USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 25 GLN : amide:sc= -0.263 K(o=-0.26,f=-0.92) USER MOD Single : A 27 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.43) USER MOD Single : A 31 SER OG : rot 80:sc= 0.945 USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= -1.28 (180deg=-1.3) USER MOD Single : A 40 MET CE :methyl 151:sc= -2.17 (180deg=-3.97!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.589 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.88! C(o=-3.9!,f=-3!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 178:sc= -3.52 (180deg=-3.54) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.108 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -136:sc= -2.04 (180deg=-4.05!) USER MOD Single : A 86 SER OG : rot 11:sc= -0.483 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 14 5.878 18.666 -12.475 1.00 0.00 N ATOM 163 CA SER A 14 5.616 19.528 -11.335 1.00 0.00 C ATOM 164 C SER A 14 4.480 18.949 -10.490 1.00 0.00 C ATOM 165 O SER A 14 4.706 18.490 -9.371 1.00 0.00 O ATOM 166 CB SER A 14 5.271 20.949 -11.786 1.00 0.00 C ATOM 167 OG SER A 14 5.354 21.885 -10.714 1.00 0.00 O ATOM 0 HA SER A 14 6.521 19.578 -10.730 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.949 21.251 -12.584 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.264 20.963 -12.202 1.00 0.00 H new ATOM 0 HG SER A 14 5.128 22.780 -11.043 1.00 0.00 H new ATOM 173 N LYS A 15 3.284 18.988 -11.058 1.00 0.00 N ATOM 174 CA LYS A 15 2.112 18.473 -10.370 1.00 0.00 C ATOM 175 C LYS A 15 2.075 16.949 -10.507 1.00 0.00 C ATOM 176 O LYS A 15 1.411 16.268 -9.728 1.00 0.00 O ATOM 177 CB LYS A 15 0.846 19.166 -10.876 1.00 0.00 C ATOM 178 CG LYS A 15 -0.284 19.063 -9.849 1.00 0.00 C ATOM 179 CD LYS A 15 -1.321 18.023 -10.277 1.00 0.00 C ATOM 180 CE LYS A 15 -2.727 18.626 -10.293 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.186 18.834 -11.685 1.00 0.00 N ATOM 0 H LYS A 15 3.101 19.368 -11.987 1.00 0.00 H new ATOM 0 HA LYS A 15 2.166 18.697 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.059 20.215 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.530 18.713 -11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.127 18.793 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.764 20.034 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.073 17.643 -11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.293 17.174 -9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.419 17.965 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.728 19.576 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.142 19.244 -11.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.535 19.482 -12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.204 17.922 -12.184 1.00 0.00 H new ATOM 195 N VAL A 16 2.797 16.459 -11.504 1.00 0.00 N ATOM 196 CA VAL A 16 2.855 15.029 -11.753 1.00 0.00 C ATOM 197 C VAL A 16 3.960 14.410 -10.894 1.00 0.00 C ATOM 198 O VAL A 16 3.711 13.474 -10.136 1.00 0.00 O ATOM 199 CB VAL A 16 3.043 14.765 -13.249 1.00 0.00 C ATOM 200 CG1 VAL A 16 3.004 13.266 -13.550 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.997 15.518 -14.074 1.00 0.00 C ATOM 0 H VAL A 16 3.347 17.027 -12.149 1.00 0.00 H new ATOM 0 HA VAL A 16 1.916 14.554 -11.468 1.00 0.00 H new ATOM 0 HB VAL A 16 4.027 15.138 -13.534 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.140 13.106 -14.620 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.803 12.764 -13.004 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.042 12.858 -13.242 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.153 15.313 -15.133 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.999 15.189 -13.784 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.093 16.589 -13.893 1.00 0.00 H new ATOM 211 N GLU A 17 5.157 14.959 -11.041 1.00 0.00 N ATOM 212 CA GLU A 17 6.300 14.473 -10.288 1.00 0.00 C ATOM 213 C GLU A 17 5.873 14.069 -8.876 1.00 0.00 C ATOM 214 O GLU A 17 6.353 13.071 -8.339 1.00 0.00 O ATOM 215 CB GLU A 17 7.414 15.521 -10.245 1.00 0.00 C ATOM 216 CG GLU A 17 8.715 14.962 -10.825 1.00 0.00 C ATOM 217 CD GLU A 17 9.720 14.646 -9.715 1.00 0.00 C ATOM 218 OE1 GLU A 17 9.733 15.412 -8.727 1.00 0.00 O ATOM 219 OE2 GLU A 17 10.451 13.646 -9.879 1.00 0.00 O ATOM 0 H GLU A 17 5.360 15.736 -11.670 1.00 0.00 H new ATOM 0 HA GLU A 17 6.695 13.591 -10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.110 16.403 -10.808 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.578 15.841 -9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.504 14.058 -11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.148 15.684 -11.518 1.00 0.00 H new ATOM 226 N LYS A 18 4.975 14.864 -8.313 1.00 0.00 N ATOM 227 CA LYS A 18 4.477 14.602 -6.974 1.00 0.00 C ATOM 228 C LYS A 18 3.660 13.309 -6.982 1.00 0.00 C ATOM 229 O LYS A 18 3.970 12.370 -6.249 1.00 0.00 O ATOM 230 CB LYS A 18 3.707 15.813 -6.442 1.00 0.00 C ATOM 231 CG LYS A 18 4.542 16.587 -5.419 1.00 0.00 C ATOM 232 CD LYS A 18 4.501 15.905 -4.050 1.00 0.00 C ATOM 233 CE LYS A 18 3.260 16.331 -3.262 1.00 0.00 C ATOM 234 NZ LYS A 18 3.482 17.643 -2.614 1.00 0.00 N ATOM 0 H LYS A 18 4.579 15.691 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 18 5.306 14.451 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.438 16.470 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.776 15.483 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.574 16.656 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.165 17.606 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.501 14.823 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.399 16.159 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.400 16.389 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.026 15.581 -2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.630 17.917 -2.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.289 17.576 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.683 18.360 -3.341 1.00 0.00 H new ATOM 248 N ALA A 19 2.633 13.301 -7.818 1.00 0.00 N ATOM 249 CA ALA A 19 1.769 12.138 -7.932 1.00 0.00 C ATOM 250 C ALA A 19 2.628 10.888 -8.139 1.00 0.00 C ATOM 251 O ALA A 19 2.546 9.939 -7.361 1.00 0.00 O ATOM 252 CB ALA A 19 0.769 12.353 -9.069 1.00 0.00 C ATOM 0 H ALA A 19 2.379 14.082 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 19 1.195 11.996 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.121 11.480 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.164 13.235 -8.859 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.308 12.497 -10.005 1.00 0.00 H new ATOM 258 N ARG A 20 3.431 10.929 -9.191 1.00 0.00 N ATOM 259 CA ARG A 20 4.304 9.812 -9.510 1.00 0.00 C ATOM 260 C ARG A 20 4.990 9.296 -8.244 1.00 0.00 C ATOM 261 O ARG A 20 4.725 8.179 -7.802 1.00 0.00 O ATOM 262 CB ARG A 20 5.370 10.219 -10.529 1.00 0.00 C ATOM 263 CG ARG A 20 5.197 9.451 -11.841 1.00 0.00 C ATOM 264 CD ARG A 20 6.458 9.545 -12.702 1.00 0.00 C ATOM 265 NE ARG A 20 6.490 8.431 -13.676 1.00 0.00 N ATOM 266 CZ ARG A 20 7.196 8.448 -14.815 1.00 0.00 C ATOM 267 NH1 ARG A 20 7.931 9.523 -15.131 1.00 0.00 N ATOM 268 NH2 ARG A 20 7.166 7.391 -15.638 1.00 0.00 N ATOM 0 H ARG A 20 3.496 11.718 -9.834 1.00 0.00 H new ATOM 0 HA ARG A 20 3.688 9.023 -9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.306 11.290 -10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.362 10.027 -10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.975 8.405 -11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.346 9.852 -12.392 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.479 10.500 -13.228 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.344 9.511 -12.068 1.00 0.00 H new ATOM 0 HE ARG A 20 5.940 7.598 -13.467 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.953 10.328 -14.505 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.469 9.536 -15.998 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.606 6.573 -15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.703 7.404 -16.505 1.00 0.00 H new ATOM 282 N GLN A 21 5.858 10.133 -7.696 1.00 0.00 N ATOM 283 CA GLN A 21 6.583 9.776 -6.489 1.00 0.00 C ATOM 284 C GLN A 21 5.638 9.132 -5.472 1.00 0.00 C ATOM 285 O GLN A 21 5.888 8.024 -5.002 1.00 0.00 O ATOM 286 CB GLN A 21 7.286 10.995 -5.890 1.00 0.00 C ATOM 287 CG GLN A 21 8.479 11.419 -6.749 1.00 0.00 C ATOM 288 CD GLN A 21 9.468 12.258 -5.938 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.099 13.134 -5.174 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.743 11.942 -6.147 1.00 0.00 N ATOM 0 H GLN A 21 6.076 11.058 -8.066 1.00 0.00 H new ATOM 0 HA GLN A 21 7.351 9.049 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.581 11.822 -5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.625 10.764 -4.880 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.982 10.535 -7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.128 11.992 -7.607 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.983 11.197 -6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.481 12.445 -5.653 1.00 0.00 H new ATOM 299 N LEU A 22 4.572 9.856 -5.163 1.00 0.00 N ATOM 300 CA LEU A 22 3.588 9.370 -4.210 1.00 0.00 C ATOM 301 C LEU A 22 3.107 7.983 -4.643 1.00 0.00 C ATOM 302 O LEU A 22 3.278 7.008 -3.914 1.00 0.00 O ATOM 303 CB LEU A 22 2.458 10.388 -4.041 1.00 0.00 C ATOM 304 CG LEU A 22 2.850 11.727 -3.413 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.637 12.649 -3.287 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.553 11.518 -2.070 1.00 0.00 C ATOM 0 H LEU A 22 4.368 10.775 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 22 4.036 9.259 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.022 10.583 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.678 9.937 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 22 3.562 12.220 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.943 13.594 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.218 12.836 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.884 12.175 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.821 12.485 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.884 10.994 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.455 10.925 -2.220 1.00 0.00 H new ATOM 318 N ARG A 23 2.516 7.941 -5.828 1.00 0.00 N ATOM 319 CA ARG A 23 2.009 6.690 -6.367 1.00 0.00 C ATOM 320 C ARG A 23 2.966 5.543 -6.036 1.00 0.00 C ATOM 321 O ARG A 