USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 631 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 Single : A 18 THR OG1 : rot 84:sc= -0.0411 USER MOD Single : A 27 THR OG1 : rot 91:sc= 0.0679 USER MOD Single : A 28 SER OG : rot 62:sc= -0.914 USER MOD Single : A 29 THR OG1 : rot 97:sc= 0.969 USER MOD Single : A 31 THR OG1 : rot 77:sc= 0.935 USER MOD Single : A 35 HIS : no HD1:sc=-0.00719 X(o=-0.0072,f=-0.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 62 ASN : amide:sc= -6.35! C(o=-6.4!,f=-13!) USER MOD Single : A 65 ASN : amide:sc= -3.69! C(o=-3.7!,f=-3.4!) USER MOD Single : A 68 THR OG1 : rot -82:sc= 0.457 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00928 USER MOD Single : A 80 HIS : no HD1:sc= -26.5! C(o=-25!,f=-40!) USER MOD Single : A 82 ASN : amide:sc= -3.66! C(o=-3.7!,f=-5.5!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 0.448 12.010 1.341 1.00 0.00 N ATOM 201 CA ARG A 14 0.027 10.759 0.733 1.00 0.00 C ATOM 202 C ARG A 14 0.815 9.590 1.326 1.00 0.00 C ATOM 203 O ARG A 14 0.239 8.559 1.670 1.00 0.00 O ATOM 204 CB ARG A 14 0.233 10.787 -0.783 1.00 0.00 C ATOM 205 CG ARG A 14 -0.703 9.800 -1.482 1.00 0.00 C ATOM 206 CD ARG A 14 -0.304 9.608 -2.946 1.00 0.00 C ATOM 207 NE ARG A 14 -1.231 8.659 -3.604 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.257 8.425 -4.933 1.00 0.00 C ATOM 209 NH1 ARG A 14 -0.407 9.070 -5.759 1.00 0.00 N ATOM 210 NH2 ARG A 14 -2.127 7.556 -5.412 1.00 0.00 N ATOM 0 HA ARG A 14 -1.035 10.629 0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.052 11.794 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.268 10.540 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.677 8.841 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.729 10.164 -1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.323 10.566 -3.465 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.717 9.232 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.891 8.150 -3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.262 9.740 -5.380 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.433 8.887 -6.762 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.766 7.073 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.160 7.367 -6.414 1.00 0.00 H new ATOM 223 N ALA A 15 2.121 9.789 1.428 1.00 0.00 N ATOM 224 CA ALA A 15 2.994 8.763 1.974 1.00 0.00 C ATOM 225 C ALA A 15 2.445 8.298 3.324 1.00 0.00 C ATOM 226 O ALA A 15 1.980 7.167 3.453 1.00 0.00 O ATOM 227 CB ALA A 15 4.419 9.310 2.081 1.00 0.00 C ATOM 0 H ALA A 15 2.596 10.645 1.142 1.00 0.00 H new ATOM 0 HA ALA A 15 3.026 7.895 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.074 8.541 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.773 9.599 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.426 10.180 2.737 1.00 0.00 H new ATOM 233 N GLU A 16 2.518 9.195 4.297 1.00 0.00 N ATOM 234 CA GLU A 16 2.034 8.890 5.633 1.00 0.00 C ATOM 235 C GLU A 16 0.608 8.337 5.568 1.00 0.00 C ATOM 236 O GLU A 16 0.285 7.364 6.247 1.00 0.00 O ATOM 237 CB GLU A 16 2.102 10.124 6.536 1.00 0.00 C ATOM 238 CG GLU A 16 2.038 9.727 8.012 1.00 0.00 C ATOM 239 CD GLU A 16 2.436 10.899 8.912 1.00 0.00 C ATOM 240 OE1 GLU A 16 2.265 12.064 8.525 1.00 0.00 O ATOM 241 OE2 GLU A 16 2.939 10.564 10.052 1.00 0.00 O ATOM 0 H GLU A 16 2.905 10.132 4.187 1.00 0.00 H new ATOM 0 HA GLU A 16 2.680 8.127 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.025 10.670 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.278 10.797 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.029 9.399 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.702 8.882 8.194 1.00 0.00 H new ATOM 249 N ARG A 17 -0.206 8.983 4.745 1.00 0.00 N ATOM 250 CA ARG A 17 -1.589 8.568 4.583 1.00 0.00 C ATOM 251 C ARG A 17 -1.655 7.102 4.148 1.00 0.00 C ATOM 252 O ARG A 17 -2.317 6.289 4.792 1.00 0.00 O ATOM 253 CB ARG A 17 -2.305 9.434 3.545 1.00 0.00 C ATOM 254 CG ARG A 17 -3.772 9.021 3.405 1.00 0.00 C ATOM 255 CD ARG A 17 -4.588 9.480 4.615 1.00 0.00 C ATOM 256 NE ARG A 17 -4.694 10.956 4.624 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.590 11.655 3.895 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.466 11.016 3.091 1.00 0.00 N ATOM 259 NH2 ARG A 17 -5.596 12.972 3.980 1.00 0.00 N ATOM 0 H ARG A 17 0.066 9.790 4.184 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.087 8.688 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.245 10.482 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.804 9.342 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.190 9.452 2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.841 7.938 3.305 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.583 9.036 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.115 9.136 5.535 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.050 11.478 5.218 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.454 9.998 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.140 11.551 2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.930 13.447 4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.266 13.515 3.436 1.00 0.00 H new ATOM 272 N THR A 18 -0.961 6.809 3.058 1.00 0.00 N ATOM 273 CA THR A 18 -0.933 5.456 2.530 1.00 0.00 C ATOM 274 C THR A 18 -0.255 4.510 3.522 1.00 0.00 C ATOM 275 O THR A 18 -0.758 3.420 3.790 1.00 0.00 O ATOM 276 CB THR A 18 -0.248 5.496 1.163 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.185 6.167 0.324 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.113 4.108 0.534 1.00 0.00 C ATOM 0 H THR A 18 -0.414 7.486 2.526 1.00 0.00 H new ATOM 0 HA THR A 18 -1.941 5.064 2.393 1.00 0.00 H new ATOM 0 HB THR A 18 0.740 5.945 1.266 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.077 7.136 0.423 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.380 4.194 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.480 3.469 1.188 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.103 3.671 0.400 1.00 0.00 H new ATOM 286 N ALA A 19 0.878 4.961 4.041 1.00 0.00 N ATOM 287 CA ALA A 19 1.631 4.168 4.998 1.00 0.00 C ATOM 288 C ALA A 19 0.807 4.003 6.277 1.00 0.00 C ATOM 289 O ALA A 19 1.047 3.084 7.059 1.00 0.00 O ATOM 290 CB ALA A 19 2.985 4.832 5.258 1.00 0.00 C ATOM 0 H ALA A 19 1.293 5.866 3.817 1.00 0.00 H new ATOM 0 HA ALA A 19 1.827 3.172 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.550 4.237 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.543 4.899 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.828 5.833 5.660 1.00 0.00 H new ATOM 296 N GLU A 20 -0.146 4.907 6.450 1.00 0.00 N ATOM 297 CA GLU A 20 -1.006 4.872 7.620 1.00 0.00 C ATOM 298 C GLU A 20 -2.163 3.895 7.401 1.00 0.00 C ATOM 299 O GLU A 20 -2.333 2.947 8.166 1.00 0.00 O ATOM 300 CB GLU A 20 -1.528 6.270 7.959 1.00 0.00 C ATOM 301 CG GLU A 20 -2.616 6.205 9.032 1.00 0.00 C ATOM 302 CD GLU A 20 -2.407 7.289 10.092 1.00 0.00 C ATOM 303 OE1 GLU A 20 -2.116 6.971 11.255 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.555 8.499 9.670 1.00 0.00 O ATOM 0 H GLU A 20 -0.341 5.668 5.799 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.417 4.523 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.705 6.894 8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.927 6.741 7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.595 6.328 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.607 5.223 9.505 1.00 0.00 H new ATOM 312 N LEU A 21 -2.928 4.158 6.352 1.00 0.00 N ATOM 313 CA LEU A 21 -4.063 3.314 6.022 1.00 0.00 C ATOM 314 C LEU A 21 -3.591 1.866 5.877 1.00 0.00 C ATOM 315 O LEU A 21 -4.286 0.938 6.288 1.00 0.00 O ATOM 316 CB LEU A 21 -4.789 3.850 4.787 1.00 0.00 C ATOM 317 CG LEU A 21 -6.201 4.391 5.021 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.244 5.909 4.833 1.00 0.00 C ATOM 319 CD2 LEU A 21 -7.217 3.675 4.130 1.00 0.00 C ATOM 0 H LEU A 21 -2.784 4.945 5.719 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.797 3.332 6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.184 4.645 4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.845 3.051 4.048 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.478 4.186 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.259 6.268 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.566 6.383 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.938 6.159 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.212 4.078 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.954 3.827 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.210 2.608 4.355 1.00 0.00 H new ATOM 331 N VAL A 22 -2.411 1.717 5.292 1.00 0.00 N ATOM 332 CA VAL A 22 -1.838 0.398 5.088 1.00 0.00 C ATOM 333 C VAL A 22 -1.820 -0.357 6.419 1.00 0.00 C ATOM 334 O VAL A 22 -2.506 -1.367 6.572 1.00 0.00 O ATOM 335 CB VAL A 22 -0.451 0.522 4.453 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.371 -0.749 4.678 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.558 0.850 2.963 1.00 0.00 C ATOM 0 H VAL A 22 -1.836 2.489 4.953 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.448 -0.180 4.394 1.00 0.00 H new ATOM 0 HB VAL A 22 0.068 1.347 4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.352 -0.634 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.491 -0.920 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.143 -1.599 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.441 0.933 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.106 0.057 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.086 1.795 2.835 1.00 0.00 H new ATOM 347 N ARG A 23 -1.029 0.161 7.346 1.00 0.00 N ATOM 348 CA ARG A 23 -0.914 -0.452 8.659 1.00 0.00 C ATOM 349 C ARG A 23 -2.298 -0.819 9.197 1.00 0.00 C ATOM 350 O ARG A 23 -2.483 -1.897 9.761 1.00 0.00 O ATOM 351 CB ARG A 23 -0.223 0.490 9.648 1.00 0.00 C