USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 HIS : no HD1:sc= 0.0757 K(o=-0.9,f=-2.6!) USER MOD Set 1.2: A 99 SER OG : rot 99:sc= -0.975 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.158 K(o=-0.95,f=-2.7) USER MOD Set 2.2: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 86 ASN : amide:sc= -0.793 K(o=-0.95,f=-1.9) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc=-0.00813 (180deg=-0.0681) USER MOD Single : A 29 TYR OH : rot 106:sc= 0.00583 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -175:sc= -1.24 (180deg=-1.29) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 34 HIS : no HD1:sc= -0.125 X(o=-0.12,f=0.024) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.942 K(o=0.94,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 97:sc= 1.19 USER MOD Single : A 61 SER OG : rot -154:sc= 1.23 USER MOD Single : A 67 HIS : no HD1:sc= 0.528 K(o=0.53,f=-6!) USER MOD Single : A 68 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.3) USER MOD Single : A 72 THR OG1 : rot 66:sc= 1.02 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 72:sc= 0.402 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 62:sc= 1.23 USER MOD Single : A 102 GLN : amide:sc= -1.58 X(o=-1.6,f=-1.4) USER MOD Single : A 104 SER OG : rot 56:sc= 0.326 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -54:sc= 0.939 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 17 -2.190 9.999 13.397 1.00 0.00 N ATOM 198 CA LYS A 17 -2.732 8.880 12.630 1.00 0.00 C ATOM 199 C LYS A 17 -2.674 9.224 11.141 1.00 0.00 C ATOM 200 O LYS A 17 -2.014 8.522 10.368 1.00 0.00 O ATOM 201 CB LYS A 17 -4.158 8.539 13.105 1.00 0.00 C ATOM 202 CG LYS A 17 -4.571 7.114 12.690 1.00 0.00 C ATOM 203 CD LYS A 17 -5.881 7.065 11.897 1.00 0.00 C ATOM 204 CE LYS A 17 -7.107 7.244 12.798 1.00 0.00 C ATOM 205 NZ LYS A 17 -8.339 7.352 11.995 1.00 0.00 N ATOM 0 HA LYS A 17 -2.132 7.985 12.793 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.212 8.632 14.190 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.862 9.258 12.687 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.775 6.674 12.089 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.673 6.499 13.584 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.873 7.846 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.952 6.111 11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.187 6.399 13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.987 8.139 13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.156 7.473 12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.269 8.172 11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.463 6.487 11.431 1.00 0.00 H new ATOM 219 N ALA A 18 -3.216 10.391 10.786 1.00 0.00 N ATOM 220 CA ALA A 18 -3.225 10.875 9.418 1.00 0.00 C ATOM 221 C ALA A 18 -1.807 11.131 8.898 1.00 0.00 C ATOM 222 O ALA A 18 -1.533 10.780 7.751 1.00 0.00 O ATOM 223 CB ALA A 18 -4.107 12.119 9.322 1.00 0.00 C ATOM 0 H ALA A 18 -3.662 11.025 11.449 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.647 10.103 8.774 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.113 12.482 8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.124 11.868 9.625 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.714 12.895 9.979 1.00 0.00 H new ATOM 229 N ALA A 19 -0.902 11.682 9.714 1.00 0.00 N ATOM 230 CA ALA A 19 0.466 11.978 9.301 1.00 0.00 C ATOM 231 C ALA A 19 1.235 10.723 8.898 1.00 0.00 C ATOM 232 O ALA A 19 2.005 10.782 7.941 1.00 0.00 O ATOM 233 CB ALA A 19 1.220 12.716 10.407 1.00 0.00 C ATOM 0 H ALA A 19 -1.102 11.934 10.682 1.00 0.00 H new ATOM 0 HA ALA A 19 0.395 12.620 8.423 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.237 12.926 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.711 13.653 10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.250 12.096 11.303 1.00 0.00 H new ATOM 239 N GLY A 20 1.050 9.595 9.586 1.00 0.00 N ATOM 240 CA GLY A 20 1.740 8.356 9.229 1.00 0.00 C ATOM 241 C GLY A 20 1.161 7.740 7.958 1.00 0.00 C ATOM 242 O GLY A 20 1.885 7.132 7.177 1.00 0.00 O ATOM 0 H GLY A 20 0.430 9.515 10.392 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.802 8.558 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.659 7.643 10.050 1.00 0.00 H new ATOM 246 N GLU A 21 -0.135 7.922 7.708 1.00 0.00 N ATOM 247 CA GLU A 21 -0.767 7.530 6.452 1.00 0.00 C ATOM 248 C GLU A 21 -0.234 8.398 5.309 1.00 0.00 C ATOM 249 O GLU A 21 0.144 7.852 4.276 1.00 0.00 O ATOM 250 CB GLU A 21 -2.287 7.641 6.602 1.00 0.00 C ATOM 251 CG GLU A 21 -2.881 6.509 7.460 1.00 0.00 C ATOM 252 CD GLU A 21 -4.019 6.998 8.369 1.00 0.00 C ATOM 253 OE1 GLU A 21 -4.735 7.961 7.992 1.00 0.00 O ATOM 254 OE2 GLU A 21 -4.177 6.382 9.450 1.00 0.00 O ATOM 0 H GLU A 21 -0.778 8.348 8.375 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.526 6.495 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.535 8.602 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.748 7.624 5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.255 5.720 6.807 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.094 6.070 8.073 1.00 0.00 H new ATOM 261 N VAL A 22 -0.119 9.718 5.506 1.00 0.00 N ATOM 262 CA VAL A 22 0.540 10.621 4.562 1.00 0.00 C ATOM 263 C VAL A 22 1.965 10.139 4.327 1.00 0.00 C ATOM 264 O VAL A 22 2.392 10.076 3.185 1.00 0.00 O ATOM 265 CB VAL A 22 0.522 12.078 5.078 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.460 13.008 4.293 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.878 12.678 4.979 1.00 0.00 C ATOM 0 H VAL A 22 -0.485 10.190 6.333 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.003 10.611 3.617 1.00 0.00 H new ATOM 0 HB VAL A 22 0.858 12.015 6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.401 14.016 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.484 12.643 4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.161 13.026 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.861 13.703 5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.203 12.673 3.939 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.570 12.087 5.579 1.00 0.00 H new ATOM 277 N LYS A 23 2.710 9.790 5.378 1.00 0.00 N ATOM 278 CA LYS A 23 4.103 9.390 5.241 1.00 0.00 C ATOM 279 C LYS A 23 4.205 8.157 4.360 1.00 0.00 C ATOM 280 O LYS A 23 5.018 8.154 3.444 1.00 0.00 O ATOM 281 CB LYS A 23 4.710 9.166 6.632 1.00 0.00 C ATOM 282 CG LYS A 23 6.239 9.257 6.627 1.00 0.00 C ATOM 283 CD LYS A 23 6.894 7.890 6.410 1.00 0.00 C ATOM 284 CE LYS A 23 8.418 7.978 6.378 1.00 0.00 C ATOM 285 NZ LYS A 23 9.014 8.573 7.596 1.00 0.00 N ATOM 0 H LYS A 23 2.364 9.778 6.338 1.00 0.00 H new ATOM 0 HA LYS A 23 4.675 10.180 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.308 9.906 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.409 8.186 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.559 9.941 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.580 9.677 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.588 7.212 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.537 7.463 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.826 6.977 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.719 8.569 5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.050 8.491 7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.749 9.577 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.663 8.070 8.436 1.00 0.00 H new ATOM 299 N ALA A 24 3.391 7.131 4.613 1.00 0.00 N ATOM 300 CA ALA A 24 3.340 5.948 3.776 1.00 0.00 C ATOM 301 C ALA A 24 2.956 6.297 2.336 1.00 0.00 C ATOM 302 O ALA A 24 3.504 5.702 1.414 1.00 0.00 O ATOM 303 CB ALA A 24 2.364 4.933 4.369 1.00 0.00 C ATOM 0 H ALA A 24 2.751 7.104 5.407 1.00 0.00 H new ATOM 0 HA ALA A 24 4.336 5.506 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.331 4.047 3.735 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.694 4.652 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.369 5.375 4.427 1.00 0.00 H new ATOM 309 N LEU A 25 2.040 7.244 2.110 1.00 0.00 N ATOM 310 CA LEU A 25 1.711 7.680 0.757 1.00 0.00 C ATOM 311 C LEU A 25 2.923 8.354 0.102 1.00 0.00 C ATOM 312 O LEU A 25 3.286 7.998 -1.011 1.00 0.00 O ATOM 313 CB LEU A 25 0.534 8.657 0.791 1.00 0.00 C ATOM 314 CG LEU A 25 0.072 9.041 -0.623 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.116 8.237 -1.163 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.283 10.511 -0.559 1.00 0.00 C ATOM 0 H LEU A 25 1.517 7.719 2.846 