23 2.551 4.520 -5.493 1.00 0.00 O ATOM 322 CB ARG A 23 1.832 6.775 -7.884 1.00 0.00 C ATOM 323 CG ARG A 23 0.632 7.652 -8.247 1.00 0.00 C ATOM 324 CD ARG A 23 -0.007 7.192 -9.559 1.00 0.00 C ATOM 325 NE ARG A 23 0.995 7.222 -10.648 1.00 0.00 N ATOM 326 CZ ARG A 23 0.863 6.566 -11.809 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.229 5.824 -12.039 1.00 0.00 N ATOM 328 NH2 ARG A 23 1.823 6.651 -12.740 1.00 0.00 N ATOM 0 H ARG A 23 2.377 8.753 -6.430 1.00 0.00 H new ATOM 0 HA ARG A 23 1.038 6.502 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.736 7.183 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.693 5.775 -8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.106 7.614 -7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.950 8.690 -8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.403 6.183 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.848 7.838 -9.810 1.00 0.00 H new ATOM 0 HE ARG A 23 1.839 7.777 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.960 5.759 -11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.329 5.325 -12.923 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.655 7.215 -12.565 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.722 6.152 -13.624 1.00 0.00 H new ATOM 342 N GLU A 24 4.229 5.752 -6.376 1.00 0.00 N ATOM 343 CA GLU A 24 5.249 4.748 -6.122 1.00 0.00 C ATOM 344 C GLU A 24 5.283 4.391 -4.635 1.00 0.00 C ATOM 345 O GLU A 24 5.144 3.225 -4.269 1.00 0.00 O ATOM 346 CB GLU A 24 6.620 5.225 -6.604 1.00 0.00 C ATOM 347 CG GLU A 24 6.604 5.514 -8.106 1.00 0.00 C ATOM 348 CD GLU A 24 5.824 4.437 -8.863 1.00 0.00 C ATOM 349 OE1 GLU A 24 4.597 4.624 -9.011 1.00 0.00 O ATOM 350 OE2 GLU A 24 6.473 3.452 -9.276 1.00 0.00 O ATOM 0 H GLU A 24 4.570 6.602 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 24 4.996 3.850 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.908 6.125 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.371 4.466 -6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.153 6.490 -8.287 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.626 5.560 -8.482 1.00 0.00 H new ATOM 357 N GLN A 25 5.469 5.417 -3.817 1.00 0.00 N ATOM 358 CA GLN A 25 5.523 5.227 -2.378 1.00 0.00 C ATOM 359 C GLN A 25 4.292 4.456 -1.897 1.00 0.00 C ATOM 360 O GLN A 25 4.409 3.521 -1.107 1.00 0.00 O ATOM 361 CB GLN A 25 5.649 6.567 -1.651 1.00 0.00 C ATOM 362 CG GLN A 25 7.092 6.817 -1.208 1.00 0.00 C ATOM 363 CD GLN A 25 7.136 7.465 0.177 1.00 0.00 C ATOM 364 OE1 GLN A 25 6.801 6.862 1.184 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.566 8.724 0.173 1.00 0.00 N ATOM 0 H GLN A 25 5.584 6.383 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 25 6.410 4.639 -2.143 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.322 7.373 -2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.991 6.577 -0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.639 5.874 -1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.592 7.462 -1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.831 9.170 -0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.631 9.244 1.048 1.00 0.00 H new ATOM 374 N VAL A 26 3.138 4.878 -2.395 1.00 0.00 N ATOM 375 CA VAL A 26 1.886 4.240 -2.026 1.00 0.00 C ATOM 376 C VAL A 26 1.894 2.791 -2.516 1.00 0.00 C ATOM 377 O VAL A 26 1.764 1.862 -1.720 1.00 0.00 O ATOM 378 CB VAL A 26 0.706 5.049 -2.570 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.617 4.325 -2.317 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.684 6.456 -1.971 1.00 0.00 C ATOM 0 H VAL A 26 3.044 5.654 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 26 1.774 4.216 -0.942 1.00 0.00 H new ATOM 0 HB VAL A 26 0.834 5.146 -3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.439 4.921 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.601 3.354 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.755 4.183 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.164 7.010 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.591 6.389 -0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.609 6.974 -2.224 1.00 0.00 H new ATOM 390 N ASN A 27 2.047 2.643 -3.824 1.00 0.00 N ATOM 391 CA ASN A 27 2.074 1.322 -4.429 1.00 0.00 C ATOM 392 C ASN A 27 3.001 0.413 -3.620 1.00 0.00 C ATOM 393 O ASN A 27 2.564 -0.601 -3.078 1.00 0.00 O ATOM 394 CB ASN A 27 2.605 1.384 -5.863 1.00 0.00 C ATOM 395 CG ASN A 27 2.478 0.025 -6.554 1.00 0.00 C ATOM 396 OD1 ASN A 27 1.616 -0.197 -7.388 1.00 0.00 O ATOM 397 ND2 ASN A 27 3.381 -0.868 -6.161 1.00 0.00 N ATOM 0 H ASN A 27 2.153 3.416 -4.481 1.00 0.00 H new ATOM 0 HA ASN A 27 1.055 0.935 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.053 2.136 -6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.649 1.696 -5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.379 -1.806 -6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.075 -0.616 -5.458 1.00 0.00 H new ATOM 404 N ASP A 28 4.264 0.809 -3.563 1.00 0.00 N ATOM 405 CA ASP A 28 5.256 0.043 -2.829 1.00 0.00 C ATOM 406 C ASP A 28 4.787 -0.140 -1.385 1.00 0.00 C ATOM 407 O ASP A 28 4.811 -1.251 -0.856 1.00 0.00 O ATOM 408 CB ASP A 28 6.602 0.769 -2.800 1.00 0.00 C ATOM 409 CG ASP A 28 7.830 -0.141 -2.865 1.00 0.00 C ATOM 410 OD1 ASP A 28 8.174 -0.706 -1.804 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.397 -0.252 -3.973 1.00 0.00 O ATOM 0 H ASP A 28 4.623 1.651 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 28 5.376 -0.919 -3.328 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.640 1.465 -3.638 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.657 1.364 -1.888 1.00 0.00 H new ATOM 416 N LEU A 29 4.370 0.966 -0.787 1.00 0.00 N ATOM 417 CA LEU A 29 3.895 0.941 0.586 1.00 0.00 C ATOM 418 C LEU A 29 2.957 -0.252 0.776 1.00 0.00 C ATOM 419 O LEU A 29 3.302 -1.216 1.457 1.00 0.00 O ATOM 420 CB LEU A 29 3.264 2.285 0.959 1.00 0.00 C ATOM 421 CG LEU A 29 2.293 2.264 2.141 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.981 1.753 3.408 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.655 3.639 2.350 1.00 0.00 C ATOM 0 H LEU A 29 4.351 1.885 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 29 4.729 0.804 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.064 2.990 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.736 2.671 0.087 1.00 0.00 H new ATOM 0 HG LEU A 29 1.488 1.567 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.268 1.748 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.348 0.740 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.818 2.406 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.969 3.597 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.434 4.375 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.107 3.926 1.453 1.00 0.00 H new ATOM 435 N PHE A 30 1.788 -0.149 0.161 1.00 0.00 N ATOM 436 CA PHE A 30 0.797 -1.208 0.253 1.00 0.00 C ATOM 437 C PHE A 30 1.436 -2.578 0.020 1.00 0.00 C ATOM 438 O PHE A 30 1.061 -3.559 0.660 1.00 0.00 O ATOM 439 CB PHE A 30 -0.239 -0.948 -0.842 1.00 0.00 C ATOM 440 CG PHE A 30 -1.218 0.183 -0.518 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.741 0.291 0.733 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.564 1.080 -1.480 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.650 1.340 1.034 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.472 2.129 -1.178 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.996 2.237 0.072 1.00 0.00 C ATOM 0 H PHE A 30 1.505 0.652 -0.403 1.00 0.00 H new ATOM 0 HA PHE A 30 0.347 -1.211 1.246 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.281 -0.710 -1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.803 -1.864 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.465 -0.421 1.497 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.148 0.994 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.066 1.425 2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.747 2.842 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.687 3.035 0.301 1.00 0.00 H new ATOM 455 N SER A 31 2.390 -2.602 -0.900 1.00 0.00 N ATOM 456 CA SER A 31 3.084 -3.836 -1.226 1.00 0.00 C ATOM 457 C SER A 31 3.902 -4.310 -0.023 1.00 0.00 C ATOM 458 O SER A 31 3.621 -5.363 0.547 1.00 0.00 O ATOM 459 CB SER A 31 3.991 -3.652 -2.444 1.00 0.00 C ATOM 460 OG SER A 31 3.378 -2.849 -3.450 1.00 0.00 O ATOM 0 H SER A 31 2.698 -1.787 -1.430 1.00 0.00 H new ATOM 0 HA SER A 31 2.339 -4.593 -1.472 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.928 -3.190 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.240 -4.628 -2.861 1.00 0.00 H new ATOM 0 HG SER A 31 3.459 -1.903 -3.208 1.00 0.00 H new ATOM 466 N ARG A 32 4.897 -3.508 0.329 1.00 0.00 N ATOM 467 CA ARG A 32 5.757 -3.833 1.454 1.00 0.00 C ATOM 468 C ARG A 32 4.920 -4.321 2.639 1.00 0.00 C ATOM 469 O ARG A 32 5.256 -5.322 3.270 1.00 0.00 O ATOM 470 CB ARG A 32 6.580 -2.618 1.887 1.00 0.00 C ATOM 471 CG ARG A 32 8.078 -2.890 1.739 1.00 0.00 C ATOM 472 CD ARG A 32 8.810 -2.661 3.063 1.00 0.00 C ATOM 473 NE ARG A 32 10.094 -3.398 3.066 1.00 0.00 N ATOM 474 CZ ARG A 32 11.199 -2.984 2.432 1.00 0.00 C ATOM 475 NH1 ARG A 32 11.185 -1.836 1.741 1.00 0.00 N ATOM 476 NH2 ARG A 32 12.319 -3.718 2.489 1.00 0.00 N ATOM 0 H ARG A 32 5.126 -2.634 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 32 6.436 -4.623 1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.303 -1.753 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.352 -2.371 2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.234 -3.916 1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.495 -2.239 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.992 -1.596 3.208 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.188 -2.994 3.894 1.00 0.00 H new ATOM 0 HE ARG A 32 10.140 -4.276 3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.333 -1.277 1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.027 -1.521 1.258 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.330 -4.592 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.160 -3.403 2.006 1.00 0.00 H new ATOM 490 N LYS A 33 3.847 -3.592 2.904 1.00 0.00 N ATOM 491 CA LYS A 33 2.959 -3.938 4.001 1.00 0.00 C ATOM 492 C LYS A 33 2.407 -5.348 3.780 1.00 0.00 C ATOM 493 O LYS A 33 2.737 -6.271 4.523 1.00 0.00 O ATOM 494 CB LYS A 33 1.874 -2.873 4.170 1.00 0.00 C ATOM 495 CG LYS A 33 2.489 -1.514 4.513 1.00 0.00 C ATOM 496 CD LYS A 33 2.788 -1.410 6.010 1.00 0.00 C ATOM 497 CE LYS A 33 3.815 -0.310 6.288 1.00 0.00 C ATOM 498 NZ LYS A 33 4.413 -0.488 7.630 1.00 0.00 N ATOM 0 H LYS A 33 3.572 -2.763 2.378 1.00 0.00 H new ATOM 0 HA LYS A 33 3.507 -3.953 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.293 -2.792 3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.184 -3.173 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.408 -1.373 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.806 -0.717 4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.868 -1.200 6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.164 -2.365 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.597 -0.334 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.337 0.667 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.057 0.303 7.