ATOM 352 CG ARG A 23 1.294 0.300 9.617 1.00 0.00 C ATOM 353 CD ARG A 23 1.921 0.672 10.963 1.00 0.00 C ATOM 354 NE ARG A 23 2.323 2.097 10.957 1.00 0.00 N ATOM 355 CZ ARG A 23 1.493 3.119 11.258 1.00 0.00 C ATOM 356 NH1 ARG A 23 0.207 2.881 11.592 1.00 0.00 N ATOM 357 NH2 ARG A 23 1.959 4.353 11.220 1.00 0.00 N ATOM 0 H ARG A 23 -0.461 0.998 7.215 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.311 -1.354 8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.469 1.523 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.596 0.303 10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.529 -0.737 9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.725 0.916 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.209 0.490 11.768 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.789 0.041 11.156 1.00 0.00 H new ATOM 0 HE ARG A 23 3.287 2.321 10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.144 1.924 11.618 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.413 3.658 11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.932 4.523 10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.346 5.137 11.444 1.00 0.00 H new ATOM 370 N LEU A 24 -3.235 0.097 9.004 1.00 0.00 N ATOM 371 CA LEU A 24 -4.597 -0.117 9.463 1.00 0.00 C ATOM 372 C LEU A 24 -5.235 -1.241 8.645 1.00 0.00 C ATOM 373 O LEU A 24 -5.941 -2.088 9.192 1.00 0.00 O ATOM 374 CB LEU A 24 -5.387 1.193 9.427 1.00 0.00 C ATOM 375 CG LEU A 24 -6.788 1.149 10.039 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.195 2.521 10.579 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.807 0.603 9.036 1.00 0.00 C ATOM 0 H LEU A 24 -3.078 0.990 8.536 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.602 -0.437 10.505 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.809 1.957 9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.476 1.512 8.389 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.769 0.463 10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.195 2.461 11.008 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.488 2.834 11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.192 3.247 9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.795 0.582 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.830 1.245 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.522 -0.407 8.742 1.00 0.00 H new ATOM 389 N VAL A 25 -4.965 -1.214 7.348 1.00 0.00 N ATOM 390 CA VAL A 25 -5.504 -2.221 6.450 1.00 0.00 C ATOM 391 C VAL A 25 -4.949 -3.593 6.837 1.00 0.00 C ATOM 392 O VAL A 25 -5.710 -4.523 7.098 1.00 0.00 O ATOM 393 CB VAL A 25 -5.203 -1.842 4.998 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.438 -3.029 4.062 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.029 -0.630 4.565 1.00 0.00 C ATOM 0 H VAL A 25 -4.380 -0.510 6.898 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.589 -2.272 6.541 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.150 -1.569 4.934 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.217 -2.733 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.786 -3.854 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.478 -3.347 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.796 -0.382 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.090 -0.863 4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.790 0.220 5.204 1.00 0.00 H new ATOM 405 N ARG A 26 -3.627 -3.676 6.862 1.00 0.00 N ATOM 406 CA ARG A 26 -2.962 -4.919 7.213 1.00 0.00 C ATOM 407 C ARG A 26 -3.619 -5.544 8.445 1.00 0.00 C ATOM 408 O ARG A 26 -4.021 -6.706 8.417 1.00 0.00 O ATOM 409 CB ARG A 26 -1.476 -4.687 7.499 1.00 0.00 C ATOM 410 CG ARG A 26 -0.642 -4.844 6.226 1.00 0.00 C ATOM 411 CD ARG A 26 0.847 -4.960 6.557 1.00 0.00 C ATOM 412 NE ARG A 26 1.449 -3.612 6.659 1.00 0.00 N ATOM 413 CZ ARG A 26 2.636 -3.355 7.248 1.00 0.00 C ATOM 414 NH1 ARG A 26 3.360 -4.356 7.794 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.079 -2.112 7.282 1.00 0.00 N ATOM 0 H ARG A 26 -2.999 -2.903 6.645 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.056 -5.596 6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.333 -3.688 7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.132 -5.395 8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.967 -5.730 5.681 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.807 -3.989 5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.978 -5.498 7.496 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.356 -5.537 5.785 1.00 0.00 H new ATOM 0 HE ARG A 26 0.934 -2.827 6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.011 -5.314 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.256 -4.154 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.526 -1.362 6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.974 -1.901 7.723 1.00 0.00 H new ATOM 428 N THR A 27 -3.709 -4.744 9.498 1.00 0.00 N ATOM 429 CA THR A 27 -4.311 -5.204 10.738 1.00 0.00 C ATOM 430 C THR A 27 -5.816 -5.412 10.555 1.00 0.00 C ATOM 431 O THR A 27 -6.351 -6.457 10.922 1.00 0.00 O ATOM 432 CB THR A 27 -3.966 -4.194 11.834 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.542 -4.218 11.892 1.00 0.00 O ATOM 434 CG2 THR A 27 -4.403 -4.665 13.223 1.00 0.00 C ATOM 0 H THR A 27 -3.375 -3.780 9.518 1.00 0.00 H new ATOM 0 HA THR A 27 -3.914 -6.175 11.034 1.00 0.00 H new ATOM 0 HB THR A 27 -4.440 -3.238 11.609 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.178 -3.544 11.280 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.135 -3.912 13.964 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.483 -4.815 13.233 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.904 -5.604 13.463 1.00 0.00 H new ATOM 442 N SER A 28 -6.456 -4.399 9.989 1.00 0.00 N ATOM 443 CA SER A 28 -7.888 -4.458 9.753 1.00 0.00 C ATOM 444 C SER A 28 -8.253 -5.777 9.070 1.00 0.00 C ATOM 445 O SER A 28 -9.109 -6.516 9.555 1.00 0.00 O ATOM 446 CB SER A 28 -8.356 -3.274 8.904 1.00 0.00 C ATOM 447 OG SER A 28 -8.582 -2.108 9.692 1.00 0.00 O ATOM 0 H SER A 28 -6.009 -3.533 9.687 1.00 0.00 H new ATOM 0 HA SER A 28 -8.395 -4.403 10.716 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.608 -3.057 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.275 -3.543 8.382 1.00 0.00 H new ATOM 0 HG SER A 28 -7.744 -1.836 10.121 1.00 0.00 H new ATOM 453 N THR A 29 -7.585 -6.034 7.954 1.00 0.00 N ATOM 454 CA THR A 29 -7.828 -7.251 7.200 1.00 0.00 C ATOM 455 C THR A 29 -7.616 -8.480 8.087 1.00 0.00 C ATOM 456 O THR A 29 -8.530 -9.282 8.271 1.00 0.00 O ATOM 457 CB THR A 29 -6.925 -7.230 5.965 1.00 0.00 C ATOM 458 OG1 THR A 29 -6.946 -5.869 5.543 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.529 -7.995 4.785 1.00 0.00 C ATOM 0 H THR A 29 -6.876 -5.419 7.555 1.00 0.00 H new ATOM 0 HA THR A 29 -8.863 -7.307 6.863 1.00 0.00 H new ATOM 0 HB THR A 29 -5.955 -7.658 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.156 -5.406 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.848 -7.949 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.686 -9.036 5.068 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.483 -7.546 4.510 1.00 0.00 H new ATOM 467 N ALA A 30 -6.404 -8.588 8.612 1.00 0.00 N ATOM 468 CA ALA A 30 -6.060 -9.705 9.475 1.00 0.00 C ATOM 469 C ALA A 30 -7.092 -9.812 10.600 1.00 0.00 C ATOM 470 O ALA A 30 -7.467 -10.912 11.001 1.00 0.00 O ATOM 471 CB ALA A 30 -4.637 -9.522 10.005 1.00 0.00 C ATOM 0 H ALA A 30 -5.649 -7.921 8.456 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.082 -10.641 8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.379 -10.360 10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.939 -9.482 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.577 -8.593 10.572 1.00 0.00 H new ATOM 477 N THR A 31 -7.521 -8.653 11.078 1.00 0.00 N ATOM 478 CA THR A 31 -8.501 -8.601 12.149 1.00 0.00 C ATOM 479 C THR A 31 -9.815 -9.246 11.701 1.00 0.00 C ATOM 480 O THR A 31 -10.451 -9.965 12.469 1.00 0.00 O ATOM 481 CB THR A 31 -8.656 -7.141 12.578 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.375 -6.794 13.096 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.597 -6.979 13.774 1.00 0.00 C ATOM 0 H THR A 31 -7.207 -7.742 10.743 1.00 0.00 H new ATOM 0 HA THR A 31 -8.172 -9.176 13.015 1.00 0.00 H new ATOM 0 HB THR A 31 -9.030 -6.554 11.739 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.754 -6.638 12.354 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.672 -5.924 14.038 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.585 -7.359 13.514 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.205 -7.539 14.624 1.00 0.00 H new ATOM 491 N VAL A 32 -10.181 -8.964 10.459 1.00 0.00 N ATOM 492 CA VAL A 32 -11.407 -9.508 9.899 1.00 0.00 C ATOM 493 C VAL A 32 -11.384 -11.033 10.016 1.00 0.00 C ATOM 494 O VAL A 32 -12.430 -11.678 9.969 1.00 0.00 O ATOM 495 CB VAL A 32 -11.585 -9.021 8.459 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.870 -9.581 7.847 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.565 -7.493 8.390 1.00 0.00 C ATOM 0 H VAL A 32 -9.651 -8.366 9.825 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.273 -9.153 10.458 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.745 -9.393 7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.973 -9.220 6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.827 -10.670 7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.727 -9.252 8.436 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.693 -7.174 7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.376 -7.091 8.997 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.611 -7.124 8.768 1.00 0.00 H new ATOM 507 N LEU A 33 -10.180 -11.565 10.167 1.00 0.00 N ATOM 508 CA LEU A 33 -10.007 -13.002 10.291 1.00 0.00 C ATOM 509 C LEU A 33 -9.850 -13.367 11.769 1.00 