1.00 0.00 H new ATOM 0 HA LEU A 25 1.434 6.804 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.296 8.207 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.823 9.556 1.336 1.00 0.00 H new ATOM 0 HG LEU A 25 0.880 8.817 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.364 8.584 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.853 7.180 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.976 8.375 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.621 10.847 -1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.079 10.662 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.595 11.085 -0.262 1.00 0.00 H new ATOM 328 N ASP A 26 3.554 9.321 0.768 1.00 0.00 N ATOM 329 CA ASP A 26 4.698 10.070 0.244 1.00 0.00 C ATOM 330 C ASP A 26 5.884 9.133 0.004 1.00 0.00 C ATOM 331 O ASP A 26 6.660 9.350 -0.921 1.00 0.00 O ATOM 332 CB ASP A 26 5.097 11.198 1.219 1.00 0.00 C ATOM 333 CG ASP A 26 4.910 12.599 0.619 1.00 0.00 C ATOM 334 OD1 ASP A 26 3.800 13.161 0.767 1.00 0.00 O ATOM 335 OD2 ASP A 26 5.865 13.200 0.056 1.00 0.00 O ATOM 0 H ASP A 26 3.279 9.612 1.706 1.00 0.00 H new ATOM 0 HA ASP A 26 4.410 10.519 -0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.500 11.114 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.140 11.069 1.510 1.00 0.00 H new ATOM 340 N ASP A 27 6.050 8.097 0.833 1.00 0.00 N ATOM 341 CA ASP A 27 7.077 7.064 0.697 1.00 0.00 C ATOM 342 C ASP A 27 6.767 6.168 -0.502 1.00 0.00 C ATOM 343 O ASP A 27 7.658 5.860 -1.297 1.00 0.00 O ATOM 344 CB ASP A 27 7.206 6.207 1.975 1.00 0.00 C ATOM 345 CG ASP A 27 8.202 6.726 3.026 1.00 0.00 C ATOM 346 OD1 ASP A 27 8.733 7.862 2.890 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.500 5.962 3.977 1.00 0.00 O ATOM 0 H ASP A 27 5.451 7.951 1.645 1.00 0.00 H new ATOM 0 HA ASP A 27 8.030 7.569 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.223 6.129 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.503 5.199 1.686 1.00 0.00 H new ATOM 352 N PHE A 28 5.504 5.758 -0.648 1.00 0.00 N ATOM 353 CA PHE A 28 5.015 4.989 -1.781 1.00 0.00 C ATOM 354 C PHE A 28 5.247 5.761 -3.071 1.00 0.00 C ATOM 355 O PHE A 28 5.844 5.233 -4.004 1.00 0.00 O ATOM 356 CB PHE A 28 3.526 4.649 -1.587 1.00 0.00 C ATOM 357 CG PHE A 28 2.892 4.013 -2.805 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.315 4.822 -3.806 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.936 2.617 -2.968 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.834 4.240 -4.990 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.446 2.040 -4.152 1.00 0.00 C ATOM 362 CZ PHE A 28 1.908 2.850 -5.169 1.00 0.00 C ATOM 0 H PHE A 28 4.779 5.960 0.040 1.00 0.00 H new ATOM 0 HA PHE A 28 5.565 4.050 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.423 3.973 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.982 5.560 -1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.243 5.890 -3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.344 1.992 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.407 4.862 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.483 0.968 -4.282 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.553 2.403 -6.086 1.00 0.00 H new ATOM 372 N TYR A 29 4.794 7.009 -3.136 1.00 0.00 N ATOM 373 CA TYR A 29 4.958 7.834 -4.318 1.00 0.00 C ATOM 374 C TYR A 29 6.412 8.061 -4.653 1.00 0.00 C ATOM 375 O TYR A 29 6.759 8.033 -5.826 1.00 0.00 O ATOM 376 CB TYR A 29 4.290 9.187 -4.125 1.00 0.00 C ATOM 377 CG TYR A 29 2.818 9.171 -4.423 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.344 8.482 -5.553 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.948 9.942 -3.640 1.00 0.00 C ATOM 380 CE1 TYR A 29 1.003 8.569 -5.915 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.610 10.107 -4.056 1.00 0.00 C ATOM 382 CZ TYR A 29 0.133 9.409 -5.190 1.00 0.00 C ATOM 383 OH TYR A 29 -1.143 9.587 -5.614 1.00 0.00 O ATOM 0 H TYR A 29 4.305 7.472 -2.370 1.00 0.00 H new ATOM 0 HA TYR A 29 4.488 7.295 -5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.442 9.516 -3.097 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.776 9.920 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.023 7.883 -6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.298 10.404 -2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.629 7.994 -6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.049 10.765 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.754 9.093 -5.029 1.00 0.00 H new ATOM 393 N LYS A 30 7.264 8.253 -3.647 1.00 0.00 N ATOM 394 CA LYS A 30 8.707 8.270 -3.849 1.00 0.00 C ATOM 395 C LYS A 30 9.107 7.099 -4.751 1.00 0.00 C ATOM 396 O LYS A 30 9.752 7.328 -5.767 1.00 0.00 O ATOM 397 CB LYS A 30 9.435 8.224 -2.498 1.00 0.00 C ATOM 398 CG LYS A 30 10.577 9.238 -2.400 1.00 0.00 C ATOM 399 CD LYS A 30 11.411 8.999 -1.132 1.00 0.00 C ATOM 400 CE LYS A 30 12.762 9.720 -1.215 1.00 0.00 C ATOM 401 NZ LYS A 30 13.727 9.171 -0.241 1.00 0.00 N ATOM 0 H LYS A 30 6.975 8.399 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 30 9.000 9.197 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.719 8.413 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.832 7.221 -2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.215 9.160 -3.280 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.171 10.250 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.861 9.351 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.574 7.930 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.166 9.624 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.620 10.784 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.630 9.680 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.351 9.285 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.880 8.161 -0.436 1.00 0.00 H new ATOM 415 N MET A 31 8.706 5.869 -4.423 1.00 0.00 N ATOM 416 CA MET A 31 8.968 4.707 -5.267 1.00 0.00 C ATOM 417 C MET A 31 8.262 4.832 -6.611 1.00 0.00 C ATOM 418 O MET A 31 8.901 4.600 -7.623 1.00 0.00 O ATOM 419 CB MET A 31 8.496 3.417 -4.605 1.00 0.00 C ATOM 420 CG MET A 31 9.015 3.219 -3.198 1.00 0.00 C ATOM 421 SD MET A 31 10.730 2.692 -3.041 1.00 0.00 S ATOM 422 CE MET A 31 10.379 1.372 -1.868 1.00 0.00 C ATOM 0 H MET A 31 8.193 5.653 -3.568 1.00 0.00 H new ATOM 0 HA MET A 31 10.047 4.671 -5.414 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.406 3.410 -4.583 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.808 2.571 -5.218 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.895 4.157 -2.655 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.384 2.481 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.315 0.927 -1.531 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.842 1.780 -1.012 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.767 0.610 -2.351 1.00 0.00 H new ATOM 432 N LEU A 32 6.973 5.185 -6.644 1.00 0.00 N ATOM 433 CA LEU A 32 6.189 5.268 -7.876 1.00 0.00 C ATOM 434 C LEU A 32 6.872 6.165 -8.920 1.00 0.00 C ATOM 435 O LEU A 32 6.815 5.872 -10.110 1.00 0.00 O ATOM 436 CB LEU A 32 4.755 5.749 -7.556 1.00 0.00 C ATOM 437 CG LEU A 32 3.767 5.483 -8.704 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.338 4.014 -8.698 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.510 6.347 -8.548 1.00 0.00 C ATOM 0 H LEU A 32 6.441 5.423 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 32 6.126 4.272 -8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.401 5.248 -6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.775 6.817 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 32 4.269 5.728 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.638 3.836 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.214 3.379 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.855 3.780 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.824 6.143 -9.370 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.022 6.112 -7.602 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.789 7.401 -8.561 1.00 0.00 H new ATOM 451 N GLN A 33 7.537 7.232 -8.472 1.00 0.00 N ATOM 452 CA GLN A 33 8.346 8.100 -9.310 1.00 0.00 C ATOM 453 C GLN A 33 9.712 7.434 -9.577 1.00 0.00 C ATOM 454 O GLN A 33 10.085 7.271 -10.739 1.00 0.00 O ATOM 455 CB GLN A 33 8.497 9.482 -8.642 1.00 0.00 C ATOM 456 CG GLN A 33 7.182 10.172 -8.215 1.00 0.00 C ATOM 457 CD GLN A 33 6.349 10.796 -9.331 1.00 0.00 C ATOM 458 OE1 GLN A 33 5.918 10.153 -10.280 1.00 0.00 O ATOM 459 NE2 GLN A 33 