USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 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 -30:sc= 0.182 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 28 SER OG : rot -48:sc= -0.0618 USER MOD Single : A 29 THR OG1 : rot 109:sc= 0.535 USER MOD Single : A 31 THR OG1 : rot 86:sc= 0.244 USER MOD Single : A 35 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.066) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.423 X(o=0.42,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.578 K(o=-0.58,f=-2.7!) USER MOD Single : A 68 THR OG1 : rot -97:sc= 0.0335 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -15.5! C(o=-19!,f=-15!) USER MOD Single : A 82 ASN : amide:sc= -10.3! C(o=-10!,f=-16!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 0.458 12.776 2.360 1.00 0.00 N ATOM 201 CA ARG A 14 -0.156 11.628 1.714 1.00 0.00 C ATOM 202 C ARG A 14 0.534 10.337 2.157 1.00 0.00 C ATOM 203 O ARG A 14 -0.111 9.434 2.688 1.00 0.00 O ATOM 204 CB ARG A 14 -0.075 11.745 0.190 1.00 0.00 C ATOM 205 CG ARG A 14 -1.231 10.999 -0.479 1.00 0.00 C ATOM 206 CD ARG A 14 -1.079 11.006 -2.002 1.00 0.00 C ATOM 207 NE ARG A 14 -1.075 9.618 -2.516 1.00 0.00 N ATOM 208 CZ ARG A 14 -0.623 9.265 -3.738 1.00 0.00 C ATOM 209 NH1 ARG A 14 -0.133 10.198 -4.583 1.00 0.00 N ATOM 210 NH2 ARG A 14 -0.666 7.995 -4.094 1.00 0.00 N ATOM 0 HA ARG A 14 -1.205 11.603 2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.099 12.796 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.875 11.340 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.263 9.971 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.177 11.464 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.896 11.568 -2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.153 11.509 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.436 8.882 -1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.103 11.177 -4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.207 9.923 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.037 7.297 -3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.328 7.711 -5.014 1.00 0.00 H new ATOM 223 N ALA A 15 1.837 10.290 1.922 1.00 0.00 N ATOM 224 CA ALA A 15 2.623 9.124 2.290 1.00 0.00 C ATOM 225 C ALA A 15 2.151 8.605 3.649 1.00 0.00 C ATOM 226 O ALA A 15 1.638 7.492 3.749 1.00 0.00 O ATOM 227 CB ALA A 15 4.109 9.488 2.289 1.00 0.00 C ATOM 0 H ALA A 15 2.369 11.041 1.481 1.00 0.00 H new ATOM 0 HA ALA A 15 2.484 8.323 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.698 8.613 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.401 9.823 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.288 10.288 3.008 1.00 0.00 H new ATOM 233 N GLU A 16 2.341 9.437 4.663 1.00 0.00 N ATOM 234 CA GLU A 16 1.941 9.076 6.012 1.00 0.00 C ATOM 235 C GLU A 16 0.565 8.407 5.997 1.00 0.00 C ATOM 236 O GLU A 16 0.379 7.349 6.595 1.00 0.00 O ATOM 237 CB GLU A 16 1.946 10.300 6.931 1.00 0.00 C ATOM 238 CG GLU A 16 3.362 10.617 7.413 1.00 0.00 C ATOM 239 CD GLU A 16 3.911 9.487 8.286 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.902 8.842 7.914 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.270 9.288 9.388 1.00 0.00 O ATOM 0 H GLU A 16 2.767 10.360 4.577 1.00 0.00 H new ATOM 0 HA GLU A 16 2.665 8.363 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.538 11.160 6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.298 10.118 7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.016 10.769 6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.357 11.549 7.979 1.00 0.00 H new ATOM 249 N ARG A 17 -0.364 9.053 5.308 1.00 0.00 N ATOM 250 CA ARG A 17 -1.718 8.534 5.207 1.00 0.00 C ATOM 251 C ARG A 17 -1.719 7.194 4.469 1.00 0.00 C ATOM 252 O ARG A 17 -2.409 6.259 4.873 1.00 0.00 O ATOM 253 CB ARG A 17 -2.630 9.515 4.469 1.00 0.00 C ATOM 254 CG ARG A 17 -3.961 9.687 5.205 1.00 0.00 C ATOM 255 CD ARG A 17 -5.140 9.343 4.293 1.00 0.00 C ATOM 256 NE ARG A 17 -5.516 10.524 3.484 1.00 0.00 N ATOM 257 CZ ARG A 17 -6.056 11.651 3.995 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.289 11.759 5.321 1.00 0.00 N ATOM 259 NH2 ARG A 17 -6.354 12.645 3.180 1.00 0.00 N ATOM 0 H ARG A 17 -0.206 9.931 4.814 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.096 8.395 6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.133 10.481 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.814 9.155 3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.979 9.046 6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.056 10.714 5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.874 8.513 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.990 9.016 4.892 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.357 10.484 2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.057 10.986 5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.697 12.614 5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.176 12.555 2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.763 13.503 3.550 1.00 0.00 H new ATOM 272 N THR A 18 -0.937 7.143 3.400 1.00 0.00 N ATOM 273 CA THR A 18 -0.839 5.932 2.602 1.00 0.00 C ATOM 274 C THR A 18 -0.222 4.799 3.425 1.00 0.00 C ATOM 275 O THR A 18 -0.682 3.660 3.363 1.00 0.00 O ATOM 276 CB THR A 18 -0.047 6.264 1.336 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.942 7.061 0.566 1.00 0.00 O ATOM 278 CG2 THR A 18 0.201 5.033 0.462 1.00 0.00 C ATOM 0 H THR A 18 -0.366 7.920 3.068 1.00 0.00 H new ATOM 0 HA THR A 18 -1.824 5.574 2.303 1.00 0.00 H new ATOM 0 HB THR A 18 0.908 6.712 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.865 6.792 0.755 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.767 5.323 -0.423 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.767 4.293 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.754 4.604 0.158 1.00 0.00 H new ATOM 286 N ALA A 19 0.809 5.152 4.178 1.00 0.00 N ATOM 287 CA ALA A 19 1.494 4.179 5.013 1.00 0.00 C ATOM 288 C ALA A 19 0.652 3.902 6.260 1.00 0.00 C ATOM 289 O ALA A 19 0.729 2.818 6.837 1.00 0.00 O ATOM 290 CB ALA A 19 2.893 4.695 5.356 1.00 0.00 C ATOM 0 H ALA A 19 1.187 6.098 4.228 1.00 0.00 H new ATOM 0 HA ALA A 19 1.617 3.235 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.407 3.965 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.460 4.848 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.811 5.640 5.893 1.00 0.00 H new ATOM 296 N GLU A 20 -0.131 4.900 6.640 1.00 0.00 N ATOM 297 CA GLU A 20 -0.986 4.777 7.809 1.00 0.00 C ATOM 298 C GLU A 20 -2.131 3.801 7.529 1.00 0.00 C ATOM 299 O GLU A 20 -2.387 2.896 8.321 1.00 0.00 O ATOM 300 CB GLU A 20 -1.523 6.143 8.241 1.00 0.00 C ATOM 301 CG GLU A 20 -2.508 6.002 9.403 1.00 0.00 C ATOM 302 CD GLU A 20 -2.173 6.983 10.528 1.00 0.00 C ATOM 303 OE1 GLU A 20 -2.608 8.144 10.489 1.00 0.00 O ATOM 304 OE2 GLU A 20 -1.433 6.502 11.469 1.00 0.00 O ATOM 0 H GLU A 20 -0.192 5.798 6.160 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.390 4.381 8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.695 6.786 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.016 6.627 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.523 6.183 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.481 4.982 9.785 1.00 0.00 H new ATOM 312 N LEU A 21 -2.788 4.019 6.400 1.00 0.00 N ATOM 313 CA LEU A 21 -3.899 3.170 6.005 1.00 0.00 C ATOM 314 C LEU A 21 -3.383 1.756 5.730 1.00 0.00 C ATOM 315 O LEU A 21 -3.997 0.775 6.145 1.00 0.00 O ATOM 316 CB LEU A 21 -4.655 3.789 4.828 1.00 0.00 C ATOM 317 CG LEU A 21 -6.033 4.373 5.148 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.187 5.772 4.549 1.00 0.00 C ATOM 319 CD2 LEU A 21 -7.148 3.429 4.694 1.00 0.00 C ATOM 0 H LEU A 21 -2.572 4.771 5.746 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.625 3.093 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.038 4.579 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.775 3.027 4.058 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.118 4.474 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.175 6.165 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.423 6.431 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.073 5.719 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.116 3.868 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.077 3.273 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.046 2.473 5.207 1.00 0.00 H new ATOM 331 N VAL A 22 -2.259 1.697 5.030 1.00 0.00 N ATOM 332 CA VAL A 22 -1.653 0.420 4.694 1.00 0.00 C ATOM 333 C VAL A 22 -1.530 -0.430 5.960 1.00 0.00 C ATOM 334 O VAL A 22 -2.106 -1.514 6.043 1.00 0.00 O ATOM 335 CB VAL A 22 -0.312 0.646 3.993 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.616 -0.555 4.184 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.514 0.951 2.507 1.00 0.00 C ATOM 0 H VAL A 22 -1.753 2.513 4.687 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.282 -0.129 3.994 1.00 0.00 H new ATOM 0 HB VAL A 22 0.163 1.513 4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.562 -0.368 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.799 -0.708 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.149 -1.446 3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.455 1.107 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.021 0.113 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.120 1.851 2.399 1.00 0.00 H new ATOM 347 N ARG A 23 -0.775 0.094 6.915 1.00 0.00 N ATOM 348 CA ARG A 23 -0.569 -0.604 8.173 1.00 0.00 C ATOM 349 C ARG A 23 -1.911 -1.042 8.763 1.00 0.00 C ATOM 350 O ARG A 23 -2.022 -2.134 9.318 1.00 0.00 O ATOM 351 CB ARG A 23 0.158 0.286 9.183 1.00 0.00 C ATOM 352 CG ARG A 23 0.258 -0.402 10.547 1.00 0.00 C ATOM 353 CD ARG A 23 -0.388 0.452 11.640 1.00 0.00 C ATOM 354 NE ARG A 23 -1.080 -0.416 12.618 1.00 0.00 N ATOM 355 CZ ARG A 23 -1.868 0.043 13.613 1.00 0.00 C ATOM 356 NH1 ARG A 23 -2.070 1.368 13.771 1.00 0.00 N ATOM 357 NH2 ARG A 23 -2.437 -0.824 14.431 1.00 0.00 N ATOM 0 H ARG A 23 -0.299 0.993 6.843 1.00 0.00 H new ATOM 0 HA ARG A 23 0.046 -1.481 7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.157 0.519 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.372 1.233 9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.231 -1.375 10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.305 -0.582 10.792 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.373 1.048 12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.097 1.150 11.196 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.954 -1.425 12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.626 2.031 13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.667 1.706 14.526 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.278 -1.824 14.306 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.035 -0.494 15.188 1.00 0.00 H new ATOM 370 N LEU A 24 -2.897 -0.168 8.622 1.00 0.00 N ATOM 371 CA LEU A 24 -4.227 -0.451 9.134 1.00 0.00 C ATOM 372 C LEU A 24 -4.851 -1.587 8.320 1.00 0.00 C ATOM 373 O LEU A 24 -5.244 -2.611 8.877 1.00 0.00 O ATOM 374 CB LEU A 24 -5.073 0.823 9.161 1.00 0.00 C ATOM 375 CG LEU A 24 -6.380 0.744 9.953 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.832 2.133 10.406 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.465 0.022 9.150 1.00 0.00 C ATOM 0 H LEU A 24 -2.801 0.737 8.160 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.173 -0.792 10.168 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.468 1.629 9.577 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.310 1.100 8.134 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.199 0.155 10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.763 2.048 10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.065 2.576 11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.991 2.767 9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.383 -0.021 9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.651 0.562 8.222 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.134 -0.991 8.920 1.00 0.00 H new ATOM 389 N VAL A 25 -4.922 -1.368 7.016 1.00 0.00 N ATOM 390 CA VAL A 25 -5.492 -2.360 6.120 1.00 0.00 C ATOM 391 C VAL A 25 -4.935 -3.740 6.475 1.00 0.00 C ATOM 392 O VAL A 25 -5.593 -4.755 6.252 1.00 0.00 O ATOM 393 CB VAL A 25 -5.229 -1.964 4.666 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.811 -3.000 3.702 1.00 0.00 C ATOM 395 CG2 VAL A 25 -5.779 -0.568 4.369 1.00 0.00 C ATOM 0 H VAL A 25 -4.594 -0.518 6.558 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.575 -2.406 6.239 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.150 -1.936 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.610 -2.695 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.350 -3.970 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.888 -3.074 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.578 -0.312 3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.855 -0.556 4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.296 0.160 5.021 1.00 0.00 H new ATOM 405 N ARG A 26 -3.727 -3.733 7.020 1.00 0.00 N ATOM 406 CA ARG A 26 -3.074 -4.972 7.407 1.00 0.00 C ATOM 407 C ARG A 26 -3.772 -5.582 8.624 1.00 0.00 C ATOM 408 O ARG A 26 -4.497 -6.568 8.499 1.00 0.00 O ATOM 409 CB ARG A 26 -1.599 -4.737 7.739 1.00 0.00 C ATOM 410 CG ARG A 26 -0.694 -5.296 6.639 1.00 0.00 C ATOM 411 CD ARG A 26 0.405 -4.296 6.273 1.00 0.00 C ATOM 412 NE ARG A 26 0.486 -4.149 4.803 1.00 0.00 N ATOM 413 CZ ARG A 26 -0.551 -3.779 4.021 1.00 0.00 C ATOM 414 NH1 ARG A 26 -1.759 -3.517 4.564 1.00 0.00 N ATOM 415 NH2 ARG A 26 -0.367 -3.679 2.718 1.00 0.00 N ATOM 0 H ARG A 26 -3.184 -2.889 7.203 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.140 -5.659 6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.415 -3.669 7.859 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.357 -5.211 8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.244 -6.231 6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.289 -5.527 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.197 -3.330 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.363 -4.636 6.666 1.00 0.00 H new ATOM 0 HE ARG A 26 1.381 -4.339 4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.894 -3.598 5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.537 -3.238 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.548 -3.880 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.140 -3.401 2.114 1.00 0.00 H new ATOM 428 N THR A 27 -3.529 -4.970 9.774 1.00 0.00 N ATOM 429 CA THR A 27 -4.125 -5.441 11.013 1.00 0.00 C ATOM 430 C THR A 27 -5.629 -5.656 10.833 1.00 0.00 C ATOM 431 O THR A 27 -6.131 -6.760 11.040 1.00 0.00 O ATOM 432 CB THR A 27 -3.783 -4.436 12.114 1.00 0.00 C ATOM 433 OG1 THR A 27 -4.007 -3.166 11.507 1.00 0.00 O ATOM 434 CG2 THR A 27 -2.292 -4.427 12.456 1.00 0.00 C ATOM 0 H THR A 27 -2.928 -4.152 9.874 1.00 0.00 H new ATOM 0 HA THR A 27 -3.722 -6.412 11.302 1.00 0.00 H new ATOM 0 HB THR A 27 -4.360 -4.669 13.009 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.810 -2.456 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.104 -3.697 13.243 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.992 -5.417 12.800 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.717 -4.161 11.569 1.00 0.00 H new ATOM 442 N SER A 28 -6.306 -4.584 10.448 1.00 0.00 N ATOM 443 CA SER A 28 -7.743 -4.642 10.238 1.00 0.00 C ATOM 444 C SER A 28 -8.109 -5.916 9.474 1.00 0.00 C ATOM 445 O SER A 28 -8.975 -6.675 9.906 1.00 0.00 O ATOM 446 CB SER A 28 -8.238 -3.408 9.480 1.00 0.00 C ATOM 447 OG SER A 28 -7.521 -3.203 8.266 1.00 0.00 O ATOM 0 H SER A 28 -5.886 -3.670 10.276 1.00 0.00 H new ATOM 0 HA SER A 28 -8.231 -4.657 11.212 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.300 -3.520 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.135 -2.528 10.115 1.00 0.00 H new ATOM 0 HG SER A 28 -6.558 -3.262 8.441 1.00 0.00 H new ATOM 453 N THR A 29 -7.432 -6.111 8.352 1.00 0.00 N ATOM 454 CA THR A 29 -7.675 -7.280 7.524 1.00 0.00 C ATOM 455 C THR A 29 -7.552 -8.557 8.357 1.00 0.00 C ATOM 456 O THR A 29 -8.550 -9.225 8.627 1.00 0.00 O ATOM 457 CB THR A 29 -6.707 -7.231 6.340 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.277 -6.260 5.466 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.718 -8.523 5.521 1.00 0.00 C ATOM 0 H THR A 29 -6.715 -5.479 7.997 1.00 0.00 H new ATOM 0 HA THR A 29 -8.692 -7.282 7.131 1.00 0.00 H new ATOM 0 HB THR A 29 -5.697 -7.041 6.704 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.722 -5.452 5.468 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.014 -8.435 4.693 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.428 -9.359 6.157 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.720 -8.696 5.128 1.00 0.00 H new ATOM 467 N ALA A 30 -6.320 -8.860 8.740 1.00 0.00 N ATOM 468 CA ALA A 30 -6.054 -10.046 9.536 1.00 0.00 C ATOM 469 C ALA A 30 -7.068 -10.126 10.679 1.00 0.00 C ATOM 470 O ALA A 30 -7.539 -11.209 11.022 1.00 0.00 O ATOM 471 CB ALA A 30 -4.610 -10.010 10.040 1.00 0.00 C ATOM 0 H ALA A 30 -5.495 -8.304 8.514 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.166 -10.946 8.932 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.411 -10.900 10.637 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.928 -9.983 9.190 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.461 -9.121 10.653 1.00 0.00 H new ATOM 477 N THR A 31 -7.375 -8.964 11.237 1.00 0.00 N ATOM 478 CA THR A 31 -8.325 -8.888 12.335 1.00 0.00 C ATOM 479 C THR A 31 -9.697 -9.396 11.888 1.00 0.00 C ATOM 480 O THR A 31 -10.393 -10.067 12.649 1.00 0.00 O ATOM 481 CB THR A 31 -8.347 -7.446 12.843 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.192 -7.352 13.672 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.513 -7.178 13.796 1.00 0.00 C ATOM 0 H THR A 31 -6.983 -8.067 10.950 1.00 0.00 H new ATOM 0 HA THR A 31 -8.027 -9.534 13.161 1.00 0.00 H new ATOM 0 HB THR A 31 -8.408 -6.764 11.995 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.413 -7.125 13.123 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.481 -6.140 14.127 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.455 -7.366 13.281 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.435 -7.837 14.661 1.00 0.00 H new ATOM 491 N VAL A 32 -10.046 -9.056 10.656 1.00 0.00 N ATOM 492 CA VAL A 32 -11.323 -9.469 10.099 1.00 0.00 C ATOM 493 C VAL A 32 -11.400 -10.997 10.088 1.00 0.00 C ATOM 494 O VAL A 32 -12.456 -11.570 10.352 1.00 0.00 O ATOM 495 CB VAL A 32 -11.513 -8.851 8.712 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.838 -9.297 8.090 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.422 -7.325 8.774 1.00 0.00 C ATOM 0 H VAL A 32 -9.467 -8.499 10.028 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.144 -9.107 10.717 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.706 -9.208 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.948 -8.844 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.847 -10.383 7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.664 -8.983 8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.560 -6.911 7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.198 -6.941 9.437 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.443 -7.034 9.155 1.00 0.00 H new ATOM 507 N LEU A 33 -10.268 -11.612 9.782 1.00 0.00 N ATOM 508 CA LEU A 33 -10.194 -13.063 9.734 1.00 0.00 C ATOM 509 C LEU A 33 -10.393 -13.626 11.142 1.00 0.00 C ATOM 510 O LEU A 33 -10.787 -14.780 11.303 1.00 0.00 O ATOM 511 CB LEU A 33 -8.890 -13.511 