0.00 C ATOM 510 O LEU A 33 -9.179 -14.342 12.103 1.00 0.00 O ATOM 511 CB LEU A 33 -8.849 -13.481 9.413 1.00 0.00 C ATOM 512 CG LEU A 33 -9.168 -13.675 7.929 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.287 -14.702 7.739 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.496 -12.339 7.259 1.00 0.00 C ATOM 0 H LEU A 33 -9.315 -11.026 10.206 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.891 -13.525 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.033 -12.763 9.498 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.484 -14.427 9.812 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.280 -14.072 7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.495 -14.821 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.977 -15.659 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.187 -14.358 8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.719 -12.506 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.362 -11.890 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.642 -11.668 7.348 1.00 0.00 H new ATOM 526 N GLY A 34 -10.480 -12.564 12.613 1.00 0.00 N ATOM 527 CA GLY A 34 -10.418 -12.790 14.048 1.00 0.00 C ATOM 528 C GLY A 34 -8.985 -13.085 14.495 1.00 0.00 C ATOM 529 O GLY A 34 -8.743 -14.053 15.214 1.00 0.00 O ATOM 0 H GLY A 34 -11.036 -11.756 12.332 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.794 -11.913 14.574 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.066 -13.625 14.317 1.00 0.00 H new ATOM 533 N HIS A 35 -8.073 -12.232 14.051 1.00 0.00 N ATOM 534 CA HIS A 35 -6.671 -12.389 14.397 1.00 0.00 C ATOM 535 C HIS A 35 -6.077 -11.028 14.763 1.00 0.00 C ATOM 536 O HIS A 35 -6.304 -10.040 14.066 1.00 0.00 O ATOM 537 CB HIS A 35 -5.908 -13.086 13.269 1.00 0.00 C ATOM 538 CG HIS A 35 -5.661 -14.556 13.510 1.00 0.00 C ATOM 539 ND1 HIS A 35 -4.955 -15.029 14.602 1.00 0.00 N ATOM 540 CD2 HIS A 35 -6.035 -15.652 12.789 1.00 0.00 C ATOM 541 CE1 HIS A 35 -4.911 -16.351 14.531 1.00 0.00 C ATOM 542 NE2 HIS A 35 -5.581 -16.735 13.407 1.00 0.00 N ATOM 0 H HIS A 35 -8.278 -11.430 13.455 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.578 -13.033 15.271 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.467 -12.970 12.340 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.950 -12.585 13.129 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.604 -15.640 11.871 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.429 -17.009 15.239 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.712 -17.697 13.093 1.00 0.00 H new ATOM 550 N ASP A 36 -5.327 -11.019 15.855 1.00 0.00 N ATOM 551 CA ASP A 36 -4.698 -9.795 16.321 1.00 0.00 C ATOM 552 C ASP A 36 -3.182 -9.908 16.150 1.00 0.00 C ATOM 553 O ASP A 36 -2.453 -10.065 17.129 1.00 0.00 O ATOM 554 CB ASP A 36 -4.990 -9.556 17.804 1.00 0.00 C ATOM 555 CG ASP A 36 -6.238 -8.719 18.091 1.00 0.00 C ATOM 556 OD1 ASP A 36 -7.356 -9.249 18.180 1.00 0.00 O ATOM 557 OD2 ASP A 36 -6.026 -7.454 18.226 1.00 0.00 O ATOM 0 H ASP A 36 -5.141 -11.840 16.431 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.098 -8.967 15.736 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.097 -10.522 18.298 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.128 -9.062 18.253 1.00 0.00 H new ATOM 563 N ASP A 37 -2.752 -9.825 14.900 1.00 0.00 N ATOM 564 CA ASP A 37 -1.335 -9.916 14.588 1.00 0.00 C ATOM 565 C ASP A 37 -1.131 -9.681 13.090 1.00 0.00 C ATOM 566 O ASP A 37 -1.670 -10.415 12.264 1.00 0.00 O ATOM 567 CB ASP A 37 -0.785 -11.302 14.928 1.00 0.00 C ATOM 568 CG ASP A 37 0.310 -11.319 15.997 1.00 0.00 C ATOM 569 OD1 ASP A 37 1.510 -11.298 15.682 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.116 -11.355 17.214 1.00 0.00 O ATOM 0 H ASP A 37 -3.359 -9.696 14.091 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.810 -9.165 15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.609 -11.931 15.264 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.390 -11.753 14.018 1.00 0.00 H new ATOM 576 N PRO A 38 -0.331 -8.626 12.778 1.00 0.00 N ATOM 577 CA PRO A 38 -0.049 -8.285 11.394 1.00 0.00 C ATOM 578 C PRO A 38 0.949 -9.269 10.779 1.00 0.00 C ATOM 579 O PRO A 38 1.100 -9.324 9.559 1.00 0.00 O ATOM 580 CB PRO A 38 0.474 -6.859 11.439 1.00 0.00 C ATOM 581 CG PRO A 38 0.904 -6.618 12.877 1.00 0.00 C ATOM 582 CD PRO A 38 0.324 -7.734 13.730 1.00 0.00 C ATOM 0 HA PRO A 38 -0.930 -8.352 10.756 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.312 -6.728 10.754 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.298 -6.150 11.138 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.991 -6.605 12.953 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.548 -5.648 13.224 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.104 -8.253 14.287 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.385 -7.346 14.461 1.00 0.00 H new ATOM 590 N LYS A 39 1.603 -10.021 11.651 1.00 0.00 N ATOM 591 CA LYS A 39 2.582 -11.000 11.209 1.00 0.00 C ATOM 592 C LYS A 39 1.965 -11.874 10.115 1.00 0.00 C ATOM 593 O LYS A 39 2.683 -12.469 9.313 1.00 0.00 O ATOM 594 CB LYS A 39 3.120 -11.795 12.401 1.00 0.00 C ATOM 595 CG LYS A 39 4.423 -11.185 12.922 1.00 0.00 C ATOM 596 CD LYS A 39 5.085 -12.104 13.951 1.00 0.00 C ATOM 597 CE LYS A 39 6.593 -11.857 14.018 1.00 0.00 C ATOM 598 NZ LYS A 39 7.304 -13.091 14.420 1.00 0.00 N ATOM 0 H LYS A 39 1.475 -9.973 12.662 1.00 0.00 H new ATOM 0 HA LYS A 39 3.447 -10.503 10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.377 -11.810 13.198 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.291 -12.830 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.106 -11.012 12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.219 -10.214 13.374 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.642 -11.936 14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.895 -13.145 13.690 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.956 -11.522 13.046 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.805 -11.060 14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.326 -12.905 14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.970 -13.394 15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.116 -13.842 13.726 1.00 0.00 H new ATOM 611 N ALA A 40 0.641 -11.923 10.118 1.00 0.00 N ATOM 612 CA ALA A 40 -0.081 -12.714 9.136 1.00 0.00 C ATOM 613 C ALA A 40 -0.434 -11.832 7.937 1.00 0.00 C ATOM 614 O ALA A 40 -1.482 -12.009 7.319 1.00 0.00 O ATOM 615 CB ALA A 40 -1.318 -13.333 9.789 1.00 0.00 C ATOM 0 H ALA A 40 0.049 -11.428 10.785 1.00 0.00 H new ATOM 0 HA ALA A 40 0.539 -13.533 8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.860 -13.926 9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.011 -13.973 10.616 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.966 -12.541 10.164 1.00 0.00 H new ATOM 621 N VAL A 41 0.462 -10.901 7.644 1.00 0.00 N ATOM 622 CA VAL A 41 0.258 -9.991 6.530 1.00 0.00 C ATOM 623 C VAL A 41 1.506 -9.124 6.350 1.00 0.00 C ATOM 624 O VAL A 41 2.127 -8.713 7.329 1.00 0.00 O ATOM 625 CB VAL A 41 -1.014 -9.169 6.751 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.775 -8.053 7.770 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.537 -8.602 5.429 1.00 0.00 C ATOM 0 H VAL A 41 1.331 -10.757 8.159 1.00 0.00 H new ATOM 0 HA VAL A 41 0.112 -10.548 5.604 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.777 -9.834 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.694 -7.484 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.471 -8.488 8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.010 -7.390 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.441 -8.022 5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.778 -7.959 4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.764 -9.421 4.747 1.00 0.00 H new ATOM 637 N ARG A 42 1.835 -8.871 5.092 1.00 0.00 N ATOM 638 CA ARG A 42 2.998 -8.060 4.771 1.00 0.00 C ATOM 639 C ARG A 42 2.615 -6.945 3.795 1.00 0.00 C ATOM 640 O ARG A 42 3.474 -6.395 3.108 1.00 0.00 O ATOM 641 CB ARG A 42 4.109 -8.911 4.152 1.00 0.00 C ATOM 642 CG ARG A 42 5.267 -9.098 5.134 1.00 0.00 C ATOM 643 CD ARG A 42 6.346 -10.009 4.542 1.00 0.00 C ATOM 644 NE ARG A 42 6.711 -11.060 5.518 1.00 0.00 N ATOM 645 CZ ARG A 42 7.906 -11.688 5.541 1.00 0.00 C ATOM 646 NH1 ARG A 42 8.862 -11.375 4.641 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.125 -12.612 6.458 1.00 0.00 N ATOM 0 H ARG A 42 1.317 -9.213 4.283 1.00 0.00 H new ATOM 0 HA ARG A 42 3.365 -7.624 5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.710 -9.884 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.473 -8.435 3.242 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.700 -8.128 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.894 -9.527 6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.983 -10.466 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.226 -9.422 4.281 1.00 0.00 H new ATOM 0 HE ARG A 42 6.017 -11.326 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.684 -10.659 3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.762 -11.854 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.397 -12.842 7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.022 -13.096 6.490 1.00 0.00 H new ATOM 660 N ALA A 43 1.325 -6.645 3.766 1.00 0.00 N ATOM 661 CA ALA A 43 0.818 -5.606 2.886 1.00 0.00 C ATOM 662 C ALA A 43 0.648 -6.176 1.477 1.00 0.00 C ATOM 663 O ALA A 43 -0.421 -6.057 0.880 1.00 0.00 O ATOM 664 CB ALA A 43 1.763 -4.403 2.920 1.00 0.00 C ATOM 0 H ALA A 43 0.616 -7.103 4.338 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.160 -5.261 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.383 -3.623 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.826 -4.018 3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.754 -4.710 