6.011 12.067 -9.194 1.00 0.00 N ATOM 0 H GLN A 33 7.523 7.517 -7.493 1.00 0.00 H new ATOM 0 HA GLN A 33 7.856 8.253 -10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.129 9.371 -7.761 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.024 10.142 -9.331 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.564 9.439 -7.697 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.424 10.952 -7.493 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.367 12.607 -8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.394 12.507 -9.877 1.00 0.00 H new ATOM 468 N HIS A 34 10.469 7.079 -8.527 1.00 0.00 N ATOM 469 CA HIS A 34 11.851 6.600 -8.608 1.00 0.00 C ATOM 470 C HIS A 34 11.962 5.147 -9.078 1.00 0.00 C ATOM 471 O HIS A 34 12.512 4.907 -10.151 1.00 0.00 O ATOM 472 CB HIS A 34 12.579 6.731 -7.257 1.00 0.00 C ATOM 473 CG HIS A 34 12.979 8.137 -6.888 1.00 0.00 C ATOM 474 ND1 HIS A 34 14.090 8.793 -7.368 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.414 8.931 -5.927 1.00 0.00 C ATOM 476 CE1 HIS A 34 14.200 9.955 -6.711 1.00 0.00 C ATOM 477 NE2 HIS A 34 13.214 10.075 -5.800 1.00 0.00 N ATOM 0 H HIS A 34 10.121 7.120 -7.569 1.00 0.00 H new ATOM 0 HA HIS A 34 12.325 7.239 -9.353 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.934 6.334 -6.473 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.473 6.108 -7.280 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.515 8.715 -5.368 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.970 10.692 -6.886 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.077 10.846 -5.147 1.00 0.00 H new ATOM 485 N GLU A 35 11.553 4.179 -8.253 1.00 0.00 N ATOM 486 CA GLU A 35 11.793 2.756 -8.454 1.00 0.00 C ATOM 487 C GLU A 35 10.423 2.058 -8.401 1.00 0.00 C ATOM 488 O GLU A 35 10.099 1.369 -7.427 1.00 0.00 O ATOM 489 CB GLU A 35 12.874 2.254 -7.463 1.00 0.00 C ATOM 490 CG GLU A 35 12.582 2.452 -5.963 1.00 0.00 C ATOM 491 CD GLU A 35 13.835 2.378 -5.076 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.400 1.271 -4.908 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.188 3.402 -4.441 1.00 0.00 O ATOM 0 H GLU A 35 11.029 4.376 -7.400 1.00 0.00 H new ATOM 0 HA GLU A 35 12.222 2.517 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 35 13.032 1.190 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.811 2.759 -7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.103 3.420 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.871 1.693 -5.637 1.00 0.00 H new ATOM 500 N PRO A 36 9.575 2.238 -9.436 1.00 0.00 N ATOM 501 CA PRO A 36 8.184 1.799 -9.411 1.00 0.00 C ATOM 502 C PRO A 36 8.048 0.281 -9.344 1.00 0.00 C ATOM 503 O PRO A 36 6.981 -0.217 -8.982 1.00 0.00 O ATOM 504 CB PRO A 36 7.532 2.364 -10.676 1.00 0.00 C ATOM 505 CG PRO A 36 8.704 2.594 -11.625 1.00 0.00 C ATOM 506 CD PRO A 36 9.835 2.966 -10.669 1.00 0.00 C ATOM 0 HA PRO A 36 7.690 2.165 -8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.808 1.666 -11.098 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.998 3.291 -10.469 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.939 1.701 -12.204 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.498 3.391 -12.339 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.804 2.693 -11.086 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.857 4.041 -10.490 1.00 0.00 H new ATOM 514 N ASP A 37 9.116 -0.479 -9.605 1.00 0.00 N ATOM 515 CA ASP A 37 9.124 -1.923 -9.383 1.00 0.00 C ATOM 516 C ASP A 37 8.836 -2.251 -7.902 1.00 0.00 C ATOM 517 O ASP A 37 8.311 -3.331 -7.620 1.00 0.00 O ATOM 518 CB ASP A 37 10.406 -2.606 -9.874 1.00 0.00 C ATOM 519 CG ASP A 37 10.320 -3.100 -11.320 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.324 -2.235 -12.219 1.00 0.00 O ATOM 521 OD2 ASP A 37 10.248 -4.334 -11.546 1.00 0.00 O ATOM 0 H ASP A 37 9.993 -0.111 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 37 8.319 -2.336 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.237 -1.906 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.630 -3.451 -9.223 1.00 0.00 H new ATOM 526 N ARG A 38 9.042 -1.308 -6.963 1.00 0.00 N ATOM 527 CA ARG A 38 8.769 -1.469 -5.531 1.00 0.00 C ATOM 528 C ARG A 38 7.454 -0.826 -5.074 1.00 0.00 C ATOM 529 O ARG A 38 7.244 -0.681 -3.868 1.00 0.00 O ATOM 530 CB ARG A 38 9.960 -0.953 -4.702 1.00 0.00 C ATOM 531 CG ARG A 38 11.210 -1.784 -5.032 1.00 0.00 C ATOM 532 CD ARG A 38 12.486 -1.385 -4.305 1.00 0.00 C ATOM 533 NE ARG A 38 12.386 -1.433 -2.832 1.00 0.00 N ATOM 534 CZ ARG A 38 13.219 -0.792 -1.994 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.070 0.131 -2.431 1.00 0.00 N ATOM 536 NH2 ARG A 38 13.203 -1.077 -0.699 1.00 0.00 N ATOM 0 H ARG A 38 9.415 -0.387 -7.192 1.00 0.00 H new ATOM 0 HA ARG A 38 8.643 -2.538 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.141 0.099 -4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.734 -1.023 -3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.998 -2.829 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.391 -1.721 -6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.294 -2.044 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.761 -0.374 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 38 11.635 -1.989 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.101 0.367 -3.423 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.692 0.603 -1.775 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.559 -1.782 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.835 -0.591 -0.062 1.00 0.00 H new ATOM 550 N ALA A 39 6.560 -0.452 -5.988 1.00 0.00 N ATOM 551 CA ALA A 39 5.298 0.206 -5.681 1.00 0.00 C ATOM 552 C ALA A 39 4.166 -0.556 -6.370 1.00 0.00 C ATOM 553 O ALA A 39 4.077 -0.573 -7.597 1.00 0.00 O ATOM 554 CB ALA A 39 5.402 1.661 -6.145 1.00 0.00 C ATOM 0 H ALA A 39 6.700 -0.604 -6.987 1.00 0.00 H new ATOM 0 HA ALA A 39 5.083 0.206 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.469 2.180 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.221 2.153 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.590 1.688 -7.218 1.00 0.00 H new ATOM 560 N PHE A 40 3.324 -1.243 -5.599 1.00 0.00 N ATOM 561 CA PHE A 40 2.217 -2.058 -6.100 1.00 0.00 C ATOM 562 C PHE A 40 0.910 -1.339 -5.791 1.00 0.00 C ATOM 563 O PHE A 40 0.722 -0.926 -4.648 1.00 0.00 O ATOM 564 CB PHE A 40 2.242 -3.428 -5.409 1.00 0.00 C ATOM 565 CG PHE A 40 2.899 -4.504 -6.243 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.022 -4.224 -7.035 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.364 -5.800 -6.248 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.568 -5.230 -7.841 1.00 0.00 C ATOM 569 CE2 PHE A 40 2.914 -6.813 -7.046 1.00 0.00 C ATOM 570 CZ PHE A 40 4.022 -6.523 -7.846 1.00 0.00 C ATOM 0 H PHE A 40 3.395 -1.248 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 40 2.309 -2.205 -7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.771 -3.339 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.220 -3.730 -5.178 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.463 -3.238 -7.023 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.511 -6.022 -5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.420 -5.008 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.487 -7.805 -7.042 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.457 -7.292 -8.467 1.00 0.00 H new ATOM 580 N TYR A 41 0.001 -1.177 -6.753 1.00 0.00 N ATOM 581 CA TYR A 41 -1.320 -0.631 -6.482 1.00 0.00 C ATOM 582 C TYR A 41 -2.447 -1.316 -7.250 1.00 0.00 C ATOM 583 O TYR A 41 -2.249 -1.881 -8.325 1.00 0.00 O ATOM 584 CB TYR A 41 -1.314 0.874 -6.715 1.00 0.00 C ATOM 585 CG TYR A 41 -1.438 1.267 -8.170 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.319 1.270 -9.023 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.706 1.588 -8.676 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.473 1.609 -10.380 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.863 1.973 -10.012 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.747 1.978 -10.874 1.00 0.00 C ATOM 591 OH TYR A 41 -1.917 2.373 -12.162 1.00 0.00 O ATOM 0 H TYR A 41 0.161 -1.419 -7.731 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.536 -0.835 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.136 1.322 -6.156 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.390 1.291 -6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.656 1.013 -8.637 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.569 