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.659 -0.511 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.944 -1.382 7.658 1.00 0.00 H new ATOM 512 N PHE A 34 1.577 -5.470 2.754 1.00 0.00 N ATOM 513 CA PHE A 34 0.977 -6.751 2.426 1.00 0.00 C ATOM 514 C PHE A 34 1.958 -7.898 2.678 1.00 0.00 C ATOM 515 O PHE A 34 1.550 -9.004 3.027 1.00 0.00 O ATOM 516 CB PHE A 34 0.628 -6.713 0.936 1.00 0.00 C ATOM 517 CG PHE A 34 0.106 -8.041 0.385 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.993 -8.622 0.938 1.00 0.00 C ATOM 519 CD2 PHE A 34 0.740 -8.641 -0.657 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.478 -9.854 0.426 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.255 -9.874 -1.169 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.843 -10.455 -0.616 1.00 0.00 C ATOM 0 H PHE A 34 1.306 -4.702 2.139 1.00 0.00 H new ATOM 0 HA PHE A 34 0.097 -6.919 3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.124 -5.942 0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.515 -6.421 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.496 -8.146 1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.613 -8.180 -1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.351 -10.314 0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.758 -10.350 -1.998 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.211 -11.393 -1.004 1.00 0.00 H new ATOM 532 N GLY A 35 3.234 -7.593 2.491 1.00 0.00 N ATOM 533 CA GLY A 35 4.277 -8.584 2.694 1.00 0.00 C ATOM 534 C GLY A 35 4.062 -9.347 4.003 1.00 0.00 C ATOM 535 O GLY A 35 3.911 -10.568 3.997 1.00 0.00 O ATOM 0 H GLY A 35 3.569 -6.674 2.201 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.286 -9.284 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.251 -8.094 2.710 1.00 0.00 H new ATOM 539 N GLU A 36 4.054 -8.595 5.094 1.00 0.00 N ATOM 540 CA GLU A 36 3.860 -9.185 6.408 1.00 0.00 C ATOM 541 C GLU A 36 2.629 -10.093 6.405 1.00 0.00 C ATOM 542 O GLU A 36 2.598 -11.105 7.104 1.00 0.00 O ATOM 543 CB GLU A 36 3.741 -8.103 7.483 1.00 0.00 C ATOM 544 CG GLU A 36 2.764 -7.007 7.051 1.00 0.00 C ATOM 545 CD GLU A 36 1.918 -6.529 8.233 1.00 0.00 C ATOM 546 OE1 GLU A 36 1.150 -7.366 8.755 1.00 0.00 O ATOM 547 OE2 GLU A 36 2.058 -5.339 8.587 1.00 0.00 O ATOM 0 H GLU A 36 4.179 -7.583 5.095 1.00 0.00 H new ATOM 0 HA GLU A 36 4.734 -9.791 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.402 -8.550 8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.721 -7.667 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.317 -6.167 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.113 -7.385 6.263 1.00 0.00 H new ATOM 554 N ALA A 37 1.644 -9.699 5.611 1.00 0.00 N ATOM 555 CA ALA A 37 0.413 -10.464 5.509 1.00 0.00 C ATOM 556 C ALA A 37 0.727 -11.854 4.950 1.00 0.00 C ATOM 557 O ALA A 37 -0.038 -12.795 5.152 1.00 0.00 O ATOM 558 CB ALA A 37 -0.592 -9.702 4.643 1.00 0.00 C ATOM 0 H ALA A 37 1.674 -8.860 5.032 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.039 -10.597 6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.515 -10.276 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.803 -8.734 5.097 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.174 -9.552 3.647 1.00 0.00 H new ATOM 564 N ILE A 38 1.855 -11.938 4.259 1.00 0.00 N ATOM 565 CA ILE A 38 2.279 -13.196 3.670 1.00 0.00 C ATOM 566 C ILE A 38 3.612 -13.620 4.289 1.00 0.00 C ATOM 567 O ILE A 38 4.139 -14.685 3.970 1.00 0.00 O ATOM 568 CB ILE A 38 2.318 -13.088 2.144 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.842 -11.719 1.704 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.948 -13.398 1.538 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.777 -11.570 0.183 1.00 0.00 C ATOM 0 H ILE A 38 2.488 -11.155 4.094 1.00 0.00 H new ATOM 0 HA ILE A 38 1.558 -13.982 3.893 1.00 0.00 H new ATOM 0 HB ILE A 38 3.015 -13.836 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.254 -10.932 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.871 -11.594 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.003 -13.314 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.651 -14.411 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.213 -12.690 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.155 -10.588 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.386 -12.344 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.744 -11.671 -0.149 1.00 0.00 H new ATOM 583 N GLY A 39 4.120 -12.765 5.165 1.00 0.00 N ATOM 584 CA GLY A 39 5.381 -13.038 5.833 1.00 0.00 C ATOM 585 C GLY A 39 6.552 -12.944 4.852 1.00 0.00 C ATOM 586 O GLY A 39 7.634 -13.465 5.120 1.00 0.00 O ATOM 0 H GLY A 39 3.681 -11.883 5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.526 -12.328 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.353 -14.033 6.278 1.00 0.00 H new ATOM 590 N MET A 40 6.296 -12.276 3.737 1.00 0.00 N ATOM 591 CA MET A 40 7.315 -12.107 2.715 1.00 0.00 C ATOM 592 C MET A 40 8.343 -11.054 3.135 1.00 0.00 C ATOM 593 O MET A 40 8.034 -10.156 3.916 1.00 0.00 O ATOM 594 CB MET A 40 6.656 -11.681 1.402 1.00 0.00 C ATOM 595 CG MET A 40 5.730 -12.778 0.872 1.00 0.00 C ATOM 596 SD MET A 40 6.693 -14.072 0.107 1.00 0.00 S ATOM 597 CE MET A 40 5.942 -14.101 -1.512 1.00 0.00 C ATOM 0 H MET A 40 5.398 -11.845 3.519 1.00 0.00 H new ATOM 0 HA MET A 40 7.830 -13.058 2.581 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.088 -10.764 1.557 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.424 -11.459 0.661 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.136 -13.189 1.688 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.031 -12.358 0.149 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.677 -14.427 -2.248 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.099 -14.792 -1.510 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.591 -13.101 -1.768 1.00 0.00 H new ATOM 607 N GLY A 41 9.546 -11.200 2.598 1.00 0.00 N ATOM 608 CA GLY A 41 10.621 -10.273 2.908 1.00 0.00 C ATOM 609 C GLY A 41 10.638 -9.104 1.921 1.00 0.00 C ATOM 610 O GLY A 41 11.300 -8.095 2.160 1.00 0.00 O ATOM 0 H GLY A 41 9.800 -11.946 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.499 -9.895 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.577 -10.795 2.875 1.00 0.00 H new ATOM 614 N PHE A 42 9.903 -9.279 0.833 1.00 0.00 N ATOM 615 CA PHE A 42 9.825 -8.251 -0.191 1.00 0.00 C ATOM 616 C PHE A 42 8.377 -7.814 -0.420 1.00 0.00 C ATOM 617 O PHE A 42 7.444 -8.501 -0.007 1.00 0.00 O ATOM 618 CB PHE A 42 10.370 -8.864 -1.482 1.00 0.00 C ATOM 619 CG PHE A 42 9.900 -10.297 -1.738 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.573 -10.565 -1.867 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.809 -11.304 -1.837 1.00 0.00 C ATOM 622 CE1 PHE A 42 8.136 -11.895 -2.104 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.372 -12.634 -2.075 1.00 0.00 C ATOM 624 CZ PHE A 42 9.045 -12.901 -2.203 1.00 0.00 C ATOM 0 H PHE A 42 9.356 -10.118 0.638 1.00 0.00 H new ATOM 0 HA PHE A 42 10.396 -7.375 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.071 -8.239 -2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.459 -8.851 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.851 -9.766 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.863 -11.092 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 42 7.082 -12.107 -2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 42 11.094 -13.433 -2.154 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.713 -13.913 -2.383 1.00 0.00 H new ATOM 634 N PRO A 43 8.230 -6.643 -1.096 1.00 0.00 N ATOM 635 CA PRO A 43 6.911 -6.106 -1.385 1.00 0.00 C ATOM 636 C PRO A 43 6.239 -6.884 -2.518 1.00 0.00 C ATOM 637 O PRO A 43 6.796 -7.007 -3.608 1.00 0.00 O ATOM 638 CB PRO A 43 7.148 -4.644 -1.727 1.00 0.00 C ATOM 639 CG PRO A 43 8.624 -4.530 -2.070 1.00 0.00 C ATOM 640 CD PRO A 43 9.311 -5.802 -1.601 1.00 0.00 C ATOM 0 HA PRO A 43 6.225 -6.198 -0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.527 -4.334 -2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.892 -4.000 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.757 -4.398 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.062 -3.658 -1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.843 -6.289 -2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.045 -5.592 -0.823 1.00 0.00 H new ATOM 648 N VAL A 44 5.050 -7.389 -2.222 1.00 0.00 N ATOM 649 CA VAL A 44 4.296 -8.152 -3.202 1.00 0.00 C ATOM 650 C VAL A 44 3.120 -7.310 -3.702 1.00 0.00 C ATOM 651 O VAL A 44 2.723 -6.344 -3.052 1.00 0.00 O ATOM 652 CB VAL A 44 3.861 -9.490 -2.601 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.302 -10.420 -3.681 1.00 0.00 C ATOM 654 CG2 VAL A 44 5.015 -10.155 -1.849 1.00 0.00 C ATOM 0 H VAL A 44 4.590 -7.285 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 44 4.918 -8.386 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 44 3.065 -9.292 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.000 -11.364 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.438 -9.952 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.069 -10.607 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.678 -11.104 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.842 -10.333 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.348 -9.502 -1.042 1.00 0.00 H new ATOM 664 N LYS A 45 2.595 -7.708 -4.852 1.00 0.00 N ATOM 665 CA LYS A 45 1.473 -7.002 -5.446 1.00 0.00 C ATOM 666 C LYS A 45 0.378 -6.815 -4.393 1.00 0.00 C ATOM 667 O LYS A 45 0.367 -7.505 -3.375 1.00 0.00 O ATOM 668 CB LYS A 45 0.995 -7.722 -6.708 1.00 0.00 C ATOM 669 CG LYS A 45 1.832 -7.313 -7.922 1.00 0.00 C ATOM 670 CD LYS A 45 2.745 -8.457 -8.368 1.00 0.00 C ATOM 671 CE LYS A 45 2.951 -8.434 -9.884 1.00 0.00 C ATOM 672 NZ LYS A 45 4.268 -9.011 -10.236 1.00 0.00 N ATOM 0 H LYS A 45 2.926 -8.510 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 45 1.778 -6.007 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.061 -8.800 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.054 -7.488 -6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.174 -7.027 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.433 -6.438 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.709 -8.375 -7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.310 -9.411 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.157 -8.998 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.886 -7.409 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.392 -8.988 -11.