2.586 1.00 0.00 H new ATOM 670 N THR A 44 1.719 -6.781 0.985 1.00 0.00 N ATOM 671 CA THR A 44 1.702 -7.369 -0.344 1.00 0.00 C ATOM 672 C THR A 44 1.343 -8.855 -0.265 1.00 0.00 C ATOM 673 O THR A 44 1.945 -9.680 -0.950 1.00 0.00 O ATOM 674 CB THR A 44 3.062 -7.107 -0.994 1.00 0.00 C ATOM 675 OG1 THR A 44 4.004 -7.541 -0.017 1.00 0.00 O ATOM 676 CG2 THR A 44 3.354 -5.614 -1.157 1.00 0.00 C ATOM 0 H THR A 44 2.604 -6.877 1.483 1.00 0.00 H new ATOM 0 HA THR A 44 0.933 -6.913 -0.968 1.00 0.00 H new ATOM 0 HB THR A 44 3.098 -7.593 -1.969 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.913 -7.408 -0.358 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.331 -5.483 -1.623 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.588 -5.160 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.351 -5.134 -0.178 1.00 0.00 H new ATOM 684 N THR A 45 0.362 -9.150 0.576 1.00 0.00 N ATOM 685 CA THR A 45 -0.085 -10.521 0.753 1.00 0.00 C ATOM 686 C THR A 45 -1.389 -10.759 -0.010 1.00 0.00 C ATOM 687 O THR A 45 -2.230 -9.867 -0.103 1.00 0.00 O ATOM 688 CB THR A 45 -0.201 -10.790 2.255 1.00 0.00 C ATOM 689 OG1 THR A 45 0.917 -11.624 2.546 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.413 -11.656 2.602 1.00 0.00 C ATOM 0 H THR A 45 -0.136 -8.463 1.142 1.00 0.00 H new ATOM 0 HA THR A 45 0.632 -11.228 0.336 1.00 0.00 H new ATOM 0 HB THR A 45 -0.267 -9.842 2.790 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.920 -11.846 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.449 -11.817 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.324 -11.152 2.280 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.331 -12.617 2.094 1.00 0.00 H new ATOM 698 N PRO A 46 -1.520 -12.001 -0.550 1.00 0.00 N ATOM 699 CA PRO A 46 -2.708 -12.368 -1.301 1.00 0.00 C ATOM 700 C PRO A 46 -3.895 -12.611 -0.367 1.00 0.00 C ATOM 701 O PRO A 46 -3.985 -13.661 0.269 1.00 0.00 O ATOM 702 CB PRO A 46 -2.309 -13.606 -2.088 1.00 0.00 C ATOM 703 CG PRO A 46 -1.070 -14.156 -1.400 1.00 0.00 C ATOM 704 CD PRO A 46 -0.545 -13.083 -0.459 1.00 0.00 C ATOM 0 HA PRO A 46 -3.043 -11.576 -1.971 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.113 -14.342 -2.092 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.100 -13.357 -3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.311 -15.064 -0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.311 -14.423 -2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.463 -13.457 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.448 -12.747 -0.756 1.00 0.00 H new ATOM 712 N PHE A 47 -4.777 -11.623 -0.313 1.00 0.00 N ATOM 713 CA PHE A 47 -5.954 -11.717 0.533 1.00 0.00 C ATOM 714 C PHE A 47 -6.647 -13.070 0.362 1.00 0.00 C ATOM 715 O PHE A 47 -6.966 -13.737 1.345 1.00 0.00 O ATOM 716 CB PHE A 47 -6.911 -10.608 0.092 1.00 0.00 C ATOM 717 CG PHE A 47 -6.713 -9.283 0.832 1.00 0.00 C ATOM 718 CD1 PHE A 47 -5.460 -8.791 1.021 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.791 -8.599 1.301 1.00 0.00 C ATOM 720 CE1 PHE A 47 -5.276 -7.562 1.708 1.00 0.00 C ATOM 721 CE2 PHE A 47 -7.607 -7.370 1.988 1.00 0.00 C ATOM 722 CZ PHE A 47 -6.353 -6.877 2.177 1.00 0.00 C ATOM 0 H PHE A 47 -4.700 -10.754 -0.841 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.668 -11.616 1.580 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.785 -10.437 -0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.936 -10.946 0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.604 -9.335 0.649 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.786 -8.990 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.280 -7.171 1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.463 -6.826 2.361 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.213 -5.942 2.699 1.00 0.00 H new ATOM 732 N LYS A 48 -6.858 -13.436 -0.894 1.00 0.00 N ATOM 733 CA LYS A 48 -7.507 -14.698 -1.207 1.00 0.00 C ATOM 734 C LYS A 48 -6.925 -15.799 -0.319 1.00 0.00 C ATOM 735 O LYS A 48 -7.667 -16.528 0.339 1.00 0.00 O ATOM 736 CB LYS A 48 -7.404 -14.996 -2.704 1.00 0.00 C ATOM 737 CG LYS A 48 -5.986 -14.738 -3.218 1.00 0.00 C ATOM 738 CD LYS A 48 -6.011 -13.883 -4.487 1.00 0.00 C ATOM 739 CE LYS A 48 -6.254 -14.748 -5.726 1.00 0.00 C ATOM 740 NZ LYS A 48 -5.036 -14.807 -6.564 1.00 0.00 N ATOM 0 H LYS A 48 -6.591 -12.881 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.574 -14.643 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.679 -16.034 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.112 -14.374 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.402 -14.235 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.492 -15.687 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.794 -13.129 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.065 -13.351 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.543 -15.754 -5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.082 -14.339 -6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.218 -15.398 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.777 -13.847 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.255 -15.218 -6.013 1.00 0.00 H new ATOM 753 N GLU A 49 -5.603 -15.886 -0.328 1.00 0.00 N ATOM 754 CA GLU A 49 -4.914 -16.887 0.469 1.00 0.00 C ATOM 755 C GLU A 49 -5.142 -16.628 1.959 1.00 0.00 C ATOM 756 O GLU A 49 -5.226 -17.567 2.750 1.00 0.00 O ATOM 757 CB GLU A 49 -3.420 -16.916 0.140 1.00 0.00 C ATOM 758 CG GLU A 49 -3.156 -17.703 -1.145 1.00 0.00 C ATOM 759 CD GLU A 49 -2.256 -18.910 -0.874 1.00 0.00 C ATOM 760 OE1 GLU A 49 -2.740 -20.052 -0.852 1.00 0.00 O ATOM 761 OE2 GLU A 49 -1.012 -18.630 -0.681 1.00 0.00 O ATOM 0 H GLU A 49 -4.991 -15.280 -0.874 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.326 -17.866 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.049 -15.897 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.871 -17.367 0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.102 -18.038 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.686 -17.053 -1.884 1.00 0.00 H new ATOM 769 N LEU A 50 -5.235 -15.351 2.298 1.00 0.00 N ATOM 770 CA LEU A 50 -5.452 -14.957 3.680 1.00 0.00 C ATOM 771 C LEU A 50 -6.819 -15.465 4.142 1.00 0.00 C ATOM 772 O LEU A 50 -7.010 -15.760 5.321 1.00 0.00 O ATOM 773 CB LEU A 50 -5.271 -13.446 3.841 1.00 0.00 C ATOM 774 CG LEU A 50 -6.540 -12.646 4.137 1.00 0.00 C ATOM 775 CD1 LEU A 50 -7.103 -13.001 5.515 1.00 0.00 C ATOM 776 CD2 LEU A 50 -6.289 -11.144 3.991 1.00 0.00 C ATOM 0 H LEU A 50 -5.164 -14.575 1.640 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.705 -15.415 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.558 -13.269 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.823 -13.054 2.928 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.295 -12.919 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.005 -12.418 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.344 -14.063 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.361 -12.775 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.208 -10.599 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.511 -10.835 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.969 -10.926 2.972 1.00 0.00 H new ATOM 788 N GLY A 51 -7.736 -15.551 3.189 1.00 0.00 N ATOM 789 CA GLY A 51 -9.080 -16.018 3.483 1.00 0.00 C ATOM 790 C GLY A 51 -10.043 -14.842 3.660 1.00 0.00 C ATOM 791 O GLY A 51 -10.014 -14.159 4.683 1.00 0.00 O ATOM 0 H GLY A 51 -7.574 -15.305 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.430 -16.661 2.675 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.068 -16.623 4.390 1.00 0.00 H new ATOM 795 N PHE A 52 -10.873 -14.641 2.647 1.00 0.00 N ATOM 796 CA PHE A 52 -11.843 -13.559 2.677 1.00 0.00 C ATOM 797 C PHE A 52 -13.015 -13.848 1.738 1.00 0.00 C ATOM 798 O PHE A 52 -12.816 -14.299 0.611 1.00 0.00 O ATOM 799 CB PHE A 52 -11.121 -12.298 2.200 1.00 0.00 C ATOM 800 CG PHE A 52 -11.004 -11.206 3.265 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.031 -11.282 4.212 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.874 -10.161 3.266 1.00 0.00 C ATOM 803 CE1 PHE A 52 -9.923 -10.269 5.202 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.766 -9.148 4.255 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.793 -9.223 5.202 1.00 0.00 C ATOM 0 H PHE A 52 -10.894 -15.209 1.800 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.240 -13.443 3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.121 -12.570 1.862 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.650 -11.894 1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.340 -12.112 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.647 -10.102 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.151 -10.329 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.457 -8.318 4.255 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.711 -8.452 5.954 1.00 0.00 H new ATOM 815 N ASP A 53 -14.212 -13.576 2.236 1.00 0.00 N ATOM 816 CA ASP A 53 -15.417 -13.801 1.456 1.00 0.00 C ATOM 817 C ASP A 53 -16.339 -12.587 1.589 1.00 0.00 C ATOM 818 O ASP A 53 -16.097 -11.707 2.413 1.00 0.00 O ATOM 819 CB ASP A 53 -16.177 -15.030 1.958 1.00 0.00 C ATOM 820 CG ASP A 53 -15.298 -16.223 2.337 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.257 -16.641 3.504 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.627 -16.738 1.363 1.00 0.00 O ATOM 0 H ASP A 53 -14.373 -13.201 3.171 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.123 -13.959 0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.768 -14.743 2.827 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.878 -15.345 1.186 1.00 0.00 H new ATOM 828 N SER A 54 -17.377 -12.580 0.765 1.00 0.00 N ATOM 829 CA SER A 54 -18.337 -11.489 0.781 1.00 0.00 C ATOM 830 C SER A 54 -18.580 -11.026 2.218 1.00 0.00 