9.071 1.00 0.00 C ATOM 512 CG LEU A 33 -8.526 -12.807 7.762 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.118 -13.192 7.305 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.575 -13.082 6.682 1.00 0.00 C ATOM 0 H LEU A 33 -9.394 -11.133 9.565 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.995 -13.465 9.113 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.075 -13.361 9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.953 -14.582 8.879 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.523 -11.732 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.885 -12.678 6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.396 -12.904 8.069 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.069 -14.269 7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.293 -12.570 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.634 -14.155 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.546 -12.717 7.017 1.00 0.00 H new ATOM 526 N GLY A 34 -10.111 -12.785 12.127 1.00 0.00 N ATOM 527 CA GLY A 34 -10.254 -13.185 13.516 1.00 0.00 C ATOM 528 C GLY A 34 -8.910 -13.619 14.103 1.00 0.00 C ATOM 529 O GLY A 34 -8.862 -14.465 14.995 1.00 0.00 O ATOM 0 H GLY A 34 -9.784 -11.829 11.990 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.658 -12.356 14.097 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.969 -14.004 13.590 1.00 0.00 H new ATOM 533 N HIS A 35 -7.851 -13.020 13.579 1.00 0.00 N ATOM 534 CA HIS A 35 -6.509 -13.335 14.040 1.00 0.00 C ATOM 535 C HIS A 35 -5.808 -12.052 14.492 1.00 0.00 C ATOM 536 O HIS A 35 -6.325 -10.954 14.291 1.00 0.00 O ATOM 537 CB HIS A 35 -5.727 -14.090 12.963 1.00 0.00 C ATOM 538 CG HIS A 35 -6.011 -15.572 12.924 1.00 0.00 C ATOM 539 ND1 HIS A 35 -5.623 -16.382 11.871 1.00 0.00 N ATOM 540 CD2 HIS A 35 -6.646 -16.382 13.819 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.014 -17.621 12.131 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.648 -17.619 13.338 1.00 0.00 N ATOM 0 H HIS A 35 -7.895 -12.318 12.840 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.563 -14.001 14.901 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.961 -13.660 11.989 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.660 -13.939 13.130 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.075 -16.070 14.760 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.858 -18.482 11.498 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.056 -18.434 13.796 1.00 0.00 H new ATOM 550 N ASP A 36 -4.642 -12.234 15.094 1.00 0.00 N ATOM 551 CA ASP A 36 -3.865 -11.104 15.576 1.00 0.00 C ATOM 552 C ASP A 36 -2.378 -11.376 15.339 1.00 0.00 C ATOM 553 O ASP A 36 -1.622 -11.585 16.288 1.00 0.00 O ATOM 554 CB ASP A 36 -4.073 -10.893 17.077 1.00 0.00 C ATOM 555 CG ASP A 36 -5.446 -10.342 17.468 1.00 0.00 C ATOM 556 OD1 ASP A 36 -6.461 -10.636 16.818 1.00 0.00 O ATOM 557 OD2 ASP A 36 -5.450 -9.570 18.501 1.00 0.00 O ATOM 0 H ASP A 36 -4.216 -13.146 15.259 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.193 -10.215 15.038 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.921 -11.844 17.587 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.306 -10.210 17.442 1.00 0.00 H new ATOM 563 N ASP A 37 -2.002 -11.365 14.069 1.00 0.00 N ATOM 564 CA ASP A 37 -0.619 -11.607 13.695 1.00 0.00 C ATOM 565 C ASP A 37 -0.392 -11.131 12.259 1.00 0.00 C ATOM 566 O ASP A 37 -0.732 -11.833 11.308 1.00 0.00 O ATOM 567 CB ASP A 37 -0.285 -13.099 13.757 1.00 0.00 C ATOM 568 CG ASP A 37 1.038 -13.494 13.099 1.00 0.00 C ATOM 569 OD1 ASP A 37 2.097 -13.496 13.744 1.00 0.00 O ATOM 570 OD2 ASP A 37 0.953 -13.813 11.852 1.00 0.00 O ATOM 0 H ASP A 37 -2.631 -11.192 13.285 1.00 0.00 H new ATOM 0 HA ASP A 37 0.019 -11.065 14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.260 -13.407 14.802 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.091 -13.656 13.280 1.00 0.00 H new ATOM 576 N PRO A 38 0.196 -9.911 12.145 1.00 0.00 N ATOM 577 CA PRO A 38 0.473 -9.332 10.841 1.00 0.00 C ATOM 578 C PRO A 38 1.676 -10.012 10.183 1.00 0.00 C ATOM 579 O PRO A 38 1.911 -9.845 8.987 1.00 0.00 O ATOM 580 CB PRO A 38 0.698 -7.853 11.106 1.00 0.00 C ATOM 581 CG PRO A 38 0.999 -7.737 12.591 1.00 0.00 C ATOM 582 CD PRO A 38 0.612 -9.051 13.249 1.00 0.00 C ATOM 0 HA PRO A 38 -0.345 -9.476 10.135 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.526 -7.471 10.509 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.183 -7.270 10.839 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.057 -7.527 12.751 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.440 -6.911 13.030 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.452 -9.484 13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.195 -8.911 13.968 1.00 0.00 H new ATOM 590 N LYS A 39 2.406 -10.764 10.994 1.00 0.00 N ATOM 591 CA LYS A 39 3.579 -11.470 10.506 1.00 0.00 C ATOM 592 C LYS A 39 3.187 -12.330 9.303 1.00 0.00 C ATOM 593 O LYS A 39 4.030 -12.657 8.469 1.00 0.00 O ATOM 594 CB LYS A 39 4.238 -12.259 11.638 1.00 0.00 C ATOM 595 CG LYS A 39 5.435 -11.498 12.213 1.00 0.00 C ATOM 596 CD LYS A 39 5.499 -11.644 13.734 1.00 0.00 C ATOM 597 CE LYS A 39 6.936 -11.881 14.203 1.00 0.00 C ATOM 598 NZ LYS A 39 7.714 -10.624 14.145 1.00 0.00 N ATOM 0 H LYS A 39 2.208 -10.900 11.985 1.00 0.00 H new ATOM 0 HA LYS A 39 4.333 -10.763 10.160 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.510 -12.447 12.427 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.564 -13.230 11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.357 -11.874 11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.361 -10.443 11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.102 -10.745 14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.868 -12.475 14.050 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.933 -12.267 15.222 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.409 -12.638 13.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.687 -10.803 14.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.732 -10.272 13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.271 -9.913 14.761 1.00 0.00 H new ATOM 611 N ALA A 40 1.908 -12.673 9.252 1.00 0.00 N ATOM 612 CA ALA A 40 1.395 -13.489 8.165 1.00 0.00 C ATOM 613 C ALA A 40 0.883 -12.579 7.047 1.00 0.00 C ATOM 614 O ALA A 40 -0.141 -12.864 6.429 1.00 0.00 O ATOM 615 CB ALA A 40 0.308 -14.425 8.699 1.00 0.00 C ATOM 0 H ALA A 40 1.212 -12.401 9.946 1.00 0.00 H new ATOM 0 HA ALA A 40 2.186 -14.112 7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.077 -15.038 7.884 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.730 -15.070 9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.504 -13.835 9.124 1.00 0.00 H new ATOM 621 N VAL A 41 1.620 -11.501 6.822 1.00 0.00 N ATOM 622 CA VAL A 41 1.253 -10.547 5.789 1.00 0.00 C ATOM 623 C VAL A 41 2.502 -9.790 5.333 1.00 0.00 C ATOM 624 O VAL A 41 3.312 -9.367 6.158 1.00 0.00 O ATOM 625 CB VAL A 41 0.147 -9.621 6.300 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.183 -8.540 5.269 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.103 -10.418 6.677 1.00 0.00 C ATOM 0 H VAL A 41 2.469 -11.267 7.337 1.00 0.00 H new ATOM 0 HA VAL A 41 0.849 -11.064 4.918 1.00 0.00 H new ATOM 0 HB VAL A 41 0.513 -9.126 7.199 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.972 -7.896 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.707 -7.944 5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.520 -9.009 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.874 -9.737 7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.471 -10.953 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.856 -11.133 7.461 1.00 0.00 H new ATOM 637 N ARG A 42 2.620 -9.641 4.022 1.00 0.00 N ATOM 638 CA ARG A 42 3.757 -8.943 3.447 1.00 0.00 C ATOM 639 C ARG A 42 3.286 -7.714 2.667 1.00 0.00 C ATOM 640 O ARG A 42 3.954 -7.274 1.732 1.00 0.00 O ATOM 641 CB ARG A 42 4.551 -9.858 2.513 1.00 0.00 C ATOM 642 CG ARG A 42 5.770 -10.447 3.226 1.00 0.00 C ATOM 643 CD ARG A 42 5.918 -11.938 2.919 1.00 0.00 C ATOM 644 NE ARG A 42 7.007 -12.147 1.940 1.00 0.00 N ATOM 645 CZ ARG A 42 8.321 -12.097 2.247 1.00 0.00 C ATOM 646 NH1 ARG A 42 8.720 -11.844 3.511 1.00 0.00 N ATOM 647 NH2 ARG A 42 9.209 -12.300 1.292 1.00 0.00 N ATOM 0 H ARG A 42 1.946 -9.992 3.341 1.00 0.00 H new ATOM 0 HA ARG A 42 4.404 -8.631 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.910 -10.664 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.874 -9.296 1.637 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.670 -9.917 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.672 -10.302 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.132 -12.487 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.982 -12.331 2.523 1.00 0.00 H new ATOM 0 HE ARG A 42 6.749 -12.341 0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.027 -11.689 4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.715 -11.808 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.899 -12.491 0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.206 -12.266 1.507 1.00 0.00 H new ATOM 660 N ALA A 43 2.139 -7.195 3.079 1.00 0.00 N ATOM 661 CA ALA A 43 1.571 -6.025 2.431 1.00 0.00 C ATOM 662 C ALA A 43 0.995 -6.430 1.072 1.00 0.00 C ATOM 663 O ALA A 43 -0.188 -6.222 0.809 1.00 0.00 O ATOM 664 CB ALA A 43 2.640 -4.938 2.310 1.00 0.00 C ATOM 0 H ALA A 43 1.587 -7.563 3.854 1.00 0.00 H new ATOM 0 HA ALA A 43 0.755 -5.615 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.213 -4.061 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.996 -4.665 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.474 -5.312 1.716 1.00 0.00 H new ATOM 670 N THR A 44 1.859 -7.001 0.246 1.00 0.00 N ATOM 671 CA THR A 44 1.451 -7.437 -1.079 