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.022 -8.456 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.316 -9.995 -9.903 1.00 0.00 H new ATOM 686 N VAL A 46 -0.516 -5.879 -4.674 1.00 0.00 N ATOM 687 CA VAL A 46 -1.612 -5.593 -3.764 1.00 0.00 C ATOM 688 C VAL A 46 -2.941 -5.778 -4.499 1.00 0.00 C ATOM 689 O VAL A 46 -3.227 -5.066 -5.461 1.00 0.00 O ATOM 690 CB VAL A 46 -1.447 -4.192 -3.171 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.754 -3.707 -2.540 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.303 -4.158 -2.156 1.00 0.00 C ATOM 0 H VAL A 46 -0.504 -5.308 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.604 -6.290 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.194 -3.511 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.610 -2.709 -2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.535 -3.675 -3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.050 -4.391 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.207 -3.151 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.514 -4.857 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.628 -4.441 -2.647 1.00 0.00 H new ATOM 702 N PRO A 47 -3.738 -6.764 -4.006 1.00 0.00 N ATOM 703 CA PRO A 47 -5.030 -7.052 -4.605 1.00 0.00 C ATOM 704 C PRO A 47 -6.059 -5.984 -4.229 1.00 0.00 C ATOM 705 O PRO A 47 -7.010 -6.263 -3.501 1.00 0.00 O ATOM 706 CB PRO A 47 -5.398 -8.437 -4.099 1.00 0.00 C ATOM 707 CG PRO A 47 -4.529 -8.678 -2.876 1.00 0.00 C ATOM 708 CD PRO A 47 -3.431 -7.627 -2.869 1.00 0.00 C ATOM 0 HA PRO A 47 -5.002 -7.035 -5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.456 -8.491 -3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -5.216 -9.193 -4.863 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.125 -8.613 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.099 -9.679 -2.905 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.426 -7.065 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.446 -8.082 -2.972 1.00 0.00 H new ATOM 716 N TYR A 48 -5.833 -4.783 -4.743 1.00 0.00 N ATOM 717 CA TYR A 48 -6.729 -3.673 -4.470 1.00 0.00 C ATOM 718 C TYR A 48 -8.154 -3.992 -4.927 1.00 0.00 C ATOM 719 O TYR A 48 -9.096 -3.902 -4.141 1.00 0.00 O ATOM 720 CB TYR A 48 -6.198 -2.492 -5.286 1.00 0.00 C ATOM 721 CG TYR A 48 -4.793 -2.040 -4.883 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.591 -1.413 -3.670 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.727 -2.259 -5.732 1.00 0.00 C ATOM 724 CE1 TYR A 48 -3.269 -0.987 -3.291 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.405 -1.833 -5.353 1.00 0.00 C ATOM 726 CZ TYR A 48 -2.241 -1.218 -4.151 1.00 0.00 C ATOM 727 OH TYR A 48 -0.992 -0.816 -3.793 1.00 0.00 O ATOM 0 H TYR A 48 -5.043 -4.555 -5.346 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.763 -3.462 -3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.192 -2.766 -6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.884 -1.652 -5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.425 -1.242 -3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.885 -2.750 -6.681 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.097 -0.495 -2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.563 -1.998 -6.008 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.358 -1.047 -4.503 1.00 0.00 H new ATOM 737 N ARG A 49 -8.267 -4.359 -6.195 1.00 0.00 N ATOM 738 CA ARG A 49 -9.561 -4.692 -6.766 1.00 0.00 C ATOM 739 C ARG A 49 -10.241 -5.783 -5.937 1.00 0.00 C ATOM 740 O ARG A 49 -11.410 -5.655 -5.575 1.00 0.00 O ATOM 741 CB ARG A 49 -9.417 -5.174 -8.211 1.00 0.00 C ATOM 742 CG ARG A 49 -8.114 -5.951 -8.403 1.00 0.00 C ATOM 743 CD ARG A 49 -7.097 -5.129 -9.198 1.00 0.00 C ATOM 744 NE ARG A 49 -6.179 -6.030 -9.929 1.00 0.00 N ATOM 745 CZ ARG A 49 -5.143 -5.609 -10.668 1.00 0.00 C ATOM 746 NH1 ARG A 49 -4.888 -4.298 -10.778 1.00 0.00 N ATOM 747 NH2 ARG A 49 -4.363 -6.498 -11.297 1.00 0.00 N ATOM 0 H ARG A 49 -7.483 -4.433 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.171 -3.789 -6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.264 -5.808 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.438 -4.319 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.696 -6.212 -7.431 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.318 -6.886 -8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.615 -4.476 -9.900 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.530 -4.487 -8.524 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.345 -7.034 -9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.482 -3.621 -10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.100 -3.977 -11.340 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.557 -7.496 -11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.575 -6.177 -11.859 1.00 0.00 H new ATOM 761 N LYS A 50 -9.481 -6.832 -5.659 1.00 0.00 N ATOM 762 CA LYS A 50 -9.996 -7.944 -4.879 1.00 0.00 C ATOM 763 C LYS A 50 -10.424 -7.440 -3.500 1.00 0.00 C ATOM 764 O LYS A 50 -11.547 -7.689 -3.065 1.00 0.00 O ATOM 765 CB LYS A 50 -8.973 -9.081 -4.828 1.00 0.00 C ATOM 766 CG LYS A 50 -9.349 -10.201 -5.800 1.00 0.00 C ATOM 767 CD LYS A 50 -8.426 -11.409 -5.630 1.00 0.00 C ATOM 768 CE LYS A 50 -9.194 -12.718 -5.822 1.00 0.00 C ATOM 769 NZ LYS A 50 -9.975 -13.044 -4.608 1.00 0.00 N ATOM 0 H LYS A 50 -8.512 -6.935 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.883 -8.364 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.984 -8.696 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.916 -9.478 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.383 -10.502 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.288 -9.834 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.611 -11.352 -6.351 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.975 -11.390 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.862 -12.632 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.497 -13.527 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.490 -13.935 -4.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.331 -13.146 -3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.654 -12.280 -4.416 1.00 0.00 H new ATOM 783 N ILE A 51 -9.506 -6.739 -2.850 1.00 0.00 N ATOM 784 CA ILE A 51 -9.775 -6.197 -1.529 1.00 0.00 C ATOM 785 C ILE A 51 -10.977 -5.255 -1.604 1.00 0.00 C ATOM 786 O ILE A 51 -11.573 -4.920 -0.581 1.00 0.00 O ATOM 787 CB ILE A 51 -8.517 -5.545 -0.952 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.690 -6.557 -0.156 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.872 -4.312 -0.118 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.226 -6.538 -0.599 1.00 0.00 C ATOM 0 H ILE A 51 -8.575 -6.534 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.039 -6.996 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.897 -5.205 -1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.755 -6.328 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.102 -7.557 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.960 -3.867 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.386 -3.584 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.523 -4.605 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.660 -7.266 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.163 -6.791 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.810 -5.543 -0.438 1.00 0.00 H new ATOM 802 N THR A 52 -11.299 -4.853 -2.825 1.00 0.00 N ATOM 803 CA THR A 52 -12.420 -3.956 -3.047 1.00 0.00 C ATOM 804 C THR A 52 -13.694 -4.754 -3.331 1.00 0.00 C ATOM 805 O THR A 52 -14.650 -4.700 -2.559 1.00 0.00 O ATOM 806 CB THR A 52 -12.040 -2.995 -4.175 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.827 -1.750 -3.515 1.00 0.00 O ATOM 808 CG2 THR A 52 -13.207 -2.718 -5.126 1.00 0.00 C ATOM 0 H THR A 52 -10.803 -5.132 -3.671 1.00 0.00 H new ATOM 0 HA THR A 52 -12.636 -3.365 -2.157 1.00 0.00 H new ATOM 0 HB THR A 52 -11.203 -3.409 -4.738 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.575 -1.070 -4.174 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.884 -2.031 -5.908 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.537 -3.653 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.032 -2.273 -4.570 1.00 0.00 H new ATOM 816 N ILE A 53 -13.666 -5.476 -4.442 1.00 0.00 N ATOM 817 CA ILE A 53 -14.807 -6.284 -4.838 1.00 0.00 C ATOM 818 C ILE A 53 -15.244 -7.155 -3.658 1.00 0.00 C ATOM 819 O ILE A 53 -16.400 -7.567 -3.580 1.00 0.00 O ATOM 820 CB ILE A 53 -14.486 -7.080 -6.104 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.178 -7.859 -5.945 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.466 -6.170 -7.334 1.00 0.00 C ATOM 823 CD1 ILE A 53 -12.363 -7.831 -7.240 1.00 0.00 C ATOM 0 H ILE A 53 -12.871 -5.518 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.654 -5.647 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.279 -7.811 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.591 -7.430 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.396 -8.891 -5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.235 -6.761 -8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.442 -5.700 -7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.706 -5.399 -7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.439 -8.392 -7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.943 -8.282 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.126 -6.799 -7.498 1.00 0.00 H new ATOM 835 N ASN A 54 -14.295 -7.409 -2.768 1.00 0.00 N ATOM 836 CA ASN A 54 -14.568 -8.223 -1.596 1.00 0.00 C