C ATOM 831 O SER A 54 -18.869 -9.855 2.456 1.00 0.00 O ATOM 832 CB SER A 54 -19.656 -11.907 0.127 1.00 0.00 C ATOM 833 OG SER A 54 -19.447 -12.660 -1.065 1.00 0.00 O ATOM 0 H SER A 54 -17.574 -13.312 0.082 1.00 0.00 H new ATOM 0 HA SER A 54 -17.923 -10.661 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.238 -12.500 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.243 -11.018 -0.104 1.00 0.00 H new ATOM 0 HG SER A 54 -20.313 -12.909 -1.451 1.00 0.00 H new ATOM 839 N LEU A 55 -18.454 -11.970 3.140 1.00 0.00 N ATOM 840 CA LEU A 55 -18.657 -11.674 4.548 1.00 0.00 C ATOM 841 C LEU A 55 -17.408 -10.986 5.104 1.00 0.00 C ATOM 842 O LEU A 55 -17.492 -9.888 5.651 1.00 0.00 O ATOM 843 CB LEU A 55 -19.053 -12.940 5.310 1.00 0.00 C ATOM 844 CG LEU A 55 -20.546 -13.272 5.328 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.792 -14.715 4.885 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.156 -12.982 6.701 1.00 0.00 C ATOM 0 H LEU A 55 -18.214 -12.941 2.939 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.488 -10.980 4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.518 -13.784 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.710 -12.842 6.340 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.048 -12.624 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.861 -14.925 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.416 -14.854 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.275 -15.396 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.218 -13.227 6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.655 -13.587 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.030 -11.926 6.939 1.00 0.00 H new ATOM 858 N ALA A 56 -16.279 -11.661 4.945 1.00 0.00 N ATOM 859 CA ALA A 56 -15.015 -11.129 5.425 1.00 0.00 C ATOM 860 C ALA A 56 -14.708 -9.820 4.695 1.00 0.00 C ATOM 861 O ALA A 56 -14.307 -8.837 5.316 1.00 0.00 O ATOM 862 CB ALA A 56 -13.915 -12.175 5.234 1.00 0.00 C ATOM 0 H ALA A 56 -16.213 -12.572 4.490 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.072 -10.907 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.967 -11.776 5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.167 -13.075 5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.827 -12.421 4.176 1.00 0.00 H new ATOM 868 N ALA A 57 -14.908 -9.849 3.385 1.00 0.00 N ATOM 869 CA ALA A 57 -14.657 -8.677 2.564 1.00 0.00 C ATOM 870 C ALA A 57 -15.511 -7.513 3.070 1.00 0.00 C ATOM 871 O ALA A 57 -15.075 -6.363 3.046 1.00 0.00 O ATOM 872 CB ALA A 57 -14.939 -9.012 1.097 1.00 0.00 C ATOM 0 H ALA A 57 -15.241 -10.666 2.872 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.612 -8.375 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.751 -8.133 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.287 -9.825 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.980 -9.316 0.987 1.00 0.00 H new ATOM 878 N VAL A 58 -16.711 -7.851 3.517 1.00 0.00 N ATOM 879 CA VAL A 58 -17.630 -6.848 4.028 1.00 0.00 C ATOM 880 C VAL A 58 -17.089 -6.293 5.347 1.00 0.00 C ATOM 881 O VAL A 58 -16.977 -5.080 5.516 1.00 0.00 O ATOM 882 CB VAL A 58 -19.034 -7.441 4.159 1.00 0.00 C ATOM 883 CG1 VAL A 58 -19.706 -6.979 5.454 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.892 -7.094 2.941 1.00 0.00 C ATOM 0 H VAL A 58 -17.069 -8.806 3.536 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.710 -6.013 3.332 1.00 0.00 H new ATOM 0 HB VAL A 58 -18.937 -8.526 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.703 -7.415 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.110 -7.301 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -19.785 -5.892 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.885 -7.528 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.977 -6.011 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.426 -7.496 2.041 1.00 0.00 H new ATOM 894 N ARG A 59 -16.768 -7.208 6.250 1.00 0.00 N ATOM 895 CA ARG A 59 -16.242 -6.826 7.549 1.00 0.00 C ATOM 896 C ARG A 59 -15.117 -5.803 7.386 1.00 0.00 C ATOM 897 O ARG A 59 -15.055 -4.820 8.124 1.00 0.00 O ATOM 898 CB ARG A 59 -15.710 -8.044 8.308 1.00 0.00 C ATOM 899 CG ARG A 59 -16.524 -8.297 9.578 1.00 0.00 C ATOM 900 CD ARG A 59 -17.526 -9.434 9.369 1.00 0.00 C ATOM 901 NE ARG A 59 -18.082 -9.865 10.671 1.00 0.00 N ATOM 902 CZ ARG A 59 -18.868 -10.950 10.837 1.00 0.00 C ATOM 903 NH1 ARG A 59 -19.197 -11.725 9.782 1.00 0.00 N ATOM 904 NH2 ARG A 59 -19.308 -11.242 12.047 1.00 0.00 N ATOM 0 H ARG A 59 -16.862 -8.214 6.107 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.058 -6.385 8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.750 -8.923 7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.663 -7.886 8.568 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.853 -8.545 10.401 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.054 -7.388 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.331 -9.104 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.037 -10.275 8.877 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.857 -9.307 11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.851 -11.493 8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.791 -12.543 9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.053 -10.651 12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.903 -12.058 12.190 1.00 0.00 H new ATOM 917 N LEU A 60 -14.255 -6.068 6.415 1.00 0.00 N ATOM 918 CA LEU A 60 -13.135 -5.182 6.146 1.00 0.00 C ATOM 919 C LEU A 60 -13.665 -3.815 5.710 1.00 0.00 C ATOM 920 O LEU A 60 -13.352 -2.798 6.327 1.00 0.00 O ATOM 921 CB LEU A 60 -12.178 -5.821 5.138 1.00 0.00 C ATOM 922 CG LEU A 60 -10.967 -4.977 4.736 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.128 -4.603 5.960 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.134 -5.687 3.666 1.00 0.00 C ATOM 0 H LEU A 60 -14.310 -6.884 5.805 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.549 -5.023 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.818 -6.762 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.741 -6.066 4.237 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.330 -4.047 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.274 -4.003 5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.738 -4.029 6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.774 -5.510 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.280 -5.065 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.780 -6.642 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.748 -5.860 2.782 1.00 0.00 H new ATOM 936 N ARG A 61 -14.459 -3.835 4.649 1.00 0.00 N ATOM 937 CA ARG A 61 -15.036 -2.609 4.124 1.00 0.00 C ATOM 938 C ARG A 61 -15.680 -1.799 5.251 1.00 0.00 C ATOM 939 O ARG A 61 -15.589 -0.572 5.269 1.00 0.00 O ATOM 940 CB ARG A 61 -16.089 -2.910 3.055 1.00 0.00 C ATOM 941 CG ARG A 61 -16.832 -1.637 2.645 1.00 0.00 C ATOM 942 CD ARG A 61 -18.337 -1.779 2.884 1.00 0.00 C ATOM 943 NE ARG A 61 -18.913 -2.746 1.923 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.204 -2.741 1.526 1.00 0.00 C ATOM 945 NH1 ARG A 61 -21.064 -1.818 2.005 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.611 -3.652 0.663 1.00 0.00 N ATOM 0 H ARG A 61 -14.716 -4.680 4.139 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.230 -2.031 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.610 -3.353 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.800 -3.644 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.448 -0.789 3.213 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.646 -1.426 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.521 -2.114 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.824 -0.810 2.774 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.297 -3.461 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.741 -1.117 2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -22.037 -1.821 1.700 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.954 -4.346 0.306 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.583 -3.663 0.353 1.00 0.00 H new ATOM 959 N ASN A 62 -16.316 -2.518 6.164 1.00 0.00 N ATOM 960 CA ASN A 62 -16.974 -1.881 7.292 1.00 0.00 C ATOM 961 C ASN A 62 -15.918 -1.275 8.218 1.00 0.00 C ATOM 962 O ASN A 62 -16.035 -0.121 8.627 1.00 0.00 O ATOM 963 CB ASN A 62 -17.786 -2.896 8.100 1.00 0.00 C ATOM 964 CG ASN A 62 -18.541 -3.854 7.177 1.00 0.00 C ATOM 965 OD1 ASN A 62 -18.709 -5.028 7.463 1.00 0.00 O ATOM 966 ND2 ASN A 62 -18.984 -3.290 6.058 1.00 0.00 N ATOM 0 H ASN A 62 -16.390 -3.535 6.146 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.642 -1.112 6.903 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.121 -3.462 8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.493 -2.372 8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.500 -3.846 5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.808 -2.301 5.881 1.00 0.00 H new ATOM 973 N LEU A 63 -14.911 -2.081 8.522 1.00 0.00 N ATOM 974 CA LEU A 63 -13.835 -1.638 9.392 1.00 0.00 C ATOM 975 C LEU A 63 -13.101 -0.468 8.734 1.00 0.00 C ATOM 976 O LEU A 63 -13.038 0.625 9.296 1.00 0.00 O ATOM 977 CB LEU A 63 -12.922 -2.811 9.754 1.00 0.00 C ATOM 978 CG LEU A 63 -12.690 -3.045 11.248 1.00 0.00 C ATOM 979 CD1 LEU A 63 -11.916 -1.882 11.872 1.00 0.00 C ATOM 980 CD2 LEU A 63 -14.012 -3.309 11.973 1.00 0.00 C ATOM 0 H LEU A 63 -14.818 -3.038 8.181 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.236 -1.272 10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.344 -3.720 9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.955 -2.653 9.277 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.076 -3.938 11.363 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.765 -2.074 12.934 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.949 -1.783 11.380 