1.538 -8.029 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.379 1.588 -11.043 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.835 2.265 -10.381 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.861 2.586 -12.317 1.00 0.00 H new ATOM 601 N GLY A 42 -3.658 -1.208 -6.705 1.00 0.00 N ATOM 602 CA GLY A 42 -4.835 -1.927 -7.160 1.00 0.00 C ATOM 603 C GLY A 42 -4.724 -3.407 -6.814 1.00 0.00 C ATOM 604 O GLY A 42 -3.651 -4.007 -6.897 1.00 0.00 O ATOM 0 H GLY A 42 -3.847 -0.597 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.727 -1.505 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.948 -1.807 -8.237 1.00 0.00 H new ATOM 608 N LEU A 43 -5.846 -3.992 -6.390 1.00 0.00 N ATOM 609 CA LEU A 43 -5.895 -5.268 -5.677 1.00 0.00 C ATOM 610 C LEU A 43 -5.041 -6.349 -6.351 1.00 0.00 C ATOM 611 O LEU A 43 -4.211 -6.955 -5.688 1.00 0.00 O ATOM 612 CB LEU A 43 -7.365 -5.692 -5.514 1.00 0.00 C ATOM 613 CG LEU A 43 -7.546 -7.039 -4.786 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.265 -6.946 -3.283 1.00 0.00 C ATOM 615 CD2 LEU A 43 -8.982 -7.520 -4.952 1.00 0.00 C ATOM 0 H LEU A 43 -6.768 -3.581 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.455 -5.138 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.898 -4.917 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.826 -5.757 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.830 -7.729 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.409 -7.924 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.238 -6.618 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.949 -6.229 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.109 -8.472 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.664 -6.784 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.202 -7.649 -6.012 1.00 0.00 H new ATOM 627 N LYS A 44 -5.196 -6.546 -7.661 1.00 0.00 N ATOM 628 CA LYS A 44 -4.522 -7.569 -8.457 1.00 0.00 C ATOM 629 C LYS A 44 -2.997 -7.446 -8.405 1.00 0.00 C ATOM 630 O LYS A 44 -2.295 -8.452 -8.534 1.00 0.00 O ATOM 631 CB LYS A 44 -5.099 -7.463 -9.884 1.00 0.00 C ATOM 632 CG LYS A 44 -4.128 -7.752 -11.035 1.00 0.00 C ATOM 633 CD LYS A 44 -4.687 -7.292 -12.394 1.00 0.00 C ATOM 634 CE LYS A 44 -4.719 -5.757 -12.518 1.00 0.00 C ATOM 635 NZ LYS A 44 -5.431 -5.307 -13.731 1.00 0.00 N ATOM 0 H LYS A 44 -5.824 -5.969 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.710 -8.563 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.939 -8.152 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.498 -6.457 -10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.180 -7.248 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.919 -8.821 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.077 -7.707 -13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.695 -7.687 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.203 -5.334 -11.638 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.698 -5.375 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.426 -4.268 -13.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.956 -5.688 -14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.413 -5.648 -13.704 1.00 0.00 H new ATOM 649 N GLN A 45 -2.451 -6.231 -8.291 1.00 0.00 N ATOM 650 CA GLN A 45 -1.024 -6.100 -8.063 1.00 0.00 C ATOM 651 C GLN A 45 -0.765 -6.560 -6.637 1.00 0.00 C ATOM 652 O GLN A 45 -0.058 -7.536 -6.429 1.00 0.00 O ATOM 653 CB GLN A 45 -0.505 -4.678 -8.303 1.00 0.00 C ATOM 654 CG GLN A 45 -0.696 -4.215 -9.755 1.00 0.00 C ATOM 655 CD GLN A 45 0.097 -2.943 -10.073 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.706 -2.327 -9.202 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.127 -2.534 -11.327 1.00 0.00 N ATOM 0 H GLN A 45 -2.965 -5.352 -8.352 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.479 -6.714 -8.780 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.022 -3.989 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.554 -4.634 -8.048 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.386 -5.012 -10.431 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.755 -4.035 -9.940 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.381 -3.051 -12.044 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.659 -1.701 -11.579 1.00 0.00 H new ATOM 666 N VAL A 46 -1.320 -5.863 -5.647 1.00 0.00 N ATOM 667 CA VAL A 46 -1.011 -6.050 -4.233 1.00 0.00 C ATOM 668 C VAL A 46 -1.107 -7.526 -3.806 1.00 0.00 C ATOM 669 O VAL A 46 -0.220 -8.004 -3.098 1.00 0.00 O ATOM 670 CB VAL A 46 -1.911 -5.140 -3.380 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.349 -5.111 -1.962 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.983 -3.688 -3.880 1.00 0.00 C ATOM 0 H VAL A 46 -2.015 -5.134 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 46 0.027 -5.761 -4.068 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.918 -5.553 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.972 -4.471 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.342 -6.121 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.332 -4.720 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.637 -3.110 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.984 -3.251 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.379 -3.672 -4.895 1.00 0.00 H new ATOM 682 N GLU A 47 -2.120 -8.250 -4.285 1.00 0.00 N ATOM 683 CA GLU A 47 -2.309 -9.688 -4.108 1.00 0.00 C ATOM 684 C GLU A 47 -1.000 -10.449 -4.342 1.00 0.00 C ATOM 685 O GLU A 47 -0.571 -11.246 -3.507 1.00 0.00 O ATOM 686 CB GLU A 47 -3.412 -10.159 -5.084 1.00 0.00 C ATOM 687 CG GLU A 47 -4.817 -9.923 -4.495 1.00 0.00 C ATOM 688 CD GLU A 47 -5.960 -10.291 -5.453 1.00 0.00 C ATOM 689 OE1 GLU A 47 -5.770 -10.316 -6.688 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.111 -10.506 -4.997 1.00 0.00 O ATOM 0 H GLU A 47 -2.868 -7.826 -4.834 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.615 -9.895 -3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.317 -9.625 -6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.280 -11.219 -5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.920 -10.506 -3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.912 -8.874 -4.216 1.00 0.00 H new ATOM 697 N LYS A 48 -0.340 -10.158 -5.460 1.00 0.00 N ATOM 698 CA LYS A 48 0.852 -10.850 -5.921 1.00 0.00 C ATOM 699 C LYS A 48 2.031 -10.489 -5.038 1.00 0.00 C ATOM 700 O LYS A 48 2.844 -11.348 -4.717 1.00 0.00 O ATOM 701 CB LYS A 48 1.081 -10.462 -7.390 1.00 0.00 C ATOM 702 CG LYS A 48 2.501 -10.670 -7.908 1.00 0.00 C ATOM 703 CD LYS A 48 2.916 -12.142 -7.917 1.00 0.00 C ATOM 704 CE LYS A 48 4.243 -12.282 -8.657 1.00 0.00 C ATOM 705 NZ LYS A 48 4.028 -12.535 -10.103 1.00 0.00 N ATOM 0 H LYS A 48 -0.633 -9.409 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 48 0.733 -11.932 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.397 -11.040 -8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.816 -9.412 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.577 -10.269 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.196 -10.104 -7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.014 -12.511 -6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.149 -12.746 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.832 -11.374 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.819 -13.100 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.948 -12.626 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.487 -13.415 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.499 -11.742 -10.519 1.00 0.00 H new ATOM 719 N ALA A 49 2.171 -9.220 -4.666 1.00 0.00 N ATOM 720 CA ALA A 49 3.304 -8.834 -3.843 1.00 0.00 C ATOM 721 C ALA A 49 3.194 -9.468 -2.460 1.00 0.00 C ATOM 722 O ALA A 49 4.217 -9.707 -1.815 1.00 0.00 O ATOM 723 CB ALA A 49 3.351 -7.326 -3.649 1.00 0.00 C ATOM 0 H ALA A 49 1.533 -8.464 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 49 4.204 -9.174 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.209 -7.065 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.442 -6.837 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.436 -6.993 -3.160 1.00 0.00 H new ATOM 729 N ASN A 50 1.972 -9.717 -1.980 1.00 0.00 N ATOM 730 CA ASN A 50 1.808 -10.400 -0.714 1.00 0.00 C ATOM 731 C ASN A 50 2.246 -11.859 -0.838 1.00 0.00 C ATOM 732 O ASN A 50 2.932 -12.364 0.042 1.00 0.00 O ATOM 733 CB ASN A 50 0.381 -10.269 -0.182 1.00 0.00 C ATOM 734 CG ASN A 50 0.406 -10.608 