ATOM 837 C ASN A 54 -13.269 -8.435 -0.815 1.00 0.00 C ATOM 838 O ASN A 54 -12.390 -9.175 -1.254 1.00 0.00 O ATOM 839 CB ASN A 54 -15.110 -9.597 -1.993 1.00 0.00 C ATOM 840 CG ASN A 54 -14.195 -10.273 -3.016 1.00 0.00 C ATOM 841 OD1 ASN A 54 -13.174 -10.854 -2.685 1.00 0.00 O ATOM 842 ND2 ASN A 54 -14.615 -10.166 -4.273 1.00 0.00 N ATOM 0 H ASN A 54 -13.337 -7.065 -2.835 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.311 -7.704 -0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.199 -10.226 -1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.111 -9.490 -2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.073 -10.584 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.479 -9.666 -4.481 1.00 0.00 H new ATOM 849 N PRO A 55 -13.187 -7.755 0.360 1.00 0.00 N ATOM 850 CA PRO A 55 -12.011 -7.862 1.206 1.00 0.00 C ATOM 851 C PRO A 55 -11.984 -9.204 1.941 1.00 0.00 C ATOM 852 O PRO A 55 -10.916 -9.700 2.298 1.00 0.00 O ATOM 853 CB PRO A 55 -12.094 -6.672 2.147 1.00 0.00 C ATOM 854 CG PRO A 55 -13.541 -6.207 2.106 1.00 0.00 C ATOM 855 CD PRO A 55 -14.209 -6.870 0.912 1.00 0.00 C ATOM 0 HA PRO A 55 -11.081 -7.840 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.803 -6.954 3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.419 -5.877 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.055 -6.476 3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.591 -5.122 2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -15.095 -7.428 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.532 -6.131 0.178 1.00 0.00 H new ATOM 863 N GLY A 56 -13.172 -9.755 2.145 1.00 0.00 N ATOM 864 CA GLY A 56 -13.298 -11.029 2.831 1.00 0.00 C ATOM 865 C GLY A 56 -11.950 -11.750 2.902 1.00 0.00 C ATOM 866 O GLY A 56 -11.428 -11.990 3.989 1.00 0.00 O ATOM 0 H GLY A 56 -14.056 -9.342 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.681 -10.867 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.023 -11.656 2.311 1.00 0.00 H new ATOM 870 N CYS A 57 -11.426 -12.074 1.729 1.00 0.00 N ATOM 871 CA CYS A 57 -10.149 -12.762 1.645 1.00 0.00 C ATOM 872 C CYS A 57 -9.114 -11.950 2.427 1.00 0.00 C ATOM 873 O CYS A 57 -8.912 -12.179 3.618 1.00 0.00 O ATOM 874 CB CYS A 57 -9.721 -12.984 0.193 1.00 0.00 C ATOM 875 SG CYS A 57 -10.572 -14.453 -0.492 1.00 0.00 S ATOM 0 H CYS A 57 -11.862 -11.873 0.829 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.238 -13.755 2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.960 -12.104 -0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.641 -13.122 0.140 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.204 -14.632 -1.726 1.00 0.00 H new ATOM 881 N VAL A 58 -8.485 -11.020 1.724 1.00 0.00 N ATOM 882 CA VAL A 58 -7.476 -10.173 2.337 1.00 0.00 C ATOM 883 C VAL A 58 -8.126 -8.871 2.809 1.00 0.00 C ATOM 884 O VAL A 58 -8.945 -8.290 2.099 1.00 0.00 O ATOM 885 CB VAL A 58 -6.321 -9.944 1.360 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.414 -8.808 1.839 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.520 -11.231 1.146 1.00 0.00 C ATOM 0 H VAL A 58 -8.655 -10.834 0.735 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.051 -10.660 3.214 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.748 -9.651 0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.601 -8.666 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.993 -7.888 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.000 -9.060 2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.705 -11.041 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.110 -11.567 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.173 -12.003 0.739 1.00 0.00 H new ATOM 897 N VAL A 59 -7.737 -8.452 4.004 1.00 0.00 N ATOM 898 CA VAL A 59 -8.272 -7.229 4.579 1.00 0.00 C ATOM 899 C VAL A 59 -7.165 -6.176 4.647 1.00 0.00 C ATOM 900 O VAL A 59 -5.989 -6.494 4.477 1.00 0.00 O ATOM 901 CB VAL A 59 -8.901 -7.524 5.942 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.489 -6.254 6.560 1.00 0.00 C ATOM 903 CG2 VAL A 59 -9.962 -8.621 5.831 1.00 0.00 C ATOM 0 H VAL A 59 -7.058 -8.937 4.590 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.066 -6.826 3.950 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.113 -7.886 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.930 -6.491 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.699 -5.514 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.257 -5.850 5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.393 -8.811 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.747 -8.300 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.503 -9.535 5.453 1.00 0.00 H new ATOM 913 N VAL A 60 -7.580 -4.942 4.895 1.00 0.00 N ATOM 914 CA VAL A 60 -6.638 -3.840 4.988 1.00 0.00 C ATOM 915 C VAL A 60 -7.049 -2.918 6.138 1.00 0.00 C ATOM 916 O VAL A 60 -8.167 -2.404 6.157 1.00 0.00 O ATOM 917 CB VAL A 60 -6.547 -3.115 3.643 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.763 -1.808 3.777 1.00 0.00 C ATOM 919 CG2 VAL A 60 -5.931 -4.018 2.574 1.00 0.00 C ATOM 0 H VAL A 60 -8.556 -4.681 5.034 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.637 -4.211 5.211 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.560 -2.866 3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.713 -1.313 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.263 -1.155 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.753 -2.024 4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.878 -3.478 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.927 -4.312 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.548 -4.908 2.450 1.00 0.00 H new ATOM 929 N ASP A 61 -6.124 -2.737 7.068 1.00 0.00 N ATOM 930 CA ASP A 61 -6.377 -1.886 8.219 1.00 0.00 C ATOM 931 C ASP A 61 -5.363 -0.741 8.233 1.00 0.00 C ATOM 932 O ASP A 61 -4.454 -0.701 7.405 1.00 0.00 O ATOM 933 CB ASP A 61 -6.225 -2.668 9.526 1.00 0.00 C ATOM 934 CG ASP A 61 -7.487 -3.393 9.995 1.00 0.00 C ATOM 935 OD1 ASP A 61 -8.526 -2.708 10.111 1.00 0.00 O ATOM 936 OD2 ASP A 61 -7.385 -4.617 10.228 1.00 0.00 O ATOM 0 H ASP A 61 -5.198 -3.165 7.049 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.396 -1.507 8.141 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.428 -3.401 9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.907 -1.980 10.309 1.00 0.00 H new ATOM 941 N GLY A 62 -5.552 0.163 9.184 1.00 0.00 N ATOM 942 CA GLY A 62 -4.665 1.306 9.316 1.00 0.00 C ATOM 943 C GLY A 62 -5.130 2.466 8.434 1.00 0.00 C ATOM 944 O GLY A 62 -4.736 3.612 8.649 1.00 0.00 O ATOM 0 H GLY A 62 -6.306 0.127 9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.632 1.627 10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.651 1.018 9.039 1.00 0.00 H new ATOM 948 N MET A 63 -5.963 2.130 7.460 1.00 0.00 N ATOM 949 CA MET A 63 -6.486 3.130 6.544 1.00 0.00 C ATOM 950 C MET A 63 -6.930 4.385 7.298 1.00 0.00 C ATOM 951 O MET A 63 -7.467 4.293 8.401 1.00 0.00 O ATOM 952 CB MET A 63 -7.675 2.547 5.777 1.00 0.00 C ATOM 953 CG MET A 63 -7.271 2.159 4.353 1.00 0.00 C ATOM 954 SD MET A 63 -7.816 3.409 3.202 1.00 0.00 S ATOM 955 CE MET A 63 -6.419 3.438 2.092 1.00 0.00 C ATOM 0 H MET A 63 -6.289 1.179 7.285 1.00 0.00 H new ATOM 0 HA MET A 63 -5.694 3.408 5.848 1.00 0.00 H new ATOM 0 HB2 MET A 63 -8.057 1.671 6.302 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.484 3.277 5.743 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.189 2.044 4.292 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.710 1.196 4.091 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.610 4.146 1.286 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.526 3.742 2.638 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.266 2.443 1.673 1.00 0.00 H new ATOM 965 N PRO A 64 -6.683 5.558 6.657 1.00 0.00 N ATOM 966 CA PRO A 64 -7.051 6.830 7.255 1.00 0.00 C ATOM 967 C PRO A 64 -8.561 7.060 7.167 1.00 0.00 C ATOM 968 O PRO A 64 -9.258 6.358 6.436 1.00 0.00 O ATOM 969 CB PRO A 64 -6.246 7.871 6.493 1.00 0.00 C ATOM 970 CG PRO A 64 -5.815 7.199 5.200 1.00 0.00 C ATOM 971 CD PRO A 64 -6.048 5.705 5.350 1.00 0.00 C ATOM 0 HA PRO A 64 -6.827 6.875 8.321 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.846 8.758 6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.381 8.196 7.071 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.385 7.591 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.764 7.403 4.996 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.687 5.322 4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.111 5.151 5.301 1.00 0.00 H new ATOM 979 N PRO A 65 -9.034 8.073 7.942 1.00 0.00 N ATOM 980 CA PRO A 65 -10.449 8.404 7.959 1.00 0.00 C ATOM 981 C PRO A 65 -10.853 9.146 6.683 1.00 0.00 C ATOM 982 O PRO A 65 -10.128 10.022 6.214 1.00 0.00 O ATOM 983 CB PRO A 65 -10.643 9.236 9.216 1.00 0.00 C ATOM 984 CG PRO A 65 -9.260 9.729 9.608 1.00 0.00 C ATOM 985 CD PRO A 65 -8.238 8.925 8.820 1.00 0.00 C ATOM 0 HA PRO A 65 -11.088 7.521 7.979 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.317 10.072 9.031 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.086 8.640 10.014 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.158 10.792 9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.100 9.605 10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.578 9.576 8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.606 8.332 9.481 1.00 0.00 H new ATOM 993 N GLY A 66 -12.009 8.768 6.158 1.00 0.00 N ATOM 994 CA GLY A 66 -12.519 9.386 4.946 1.00 0.00 C ATOM 995 C GLY A 66 -11.578 9.135 3.765 1.00 0.00 C ATOM 996 O GLY A 66 -11.495 9.952 2.849 1.00 0.00 O ATOM 0 H GLY A 66 -12.607 8.041 6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.508 8.988 4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.635 10.459 5.102 1.00 0.00 H new ATOM 1000 N VAL A 67 -10.893 8.003 3.826 1.00 0.00 N ATOM 1001 CA VAL A 67 -9.962 7.634 2.773 1.00 0.00 C ATOM 1002 C VAL A 67 -10.198 6.175 2.378 1.00 0.00 C ATOM 1003 O VAL A 67 -10.027 5.271 3.194 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.526 7.906 3.226 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.520 7.399 2.191 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.315 9.394 3.514 1.00 0.00 C ATOM 0 H VAL A 67 -10.964 7.329 4.588 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.129 8.242 1.884 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.357 7.358 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.507 