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.483 -0.959 11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.819 -3.472 13.033 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.671 -2.449 11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.488 -4.194 11.551 1.00 0.00 H new ATOM 992 N LEU A 64 -12.565 -0.736 7.552 1.00 0.00 N ATOM 993 CA LEU A 64 -11.839 0.281 6.812 1.00 0.00 C ATOM 994 C LEU A 64 -12.706 1.536 6.692 1.00 0.00 C ATOM 995 O LEU A 64 -12.192 2.632 6.472 1.00 0.00 O ATOM 996 CB LEU A 64 -11.366 -0.271 5.466 1.00 0.00 C ATOM 997 CG LEU A 64 -10.323 -1.388 5.527 1.00 0.00 C ATOM 998 CD1 LEU A 64 -9.410 -1.353 4.300 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.530 -1.326 6.834 1.00 0.00 C ATOM 0 H LEU A 64 -12.619 -1.643 7.089 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.935 0.569 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.235 -0.642 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.953 0.552 4.883 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.845 -2.345 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.678 -2.157 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.008 -1.482 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.893 -0.394 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.795 -2.131 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.019 -0.366 6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.211 -1.437 7.678 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.007 1.334 6.843 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.950 2.435 6.754 1.00 0.00 C ATOM 1013 C ASN A 65 -14.550 3.525 7.750 1.00 0.00 C ATOM 1014 O ASN A 65 -14.823 4.704 7.529 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.368 1.976 7.100 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.413 2.888 6.455 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.343 4.104 6.527 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.384 2.235 5.823 1.00 0.00 N ATOM 0 H ASN A 65 -14.430 0.424 7.026 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.933 2.812 5.731 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.515 0.951 6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.500 1.975 8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.130 2.754 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.382 1.215 5.801 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.909 3.093 8.826 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.469 4.017 9.857 1.00 0.00 C ATOM 1027 C ALA A 66 -12.051 4.494 9.536 1.00 0.00 C ATOM 1028 O ALA A 66 -11.396 5.113 10.374 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.559 3.337 11.225 1.00 0.00 C ATOM 0 H ALA A 66 -13.684 2.115 9.006 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.114 4.895 9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.229 4.030 11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.591 3.043 11.418 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.922 2.453 11.234 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.619 4.189 8.322 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.291 4.579 7.880 1.00 0.00 C ATOM 1037 C ALA A 67 -10.403 5.356 6.566 1.00 0.00 C ATOM 1038 O ALA A 67 -9.392 5.727 5.972 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.410 3.335 7.748 1.00 0.00 C ATOM 0 H ALA A 67 -12.165 3.676 7.630 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.821 5.235 8.612 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.414 3.628 7.416 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.338 2.836 8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.849 2.654 7.019 1.00 0.00 H new ATOM 1045 N THR A 68 -11.641 5.578 6.151 1.00 0.00 N ATOM 1046 CA THR A 68 -11.899 6.304 4.919 1.00 0.00 C ATOM 1047 C THR A 68 -12.989 7.355 5.137 1.00 0.00 C ATOM 1048 O THR A 68 -12.740 8.551 4.997 1.00 0.00 O ATOM 1049 CB THR A 68 -12.246 5.284 3.833 1.00 0.00 C ATOM 1050 OG1 THR A 68 -13.277 4.492 4.418 1.00 0.00 O ATOM 1051 CG2 THR A 68 -11.111 4.290 3.579 1.00 0.00 C ATOM 0 H THR A 68 -12.477 5.268 6.646 1.00 0.00 H new ATOM 0 HA THR A 68 -11.018 6.858 4.595 1.00 0.00 H new ATOM 0 HB THR A 68 -12.484 5.807 2.907 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.877 3.805 4.991 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.409 3.589 2.800 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.219 4.830 3.260 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.895 3.743 4.496 1.00 0.00 H new ATOM 1059 N GLY A 69 -14.175 6.870 5.476 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.304 7.752 5.715 1.00 0.00 C ATOM 1061 C GLY A 69 -16.473 7.409 4.789 1.00 0.00 C ATOM 1062 O GLY A 69 -17.553 7.985 4.907 1.00 0.00 O ATOM 0 H GLY A 69 -14.378 5.877 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.622 7.668 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.001 8.787 5.557 1.00 0.00 H new ATOM 1066 N LEU A 70 -16.218 6.470 3.889 1.00 0.00 N ATOM 1067 CA LEU A 70 -17.236 6.043 2.944 1.00 0.00 C ATOM 1068 C LEU A 70 -17.525 4.555 3.151 1.00 0.00 C ATOM 1069 O LEU A 70 -17.065 3.959 4.124 1.00 0.00 O ATOM 1070 CB LEU A 70 -16.821 6.396 1.514 1.00 0.00 C ATOM 1071 CG LEU A 70 -15.390 6.024 1.120 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -15.357 5.353 -0.254 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.470 7.245 1.184 1.00 0.00 C ATOM 0 H LEU A 70 -15.321 5.993 3.794 1.00 0.00 H new ATOM 0 HA LEU A 70 -18.169 6.577 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -17.506 5.902 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.948 7.470 1.374 1.00 0.00 H new ATOM 0 HG LEU A 70 -15.014 5.299 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.328 5.099 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.960 4.445 -0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.759 6.036 -1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.459 6.954 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.834 8.011 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.461 7.641 2.199 1.00 0.00 H new ATOM 1085 N ARG A 71 -18.287 3.998 2.221 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.643 2.591 2.290 1.00 0.00 C ATOM 1087 C ARG A 71 -17.635 1.749 1.504 1.00 0.00 C ATOM 1088 O ARG A 71 -17.803 0.538 1.370 1.00 0.00 O ATOM 1089 CB ARG A 71 -20.046 2.350 1.728 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.987 1.821 2.812 1.00 0.00 C ATOM 1091 CD ARG A 71 -22.448 1.926 2.368 1.00 0.00 C ATOM 1092 NE ARG A 71 -23.234 2.659 3.386 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.368 4.002 3.416 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -22.767 4.772 2.484 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.094 4.551 4.372 1.00 0.00 N ATOM 0 H ARG A 71 -18.668 4.495 1.416 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.628 2.296 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.442 3.279 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.995 1.636 0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.744 0.782 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.841 2.386 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.509 2.441 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.865 0.930 2.222 1.00 0.00 H new ATOM 0 HE ARG A 71 -23.704 2.115 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -22.206 4.340 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -22.874 5.786 2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -24.543 3.962 5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.206 5.564 4.410 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.610 2.425 1.006 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.575 1.754 0.238 1.00 0.00 C ATOM 1110 C LEU A 72 -16.216 1.020 -0.942 1.00 0.00 C ATOM 1111 O LEU A 72 -17.407 0.714 -0.914 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.737 0.849 1.143 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.933 1.554 2.237 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.130 0.547 3.063 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -13.042 2.648 1.644 1.00 0.00 C ATOM 0 H LEU A 72 -16.474 3.430 1.119 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.879 2.482 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.402 0.126 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.045 0.284 0.518 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.634 2.041 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.568 1.075 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.810 -0.163 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.439 0.011 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.481 3.133 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.347 2.205 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.662 3.386 1.135 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.376 0.751 -1.977 1.00 0.00 N ATOM 1128 CA PRO A 73 -15.848 0.059 -3.164 1.00 0.00 C ATOM 1129 C PRO A 73 -16.041 -1.434 -2.887 1.00 0.00 C ATOM 1130 O PRO A 73 -15.148 -2.091 -2.356 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.796 0.335 -4.225 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.552 0.777 -3.473 1.00 0.00 C ATOM 1133 CD PRO A 73 -13.959 1.098 -2.044 1.00 0.00 C ATOM 0 HA PRO A 73 -16.827 0.408 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.597 -0.557 -4.819 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.131 1.109 -4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.798 -0.010 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.109 1.652 -3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.375 0.521 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.797 2.151 -1.813 1.00 0.00 H new ATOM 1141 N SER A 74 -17.214 -1.925 -3.261 