1.00 0.00 C ATOM 672 C THR A 44 1.100 -8.926 -1.066 1.00 0.00 C ATOM 673 O THR A 44 1.463 -9.661 -1.982 1.00 0.00 O ATOM 674 CB THR A 44 2.573 -7.086 -2.058 1.00 0.00 C ATOM 675 OG1 THR A 44 3.100 -5.860 -1.558 1.00 0.00 O ATOM 676 CG2 THR A 44 2.046 -6.725 -3.448 1.00 0.00 C ATOM 0 H THR A 44 2.840 -7.172 0.468 1.00 0.00 H new ATOM 0 HA THR A 44 0.545 -6.925 -1.403 1.00 0.00 H new ATOM 0 HB THR A 44 3.261 -7.928 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.835 -5.561 -2.133 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.883 -6.484 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.495 -7.571 -3.859 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.384 -5.862 -3.373 1.00 0.00 H new ATOM 684 N THR A 45 0.397 -9.326 -0.017 1.00 0.00 N ATOM 685 CA THR A 45 -0.008 -10.714 0.128 1.00 0.00 C ATOM 686 C THR A 45 -1.323 -10.966 -0.612 1.00 0.00 C ATOM 687 O THR A 45 -2.073 -10.031 -0.888 1.00 0.00 O ATOM 688 CB THR A 45 -0.081 -11.032 1.623 1.00 0.00 C ATOM 689 OG1 THR A 45 0.569 -12.294 1.742 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.511 -11.304 2.094 1.00 0.00 C ATOM 0 H THR A 45 0.097 -8.713 0.741 1.00 0.00 H new ATOM 0 HA THR A 45 0.718 -11.387 -0.327 1.00 0.00 H new ATOM 0 HB THR A 45 0.337 -10.201 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.568 -12.575 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.507 -11.524 3.162 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.129 -10.426 1.907 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.918 -12.156 1.549 1.00 0.00 H new ATOM 698 N PRO A 46 -1.569 -12.267 -0.920 1.00 0.00 N ATOM 699 CA PRO A 46 -2.781 -12.654 -1.622 1.00 0.00 C ATOM 700 C PRO A 46 -3.993 -12.610 -0.690 1.00 0.00 C ATOM 701 O PRO A 46 -4.150 -13.473 0.172 1.00 0.00 O ATOM 702 CB PRO A 46 -2.497 -14.047 -2.160 1.00 0.00 C ATOM 703 CG PRO A 46 -1.322 -14.574 -1.352 1.00 0.00 C ATOM 704 CD PRO A 46 -0.704 -13.401 -0.609 1.00 0.00 C ATOM 0 HA PRO A 46 -3.032 -11.971 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.368 -14.693 -2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.257 -14.014 -3.223 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.654 -15.339 -0.650 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.587 -15.041 -2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.667 -13.588 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.320 -13.220 -0.937 1.00 0.00 H new ATOM 712 N PHE A 47 -4.820 -11.594 -0.894 1.00 0.00 N ATOM 713 CA PHE A 47 -6.013 -11.426 -0.082 1.00 0.00 C ATOM 714 C PHE A 47 -6.903 -12.668 -0.151 1.00 0.00 C ATOM 715 O PHE A 47 -7.425 -13.120 0.867 1.00 0.00 O ATOM 716 CB PHE A 47 -6.779 -10.232 -0.655 1.00 0.00 C ATOM 717 CG PHE A 47 -7.661 -10.577 -1.857 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.935 -11.013 -1.663 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.171 -10.449 -3.119 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.753 -11.334 -2.778 1.00 0.00 C ATOM 721 CE2 PHE A 47 -7.990 -10.769 -4.234 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.263 -11.205 -4.040 1.00 0.00 C ATOM 0 H PHE A 47 -4.687 -10.880 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.735 -11.269 0.960 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.403 -9.803 0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.065 -9.463 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.324 -11.115 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.159 -10.104 -3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.764 -11.681 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.602 -10.666 -5.236 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.885 -11.449 -4.888 1.00 0.00 H new ATOM 732 N LYS A 48 -7.049 -13.186 -1.362 1.00 0.00 N ATOM 733 CA LYS A 48 -7.866 -14.368 -1.577 1.00 0.00 C ATOM 734 C LYS A 48 -7.461 -15.452 -0.577 1.00 0.00 C ATOM 735 O LYS A 48 -8.308 -16.196 -0.085 1.00 0.00 O ATOM 736 CB LYS A 48 -7.785 -14.817 -3.037 1.00 0.00 C ATOM 737 CG LYS A 48 -8.609 -16.086 -3.267 1.00 0.00 C ATOM 738 CD LYS A 48 -8.702 -16.416 -4.758 1.00 0.00 C ATOM 739 CE LYS A 48 -10.007 -17.148 -5.077 1.00 0.00 C ATOM 740 NZ LYS A 48 -11.082 -16.180 -5.389 1.00 0.00 N ATOM 0 H LYS A 48 -6.615 -12.809 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.917 -14.143 -1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.148 -14.021 -3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.745 -15.000 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.154 -16.921 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.610 -15.953 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.644 -15.497 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.853 -17.034 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.857 -17.819 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.301 -17.766 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.960 -16.694 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.236 -15.557 -4.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.806 -15.608 -6.213 1.00 0.00 H new ATOM 753 N GLU A 49 -6.166 -15.507 -0.305 1.00 0.00 N ATOM 754 CA GLU A 49 -5.637 -16.488 0.628 1.00 0.00 C ATOM 755 C GLU A 49 -5.917 -16.056 2.068 1.00 0.00 C ATOM 756 O GLU A 49 -6.175 -16.892 2.933 1.00 0.00 O ATOM 757 CB GLU A 49 -4.140 -16.709 0.403 1.00 0.00 C ATOM 758 CG GLU A 49 -3.896 -17.872 -0.560 1.00 0.00 C ATOM 759 CD GLU A 49 -3.732 -19.189 0.202 1.00 0.00 C ATOM 760 OE1 GLU A 49 -4.303 -19.351 1.290 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.981 -20.064 -0.377 1.00 0.00 O ATOM 0 H GLU A 49 -5.466 -14.888 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.141 -17.438 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.691 -15.800 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.652 -16.913 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.730 -17.953 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.002 -17.677 -1.153 1.00 0.00 H new ATOM 769 N LEU A 50 -5.857 -14.749 2.282 1.00 0.00 N ATOM 770 CA LEU A 50 -6.101 -14.195 3.603 1.00 0.00 C ATOM 771 C LEU A 50 -7.440 -14.716 4.131 1.00 0.00 C ATOM 772 O LEU A 50 -7.640 -14.811 5.341 1.00 0.00 O ATOM 773 CB LEU A 50 -6.005 -12.669 3.570 1.00 0.00 C ATOM 774 CG LEU A 50 -4.590 -12.086 3.549 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.614 -10.602 3.180 1.00 0.00 C ATOM 776 CD2 LEU A 50 -3.875 -12.335 4.879 1.00 0.00 C ATOM 0 H LEU A 50 -5.643 -14.058 1.563 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.332 -14.525 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.537 -12.310 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.527 -12.273 4.441 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.020 -12.600 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.596 -10.212 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.057 -10.480 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.206 -10.054 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.872 -11.911 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.435 -11.864 5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.808 -13.408 5.061 1.00 0.00 H new ATOM 788 N GLY A 51 -8.322 -15.039 3.197 1.00 0.00 N ATOM 789 CA GLY A 51 -9.636 -15.547 3.552 1.00 0.00 C ATOM 790 C GLY A 51 -10.714 -14.485 3.329 1.00 0.00 C ATOM 791 O GLY A 51 -11.679 -14.406 4.087 1.00 0.00 O ATOM 0 H GLY A 51 -8.152 -14.959 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.862 -16.430 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.639 -15.859 4.596 1.00 0.00 H new ATOM 795 N PHE A 52 -10.513 -13.694 2.285 1.00 0.00 N ATOM 796 CA PHE A 52 -11.455 -12.640 1.952 1.00 0.00 C ATOM 797 C PHE A 52 -12.190 -12.953 0.647 1.00 0.00 C ATOM 798 O PHE A 52 -11.586 -13.438 -0.309 1.00 0.00 O ATOM 799 CB PHE A 52 -10.644 -11.355 1.771 1.00 0.00 C ATOM 800 CG PHE A 52 -10.437 -10.563 3.063 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.721 -11.134 4.264 1.00 0.00 C ATOM 802 CD2 PHE A 52 -9.970 -9.286 3.011 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.529 -10.399 5.463 1.00 0.00 C ATOM 804 CE2 PHE A 52 -9.778 -8.551 4.210 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.061 -9.122 5.411 1.00 0.00 C ATOM 0 H PHE A 52 -9.711 -13.762 1.659 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.199 -12.543 2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.670 -11.608 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.148 -10.719 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.093 -12.147 4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.745 -8.832 2.057 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.754 -10.853 6.417 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.407 -7.538 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.915 -8.563 6.323 1.00 0.00 H new ATOM 815 N ASP A 53 -13.483 -12.663 0.648 1.00 0.00 N ATOM 816 CA ASP A 53 -14.306 -12.907 -0.524 1.00 0.00 C ATOM 817 C ASP A 53 -15.540 -12.004 -0.472 1.00 0.00 C ATOM 818 O ASP A 53 -15.786 -11.229 -1.394 1.00 0.00 O ATOM 819 CB ASP A 53 -14.785 -14.360 -0.567 1.00 0.00 C ATOM 820 CG ASP A 53 -15.068 -14.905 -1.968 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.166 -14.144 -2.942 1.00 0.00 O ATOM 822 OD2 ASP A 53 -15.192 -16.188 -2.039 1.00 0.00 O ATOM 0 H ASP A 53 -13.981 -12.261 1.442 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.704 -12.699 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.031 -14.990 -0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.693 -14.446 0.030 1.00 0.00 H new ATOM 828 N SER A 54 -16.285 -12.135 0.617 1.00 0.00 N ATOM 829 CA SER A 54 -17.487 -11.341 0.801 1.00 0.00 C ATOM 830 C SER A 54 -17.636 -10.950 2.272 1.00 0.00 C ATOM 831 O SER A 54 -17.377 -9.806 2.643 