7.605 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.647 6.325 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.689 7.906 1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.286 9.560 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.512 9.971 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.996 9.712 4.303 1.00 0.00 H new ATOM 1016 N SER A 68 -10.587 5.990 1.125 1.00 0.00 N ATOM 1017 CA SER A 68 -10.848 4.657 0.611 1.00 0.00 C ATOM 1018 C SER A 68 -9.557 4.044 0.065 1.00 0.00 C ATOM 1019 O SER A 68 -8.727 4.748 -0.509 1.00 0.00 O ATOM 1020 CB SER A 68 -11.924 4.686 -0.477 1.00 0.00 C ATOM 1021 OG SER A 68 -12.890 5.707 -0.245 1.00 0.00 O ATOM 0 H SER A 68 -10.728 6.742 0.450 1.00 0.00 H new ATOM 0 HA SER A 68 -11.216 4.041 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.454 4.845 -1.448 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.423 3.718 -0.519 1.00 0.00 H new ATOM 0 HG SER A 68 -13.558 5.694 -0.962 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.428 2.740 0.262 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.252 2.026 -0.204 1.00 0.00 C ATOM 1029 C PHE A 69 -8.418 1.586 -1.660 1.00 0.00 C ATOM 1030 O PHE A 69 -9.476 1.091 -2.046 1.00 0.00 O ATOM 1031 CB PHE A 69 -8.105 0.784 0.678 1.00 0.00 C ATOM 1032 CG PHE A 69 -7.090 -0.234 0.155 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.764 0.069 0.151 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.513 -1.442 -0.306 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.821 -0.875 -0.335 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.570 -2.386 -0.792 1.00 0.00 C ATOM 1037 CZ PHE A 69 -5.244 -2.083 -0.796 1.00 0.00 C ATOM 0 H PHE A 69 -10.119 2.160 0.738 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.377 2.673 -0.146 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.809 1.095 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.077 0.299 0.769 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.428 1.028 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.566 -1.683 -0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.768 -0.634 -0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.906 -3.345 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.527 -2.801 -1.165 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.358 1.784 -2.429 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.373 1.414 -3.834 1.00 0.00 C ATOM 1049 C LYS A 70 -6.012 1.734 -4.456 1.00 0.00 C ATOM 1050 O LYS A 70 -5.159 2.343 -3.812 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.548 2.081 -4.551 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.495 3.602 -4.393 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.774 4.253 -4.925 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.709 4.641 -3.778 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.675 5.671 -4.223 1.00 0.00 N ATOM 0 H LYS A 70 -6.483 2.196 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.530 0.341 -3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.528 1.821 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.487 1.702 -4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.363 3.858 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.632 3.997 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.520 5.139 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.284 3.564 -5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.245 3.760 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.126 5.019 -2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.302 5.923 -3.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.159 6.517 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.243 5.297 -5.010 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.851 1.310 -5.700 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.608 1.543 -6.416 1.00 0.00 C ATOM 1071 C ALA A 71 -4.298 3.041 -6.414 1.00 0.00 C ATOM 1072 O ALA A 71 -5.207 3.867 -6.350 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.719 0.972 -7.831 1.00 0.00 C ATOM 0 H ALA A 71 -6.561 0.806 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.779 1.034 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.787 1.147 -8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.911 -0.100 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.538 1.461 -8.358 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.976 3.354 -6.488 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.535 4.739 -6.496 1.00 0.00 C ATOM 1081 C PRO A 72 -2.801 5.392 -7.853 1.00 0.00 C ATOM 1082 O PRO A 72 -2.643 6.602 -8.006 1.00 0.00 O ATOM 1083 CB PRO A 72 -1.057 4.682 -6.143 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.620 3.250 -6.407 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.872 2.403 -6.566 1.00 0.00 C ATOM 0 HA PRO A 72 -3.078 5.358 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.483 5.383 -6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.894 4.954 -5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.007 3.198 -7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.010 2.879 -5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.873 1.873 -7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.942 1.649 -5.782 1.00 0.00 H new ATOM 1093 N SER A 73 -3.200 4.561 -8.806 1.00 0.00 N ATOM 1094 CA SER A 73 -3.490 5.043 -10.145 1.00 0.00 C ATOM 1095 C SER A 73 -4.807 5.821 -10.149 1.00 0.00 C ATOM 1096 O SER A 73 -5.057 6.623 -11.047 1.00 0.00 O ATOM 1097 CB SER A 73 -3.554 3.886 -11.145 1.00 0.00 C ATOM 1098 OG SER A 73 -3.835 4.338 -12.467 1.00 0.00 O ATOM 0 H SER A 73 -3.329 3.558 -8.677 1.00 0.00 H new ATOM 0 HA SER A 73 -2.682 5.708 -10.451 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.605 3.349 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.322 3.179 -10.833 1.00 0.00 H new ATOM 0 HG SER A 73 -3.866 3.570 -13.075 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.616 5.556 -9.134 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.902 6.221 -9.008 1.00 0.00 C ATOM 1106 C TYR A 74 -6.867 7.278 -7.903 1.00 0.00 C ATOM 1107 O TYR A 74 -7.507 8.323 -8.018 1.00 0.00 O ATOM 1108 CB TYR A 74 -7.905 5.131 -8.623 1.00 0.00 C ATOM 1109 CG TYR A 74 -7.946 3.951 -9.596 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -7.721 4.158 -10.941 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.207 2.679 -9.127 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -7.760 3.048 -11.857 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.246 1.569 -10.043 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.020 1.808 -11.363 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.057 0.759 -12.228 1.00 0.00 O ATOM 0 H TYR A 74 -5.406 4.890 -8.391 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.167 6.723 -9.939 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.659 4.760 -7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.900 5.572 -8.561 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.516 5.153 -11.307 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.382 2.517 -8.074 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.587 3.197 -12.913 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.450 0.569 -9.690 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.252 -0.065 -11.735 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.113 6.972 -6.858 1.00 0.00 N ATOM 1126 CA LEU A 75 -5.986 7.883 -5.734 1.00 0.00 C ATOM 1127 C LEU A 75 -5.340 9.186 -6.209 1.00 0.00 C ATOM 1128 O LEU A 75 -4.571 9.187 -7.169 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.238 7.210 -4.581 1.00 0.00 C ATOM 1130 CG LEU A 75 -5.882 5.945 -4.010 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -4.977 5.293 -2.963 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.277 6.243 -3.457 1.00 0.00 C ATOM 0 H LEU A 75 -5.583 6.105 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.969 8.140 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.234 6.960 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.129 7.934 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.003 5.227 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.459 4.396 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.025 5.024 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.801 5.994 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.713 5.328 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.203 6.986 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.911 6.628 -4.256 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.675 10.263 -5.514 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.137 11.569 -5.854 1.00 0.00 C ATOM 1146 C GLU A 76 -3.898 11.869 -5.007 1.00 0.00 C ATOM 1147 O GLU A 76 -3.667 11.221 -3.988 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.196 12.660 -5.681 1.00 0.00 C ATOM 1149 CG GLU A 76 -6.859 12.997 -7.018 1.00 0.00 C ATOM 1150 CD GLU A 76 -5.813 13.370 -8.070 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -5.060 14.332 -7.805 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -5.791 12.686 -9.116 1.00 0.00 O ATOM 0 H GLU A 76 -6.312 10.258 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.842 11.557 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.952 12.328 -4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.736 13.555 -5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.441 12.143 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.556 13.824 -6.884 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.134 12.852 -5.462 1.00 0.00 N ATOM 1160 CA ILE A 77 -1.925 13.245 -4.759 1.00 0.00 C ATOM 1161 C ILE A 77 -2.235 13.406 -3.270 1.00 0.00 C ATOM 1162 O ILE A 77 -1.533 12.855 -2.423 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.316 14.495 -5.399 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -1.059 14.277 -6.892 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.050 14.930 -4.657 1.00 0.00 C ATOM 1166 CD1 ILE A 77 -0.043 15.288 -7.427 1.00 0.00 C ATOM 0 H ILE A 77 -3.329 13.387 -6.308 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.165 12.468 -4.844 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.036 15.309 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.691 13.264 -7.057 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.995 14.370 -7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.363 15.820 