724 1.00 0.00 C ATOM 1386 N LEU A 88 -0.129 -14.496 19.014 1.00 0.00 N ATOM 1387 O LEU A 88 0.448 -17.326 16.981 1.00 0.00 O ATOM 0 H LEU A 88 -0.929 -13.880 19.162 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.031 -16.545 19.367 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.414 -15.555 19.589 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.474 -15.562 17.838 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.147 -18.053 17.852 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.369 -19.274 19.998 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.922 -18.237 19.983 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.374 -17.726 20.876 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.411 -18.622 18.648 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.517 -17.050 19.475 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.407 -17.116 17.700 1.00 0.00 H new ATOM 1388 C ILE A 89 1.904 -15.521 14.985 1.00 0.00 C ATOM 1389 CA ILE A 89 0.381 -15.311 14.970 1.00 0.00 C ATOM 1390 CB ILE A 89 0.012 -14.017 14.152 1.00 0.00 C ATOM 1391 CD1 ILE A 89 -2.488 -14.746 13.965 1.00 0.00 C ATOM 1392 CG1 ILE A 89 -1.498 -13.653 14.337 1.00 0.00 C ATOM 1393 CG2 ILE A 89 0.372 -14.164 12.652 1.00 0.00 C ATOM 1405 N ILE A 89 -0.110 -15.221 16.352 1.00 0.00 N ATOM 1406 O ILE A 89 2.436 -16.323 14.230 1.00 0.00 O ATOM 0 H ILE A 89 -0.540 -14.322 16.572 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.098 -16.159 14.481 1.00 0.00 H new ATOM 0 HB ILE A 89 0.610 -13.197 14.548 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.662 -13.378 15.379 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.717 -12.770 13.737 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.102 -13.251 12.122 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.443 -14.340 12.550 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.176 -15.005 12.227 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.504 -14.388 14.131 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.363 -15.008 12.914 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.307 -15.626 14.582 1.00 0.00 H new ATOM 1407 C GLY A 90 4.399 -16.395 16.617 1.00 0.00 C ATOM 1408 CA GLY A 90 4.003 -14.988 16.152 1.00 0.00 C ATOM 1412 N GLY A 90 2.569 -14.834 15.929 1.00 0.00 N ATOM 1413 O GLY A 90 5.475 -16.880 16.281 1.00 0.00 O ATOM 0 H GLY A 90 2.123 -14.161 16.553 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.534 -14.756 15.229 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.327 -14.262 16.898 1.00 0.00 H new ATOM 1414 C LEU A 91 3.576 -19.431 16.630 1.00 0.00 C ATOM 1415 CA LEU A 91 3.707 -18.452 17.817 1.00 0.00 C ATOM 1416 CB LEU A 91 2.681 -18.802 18.925 1.00 0.00 C ATOM 1417 CD1 LEU A 91 1.675 -18.307 21.226 1.00 0.00 C ATOM 1418 CD2 LEU A 91 4.195 -18.188 20.883 1.00 0.00 C ATOM 1419 CG LEU A 91 2.809 -17.977 20.240 1.00 0.00 C ATOM 1431 N LEU A 91 3.503 -17.060 17.365 1.00 0.00 N ATOM 1432 O LEU A 91 4.419 -20.320 16.440 1.00 0.00 O ATOM 0 H LEU A 91 2.620 -16.653 17.674 1.00 0.00 H new ATOM 0 HA LEU A 91 4.713 -18.546 18.226 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.677 -18.661 18.524 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.782 -19.860 19.169 1.00 0.00 H new ATOM 0 HG LEU A 91 2.714 -16.922 19.984 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.796 -17.713 22.132 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.714 -18.075 20.766 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.710 -19.367 21.479 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.263 -17.603 21.800 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.331 -19.244 21.115 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.971 -17.866 20.189 1.00 0.00 H new ATOM 1433 C LEU A 92 3.223 -19.898 13.516 1.00 0.00 C ATOM 1434 CA LEU A 92 2.193 -20.061 14.654 1.00 0.00 C ATOM 1435 CB LEU A 92 0.765 -19.704 14.159 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -1.721 -19.338 14.692 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -0.532 -21.438 15.549 1.00 0.00 C ATOM 1438 CG LEU A 92 -0.388 -19.936 15.194 1.00 0.00 C ATOM 1450 N LEU A 92 2.522 -19.218 15.823 1.00 0.00 N ATOM 1451 O LEU A 92 3.501 -20.856 12.788 1.00 0.00 O ATOM 0 H LEU A 92 1.867 -18.449 15.963 1.00 0.00 H new ATOM 0 HA LEU A 92 2.227 -21.107 14.960 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.755 -18.656 13.860 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.552 -20.292 13.266 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.122 -19.410 16.111 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.501 -19.515 15.432 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.604 -18.265 14.539 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.000 -19.811 13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.340 -21.566 16.269 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.758 -22.005 14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.400 -21.801 15.982 1.00 0.00 H new ATOM 1452 C GLU A 93 6.209 -18.478 12.757 1.00 0.00 C ATOM 1453 CA GLU A 93 4.751 -18.371 12.290 1.00 0.00 C ATOM 1454 CB GLU A 93 4.480 -16.947 11.718 1.00 0.00 C ATOM 1455 CD GLU A 93 2.602 -17.842 10.208 1.00 0.00 C ATOM 1456 CG GLU A 93 3.053 -16.734 11.171 1.00 0.00 C ATOM 1463 N GLU A 93 3.795 -18.689 13.376 1.00 0.00 N ATOM 1464 O GLU A 93 7.127 -18.455 11.928 1.00 0.00 O ATOM 1465 OE1 GLU A 93 3.121 -17.902 9.072 1.00 0.00 O ATOM 1466 OE2 GLU A 93 1.724 -18.650 10.581 1.00 0.00 O ATOM 0 H GLU A 93 3.612 -17.907 14.005 1.00 0.00 H new ATOM 0 HA GLU A 93 4.598 -19.110 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.667 -16.213 12.502 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.194 -16.749 10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.355 -16.681 12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.008 -15.774 10.657 1.00 0.00 H new ATOM 1467 C GLY A 94 8.401 -17.239 14.825 1.00 0.00 C ATOM 1468 CA GLY A 94 7.774 -18.625 14.653 1.00 0.00 C ATOM 1472 N GLY A 94 6.421 -18.581 14.080 1.00 0.00 N ATOM 1473 O GLY A 94 9.607 -17.129 15.092 1.00 0.00 O ATOM 0 H GLY A 94 5.672 -18.635 14.771 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.735 -19.122 15.622 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.414 -19.229 14.010 1.00 0.00 H new ATOM 1474 C ARG A 95 7.912 -14.610 16.502 1.00 0.00 C ATOM 1475 CA ARG A 95 7.970 -14.790 14.969 1.00 0.00 C ATOM 1476 CB ARG A 95 7.036 -13.759 14.256 1.00 0.00 C ATOM 1477 CD ARG A 95 6.524 -11.220 14.111 1.00 0.00 C ATOM 1478 CG ARG A 95 7.605 -12.317 14.193 1.00 0.00 C ATOM 1479 CZ ARG A 95 4.694 -10.333 15.585 1.00 0.00 C ATOM 1493 N ARG A 95 7.577 -16.175 14.658 1.00 0.00 N ATOM 1494 NE ARG A 95 5.847 -11.002 15.410 1.00 0.00 N ATOM 1495 NH1 ARG A 95 3.973 -9.928 14.543 1.00 0.00 N ATOM 1496 NH2 ARG A 95 4.257 -10.095 16.812 1.00 0.00 N ATOM 1497 O ARG A 95 6.961 -14.032 17.048 1.00 0.00 O ATOM 0 H ARG A 95 6.624 -16.259 14.304 1.00 0.00 H new ATOM 0 HA ARG A 95 8.981 -14.606 14.605 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.841 -14.105 13.241 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.077 -13.736 14.774 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.220 -12.141 15.075 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.260 -12.233 13.326 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.980 -10.287 13.780 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.784 -11.497 13.360 1.00 0.00 H new ATOM 0 HE ARG A 95 6.292 -11.392 16.241 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.293 -10.124 13.594 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.100 -9.422 14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.794 -10.419 17.616 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.383 -9.588 16.953 1.00 0.00 H new ATOM 1498 C ARG A 96 9.055 -13.853 19.345 1.00 0.00 C ATOM 1499 CA ARG A 96 8.995 -15.231 18.664 1.00 0.00 C ATOM 1500 CB ARG A 96 10.202 -16.116 19.061 1.00 0.00 C ATOM 1501 CD ARG A 96 11.250 -18.472 18.914 1.00 0.00 C ATOM 1502 CG ARG A 96 9.986 -17.611 18.729 1.00 0.00 C ATOM 1503 CZ ARG A 96 11.207 -20.966 18.576 1.00 0.00 C ATOM 1517 N ARG A 96 8.937 -15.144 17.183 1.00 0.00 N ATOM 1518 NE ARG A 96 10.905 -19.863 19.267 1.00 0.00 N ATOM 1519 NH1 ARG A 96 11.854 -20.898 17.418 1.00 0.00 N ATOM 1520 NH2 ARG A 96 10.881 -22.143 19.081 1.00 0.00 N ATOM 1521 O ARG A 96 8.906 -13.756 20.571 1.00 0.00 O ATOM 0 H ARG A 96 9.760 -15.533 16.724 1.00 0.00 H new ATOM 0 HA ARG A 96 8.070 -15.685 19.018 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.093 -15.759 18.545 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.389 -16.009 20.130 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.192 -18.005 19.364 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.643 -17.700 17.698 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.837 -18.463 17.995 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.875 -18.041 19.696 1.00 0.00 H new ATOM 0 HE ARG A 96 10.380 -19.997 20.131 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.130 -19.992 17.040 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.075 -21.752 16.906 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.408 -22.198 19.983 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.103 -22.997 18.569 1.00 0.00 H new ATOM 1522 C GLY A 97 9.252 -10.459 17.862 1.00 0.00 C ATOM 1523 CA GLY A 97 9.211 -11.436 19.009 1.00 0.00 C ATOM 1527 N GLY A 97 9.283 -12.806 18.544 1.00 0.00 N ATOM 1528 O GLY A 97 8.665 -10.715 16.806 1.00 0.00 O ATOM 0 H GLY A 97 9.522 -12.896 17.556 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.293 -11.292 19.578 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.041 -11.237 19.687 1.00 0.00 H new ATOM 1529 C SER A 98 11.303 -8.785 16.121 1.00 0.00 C ATOM 1530 CA SER A 98 10.175 -8.319 17.048 1.00 0.00 C ATOM 1531 CB SER A 98 10.529 -6.979 17.724 1.00 0.00 C ATOM 1537 N SER A 98 9.929 -9.329 18.083 1.00 0.00 N ATOM 1538 O SER A 98 12.159 -9.579 16.541 1.00 0.00 O ATOM 1539 OG SER A 98 9.518 -6.592 18.638 1.00 0.00 O ATOM 0 H SER A 98 10.325 -9.087 18.991 1.00 0.00 H new ATOM 0 HA SER A 98 9.279 -8.180 16.443 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.481 -7.071 18.246 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.655 -6.206 16.966 1.00 0.00 H new ATOM 0 HG SER A 98 9.681 -5.673 18.936 1.00 0.00 H new ATOM 1540 C ALA A 99 13.735 -8.265 14.380 1.00 0.00 C ATOM 1541 CA ALA A 99 12.329 -8.622 13.858 1.00 0.00 C ATOM 1542 CB ALA A 99 12.030 -7.897 12.537 1.00 0.00 C ATOM 1548 N ALA A 99 11.298 -8.294 14.866 1.00 0.00 N ATOM 1549 O ALA A 99 14.670 -9.074 14.299 1.00 0.00 O ATOM 0 H ALA A 99 10.579 -7.658 14.521 1.00 0.00 H new ATOM 0 HA ALA A 99 12.306 -9.696 13.672 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.796 -8.147 11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.055 -8.209 12.163 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.027 -6.820 12.706 1.00 0.00 H new ATOM 1550 C LYS A 100 15.478 -7.444 16.799 1.00 0.00 C ATOM 1551 CA LYS A 100 15.068 -6.571 15.600 1.00 0.00 C ATOM 1552 CB LYS A 100 