1.00 0.00 O ATOM 832 CB SER A 54 -18.727 -12.101 0.326 1.00 0.00 C ATOM 833 OG SER A 54 -18.698 -12.348 -1.077 1.00 0.00 O ATOM 0 H SER A 54 -16.079 -12.779 1.380 1.00 0.00 H new ATOM 0 HA SER A 54 -17.395 -10.437 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.797 -13.049 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.620 -11.528 0.575 1.00 0.00 H new ATOM 0 HG SER A 54 -19.506 -12.836 -1.340 1.00 0.00 H new ATOM 839 N LEU A 55 -18.052 -11.922 3.071 1.00 0.00 N ATOM 840 CA LEU A 55 -18.238 -11.693 4.494 1.00 0.00 C ATOM 841 C LEU A 55 -17.074 -10.856 5.028 1.00 0.00 C ATOM 842 O LEU A 55 -17.285 -9.798 5.618 1.00 0.00 O ATOM 843 CB LEU A 55 -18.430 -13.021 5.229 1.00 0.00 C ATOM 844 CG LEU A 55 -19.509 -13.037 6.313 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.361 -14.305 6.220 1.00 0.00 C ATOM 846 CD2 LEU A 55 -18.893 -12.862 7.703 1.00 0.00 C ATOM 0 H LEU A 55 -18.265 -12.870 2.760 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.149 -11.122 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.670 -13.789 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.481 -13.302 5.685 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.173 -12.189 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.120 -14.291 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.845 -14.347 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.725 -15.181 6.347 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -19.682 -12.877 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -18.193 -13.675 7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -18.365 -11.909 7.750 1.00 0.00 H new ATOM 858 N ALA A 56 -15.871 -11.363 4.802 1.00 0.00 N ATOM 859 CA ALA A 56 -14.673 -10.676 5.253 1.00 0.00 C ATOM 860 C ALA A 56 -14.619 -9.284 4.619 1.00 0.00 C ATOM 861 O ALA A 56 -14.220 -8.318 5.268 1.00 0.00 O ATOM 862 CB ALA A 56 -13.442 -11.519 4.914 1.00 0.00 C ATOM 0 H ALA A 56 -15.700 -12.241 4.312 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.690 -10.545 6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.543 -11.003 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.515 -12.486 5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.390 -11.669 3.836 1.00 0.00 H new ATOM 868 N ALA A 57 -15.026 -9.227 3.360 1.00 0.00 N ATOM 869 CA ALA A 57 -15.029 -7.970 2.631 1.00 0.00 C ATOM 870 C ALA A 57 -16.054 -7.024 3.259 1.00 0.00 C ATOM 871 O ALA A 57 -15.889 -5.806 3.214 1.00 0.00 O ATOM 872 CB ALA A 57 -15.311 -8.238 1.151 1.00 0.00 C ATOM 0 H ALA A 57 -15.356 -10.031 2.826 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.054 -7.487 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.313 -7.295 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.538 -8.891 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.283 -8.720 1.047 1.00 0.00 H new ATOM 878 N VAL A 58 -17.091 -7.620 3.829 1.00 0.00 N ATOM 879 CA VAL A 58 -18.144 -6.846 4.464 1.00 0.00 C ATOM 880 C VAL A 58 -17.653 -6.347 5.825 1.00 0.00 C ATOM 881 O VAL A 58 -17.910 -5.204 6.200 1.00 0.00 O ATOM 882 CB VAL A 58 -19.422 -7.681 4.560 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.246 -7.284 5.786 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.252 -7.561 3.280 1.00 0.00 C ATOM 0 H VAL A 58 -17.224 -8.631 3.864 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.389 -5.969 3.864 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.132 -8.725 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.149 -7.893 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.656 -7.444 6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.521 -6.232 5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.155 -8.164 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.527 -6.518 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.666 -7.915 2.432 1.00 0.00 H new ATOM 894 N ARG A 59 -16.955 -7.228 6.526 1.00 0.00 N ATOM 895 CA ARG A 59 -16.426 -6.891 7.837 1.00 0.00 C ATOM 896 C ARG A 59 -15.197 -5.990 7.697 1.00 0.00 C ATOM 897 O ARG A 59 -14.942 -5.145 8.554 1.00 0.00 O ATOM 898 CB ARG A 59 -16.041 -8.150 8.616 1.00 0.00 C ATOM 899 CG ARG A 59 -15.487 -7.793 9.996 1.00 0.00 C ATOM 900 CD ARG A 59 -16.150 -8.635 11.088 1.00 0.00 C ATOM 901 NE ARG A 59 -16.689 -7.756 12.149 1.00 0.00 N ATOM 902 CZ ARG A 59 -17.105 -8.193 13.356 1.00 0.00 C ATOM 903 NH1 ARG A 59 -17.048 -9.506 13.666 1.00 0.00 N ATOM 904 NH2 ARG A 59 -17.569 -7.319 14.229 1.00 0.00 N ATOM 0 H ARG A 59 -16.743 -8.175 6.211 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.207 -6.364 8.385 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.913 -8.795 8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.296 -8.715 8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.409 -7.954 10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.654 -6.735 10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.953 -9.235 10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.425 -9.329 11.513 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.750 -6.756 11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.689 -10.176 12.986 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.364 -9.828 14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.609 -6.329 13.987 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.887 -7.634 15.146 1.00 0.00 H new ATOM 917 N LEU A 60 -14.468 -6.202 6.611 1.00 0.00 N ATOM 918 CA LEU A 60 -13.272 -5.419 6.349 1.00 0.00 C ATOM 919 C LEU A 60 -13.676 -4.025 5.864 1.00 0.00 C ATOM 920 O LEU A 60 -12.942 -3.058 6.063 1.00 0.00 O ATOM 921 CB LEU A 60 -12.347 -6.162 5.383 1.00 0.00 C ATOM 922 CG LEU A 60 -11.262 -5.319 4.711 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.026 -5.201 5.606 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.916 -5.871 3.327 1.00 0.00 C ATOM 0 H LEU A 60 -14.682 -6.904 5.903 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.697 -5.284 7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.864 -6.974 5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.958 -6.619 4.605 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.653 -4.312 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.270 -4.597 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.303 -4.728 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.624 -6.195 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.142 -5.253 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.553 -6.894 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.806 -5.860 2.698 1.00 0.00 H new ATOM 936 N ARG A 61 -14.842 -3.967 5.237 1.00 0.00 N ATOM 937 CA ARG A 61 -15.352 -2.707 4.722 1.00 0.00 C ATOM 938 C ARG A 61 -15.852 -1.828 5.870 1.00 0.00 C ATOM 939 O ARG A 61 -15.401 -0.695 6.031 1.00 0.00 O ATOM 940 CB ARG A 61 -16.495 -2.940 3.731 1.00 0.00 C ATOM 941 CG ARG A 61 -16.955 -1.622 3.106 1.00 0.00 C ATOM 942 CD ARG A 61 -16.304 -1.408 1.737 1.00 0.00 C ATOM 943 NE ARG A 61 -15.131 -0.515 1.869 1.00 0.00 N ATOM 944 CZ ARG A 61 -13.869 -0.949 2.070 1.00 0.00 C ATOM 945 NH1 ARG A 61 -13.605 -2.269 2.165 1.00 0.00 N ATOM 946 NH2 ARG A 61 -12.896 -0.062 2.172 1.00 0.00 N ATOM 0 H ARG A 61 -15.448 -4.771 5.074 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.535 -2.204 4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.168 -3.624 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.332 -3.417 4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.040 -1.624 3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.701 -0.794 3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.997 -2.366 1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.026 -0.974 1.045 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.286 0.491 1.804 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.362 -2.948 2.085 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.648 -2.588 2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.104 0.934 2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.936 -0.373 2.324 1.00 0.00 H new ATOM 959 N ASN A 62 -16.778 -2.384 6.638 1.00 0.00 N ATOM 960 CA ASN A 62 -17.344 -1.664 7.766 1.00 0.00 C ATOM 961 C ASN A 62 -16.214 -1.044 8.590 1.00 0.00 C ATOM 962 O ASN A 62 -16.407 -0.019 9.242 1.00 0.00 O ATOM 963 CB ASN A 62 -18.133 -2.605 8.679 1.00 0.00 C ATOM 964 CG ASN A 62 -19.630 -2.540 8.372 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.393 -1.839 9.018 1.00 0.00 O ATOM 966 ND2 ASN A 62 -20.008 -3.306 7.353 1.00 0.00 N ATOM 0 H ASN A 62 -17.150 -3.324 6.501 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.011 -0.896 7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.776 -3.627 8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.960 -2.336 9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.988 -3.331 7.070 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.318 -3.869 6.855 1.00 0.00 H new ATOM 973 N LEU A 63 -15.059 -1.691 8.532 1.00 0.00 N ATOM 974 CA LEU A 63 -13.897 -1.215 9.264 1.00 0.00 C ATOM 975 C LEU A 63 -13.092 -0.267 8.374 1.00 0.00 C ATOM 976 O LEU A 63 -12.911 0.903 8.710 1.00 0.00 O ATOM 977 CB LEU A 63 -13.083 -2.394 9.802 1.00 0.00 C ATOM 978 CG LEU A 63 -12.739 -2.347 11.292 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.535 -3.756 11.852 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.528 -1.448 11.546 1.00 0.00 C ATOM 0 H LEU A 63 -14.903 -2.541 7.990 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.206 -0.645 10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.637 -3.312 9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.153 -2.456 9.237 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.583 -1.908 11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.292 -3.694 12.913 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.449 -4.335 11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.718 -4.244 11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.304 -1.432 12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.667 -1.835 11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.748 -0.436 11.206 1.00 0.00 H new ATOM 992 N LEU A 64 -12.629 -0.806 7.256 1.00 0.00 N ATOM 993 CA LEU A 64 -11.847 -0.023 6.314 1.00 0.00 C ATOM 994 C LEU A 64 -12.529 1.328 6.092 1.00 0.00 C ATOM 995 O LEU A 64 -11.863 2.329 5.831 1.00 0.00 O ATOM 996 CB LEU A 64 -11.611 -0.813 5.025 1.00 0.00 C ATOM 997 CG LEU A 64 -10.474 -1.836 5.064 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.072 -2.262 3.651 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.283 -1.302 5.862 1.00 0.00 C ATOM 0 H LEU A 64 -12.780 -1.776 6.981 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.856 0.182 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.533 -1.334 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.409 -0.106 4.221 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.833 -2.727 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.262 -2.989 3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.929 -2.711 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.738 -1.390 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.489 -2.049 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.914 -0.388 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.596 -1.089 6.884 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.849 1.314 6.203 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.629 2.526 6.017 1.00 0.00 C ATOM 1013 C ASN A 65 -14.196 3.569 7.049 1.00 0.00 C ATOM 1014 O ASN A 65 -14.068 4.750 6.728 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.122 2.256 6.215 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.893 2.453 4.908 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -16.345 2.395 3.820 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.191 2.689 5.076 1.00 0.00 N ATOM 0 H ASN A 65 -14.398 0.482 6.419 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.459 2.884 5.002 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.266 1.238 6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.518 2.925 6.979 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.792 2.835 4.265 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.585 2.724 6.016 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.982 3.096 8.268 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.566 3.973 9.349 1.00 0.00 C ATOM 1027 C ALA A 66 -12.079 4.295 9.196 1.00 0.00 C ATOM 1028 O ALA A 66 -11.523 5.068 9.975 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.884 3.313 10.693 1.00 0.00 C ATOM 0 H ALA A 66 -14.089 2.116 8.531 1.00 0.00 H new ATOM 0 HA ALA A 66 -14.113 4.915 9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.572 3.971 11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.956 3.132 10.765 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.350 2.366 10.768 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.476 3.686 8.185 1.00 0.00 N ATOM 1036 CA ALA A 67 -10.063 3.899 7.919 1.00 0.00 C ATOM 1037 C ALA A 67 -9.905 4.641 6.591 1.00 0.00 C ATOM 1038 O ALA A 67 -8.793 4.998 6.204 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.334 2.554 7.926 1.00 0.00 C ATOM 0 H ALA A 67 -11.940 3.046 7.541 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.615 4.517 8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.274 2.713 7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.453 2.081 8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.755 1.908 7.156 1.00 0.00 H new ATOM 1045 N THR A 68 -11.033 4.851 5.928 1.00 0.00 N ATOM 1046 CA THR A 68 -11.033 5.544 4.651 1.00 0.00 C ATOM 1047 C THR A 68 -11.856 6.831 4.743 1.00 0.00 C ATOM 1048 O THR A 68 -11.338 7.922 4.510 1.00 0.00 O ATOM 1049 CB THR A 68 -11.542 4.572 3.586 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.723 4.017 4.158 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.616 3.368 3.401 1.00 0.00 C ATOM 0 H THR A 68 -11.953 4.553 6.252 1.00 0.00 H new ATOM 0 HA THR A 68 -10.027 5.858 4.371 1.00 0.00 H new ATOM 0 HB THR A 68 -11.648 5.097 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.512 3.153 4.570 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.024 2.710 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.628 3.712 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.536 2.823 4.341 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.125 6.660 5.084 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.025 7.794 5.209 1.00 0.00 C ATOM 1061 C GLY A 69 -14.929 7.916 3.981 1.00 0.00 C ATOM 1062 O GLY A 69 -15.692 8.873 3.859 1.00 0.00 O ATOM 0 H GLY A 69 -13.551 5.754 5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.636 7.681 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.447 8.710 5.331 1.00 0.00 H new ATOM 1066 N LEU A 70 -14.812 6.932 3.100 1.00 0.00 N ATOM 1067 CA LEU A 70 -15.609 6.917 1.885 1.00 0.00 C ATOM 1068 C LEU A 70 -16.242 5.535 1.713 1.00 0.00 C ATOM 1069 O LEU A 70 -16.203 4.712 2.626 1.00 0.00 O ATOM 1070 CB LEU A 70 -14.767 7.362 0.687 1.00 0.00 C ATOM 1071 CG LEU A 70 -13.439 6.628 0.491 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -12.352 7.210 1.396 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.610 5.121 0.696 1.00 0.00 C ATOM 0 H LEU A 70 -14.178 6.140 3.204 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.426 7.635 1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.364 7.240 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.559 8.427 0.790 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.115 6.778 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.419 6.670 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.207 8.264 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.655 7.111 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.651 4.623 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.969 4.930 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.332 4.735 -0.024 1.00 0.00 H new ATOM 1085 N ARG A 71 -16.811 5.323 0.536 1.00 0.00 N ATOM 1086 CA ARG A 71 -17.452 4.055 0.232 1.00 0.00 C ATOM 1087 C ARG A 71 -16.664 3.306 -0.845 1.00 0.00 C ATOM 1088 O ARG A 71 -17.043 3.315 -2.015 1.00 0.00 O ATOM 1089 CB ARG A 71 -18.889 4.265 -0.250 1.00 0.00 C ATOM 1090 CG ARG A 71 -19.878 4.164 0.912 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.183 3.501 0.467 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.211 3.648 1.520 1.00 0.00 N ATOM 1093 CZ ARG A 71 -22.814 4.815 1.832 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -22.495 5.949 1.171 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.719 4.832 2.792 1.00 0.00 N ATOM 0 H ARG A 71 -16.842 6.008 -0.219 1.00 0.00 H new ATOM 0 HA ARG A 71 -17.471 3.466 1.149 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -18.978 5.243 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.135 3.520 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.433 3.589 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.087 5.160 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.533 3.955 -0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.011 2.445 0.260 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.481 2.815 2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -21.794 5.928 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -22.955 6.827 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -23.954 3.971 3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -24.184 5.706 3.040 1.00 0.00 H new ATOM 1108 N LEU A 72 -15.582 2.677 -0.412 1.00 0.00 N ATOM 1109 CA LEU A 72 -14.737 1.925 -1.324 1.00 0.00 C ATOM 1110 C LEU A 72 -15.607 0.981 -2.156 1.00 0.00 C ATOM 1111 O LEU A 72 -16.776 0.766 -1.839 1.00 0.00 O ATOM 1112 CB LEU A 72 -13.619 1.216 -0.558 1.00 0.00 C ATOM 1113 CG LEU A 72 -12.333 2.020 -0.352 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.101 2.312 1.132 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -11.136 1.313 -0.991 1.00 0.00 C ATOM 0 H LEU A 72 -15.271 2.673 0.559 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.237 2.597 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.003 0.926 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.369 0.297 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.446 2.980 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.181 2.884 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.939 2.887 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.017 1.373 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.235 1.905 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.010 0.330 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.309 1.200 -2.061 1.00 0.00 H new ATOM 1127 N PRO A 73 -14.987 0.427 -3.233 1.00 0.00 N ATOM 1128 CA PRO A 73 -15.692 -0.489 -4.113 1.00 0.00 C ATOM 1129 C PRO A 73 -15.855 -1.862 -3.458 1.00 0.00 C ATOM 1130 O PRO A 73 -14.876 -2.469 -3.027 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.859 -0.533 -5.384 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.485 -0.008 -5.000 1.00 0.00 C ATOM 1133 CD PRO A 73 -13.604 0.659 -3.639 1.00 0.00 C ATOM 0 HA PRO A 73 -16.710 -0.164 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.794 -1.549 -5.773 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.307 0.080 -6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.762 -0.823 -4.964 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.127 0.704 -5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.904 0.228 -2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.382 1.725 -3.699 1.00 0.00 H new ATOM 1141 N SER A 74 -17.100 -2.312 -3.403 