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.295 15.154 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.686 14.127 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.121 15.111 -8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.425 16.299 -7.282 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.899 15.176 -6.890 1.00 0.00 H new ATOM 1178 N SER A 78 -3.286 14.165 -2.995 1.00 0.00 N ATOM 1179 CA SER A 78 -3.697 14.405 -1.623 1.00 0.00 C ATOM 1180 C SER A 78 -3.910 13.074 -0.899 1.00 0.00 C ATOM 1181 O SER A 78 -3.294 12.821 0.135 1.00 0.00 O ATOM 1182 CB SER A 78 -4.974 15.247 -1.570 1.00 0.00 C ATOM 1183 OG SER A 78 -6.039 14.649 -2.303 1.00 0.00 O ATOM 0 H SER A 78 -3.865 14.622 -3.700 1.00 0.00 H new ATOM 0 HA SER A 78 -2.905 14.961 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.278 15.379 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.770 16.240 -1.971 1.00 0.00 H new ATOM 0 HG SER A 78 -6.836 15.216 -2.243 1.00 0.00 H new ATOM 1189 N SER A 79 -4.782 12.258 -1.472 1.00 0.00 N ATOM 1190 CA SER A 79 -5.083 10.959 -0.894 1.00 0.00 C ATOM 1191 C SER A 79 -3.786 10.244 -0.510 1.00 0.00 C ATOM 1192 O SER A 79 -3.546 9.976 0.666 1.00 0.00 O ATOM 1193 CB SER A 79 -5.896 10.099 -1.865 1.00 0.00 C ATOM 1194 OG SER A 79 -7.299 10.272 -1.685 1.00 0.00 O ATOM 0 H SER A 79 -5.290 12.471 -2.331 1.00 0.00 H new ATOM 0 HA SER A 79 -5.684 11.114 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.627 10.357 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.639 9.049 -1.722 1.00 0.00 H new ATOM 0 HG SER A 79 -7.783 9.708 -2.324 1.00 0.00 H new ATOM 1200 N MET A 80 -2.984 9.956 -1.525 1.00 0.00 N ATOM 1201 CA MET A 80 -1.718 9.277 -1.308 1.00 0.00 C ATOM 1202 C MET A 80 -1.003 9.832 -0.075 1.00 0.00 C ATOM 1203 O MET A 80 -0.684 9.086 0.850 1.00 0.00 O ATOM 1204 CB MET A 80 -0.826 9.455 -2.539 1.00 0.00 C ATOM 1205 CG MET A 80 -1.392 8.696 -3.741 1.00 0.00 C ATOM 1206 SD MET A 80 -0.215 8.711 -5.082 1.00 0.00 S ATOM 1207 CE MET A 80 -0.814 10.117 -6.005 1.00 0.00 C ATOM 0 H MET A 80 -3.186 10.180 -2.499 1.00 0.00 H new ATOM 0 HA MET A 80 -1.918 8.218 -1.143 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.741 10.514 -2.781 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.180 9.097 -2.319 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.620 7.668 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.328 9.153 -4.062 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.823 9.877 -7.068 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.825 10.362 -5.680 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.160 10.972 -5.831 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.772 11.136 -0.100 1.00 0.00 N ATOM 1218 CA ARG A 81 -0.100 11.799 1.004 1.00 0.00 C ATOM 1219 C ARG A 81 -0.661 11.305 2.340 1.00 0.00 C ATOM 1220 O ARG A 81 0.097 10.950 3.241 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.267 13.317 0.919 1.00 0.00 C ATOM 1222 CG ARG A 81 0.823 13.940 0.045 1.00 0.00 C ATOM 1223 CD ARG A 81 2.214 13.493 0.499 1.00 0.00 C ATOM 1224 NE ARG A 81 3.199 14.568 0.247 1.00 0.00 N ATOM 1225 CZ ARG A 81 4.405 14.632 0.828 1.00 0.00 C ATOM 1226 NH1 ARG A 81 4.782 13.685 1.698 1.00 0.00 N ATOM 1227 NH2 ARG A 81 5.234 15.645 0.539 1.00 0.00 N ATOM 0 H ARG A 81 -1.039 11.752 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 81 0.961 11.558 0.939 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.248 13.556 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.226 13.748 1.920 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.667 13.654 -0.995 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.754 15.027 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.197 13.246 1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.506 12.588 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 81 2.944 15.306 -0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.151 12.915 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.700 13.735 2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.947 16.366 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.152 15.695 0.981 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.983 11.299 2.424 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.654 10.855 3.634 1.00 0.00 C ATOM 1243 C ARG A 82 -2.196 9.444 4.007 1.00 0.00 C ATOM 1244 O ARG A 82 -1.545 9.249 5.032 1.00 0.00 O ATOM 1245 CB ARG A 82 -4.173 10.861 3.455 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.623 12.063 2.622 1.00 0.00 C ATOM 1247 CD ARG A 82 -6.022 12.524 3.036 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.782 12.965 1.845 1.00 0.00 N ATOM 1249 CZ ARG A 82 -8.116 13.088 1.809 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.845 12.806 2.897 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.721 13.495 0.685 1.00 0.00 N ATOM 0 H ARG A 82 -2.608 11.595 1.674 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.392 11.549 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.489 9.938 2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.658 10.889 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.915 12.882 2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -4.621 11.798 1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.550 11.710 3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.947 13.341 3.753 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.258 13.189 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.385 12.498 3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.860 12.900 2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.166 13.711 -0.143 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.736 13.589 0.657 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.555 8.495 3.154 1.00 0.00 N ATOM 1266 CA ILE A 83 -2.189 7.108 3.381 1.00 0.00 C ATOM 1267 C ILE A 83 -0.763 7.044 3.932 1.00 0.00 C ATOM 1268 O ILE A 83 -0.524 6.447 4.980 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.394 6.284 2.109 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.883 6.099 1.810 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.657 4.946 2.196 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.135 6.023 0.302 1.00 0.00 C ATOM 0 H ILE A 83 -3.095 8.660 2.305 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.841 6.661 4.131 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.963 6.835 1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.243 5.188 2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.449 6.928 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.820 4.381 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.590 5.126 2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.035 4.377 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.201 5.891 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.796 6.945 -0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.587 5.178 -0.116 1.00 0.00 H new ATOM 1284 N LEU A 84 0.148 7.668 3.199 1.00 0.00 N ATOM 1285 CA LEU A 84 1.544 7.690 3.601 1.00 0.00 C ATOM 1286 C LEU A 84 1.644 8.143 5.059 1.00 0.00 C ATOM 1287 O LEU A 84 2.293 7.488 5.873 1.00 0.00 O ATOM 1288 CB LEU A 84 2.367 8.544 2.634 1.00 0.00 C ATOM 1289 CG LEU A 84 2.646 7.925 1.263 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.226 8.962 0.300 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.547 6.694 1.391 1.00 0.00 C ATOM 0 H LEU A 84 -0.054 8.162 2.330 1.00 0.00 H new ATOM 0 HA LEU A 84 1.971 6.688 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.848 9.491 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.321 8.775 3.107 1.00 0.00 H new ATOM 0 HG LEU A 84 1.699 7.589 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.415 8.495 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.516 9.780 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.161 9.351 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.730 6.273 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.496 6.983 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.058 5.949 2.018 1.00 0.00 H new ATOM 1303 N ASP A 85 0.992 9.261 5.344 1.00 0.00 N ATOM 1304 CA ASP A 85 1.000 9.809 6.689 1.00 0.00 C ATOM 1305 C ASP A 85 0.733 8.687 7.694 1.00 0.00 C ATOM 1306 O ASP A 85 1.151 8.770 8.848 1.00 0.00 O ATOM 1307 CB ASP A 85 -0.094 10.866 6.859 1.00 0.00 C ATOM 1308 CG ASP A 85 0.225 11.969 7.870 1.00 0.00 C ATOM 1309 OD1 ASP A 85 1.408 12.054 8.264 1.00 0.00 O ATOM 1310 OD2 ASP A 85 -0.722 12.703 8.227 1.00 0.00 O ATOM 0 H ASP A 85 0.455 9.802 4.666 1.00 0.00 H new ATOM 0 HA ASP A 85 1.974 10.267 6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.287 11.327 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.015 10.369 7.165 1.00 0.00 H new ATOM 1315 N SER A 86 0.039 7.663 7.219 1.00 0.00 N ATOM 1316 CA SER A 86 -0.288 6.526 8.062 1.00 0.00 C ATOM 1317 C SER A 86 0.273 5.241 7.448 1.00 0.00 C ATOM 1318 O SER A 86 -0.359 4.188 7.518 1.00 0.00 O ATOM 1319 CB SER A 86 -1.801 6.403 8.259 1.00 0.00 C ATOM 1320 OG SER A 86 -2.154 6.323 9.637 1.00 0.00 O ATOM 0 H SER A 86 -0.306 7.597 6.261 1.00 0.00 H new ATOM 0 HA SER A 86 0.167 6.683 9.040 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.297 7.262 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.164 5.516 7.740 1.00 0.00 H new ATOM 0 HG SER A 86 -1.374 6.544 10.188 1.00 0.00 H new ATOM 1326 N ALA A 87 1.453 5.370 6.860 1.00 0.00 N ATOM 1327 CA ALA A 87 2.106 4.233 6.234 1.00 0.00 C ATOM 1328 C ALA A 87 2.208 3.090 7.245 1.00 0.00 C ATOM 1329 O ALA A 87 1.524 2.076 7.113 1.00 0.00 O ATOM 1330 CB ALA A 87 3.473 4.661 5.698 1.00 0.00 C ATOM 0 H ALA A 87 1.974 6.245 6.804 1.00 0.00 H new ATOM 0 HA ALA A 87 1.522 3.873 5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.963 3.808 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.343 5.455 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.089 5.025 6.520 1.00 0.00 H new ATOM 1336 N GLU A 88 3.068 3.291 8.233 1.00 0.00 N ATOM 1337 CA GLU A 88 3.269 2.289 9.266 1.00 0.00 C ATOM 1338 C GLU A 88 1.921 1.802 9.803 1.00 0.00 C ATOM 1339 O GLU A 88 1.766 0.626 10.128 1.00 0.00 O ATOM 1340 CB GLU A 88 4.144 2.834 10.396 1.00 0.00 C ATOM 1341 CG GLU A 88 3.462 4.007 11.101 1.00 0.00 C ATOM 1342 CD GLU A 88 4.418 4.688 12.083 1.00 0.00 C ATOM 1343 OE1 GLU A 88 5.451 5.202 11.605 1.00 0.00 O ATOM 1344 OE2 GLU A 88 4.093 4.678 13.291 1.00 0.00 O ATOM 0 H GLU A 88 3.634 4.133 8.340 1.00 0.00 H new