14.904 -5.098 16.036 1.00 0.00 C ATOM 1553 CD LYS A 100 14.707 -2.627 15.320 1.00 0.00 C ATOM 1554 CE LYS A 100 15.881 -2.220 16.234 1.00 0.00 C ATOM 1555 CG LYS A 100 14.787 -4.101 14.864 1.00 0.00 C ATOM 1569 N LYS A 100 13.835 -7.067 14.978 1.00 0.00 N ATOM 1570 NZ LYS A 100 17.210 -2.548 15.651 1.00 0.00 N ATOM 1571 O LYS A 100 16.638 -7.812 16.906 1.00 0.00 O ATOM 0 H LYS A 100 13.055 -6.412 15.043 1.00 0.00 H new ATOM 0 HA LYS A 100 15.862 -6.627 14.855 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.015 -5.013 16.661 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.757 -4.817 16.654 1.00 0.00 H new ATOM 0 HG2 LYS A 100 15.646 -4.224 14.205 1.00 0.00 H new ATOM 0 HG3 LYS A 100 13.899 -4.342 14.279 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.694 -1.980 14.443 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.768 -2.465 15.849 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.829 -1.149 16.428 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.778 -2.723 17.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 17.960 -2.148 16.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 17.322 -3.581 15.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 17.279 -2.145 14.695 1.00 0.00 H new ATOM 1572 C TRP A 101 15.395 -9.999 18.417 1.00 0.00 C ATOM 1573 CA TRP A 101 14.773 -8.653 18.854 1.00 0.00 C ATOM 1574 CB TRP A 101 13.489 -8.901 19.707 1.00 0.00 C ATOM 1575 CD1 TRP A 101 14.335 -9.423 22.087 1.00 0.00 C ATOM 1576 CD2 TRP A 101 13.486 -11.196 21.020 1.00 0.00 C ATOM 1577 CE2 TRP A 101 13.939 -11.607 22.283 1.00 0.00 C ATOM 1578 CE3 TRP A 101 12.910 -12.143 20.176 1.00 0.00 C ATOM 1579 CG TRP A 101 13.751 -9.790 20.908 1.00 0.00 C ATOM 1580 CH2 TRP A 101 13.275 -13.835 21.862 1.00 0.00 C ATOM 1581 CZ2 TRP A 101 13.850 -12.928 22.707 1.00 0.00 C ATOM 1582 CZ3 TRP A 101 12.808 -13.451 20.601 1.00 0.00 C ATOM 1593 N TRP A 101 14.503 -7.792 17.676 1.00 0.00 N ATOM 1594 NE1 TRP A 101 14.459 -10.511 22.910 1.00 0.00 N ATOM 1595 O TRP A 101 16.429 -10.406 18.934 1.00 0.00 O ATOM 0 H TRP A 101 13.532 -7.493 17.591 1.00 0.00 H new ATOM 0 HA TRP A 101 15.487 -8.120 19.483 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.092 -7.944 20.047 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.724 -9.359 19.080 1.00 0.00 H new ATOM 0 HD1 TRP A 101 14.653 -8.421 22.334 1.00 0.00 H new ATOM 0 HE1 TRP A 101 14.873 -10.504 23.842 1.00 0.00 H new ATOM 0 HE3 TRP A 101 12.547 -11.856 19.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 14.224 -13.228 23.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 12.361 -14.189 19.951 1.00 0.00 H new ATOM 0 HH2 TRP A 101 13.180 -14.865 22.173 1.00 0.00 H new ATOM 1596 C MET A 102 16.546 -11.896 16.177 1.00 0.00 C ATOM 1597 CA MET A 102 15.196 -11.963 16.928 1.00 0.00 C ATOM 1598 CB MET A 102 14.085 -12.583 16.033 1.00 0.00 C ATOM 1599 CE MET A 102 11.184 -12.216 14.609 1.00 0.00 C ATOM 1600 CG MET A 102 12.785 -12.924 16.785 1.00 0.00 C ATOM 1610 N MET A 102 14.775 -10.638 17.419 1.00 0.00 N ATOM 1611 O MET A 102 17.236 -12.913 16.071 1.00 0.00 O ATOM 1612 SD MET A 102 11.479 -13.584 15.728 1.00 0.00 S ATOM 0 H MET A 102 13.968 -10.255 16.927 1.00 0.00 H new ATOM 0 HA MET A 102 15.347 -12.609 17.793 1.00 0.00 H new ATOM 0 HB2 MET A 102 13.853 -11.887 15.227 1.00 0.00 H new ATOM 0 HB3 MET A 102 14.472 -13.490 15.569 1.00 0.00 H new ATOM 0 HG2 MET A 102 13.009 -13.651 17.566 1.00 0.00 H new ATOM 0 HG3 MET A 102 12.418 -12.026 17.281 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.413 -12.493 13.891 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.855 -11.346 15.177 1.00 0.00 H new ATOM 0 HE3 MET A 102 12.105 -11.975 14.078 1.00 0.00 H new