1.00 0.00 N ATOM 1142 CA SER A 74 -17.404 -3.602 -2.807 1.00 0.00 C ATOM 1143 C SER A 74 -16.552 -4.693 -3.459 1.00 0.00 C ATOM 1144 O SER A 74 -16.359 -5.762 -2.882 1.00 0.00 O ATOM 1145 CB SER A 74 -18.891 -3.936 -2.946 1.00 0.00 C ATOM 1146 OG SER A 74 -19.280 -4.083 -4.309 1.00 0.00 O ATOM 0 H SER A 74 -17.910 -1.806 -3.761 1.00 0.00 H new ATOM 0 HA SER A 74 -17.168 -3.552 -1.744 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.108 -4.858 -2.406 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.484 -3.148 -2.483 1.00 0.00 H new ATOM 0 HG SER A 74 -20.235 -4.297 -4.355 1.00 0.00 H new ATOM 1152 N THR A 75 -16.064 -4.385 -4.652 1.00 0.00 N ATOM 1153 CA THR A 75 -15.237 -5.326 -5.388 1.00 0.00 C ATOM 1154 C THR A 75 -13.767 -5.167 -4.992 1.00 0.00 C ATOM 1155 O THR A 75 -12.916 -5.940 -5.429 1.00 0.00 O ATOM 1156 CB THR A 75 -15.491 -5.112 -6.881 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.817 -3.891 -7.176 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.960 -4.810 -7.187 1.00 0.00 C ATOM 0 H THR A 75 -16.226 -3.497 -5.127 1.00 0.00 H new ATOM 0 HA THR A 75 -15.497 -6.356 -5.144 1.00 0.00 H new ATOM 0 HB THR A 75 -15.180 -5.999 -7.433 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.929 -3.677 -8.126 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.086 -4.666 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.579 -5.644 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.262 -3.904 -6.662 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.515 -4.159 -4.170 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.163 -3.888 -3.711 1.00 0.00 C ATOM 1168 C LEU A 76 -11.522 -5.192 -3.231 1.00 0.00 C ATOM 1169 O LEU A 76 -10.359 -5.461 -3.527 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.167 -2.780 -2.656 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.649 -3.183 -1.262 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.473 -3.591 -0.372 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -13.488 -2.072 -0.629 1.00 0.00 C ATOM 0 H LEU A 76 -14.224 -3.520 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.550 -3.513 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.155 -2.385 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.797 -1.966 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 76 -13.294 -4.055 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.843 -3.873 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.954 -4.438 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.783 -2.753 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.818 -2.385 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.887 -1.167 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.358 -1.872 -1.255 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.308 -5.966 -2.498 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.831 -7.235 -1.974 1.00 0.00 C ATOM 1187 C VAL A 77 -11.983 -8.314 -3.047 1.00 0.00 C ATOM 1188 O VAL A 77 -12.318 -9.458 -2.740 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.567 -7.574 -0.676 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.218 -8.986 -0.201 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.266 -6.541 0.411 1.00 0.00 C ATOM 0 H VAL A 77 -13.272 -5.739 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.772 -7.172 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.637 -7.543 -0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.754 -9.202 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.506 -9.708 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.145 -9.055 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.802 -6.806 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.195 -6.525 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.587 -5.555 0.075 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.730 -7.914 -4.285 1.00 0.00 N ATOM 1202 CA PHE A 78 -11.835 -8.833 -5.405 1.00 0.00 C ATOM 1203 C PHE A 78 -10.879 -8.435 -6.532 1.00 0.00 C ATOM 1204 O PHE A 78 -10.248 -9.293 -7.147 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.273 -8.748 -5.920 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.810 -10.065 -6.486 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.263 -11.032 -5.645 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -13.834 -10.267 -7.831 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.761 -12.254 -6.170 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -14.331 -11.489 -8.356 1.00 0.00 C ATOM 1211 CZ PHE A 78 -14.784 -12.456 -7.515 1.00 0.00 C ATOM 0 H PHE A 78 -11.452 -6.965 -4.537 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.576 -9.842 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -13.921 -8.423 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.326 -7.983 -6.695 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.244 -10.871 -4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -13.475 -9.498 -8.499 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -15.121 -13.022 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -14.349 -11.650 -9.424 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.162 -13.385 -7.915 1.00 0.00 H new ATOM 1221 N ASP A 79 -10.801 -7.133 -6.767 1.00 0.00 N ATOM 1222 CA ASP A 79 -9.932 -6.612 -7.808 1.00 0.00 C ATOM 1223 C ASP A 79 -8.570 -6.267 -7.204 1.00 0.00 C ATOM 1224 O ASP A 79 -7.616 -5.993 -7.931 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.513 -5.337 -8.423 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.433 -5.260 -9.948 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -9.338 -5.251 -10.531 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -11.572 -5.206 -10.552 1.00 0.00 O ATOM 0 H ASP A 79 -11.325 -6.424 -6.254 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.837 -7.375 -8.581 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.558 -5.251 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.990 -4.478 -8.003 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.522 -6.292 -5.880 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.291 -5.985 -5.170 1.00 0.00 C ATOM 1236 C HIS A 80 -6.494 -7.271 -4.946 1.00 0.00 C ATOM 1237 O HIS A 80 -6.987 -8.212 -4.326 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.587 -5.236 -3.869 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.758 -6.136 -2.668 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -7.140 -6.127 -1.453 1.00 0.00 N flip ATOM 1241 CD2 HIS A 80 -8.654 -7.191 -2.644 1.00 0.00 C flip ATOM 1242 CE1 HIS A 80 -7.631 -7.122 -0.725 1.00 0.00 C flip ATOM 1243 NE2 HIS A 80 -8.570 -7.783 -1.462 1.00 0.00 N flip ATOM 0 H HIS A 80 -9.315 -6.520 -5.280 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.675 -5.318 -5.773 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.776 -4.535 -3.673 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.494 -4.645 -4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -9.310 -7.482 -3.451 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -7.336 -7.368 0.284 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.112 -8.591 -1.156 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.242 -7.271 -5.477 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.371 -8.426 -5.342 1.00 0.00 C ATOM 1253 C PRO A 81 -3.807 -8.524 -3.923 1.00 0.00 C ATOM 1254 O PRO A 81 -3.406 -9.600 -3.483 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.295 -8.234 -6.397 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.334 -6.761 -6.769 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.624 -6.175 -6.219 1.00 0.00 C ATOM 0 HA PRO A 81 -4.896 -9.369 -5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.315 -8.513 -6.010 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.485 -8.862 -7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.471 -6.240 -6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.291 -6.639 -7.851 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.426 -5.320 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.273 -5.824 -7.021 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.793 -7.385 -3.246 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.285 -7.328 -1.886 1.00 0.00 C ATOM 1267 C ASN A 82 -3.792 -6.053 -1.209 1.00 0.00 C ATOM 1268 O ASN A 82 -4.326 -5.165 -1.871 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.755 -7.295 -1.871 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.177 -8.157 -2.995 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.833 -9.313 -2.810 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.089 -7.533 -4.166 1.00 0.00 N ATOM 0 H ASN A 82 -4.126 -6.494 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.632 -8.217 -1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.409 -6.267 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.389 -7.653 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.715 -8.024 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.395 -6.564 -4.252 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.608 -6.004 0.102 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.040 -4.853 0.876 1.00 0.00 C ATOM 1281 C ALA A 83 -3.387 -3.590 0.312 1.00 0.00 C ATOM 1282 O ALA A 83 -4.062 -2.588 0.080 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.703 -5.074 2.352 1.00 0.00 C ATOM 0 H ALA A 83 -3.165 -6.743 0.648 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.120 -4.726 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.027 -4.210 2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.215 -5.966 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.626 -5.203 2.464 1.00 0.00 H new ATOM 1289 N SER A 84 -2.081 -3.679 0.106 1.00 0.00 N ATOM 1290 CA SER A 84 -1.329 -2.555 -0.426 1.00 0.00 C ATOM 1291 C SER A 84 -2.133 -1.864 -1.529 