ATOM 0 HA GLU A 88 3.791 1.440 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.349 2.042 11.116 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.105 3.156 9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.119 4.730 10.361 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.580 3.652 11.634 1.00 0.00 H new ATOM 1351 N PHE A 89 0.980 2.732 9.879 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.349 2.413 10.371 1.00 0.00 C ATOM 1353 C PHE A 89 -1.024 1.363 9.486 1.00 0.00 C ATOM 1354 O PHE A 89 -1.739 0.494 9.983 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.167 3.706 10.322 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.374 4.364 11.687 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.126 3.741 12.634 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -0.806 5.570 11.954 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.319 4.352 13.902 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -0.999 6.181 13.222 1.00 0.00 C ATOM 1361 CZ PHE A 89 -1.751 5.558 14.169 1.00 0.00 C ATOM 0 H PHE A 89 1.112 3.706 9.608 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.284 2.010 11.382 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.668 4.414 9.661 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.141 3.491 9.882 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.576 2.782 12.422 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.208 6.064 11.202 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.917 3.858 14.654 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.549 7.140 13.434 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.897 6.022 15.133 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.773 1.478 8.190 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.347 0.550 7.231 1.00 0.00 C ATOM 1373 C ILE A 90 -1.138 -0.883 7.727 1.00 0.00 C ATOM 1374 O ILE A 90 -0.198 -1.154 8.473 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.782 0.806 5.833 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -0.978 2.266 5.421 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.383 -0.163 4.813 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.304 2.813 5.954 1.00 0.00 C ATOM 0 H ILE A 90 -0.180 2.200 7.782 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.423 0.705 7.147 1.00 0.00 H new ATOM 0 HB ILE A 90 0.292 0.621 5.860 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.153 2.869 5.801 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.958 2.347 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.964 0.041 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.149 -1.187 5.102 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.465 -0.033 4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.418 3.853 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.128 2.223 5.553 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.311 2.753 7.042 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.029 -1.761 7.292 1.00 0.00 N ATOM 1391 CA LYS A 91 -1.953 -3.159 7.682 1.00 0.00 C ATOM 1392 C LYS A 91 -2.791 -3.999 6.716 1.00 0.00 C ATOM 1393 O LYS A 91 -3.782 -3.519 6.168 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.352 -3.328 9.149 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.847 -4.662 9.704 1.00 0.00 C ATOM 1396 CD LYS A 91 -2.778 -5.188 10.798 1.00 0.00 C ATOM 1397 CE LYS A 91 -2.240 -4.843 12.188 1.00 0.00 C ATOM 1398 NZ LYS A 91 -2.387 -5.998 13.102 1.00 0.00 N ATOM 0 H LYS A 91 -2.807 -1.532 6.674 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.927 -3.520 7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -1.943 -2.507 9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.437 -3.278 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.778 -5.393 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.842 -4.535 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.772 -4.759 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.883 -6.269 10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.190 -4.559 12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.777 -3.983 12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.017 -5.747 14.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.392 -6.251 13.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.855 -6.808 12.726 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.362 -5.240 6.537 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.061 -6.152 5.647 1.00 0.00 C ATOM 1414 C PHE A 92 -3.205 -7.536 6.283 1.00 0.00 C ATOM 1415 O PHE A 92 -2.210 -8.197 6.572 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.215 -6.273 4.377 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.462 -5.161 3.357 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -2.078 -3.886 3.634 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -3.065 -5.446 2.172 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -2.307 -2.853 2.687 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -3.294 -4.413 1.224 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.910 -3.138 1.502 1.00 0.00 C ATOM 0 H PHE A 92 -1.540 -5.635 6.993 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.061 -5.773 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.161 -6.271 4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.419 -7.235 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.599 -3.659 4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.370 -6.458 1.951 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.002 -1.841 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.773 -4.640 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.084 -2.352 0.782 1.00 0.00 H new ATOM 1432 N THR A 93 -4.454 -7.933 6.482 1.00 0.00 N ATOM 1433 CA THR A 93 -4.742 -9.226 7.078 1.00 0.00 C ATOM 1434 C THR A 93 -5.180 -10.223 6.004 1.00 0.00 C ATOM 1435 O THR A 93 -6.102 -9.950 5.237 1.00 0.00 O ATOM 1436 CB THR A 93 -5.786 -9.018 8.177 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.358 -7.833 8.843 1.00 0.00 O ATOM 1438 CG2 THR A 93 -5.722 -10.098 9.258 1.00 0.00 C ATOM 0 H THR A 93 -5.277 -7.382 6.241 1.00 0.00 H new ATOM 0 HA THR A 93 -3.851 -9.659 7.534 1.00 0.00 H new ATOM 0 HB THR A 93 -6.782 -9.008 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.980 -7.624 9.570 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.484 -9.903 10.013 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.900 -11.075 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.737 -10.087 9.725 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.499 -11.359 5.983 1.00 0.00 N ATOM 1447 CA VAL A 94 -4.806 -12.399 5.016 1.00 0.00 C ATOM 1448 C VAL A 94 -5.716 -13.442 5.667 1.00 0.00 C ATOM 1449 O VAL A 94 -5.281 -14.555 5.960 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.512 -12.997 4.461 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -3.805 -14.202 3.565 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -2.697 -11.941 3.711 1.00 0.00 C ATOM 0 H VAL A 94 -3.735 -11.582 6.621 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.346 -11.982 4.166 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.915 -13.344 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.868 -14.608 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.324 -14.967 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.432 -13.890 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.782 -12.393 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.285 -11.550 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.442 -11.128 4.390 1.00 0.00 H new ATOM 1462 N ILE A 95 -6.964 -13.047 5.873 1.00 0.00 N ATOM 1463 CA ILE A 95 -7.939 -13.934 6.484 1.00 0.00 C ATOM 1464 C ILE A 95 -8.060 -15.207 5.645 1.00 0.00 C ATOM 1465 O ILE A 95 -7.920 -16.313 6.164 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.269 -13.206 6.693 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.164 -12.187 7.829 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.409 -14.201 6.919 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.345 -10.968 7.398 1.00 0.00 C ATOM 0 H ILE A 95 -7.322 -12.124 5.627 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.608 -14.237 7.478 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.501 -12.651 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.162 -11.870 8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.700 -12.653 8.698 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.343 -13.658 7.065 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.500 -14.853 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.197 -14.802 7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.286 -10.259 8.224 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.340 -11.285 7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.825 -10.491 6.544 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.318 -15.009 4.360 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.459 -16.127 3.444 1.00 0.00 C ATOM 1483 C ARG A 96 -7.806 -15.798 2.100 1.00 0.00 C ATOM 1484 O ARG A 96 -8.067 -14.744 1.521 1.00 0.00 O ATOM 1485 CB ARG A 96 -9.933 -16.470 3.217 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.654 -16.700 4.546 1.00 0.00 C ATOM 1487 CD ARG A 96 -11.429 -18.019 4.529 1.00 0.00 C ATOM 1488 NE ARG A 96 -10.505 -19.152 4.762 1.00 0.00 N ATOM 1489 CZ ARG A 96 -10.873 -20.440 4.730 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -12.147 -20.767 4.476 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -9.967 -21.401 4.953 1.00 0.00 N ATOM 0 H ARG A 96 -8.433 -14.090 3.932 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.962 -16.988 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.418 -15.661 2.671 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.011 -17.364 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.929 -16.711 5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.339 -15.874 4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.202 -18.006 5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.934 -18.142 3.571 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.527 -18.939 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.837 -20.035 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.427 -21.748 4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -8.997 -21.152 5.147 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.247 -22.381 4.929 1.00 0.00 H new