1.300 1.00 0.00 C ATOM 735 OD1 ASN A 50 1.207 -10.038 2.030 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.399 -11.534 1.784 1.00 0.00 N ATOM 0 H ASN A 50 1.103 -9.458 -2.446 1.00 0.00 H new ATOM 0 HA ASN A 50 2.454 -9.919 0.021 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.007 -9.257 -0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.290 -10.942 -0.717 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.357 -11.780 2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.063 -12.004 1.169 1.00 0.00 H new ATOM 743 N GLU A 51 1.976 -12.507 -1.974 1.00 0.00 N ATOM 744 CA GLU A 51 2.520 -13.827 -2.329 1.00 0.00 C ATOM 745 C GLU A 51 4.046 -13.849 -2.522 1.00 0.00 C ATOM 746 O GLU A 51 4.648 -14.909 -2.694 1.00 0.00 O ATOM 747 CB GLU A 51 1.837 -14.324 -3.612 1.00 0.00 C ATOM 748 CG GLU A 51 0.371 -14.653 -3.321 1.00 0.00 C ATOM 749 CD GLU A 51 -0.248 -15.554 -4.392 1.00 0.00 C ATOM 750 OE1 GLU A 51 -0.455 -15.091 -5.541 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.546 -16.733 -4.085 1.00 0.00 O ATOM 0 H GLU A 51 1.360 -12.123 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 51 2.312 -14.484 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.902 -13.562 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.350 -15.208 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.297 -15.143 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.200 -13.727 -3.254 1.00 0.00 H new ATOM 758 N ALA A 52 4.678 -12.680 -2.499 1.00 0.00 N ATOM 759 CA ALA A 52 6.127 -12.494 -2.509 1.00 0.00 C ATOM 760 C ALA A 52 6.683 -12.123 -1.127 1.00 0.00 C ATOM 761 O ALA A 52 7.885 -11.885 -0.994 1.00 0.00 O ATOM 762 CB ALA A 52 6.486 -11.437 -3.557 1.00 0.00 C ATOM 0 H ALA A 52 4.172 -11.795 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 52 6.593 -13.444 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.566 -11.291 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.151 -11.770 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.996 -10.496 -3.307 1.00 0.00 H new ATOM 768 N MET A 53 5.827 -12.016 -0.103 1.00 0.00 N ATOM 769 CA MET A 53 6.107 -11.467 1.230 1.00 0.00 C ATOM 770 C MET A 53 6.656 -10.032 1.178 1.00 0.00 C ATOM 771 O MET A 53 7.107 -9.489 2.187 1.00 0.00 O ATOM 772 CB MET A 53 7.054 -12.388 2.028 1.00 0.00 C ATOM 773 CG MET A 53 6.628 -13.858 2.073 1.00 0.00 C ATOM 774 SD MET A 53 5.354 -14.197 3.295 1.00 0.00 S ATOM 775 CE MET A 53 4.286 -15.288 2.316 1.00 0.00 C ATOM 0 H MET A 53 4.860 -12.330 -0.188 1.00 0.00 H new ATOM 0 HA MET A 53 5.150 -11.421 1.751 1.00 0.00 H new ATOM 0 HB2 MET A 53 8.051 -12.326 1.593 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.128 -12.014 3.049 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.264 -14.153 1.089 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.501 -14.475 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.434 -15.601 2.920 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.930 -14.754 1.435 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.851 -16.166 2.004 1.00 0.00 H new ATOM 785 N ALA A 54 6.658 -9.401 0.003 1.00 0.00 N ATOM 786 CA ALA A 54 7.456 -8.219 -0.272 1.00 0.00 C ATOM 787 C ALA A 54 6.876 -6.970 0.383 1.00 0.00 C ATOM 788 O ALA A 54 7.590 -5.978 0.487 1.00 0.00 O ATOM 789 CB ALA A 54 7.523 -8.027 -1.791 1.00 0.00 C ATOM 0 H ALA A 54 6.095 -9.706 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 54 8.452 -8.366 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.119 -7.143 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.983 -8.903 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.515 -7.898 -2.186 1.00 0.00 H new ATOM 795 N ILE A 55 5.603 -6.983 0.771 1.00 0.00 N ATOM 796 CA ILE A 55 4.907 -5.822 1.297 1.00 0.00 C ATOM 797 C ILE A 55 5.481 -5.488 2.668 1.00 0.00 C ATOM 798 O ILE A 55 5.357 -6.271 3.606 1.00 0.00 O ATOM 799 CB ILE A 55 3.383 -6.065 1.301 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.938 -6.093 -0.175 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.649 -4.974 2.104 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.469 -6.420 -0.393 1.00 0.00 C ATOM 0 H ILE A 55 5.020 -7.819 0.726 1.00 0.00 H new ATOM 0 HA ILE A 55 5.062 -4.952 0.659 1.00 0.00 H new ATOM 0 HB ILE A 55 3.135 -7.008 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.150 -5.122 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.542 -6.827 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.577 -5.171 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.005 -4.979 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.845 -3.999 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.250 -6.417 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.251 -7.405 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.852 -5.673 0.106 1.00 0.00 H new ATOM 814 N ASP A 56 6.102 -4.318 2.768 1.00 0.00 N ATOM 815 CA ASP A 56 6.441 -3.713 4.054 1.00 0.00 C ATOM 816 C ASP A 56 5.191 -3.049 4.614 1.00 0.00 C ATOM 817 O ASP A 56 4.752 -3.368 5.712 1.00 0.00 O ATOM 818 CB ASP A 56 7.557 -2.673 3.917 1.00 0.00 C ATOM 819 CG ASP A 56 7.737 -1.919 5.237 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.468 -2.415 6.117 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.099 -0.850 5.422 1.00 0.00 O ATOM 0 H ASP A 56 6.385 -3.761 1.961 1.00 0.00 H new ATOM 0 HA ASP A 56 6.802 -4.493 4.724 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.490 -3.163 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.315 -1.972 3.118 1.00 0.00 H new ATOM 826 N THR A 57 4.584 -2.143 3.849 1.00 0.00 N ATOM 827 CA THR A 57 3.438 -1.363 4.280 1.00 0.00 C ATOM 828 C THR A 57 2.387 -1.404 3.183 1.00 0.00 C ATOM 829 O THR A 57 2.703 -1.225 2.010 1.00 0.00 O ATOM 830 CB THR A 57 3.892 0.068 4.621 1.00 0.00 C ATOM 831 OG1 THR A 57 4.701 0.053 5.774 1.00 0.00 O ATOM 832 CG2 THR A 57 2.722 0.985 4.979 1.00 0.00 C ATOM 0 H THR A 57 4.884 -1.931 2.897 1.00 0.00 H new ATOM 0 HA THR A 57 2.992 -1.777 5.184 1.00 0.00 H new ATOM 0 HB THR A 57 4.411 0.431 3.734 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.645 0.042 5.511 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.098 1.981 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.034 1.044 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.198 0.584 5.847 1.00 0.00 H new ATOM 840 N LEU A 58 1.136 -1.614 3.579 1.00 0.00 N ATOM 841 CA LEU A 58 -0.056 -1.596 2.751 1.00 0.00 C ATOM 842 C LEU A 58 -0.843 -0.356 3.151 1.00 0.00 C ATOM 843 O LEU A 58 -1.050 -0.099 4.338 1.00 0.00 O ATOM 844 CB LEU A 58 -0.862 -2.869 3.040 1.00 0.00 C ATOM 845 CG LEU A 58 -2.301 -2.876 2.484 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.358 -3.439 1.066 1.00 0.00 C ATOM 847 CD2 LEU A 58 -3.178 -3.726 3.395 1.00 0.00 C ATOM 0 H LEU A 58 0.918 -1.815 4.555 1.00 0.00 H new ATOM 0 HA LEU A 58 0.175 -1.567 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.325 -3.722 2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.906 -3.015 4.119 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.658 -1.847 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.388 -3.427 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.740 -2.829 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.986 -4.464 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.198 -3.738 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.790 -4.744 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.174 -3.305 4.400 1.00 0.00 H new ATOM 859 N LEU A 59 -1.289 0.388 2.147 1.00 0.00 N ATOM 860 CA LEU A 59 -2.144 1.557 2.251 1.00 0.00 C ATOM 861 C LEU A 59 -3.511 1.163 1.704 1.00 0.00 C ATOM 862 O LEU A 59 -3.574 0.622 0.599 1.00 0.00 O ATOM 863 CB LEU A 59 -1.579 2.783 1.496 1.00 0.00 C ATOM 864 CG LEU A 59 -0.164 2.742 0.901 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.120 4.040 0.130 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.963 2.557 1.919 1.00 0.00 C ATOM 0 H LEU A 59 -1.047 0.175 1.179 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.209 1.865 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.266 3.004 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.616 3.630 2.182 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.164 1.863 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.126 4.002 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.605 4.150 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.041 4.890 