1.00 0.00 C ATOM 1292 O SER A 84 -1.974 -0.666 -1.761 1.00 0.00 O ATOM 1293 CB SER A 84 0.030 -3.007 -0.964 1.00 0.00 C ATOM 1294 OG SER A 84 1.099 -2.229 -0.434 1.00 0.00 O ATOM 0 H SER A 84 -1.525 -4.512 0.298 1.00 0.00 H new ATOM 0 HA SER A 84 -1.152 -1.847 0.384 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.187 -4.057 -0.715 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.032 -2.933 -2.051 1.00 0.00 H new ATOM 0 HG SER A 84 1.950 -2.550 -0.800 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.979 -2.648 -2.181 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.808 -2.126 -3.254 1.00 0.00 C ATOM 1302 C ALA A 85 -5.002 -1.381 -2.654 1.00 0.00 C ATOM 1303 O ALA A 85 -5.251 -0.225 -2.993 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.237 -3.272 -4.172 1.00 0.00 C ATOM 0 H ALA A 85 -3.108 -3.641 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.247 -1.415 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.859 -2.880 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.353 -3.749 -4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.805 -4.005 -3.598 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.709 -2.074 -1.774 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.871 -1.492 -1.123 1.00 0.00 C ATOM 1312 C VAL A 86 -6.554 -0.052 -0.715 1.00 0.00 C ATOM 1313 O VAL A 86 -7.308 0.867 -1.031 1.00 0.00 O ATOM 1314 CB VAL A 86 -7.304 -2.367 0.055 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -8.262 -1.610 0.977 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.931 -3.674 -0.433 1.00 0.00 C ATOM 0 H VAL A 86 -5.500 -3.033 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.716 -1.456 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.413 -2.618 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.554 -2.254 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.766 -0.721 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.149 -1.315 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.230 -4.277 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.807 -3.452 -1.043 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.204 -4.226 -1.029 1.00 0.00 H new ATOM 1326 N ALA A 87 -5.437 0.099 -0.018 1.00 0.00 N ATOM 1327 CA ALA A 87 -5.012 1.412 0.437 1.00 0.00 C ATOM 1328 C ALA A 87 -4.870 2.343 -0.768 1.00 0.00 C ATOM 1329 O ALA A 87 -5.243 3.513 -0.700 1.00 0.00 O ATOM 1330 CB ALA A 87 -3.709 1.280 1.229 1.00 0.00 C ATOM 0 H ALA A 87 -4.814 -0.665 0.242 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.756 1.847 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.390 2.265 1.571 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.871 0.632 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.937 0.849 0.591 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.329 1.790 -1.843 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.133 2.557 -3.062 1.00 0.00 C ATOM 1338 C GLY A 88 -5.458 3.135 -3.565 1.00 0.00 C ATOM 1339 O GLY A 88 -5.555 4.331 -3.835 1.00 0.00 O ATOM 0 H GLY A 88 -4.020 0.819 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.426 3.366 -2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.695 1.920 -3.830 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.445 2.258 -3.675 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.759 2.666 -4.141 1.00 0.00 C ATOM 1345 C PHE A 89 -8.319 3.800 -3.279 1.00 0.00 C ATOM 1346 O PHE A 89 -8.623 4.878 -3.787 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.676 1.447 -4.017 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.320 1.016 -5.336 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -8.689 0.117 -6.139 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -10.523 1.532 -5.706 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -9.287 -0.283 -7.363 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -11.120 1.132 -6.931 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.489 0.233 -7.734 1.00 0.00 C ATOM 0 H PHE A 89 -6.361 1.267 -3.449 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.695 3.024 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.101 0.612 -3.615 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.463 1.669 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.734 -0.292 -5.845 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.024 2.246 -5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.787 -0.998 -8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.075 1.542 -7.225 1.00 0.00 H new ATOM 0 HZ PHE A 89 -10.943 -0.071 -8.666 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.437 3.517 -1.990 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.955 4.500 -1.053 1.00 0.00 C ATOM 1365 C LEU A 90 -8.135 5.787 -1.166 1.00 0.00 C ATOM 1366 O LEU A 90 -8.696 6.877 -1.272 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.997 3.920 0.362 1.00 0.00 C ATOM 1368 CG LEU A 90 -7.739 3.180 0.822 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -6.820 4.106 1.621 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -8.102 1.917 1.605 1.00 0.00 C ATOM 0 H LEU A 90 -8.183 2.622 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.986 4.755 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.192 4.733 1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.842 3.234 0.427 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.186 2.863 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.934 3.556 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.521 4.949 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.349 4.474 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.190 1.410 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.688 2.189 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.687 1.251 0.970 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.821 5.618 -1.140 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.919 6.753 -1.238 1.00 0.00 C ATOM 1384 C ASP A 91 -6.433 7.717 -2.309 1.00 0.00 C ATOM 1385 O ASP A 91 -6.663 8.893 -2.033 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.513 6.305 -1.640 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.406 7.327 -1.369 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.538 7.569 -2.220 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.459 7.893 -0.211 1.00 0.00 O ATOM 0 H ASP A 91 -6.360 4.713 -1.053 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.878 7.237 -0.262 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.275 5.384 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.514 6.067 -2.704 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.598 7.182 -3.511 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.081 7.980 -4.625 1.00 0.00 C ATOM 1397 C ALA A 92 -8.377 8.684 -4.218 1.00 0.00 C ATOM 1398 O ALA A 92 -8.605 9.835 -4.590 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.264 7.085 -5.852 1.00 0.00 C ATOM 0 H ALA A 92 -6.406 6.206 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.356 8.750 -4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.626 7.683 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.309 6.632 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.987 6.301 -5.626 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.192 7.965 -3.461 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.459 8.507 -3.001 1.00 0.00 C ATOM 1407 C GLU A 93 -10.223 9.550 -1.906 1.00 0.00 C ATOM 1408 O GLU A 93 -11.060 10.425 -1.688 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.384 7.393 -2.507 1.00 0.00 C ATOM 1410 CG GLU A 93 -11.889 6.541 -3.673 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.416 6.579 -3.760 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.093 5.757 -3.124 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.896 7.504 -4.519 1.00 0.00 O ATOM 0 H GLU A 93 -9.000 7.011 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.950 8.996 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.851 6.762 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.231 7.828 -1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.459 6.904 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.554 5.511 -3.547 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.081 9.422 -1.247 1.00 0.00 N ATOM 1422 CA LEU A 94 -8.726 10.343 -0.181 1.00 0.00 C ATOM 1423 C LEU A 94 -7.963 11.530 -0.772 1.00 0.00 C ATOM 1424 O LEU A 94 -7.943 12.612 -0.187 1.00 0.00 O ATOM 1425 CB LEU A 94 -7.964 9.611 0.926 1.00 0.00 C ATOM 1426 CG LEU A 94 -8.789 8.654 1.789 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -7.883 7.692 2.560 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.729 9.425 2.718 1.00 0.00 C ATOM 0 H LEU A 94 -8.390 8.695 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.623 10.744 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.151 9.047 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.507 10.355 1.579 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.412 8.050 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.494 7.023 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.292 7.106 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.217 8.261 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.304 8.721 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.144 10.070 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.410 10.034 2.123 1.00 0.00 H new ATOM 1440 N GLY A 95 -7.353 11.287 -1.923 1.00 0.00 N ATOM 1441 CA GLY A 95 -6.591 12.323 -2.599 1.00 0.00 C ATOM 1442 C GLY A 95 -5.232 12.531 -1.927 1.00 0.00 C ATOM 1443 O GLY A 95 -5.158 13.063 -0.820 1.00 0.00 O ATOM 0 H GLY A 95 -7.371 10.388 -2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.446 12.049 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.152 13.257 -2.589 1.00 0.00 H new