1.00 0.00 N ATOM 1142 CA SER A 74 -17.536 -3.328 -3.060 1.00 0.00 C ATOM 1143 C SER A 74 -16.524 -4.208 -3.797 1.00 0.00 C ATOM 1144 O SER A 74 -16.412 -5.400 -3.516 1.00 0.00 O ATOM 1145 CB SER A 74 -18.956 -3.641 -3.534 1.00 0.00 C ATOM 1146 OG SER A 74 -19.185 -3.189 -4.866 1.00 0.00 O ATOM 0 H SER A 74 -17.952 -1.377 -3.702 1.00 0.00 H new ATOM 0 HA SER A 74 -17.484 -3.541 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.127 -4.716 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.674 -3.171 -2.863 1.00 0.00 H new ATOM 0 HG SER A 74 -20.102 -3.409 -5.133 1.00 0.00 H new ATOM 1152 N THR A 75 -15.812 -3.585 -4.725 1.00 0.00 N ATOM 1153 CA THR A 75 -14.813 -4.297 -5.504 1.00 0.00 C ATOM 1154 C THR A 75 -13.449 -4.226 -4.815 1.00 0.00 C ATOM 1155 O THR A 75 -12.491 -4.857 -5.260 1.00 0.00 O ATOM 1156 CB THR A 75 -14.811 -3.711 -6.918 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.434 -2.350 -6.729 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.215 -3.629 -7.520 1.00 0.00 C ATOM 0 H THR A 75 -15.907 -2.596 -4.955 1.00 0.00 H new ATOM 0 HA THR A 75 -15.050 -5.358 -5.576 1.00 0.00 H new ATOM 0 HB THR A 75 -14.175 -4.319 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.406 -1.895 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.157 -3.206 -8.523 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.648 -4.628 -7.572 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.842 -2.994 -6.895 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.405 -3.453 -3.740 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.174 -3.291 -2.985 1.00 0.00 C ATOM 1168 C LEU A 76 -11.531 -4.663 -2.767 1.00 0.00 C ATOM 1169 O LEU A 76 -10.389 -4.887 -3.165 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.437 -2.522 -1.689 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.246 -2.378 -0.740 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.397 -1.140 0.146 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.044 -3.652 0.083 1.00 0.00 C ATOM 0 H LEU A 76 -14.202 -2.932 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.459 -2.688 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.792 -1.525 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.245 -3.019 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.347 -2.236 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.537 -1.061 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.454 -0.249 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.307 -1.226 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.191 -3.523 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.939 -3.850 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.858 -4.492 -0.586 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.292 -5.543 -2.134 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.811 -6.886 -1.858 1.00 0.00 C ATOM 1187 C VAL A 77 -12.182 -7.806 -3.023 1.00 0.00 C ATOM 1188 O VAL A 77 -12.272 -9.021 -2.855 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.359 -7.373 -0.514 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.123 -8.874 -0.337 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.750 -6.581 0.645 1.00 0.00 C ATOM 0 H VAL A 77 -13.238 -5.352 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.724 -6.892 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.435 -7.201 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.522 -9.194 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.625 -9.418 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.053 -9.081 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.156 -6.946 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.667 -6.707 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.993 -5.524 0.531 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.387 -7.191 -4.178 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.746 -7.939 -5.371 1.00 0.00 C ATOM 1203 C PHE A 78 -11.975 -7.430 -6.590 1.00 0.00 C ATOM 1204 O PHE A 78 -12.249 -7.840 -7.718 1.00 0.00 O ATOM 1205 CB PHE A 78 -14.243 -7.722 -5.602 1.00 0.00 C ATOM 1206 CG PHE A 78 -15.047 -9.017 -5.731 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.759 -9.900 -6.724 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -16.051 -9.285 -4.853 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -15.505 -11.102 -6.844 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.797 -10.486 -4.973 1.00 0.00 C ATOM 1211 CZ PHE A 78 -16.509 -11.370 -5.966 1.00 0.00 C ATOM 0 H PHE A 78 -12.311 -6.183 -4.313 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.504 -8.993 -5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.647 -7.137 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -14.378 -7.131 -6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.963 -9.687 -7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -16.280 -8.584 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.275 -11.804 -7.632 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -17.594 -10.698 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 78 -17.077 -12.284 -6.057 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.026 -6.545 -6.323 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.213 -5.976 -7.385 1.00 0.00 C ATOM 1223 C ASP A 79 -8.845 -5.589 -6.821 1.00 0.00 C ATOM 1224 O ASP A 79 -8.137 -4.771 -7.407 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.862 -4.715 -7.960 1.00 0.00 C ATOM 1226 CG ASP A 79 -11.125 -4.753 -9.466 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.248 -4.419 -10.276 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -12.305 -5.151 -9.804 1.00 0.00 O ATOM 0 H ASP A 79 -10.802 -6.208 -5.387 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.116 -6.723 -8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.808 -4.544 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.221 -3.862 -7.740 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.513 -6.194 -5.691 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.241 -5.923 -5.042 1.00 0.00 C ATOM 1236 C HIS A 80 -6.528 -7.242 -4.739 1.00 0.00 C ATOM 1237 O HIS A 80 -7.116 -8.149 -4.152 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.441 -5.057 -3.796 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.508 -5.842 -2.507 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.598 -5.793 -1.656 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.610 -6.694 -1.935 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.356 -6.584 -0.621 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.123 -7.141 -0.795 1.00 0.00 N ATOM 0 H HIS A 80 -9.103 -6.871 -5.207 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.601 -5.350 -5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.624 -4.339 -3.730 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.361 -4.483 -3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.645 -6.960 -2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.019 -6.757 0.214 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.670 -7.793 -0.155 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.238 -7.309 -5.164 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.438 -8.502 -4.944 1.00 0.00 C ATOM 1253 C PRO A 81 -3.998 -8.605 -3.483 1.00 0.00 C ATOM 1254 O PRO A 81 -4.111 -9.666 -2.870 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.270 -8.376 -5.909 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.208 -6.907 -6.298 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.509 -6.254 -5.863 1.00 0.00 C ATOM 0 HA PRO A 81 -4.993 -9.421 -5.130 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.339 -8.696 -5.440 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.418 -9.006 -6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.358 -6.421 -5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.070 -6.803 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.325 -5.401 -5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.072 -5.884 -6.720 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.506 -7.489 -2.966 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.048 -7.441 -1.588 1.00 0.00 C ATOM 1267 C ASN A 82 -3.552 -6.154 -0.932 1.00 0.00 C ATOM 1268 O ASN A 82 -4.314 -5.402 -1.538 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.520 -7.442 -1.514 1.00 0.00 C ATOM 1270 CG ASN A 82 -0.928 -8.531 -2.411 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.403 -9.653 -2.464 1.00 0.00 O ATOM 1272 ND2 ASN A 82 0.132 -8.138 -3.112 1.00 0.00 N ATOM 0 H ASN A 82 -3.414 -6.611 -3.477 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.434 -8.321 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.137 -6.468 -1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.202 -7.602 -0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.598 -8.792 -3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 82 0.479 -7.183 -3.020 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.107 -5.940 0.297 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.503 -4.757 1.042 1.00 0.00 C ATOM 1281 C ALA A 83 -2.837 -3.525 0.426 1.00 0.00 C ATOM 1282 O ALA A 83 -3.484 -2.498 0.228 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.144 -4.937 2.518 1.00 0.00 C ATOM 0 H ALA A 83 -2.475 -6.566 0.796 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.582 -4.612 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.442 -4.049 3.076 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.666 -5.807 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.068 -5.083 2.616 1.00 0.00 H new ATOM 1289 N SER A 84 -1.551 -3.668 0.139 1.00 0.00 N ATOM 1290 CA SER A 84 -0.790 -2.580 -0.450 1.00 0.00 C ATOM 1291 C SER A 84 -1.605 -1.911 -1.559 1.00 0.00 C ATOM 1292 O SER A 84 -1.415 -0.731 -1.849 1.00 0.00 O ATOM 