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.922 2.541 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.949 3.382 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.822 1.616 2.451 1.00 0.00 H new ATOM 878 N ILE A 60 -4.598 1.418 2.434 1.00 0.00 N ATOM 879 CA ILE A 60 -5.936 1.171 1.915 1.00 0.00 C ATOM 880 C ILE A 60 -6.886 2.257 2.412 1.00 0.00 C ATOM 881 O ILE A 60 -6.856 2.613 3.591 1.00 0.00 O ATOM 882 CB ILE A 60 -6.381 -0.264 2.280 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.561 -0.646 1.378 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.751 -0.453 3.763 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.870 -2.137 1.418 1.00 0.00 C ATOM 0 H ILE A 60 -4.574 1.794 3.382 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.946 1.227 0.826 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.527 -0.922 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.445 -0.087 1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.339 -0.352 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.052 -1.487 3.934 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.888 -0.218 4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.576 0.212 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.713 -2.352 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.998 -2.698 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.120 -2.429 2.438 1.00 0.00 H new ATOM 897 N SER A 61 -7.737 2.767 1.524 1.00 0.00 N ATOM 898 CA SER A 61 -8.850 3.621 1.887 1.00 0.00 C ATOM 899 C SER A 61 -9.819 2.786 2.720 1.00 0.00 C ATOM 900 O SER A 61 -10.204 1.680 2.331 1.00 0.00 O ATOM 901 CB SER A 61 -9.483 4.236 0.629 1.00 0.00 C ATOM 902 OG SER A 61 -9.938 5.539 0.960 1.00 0.00 O ATOM 0 H SER A 61 -7.666 2.593 0.522 1.00 0.00 H new ATOM 0 HA SER A 61 -8.529 4.470 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.755 4.281 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.312 3.620 0.279 1.00 0.00 H new ATOM 0 HG SER A 61 -10.676 5.789 0.365 1.00 0.00 H new ATOM 908 N ASP A 62 -10.197 3.294 3.893 1.00 0.00 N ATOM 909 CA ASP A 62 -11.047 2.584 4.836 1.00 0.00 C ATOM 910 C ASP A 62 -12.374 2.213 4.186 1.00 0.00 C ATOM 911 O ASP A 62 -12.841 1.113 4.413 1.00 0.00 O ATOM 912 CB ASP A 62 -11.232 3.368 6.136 1.00 0.00 C ATOM 913 CG ASP A 62 -12.402 4.346 6.135 1.00 0.00 C ATOM 914 OD1 ASP A 62 -13.501 3.933 6.553 1.00 0.00 O ATOM 915 OD2 ASP A 62 -12.179 5.561 5.927 1.00 0.00 O ATOM 0 H ASP A 62 -9.916 4.220 4.214 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.547 1.655 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.370 2.660 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.316 3.921 6.344 1.00 0.00 H new ATOM 920 N GLU A 63 -12.916 3.028 3.284 1.00 0.00 N ATOM 921 CA GLU A 63 -14.067 2.692 2.443 1.00 0.00 C ATOM 922 C GLU A 63 -13.995 1.276 1.842 1.00 0.00 C ATOM 923 O GLU A 63 -15.001 0.575 1.809 1.00 0.00 O ATOM 924 CB GLU A 63 -14.211 3.760 1.340 1.00 0.00 C ATOM 925 CG GLU A 63 -12.942 3.877 0.492 1.00 0.00 C ATOM 926 CD GLU A 63 -12.942 5.057 -0.459 1.00 0.00 C ATOM 927 OE1 GLU A 63 -13.500 4.953 -1.573 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.318 6.088 -0.120 1.00 0.00 O ATOM 0 H GLU A 63 -12.558 3.967 3.112 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.952 2.689 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.055 3.508 0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.434 4.725 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.081 3.958 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.816 2.960 -0.083 1.00 0.00 H new ATOM 935 N LEU A 64 -12.814 0.828 1.406 1.00 0.00 N ATOM 936 CA LEU A 64 -12.592 -0.497 0.837 1.00 0.00 C ATOM 937 C LEU A 64 -12.544 -1.532 1.956 1.00 0.00 C ATOM 938 O LEU A 64 -13.148 -2.603 1.869 1.00 0.00 O ATOM 939 CB LEU A 64 -11.268 -0.514 0.059 1.00 0.00 C ATOM 940 CG LEU A 64 -11.145 0.516 -1.073 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.858 0.249 -1.848 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.334 0.485 -2.036 1.00 0.00 C ATOM 0 H LEU A 64 -11.966 1.394 1.442 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.409 -0.738 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.452 -0.351 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.130 -1.509 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.129 1.506 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.762 0.976 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.004 0.337 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.888 -0.757 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.191 1.234 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.407 -0.502 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.251 0.701 -1.488 1.00 0.00 H new ATOM 954 N PHE A 65 -11.854 -1.198 3.046 1.00 0.00 N ATOM 955 CA PHE A 65 -11.824 -1.967 4.283 1.00 0.00 C ATOM 956 C PHE A 65 -13.230 -2.222 4.865 1.00 0.00 C ATOM 957 O PHE A 65 -13.428 -3.137 5.673 1.00 0.00 O ATOM 958 CB PHE A 65 -10.962 -1.167 5.271 1.00 0.00 C ATOM 959 CG PHE A 65 -10.488 -1.895 6.496 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.804 -3.115 6.372 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.714 -1.312 7.756 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.415 -3.809 7.531 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.281 -1.985 8.911 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.644 -3.237 8.796 1.00 0.00 C ATOM 0 H PHE A 65 -11.282 -0.355 3.090 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.409 -2.956 4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.088 -0.796 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.533 -0.296 5.593 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.579 -3.517 5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.214 -0.358 7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.943 -4.777 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.436 -1.544 9.885 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.329 -3.762 9.686 1.00 0.00 H new ATOM 974 N ARG A 66 -14.241 -1.438 4.485 1.00 0.00 N ATOM 975 CA ARG A 66 -15.625 -1.569 4.930 1.00 0.00 C ATOM 976 C ARG A 66 -16.570 -1.557 3.719 1.00 0.00 C ATOM 977 O ARG A 66 -17.718 -1.135 3.849 1.00 0.00 O ATOM 978 CB ARG A 66 -15.950 -0.538 6.041 1.00 0.00 C ATOM 979 CG ARG A 66 -14.898 0.537 6.344 1.00 0.00 C ATOM 980 CD ARG A 66 -15.282 1.400 7.536 1.00 0.00 C ATOM 981 NE ARG A 66 -14.554 1.017 8.758 1.00 0.00 N ATOM 982 CZ ARG A 66 -13.775 1.804 9.506 1.00 0.00 C ATOM 983 NH1 ARG A 66 -13.482 3.050 9.155 1.00 0.00 N ATOM 984 NH2 ARG A 66 -13.277 1.319 10.634 1.00 0.00 N ATOM 0 H ARG A 66 -14.110 -0.665 3.833 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.781 -2.536 5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.877 -0.033 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.144 -1.087 6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.938 0.058 6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.766 1.171 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.078 2.446 7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.354 1.316 7.713 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.655 0.050 9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.855 3.437 8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.884 3.621 9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.491 0.362 10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.680 1.902 11.220 1.00 0.00 H new ATOM 998 N HIS A 67 -16.105 -2.048 2.563 1.00 0.00 N ATOM 999 CA HIS A 67 -16.874 -2.023 1.322 1.00 0.00 C ATOM 1000 C HIS A 67 -18.227 -2.719 1.501 1.00 0.00 C ATOM 1001 O HIS A 67 -18.369 -3.646 2.303 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.066 -2.645 0.173 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.578 -2.278 -1.192 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.724 -2.795 -1.795 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.973 -1.411 -2.049 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.791 -2.214 -3.003 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.767 -1.359 -3.169 1.00 0.00 N ATOM 0 H HIS A 67 -15.183 -2.473 2.467 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.075 -0.984 1.062 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.026 -2.329 0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.079 -3.730 0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.052 -0.872 -1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.559 -2.406 -3.738 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.607 -0.772 -3.987 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.222 -2.255 0.752 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.600 -2.703 0.847 1.00 0.00 C ATOM 1017 C GLN A 68 -20.800 -4.111 0.267 1.00 0.00 C ATOM 1018 O GLN A 68 -21.666 -4.856 0.741 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.485 -1.644 0.168 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.280 -1.456 -1.352 1.00 0.00 C ATOM 1021 CD GLN A 68 -22.263 -2.279 -2.181 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -21.903 -3.230 -2.868 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -23.536 -1.930 -2.157 1.00 0.00 N ATOM 0 H GLN A 68 -19.084 -1.536 0.042 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.888 -2.798 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.528 -1.906 0.343 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.310 -0.686 0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.392 -0.401 -1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.261 -1.739 -1.616 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -23.838 -1.140 -1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -24.218 -2.450 -2.709 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.036 -4.479 -0.762 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.057 -5.795 -1.389 1.00 0.00 C ATOM 1034 C ASP A 69 -19.171 -6.694 -0.540 1.00 0.00 C ATOM 1035 O ASP A 69 -17.970 -6.438 -0.423 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.551 -5.704 -2.833 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.501 -7.068 -3.516 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -18.444 -7.743 -3.473 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -20.507 -7.432 -4.165 1.00 0.00 O ATOM 0 H ASP A 69 -19.364 -3.845 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.068 -6.200 -1.439 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.200 -5.039 -3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.556 -5.260 -2.840 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.756 -7.697 0.119 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.066 -8.471 1.142 1.00 0.00 C ATOM 1046 C VAL A 70 -17.821 -9.120 0.570 1.00 0.00 C ATOM 1047 O VAL A 70 -16.827 -9.175 1.286 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.017 -9.502 1.785 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.323 -10.490 2.733 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.048 -8.736 2.608 1.00 0.00 C ATOM 0 H VAL A 70 -20.719 -7.991 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.745 -7.795 1.935 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.449 -10.082 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.060 -11.180 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.567 -11.051 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.848 -9.941 3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.736 -9.440 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.540 -8.157 3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.605 -8.062 1.957 1.00 0.00 H new ATOM 1060 N ALA A 71 -17.834 -9.581 -0.683 1.00 0.00 N ATOM 1061 CA ALA A 71 -16.678 -10.222 -1.294 1.00 0.00 C ATOM 1062 C ALA A 71 -15.579 -9.218 -1.645 1.00 0.00 C ATOM 1063 O ALA A 71 -14.412 -9.483 -1.361 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.135 -10.979 -2.528 1.00 0.00 C ATOM 0 H ALA A 71 -18.646 -9.518 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.243 -10.914 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.278 -11.464 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -17.867 -11.734 -2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -17.588 -10.284 -3.234 1.00 0.00 H new ATOM 1070 N THR A 72 -15.939 -8.070 -2.216 1.00 0.00 N ATOM 1071 CA THR A 72 -15.037 -6.953 -2.501 1.00 0.00 C ATOM 1072 C THR A 72 -14.353 -6.546 -1.206 1.00 0.00 C ATOM 1073 O THR A 72 -13.121 -6.539 -1.150 1.00 0.00 O ATOM 1074 CB THR A 72 -15.842 -5.788 -3.104 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.471 -6.206 -4.293 1.00 0.00 O ATOM 1076 CG2 THR A 72 -15.029 -4.539 -3.423 1.00 0.00 C ATOM 0 H THR A 72 -16.900 -7.884 -2.503 1.00 0.00 H new ATOM 0 HA THR A 72 -14.275 -7.242 -3.225 1.00 0.00 H new ATOM 0 HB THR A 72 -16.557 -5.514 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.142 -6.889 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.684 -3.776 -3.843 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.570 -4.161 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.251 -4.786 -4.145 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.135 -6.288 -0.153 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.621 -6.064 1.179 1.00 0.00 C ATOM 1086 C ARG A 73 -13.716 -7.215 1.575 1.00 0.00 C ATOM 1087 O ARG A 73 -12.584 -6.964 1.966 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.783 -5.903 2.164 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.210 -5.485 3.510 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.279 -5.276 4.571 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.623 -5.136 5.880 1.00 0.00 N ATOM 1092 CZ ARG A 73 -15.702 -5.992 6.904 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -16.310 -7.168 6.781 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.157 -5.645 8.061 1.00 0.00 N ATOM 0 H ARG A 73 -16.152 -6.231 -0.214 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.034 -5.146 1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.488 -5.154 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.333 -6.839 2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.509 -6.246 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.643 -4.562 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.866 -4.386 4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.970 -6.119 4.583 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.051 -4.303 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.729 -7.435 5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.357 -7.804 7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.691 -4.743 8.155 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.204 -6.280 8.858 1.00 0.00 H new ATOM 1108 N SER A 74 -14.202 -8.454 1.484 1.00 0.00 N ATOM 1109 CA SER A 74 -13.506 -9.621 1.998 1.00 0.00 C ATOM 1110 C SER A 74 -12.088 -9.668 1.441 1.00 0.00 C ATOM 1111 O SER A 74 -11.152 -9.827 2.208 1.00 0.00 O ATOM 1112 CB SER A 74 -14.247 -10.935 1.725 1.00 0.00 C ATOM 1113 OG SER A 74 -13.901 -11.883 2.715 1.00 0.00 O ATOM 0 H SER A 74 -15.098 -8.671 1.047 1.00 0.00 H new ATOM 0 HA SER A 74 -13.467 -9.519 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.324 -10.766 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.987 -11.314 0.736 1.00 0.00 H new ATOM 0 HG SER A 74 -14.375 -12.723 2.543 1.00 0.00 H new ATOM 1119 N ARG A 75 -11.918 -9.428 0.141 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.619 -9.427 -0.528 1.00 0.00 C ATOM 1121 C ARG A 75 -9.684 -8.461 0.180 1.00 0.00 C ATOM 1122 O ARG A 75 -8.591 -8.852 0.577 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.791 -9.009 -1.996 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.445 -10.061 -2.903 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.137 -9.329 -4.055 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.665 -10.241 -5.075 1.00 0.00 N ATOM 1127 CZ ARG A 75 -13.153 -9.923 -6.280 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.144 -8.680 -6.760 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -13.645 -10.901 -7.018 1.00 0.00 N ATOM 0 H ARG A 75 -12.695 -9.225 -0.488 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.193 -10.430 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.391 -8.100 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.811 -8.760 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.695 -10.752 -3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.166 -10.654 -2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.953 -8.725 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.429 -8.642 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.660 -11.233 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.753 -7.921 -6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.528 -8.488 -7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.644 -11.857 