1293 CB SER A 84 0.547 -3.079 -1.002 1.00 0.00 C ATOM 1294 OG SER A 84 1.642 -2.291 -0.542 1.00 0.00 O ATOM 0 H SER A 84 -1.017 -4.521 0.304 1.00 0.00 H new ATOM 0 HA SER A 84 -0.580 -1.848 0.330 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.697 -4.117 -0.705 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.519 -3.060 -2.091 1.00 0.00 H new ATOM 0 HG SER A 84 2.477 -2.642 -0.915 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.497 -2.694 -2.148 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.342 -2.192 -3.218 1.00 0.00 C ATOM 1302 C ALA A 85 -4.568 -1.504 -2.614 1.00 0.00 C ATOM 1303 O ALA A 85 -4.961 -0.427 -3.058 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.721 -3.344 -4.152 1.00 0.00 C ATOM 0 H ALA A 85 -2.653 -3.672 -1.904 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.808 -1.451 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.355 -2.968 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.817 -3.780 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.261 -4.106 -3.590 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.138 -2.155 -1.610 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.311 -1.619 -0.941 1.00 0.00 C ATOM 1312 C VAL A 86 -6.050 -0.162 -0.553 1.00 0.00 C ATOM 1313 O VAL A 86 -6.864 0.715 -0.836 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.679 -2.499 0.255 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.615 -1.760 1.213 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.298 -3.820 -0.206 1.00 0.00 C ATOM 0 H VAL A 86 -4.809 -3.048 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.171 -1.628 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.761 -2.730 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.861 -2.408 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.123 -0.860 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.530 -1.485 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.550 -4.427 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.201 -3.617 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.584 -4.358 -0.829 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.911 0.051 0.091 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.533 1.386 0.521 1.00 0.00 C ATOM 1328 C ALA A 87 -4.701 2.360 -0.647 1.00 0.00 C ATOM 1329 O ALA A 87 -5.359 3.390 -0.511 1.00 0.00 O ATOM 1330 CB ALA A 87 -3.101 1.363 1.059 1.00 0.00 C ATOM 0 H ALA A 87 -4.238 -0.679 0.325 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.180 1.726 1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.817 2.365 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.041 0.679 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.423 1.029 0.274 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.095 2.000 -1.769 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.169 2.829 -2.960 1.00 0.00 C ATOM 1338 C GLY A 88 -5.621 3.168 -3.302 1.00 0.00 C ATOM 1339 O GLY A 88 -5.989 4.340 -3.371 1.00 0.00 O ATOM 0 H GLY A 88 -3.550 1.145 -1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.604 3.748 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.706 2.309 -3.799 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.407 2.121 -3.507 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.811 2.294 -3.841 1.00 0.00 C ATOM 1345 C PHE A 89 -8.498 3.237 -2.851 1.00 0.00 C ATOM 1346 O PHE A 89 -9.351 4.034 -3.238 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.465 0.914 -3.749 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.566 0.677 -4.785 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.433 1.678 -5.097 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.679 -0.534 -5.394 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.455 1.458 -6.058 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.701 -0.753 -6.355 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.567 0.247 -6.667 1.00 0.00 C ATOM 0 H PHE A 89 -6.099 1.150 -3.448 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.906 2.725 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.697 0.150 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.886 0.788 -2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.344 2.640 -4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.991 -1.329 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.144 2.252 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.790 -1.715 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.344 0.080 -7.398 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.100 3.115 -1.593 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.667 3.946 -0.545 1.00 0.00 C ATOM 1365 C LEU A 90 -8.065 5.350 -0.632 1.00 0.00 C ATOM 1366 O LEU A 90 -8.755 6.341 -0.400 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.485 3.283 0.822 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.151 1.917 0.999 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.142 1.489 2.468 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.563 1.915 0.409 1.00 0.00 C ATOM 0 H LEU A 90 -7.392 2.453 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.743 4.051 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.417 3.172 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.875 3.957 1.585 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.570 1.179 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.621 0.515 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.113 1.424 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.685 2.222 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.014 0.932 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.169 2.667 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.513 2.144 -0.656 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.783 5.390 -0.968 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.080 6.656 -1.089 1.00 0.00 C ATOM 1384 C ASP A 91 -6.628 7.425 -2.293 1.00 0.00 C ATOM 1385 O ASP A 91 -6.905 8.620 -2.197 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.583 6.435 -1.310 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.676 7.520 -0.725 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.843 8.106 -1.432 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.854 7.761 0.530 1.00 0.00 O ATOM 0 H ASP A 91 -6.213 4.566 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.229 7.215 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.304 5.476 -0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.396 6.365 -2.381 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.767 6.709 -3.399 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.276 7.309 -4.620 1.00 0.00 C ATOM 1397 C ALA A 92 -8.688 7.843 -4.370 1.00 0.00 C ATOM 1398 O ALA A 92 -9.067 8.882 -4.909 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.233 6.280 -5.751 1.00 0.00 C ATOM 0 H ALA A 92 -6.536 5.718 -3.475 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.654 8.151 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.615 6.730 -6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.205 5.955 -5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.849 5.421 -5.485 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.429 7.107 -3.554 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.791 7.493 -3.227 1.00 0.00 C ATOM 1407 C GLU A 93 -10.789 8.609 -2.180 1.00 0.00 C ATOM 1408 O GLU A 93 -11.764 9.348 -2.053 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.601 6.289 -2.744 1.00 0.00 C ATOM 1410 CG GLU A 93 -13.013 6.708 -2.331 1.00 0.00 C ATOM 1411 CD GLU A 93 -14.067 5.842 -3.023 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.723 6.301 -3.970 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.192 4.650 -2.545 1.00 0.00 O ATOM 0 H GLU A 93 -9.112 6.245 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.268 7.871 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.657 5.542 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.095 5.821 -1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.120 6.622 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.174 7.756 -2.585 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.683 8.696 -1.456 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.541 9.709 -0.424 1.00 0.00 C ATOM 1423 C LEU A 94 -9.092 11.024 -1.064 1.00 0.00 C ATOM 1424 O LEU A 94 -9.397 12.102 -0.557 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.611 9.216 0.687 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.232 8.259 1.706 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.157 7.410 2.386 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -10.090 9.019 2.720 1.00 0.00 C ATOM 0 H LEU A 94 -8.876 8.081 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.500 9.900 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.757 8.720 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.224 10.084 1.222 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.893 7.575 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.625 6.738 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.627 6.825 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.452 8.061 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.520 8.315 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.471 9.742 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.892 9.542 2.199 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.374 10.892 -2.170 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.879 12.056 -2.885 1.00 0.00 C ATOM 1442 C GLY A 95 -8.999 12.724 -3.686 1.00 0.00 C ATOM 1443 O GLY A 95 -8.983 12.704 -4.916 1.00 0.00 O ATOM 0 H GLY A 95 -8.123 9.996 -2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.457 12.770 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.073 11.759 -3.557 1.00 0.00 H new