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.026 -10.700 -7.942 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.111 -7.208 0.346 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.335 -6.209 1.052 1.00 0.00 C ATOM 1145 C TYR A 76 -9.015 -6.632 2.479 1.00 0.00 C ATOM 1146 O TYR A 76 -7.847 -6.647 2.843 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.084 -4.879 1.039 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.310 -4.325 -0.354 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.237 -4.170 -1.254 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.611 -3.987 -0.755 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.465 -3.669 -2.547 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.838 -3.463 -2.035 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.767 -3.290 -2.933 1.00 0.00 C ATOM 1154 OH TYR A 76 -11.031 -2.838 -4.184 1.00 0.00 O ATOM 0 H TYR A 76 -11.004 -6.866 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.381 -6.097 0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.048 -5.009 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.524 -4.150 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.236 -4.437 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.439 -4.131 -0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.645 -3.575 -3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.839 -3.191 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.985 -2.627 -4.261 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.014 -6.928 3.309 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.791 -7.197 4.734 1.00 0.00 C ATOM 1166 C VAL A 77 -8.954 -8.460 4.931 1.00 0.00 C ATOM 1167 O VAL A 77 -8.199 -8.560 5.900 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.123 -7.267 5.505 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -11.985 -6.050 5.190 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.973 -8.481 5.138 1.00 0.00 C ATOM 0 H VAL A 77 -10.990 -6.988 3.020 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.224 -6.363 5.148 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.837 -7.321 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.922 -6.115 5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.454 -5.143 5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.196 -6.020 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.896 -8.468 5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.212 -8.450 4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.419 -9.393 5.359 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.075 -9.417 4.009 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.261 -10.608 3.973 1.00 0.00 C ATOM 1182 C ARG A 78 -6.837 -10.221 3.676 1.00 0.00 C ATOM 1183 O ARG A 78 -5.983 -10.447 4.515 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.788 -11.612 2.944 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.901 -12.449 3.583 1.00 0.00 C ATOM 1186 CD ARG A 78 -10.021 -13.771 2.850 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.841 -14.708 3.627 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.520 -15.971 3.912 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.530 -16.582 3.276 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.211 -16.626 4.833 1.00 0.00 N ATOM 0 H ARG A 78 -9.760 -9.373 3.255 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.304 -11.099 4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.168 -11.087 2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.980 -12.259 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.681 -12.623 4.636 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.847 -11.910 3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.468 -13.612 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.030 -14.194 2.684 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.734 -14.364 3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.002 -16.086 2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.296 -17.548 3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.981 -16.164 5.317 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.973 -17.592 5.058 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.591 -9.586 2.532 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.266 -9.144 2.128 1.00 0.00 C ATOM 1206 C LEU A 79 -4.602 -8.299 3.217 1.00 0.00 C ATOM 1207 O LEU A 79 -3.414 -8.457 3.450 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.403 -8.380 0.808 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.082 -7.807 0.272 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.034 -8.885 -0.029 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.413 -7.053 -1.014 1.00 0.00 C ATOM 0 H LEU A 79 -7.319 -9.363 1.853 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.613 -10.005 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.828 -9.047 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.111 -7.563 0.946 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.647 -7.162 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.125 -8.414 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.807 -9.437 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.424 -9.571 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.500 -6.627 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.856 -7.740 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.119 -6.252 -0.795 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.350 -7.428 3.897 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.881 -6.663 5.050 1.00 0.00 C ATOM 1225 C VAL A 80 -4.313 -7.605 6.115 1.00 0.00 C ATOM 1226 O VAL A 80 -3.192 -7.407 6.580 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.026 -5.767 5.579 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.748 -5.199 6.976 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.312 -4.622 4.595 1.00 0.00 C ATOM 0 H VAL A 80 -6.321 -7.232 3.654 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.066 -6.002 4.757 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.904 -6.407 5.664 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.588 -4.580 7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.617 -6.019 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.841 -4.595 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.120 -4.002 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.415 -4.015 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.604 -5.036 3.630 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.084 -8.609 6.527 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.654 -9.554 7.551 1.00 0.00 C ATOM 1241 C ASP A 81 -3.503 -10.427 7.051 1.00 0.00 C ATOM 1242 O ASP A 81 -2.569 -10.689 7.797 1.00 0.00 O ATOM 1243 CB ASP A 81 -5.834 -10.415 8.004 1.00 0.00 C ATOM 1244 CG ASP A 81 -5.494 -11.219 9.261 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -4.995 -10.601 10.231 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -5.828 -12.429 9.292 1.00 0.00 O ATOM 0 H ASP A 81 -6.019 -8.789 6.162 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.288 -8.987 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.696 -9.778 8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.118 -11.096 7.201 1.00 0.00 H new ATOM 1251 N SER A 82 -3.502 -10.803 5.771 1.00 0.00 N ATOM 1252 CA SER A 82 -2.436 -11.572 5.149 1.00 0.00 C ATOM 1253 C SER A 82 -1.142 -10.765 5.002 1.00 0.00 C ATOM 1254 O SER A 82 -0.072 -11.360 4.922 1.00 0.00 O ATOM 1255 CB SER A 82 -2.890 -12.059 3.776 1.00 0.00 C ATOM 1256 OG SER A 82 -4.133 -12.728 3.851 1.00 0.00 O ATOM 0 H SER A 82 -4.261 -10.574 5.129 1.00 0.00 H new ATOM 0 HA SER A 82 -2.222 -12.418 5.802 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.972 -11.211 3.096 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.139 -12.730 3.359 1.00 0.00 H new ATOM 0 HG SER A 82 -4.845 -12.077 4.021 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.214 -9.434 4.954 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.043 -8.578 5.047 1.00 0.00 C ATOM 1264 C VAL A 83 0.464 -8.622 6.489 1.00 0.00 C ATOM 1265 O VAL A 83 1.670 -8.759 6.688 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.384 -7.162 4.530 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.627 -6.090 4.963 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.444 -7.175 2.993 1.00 0.00 C ATOM 0 H VAL A 83 -2.091 -8.923 4.849 1.00 0.00 H new ATOM 0 HA VAL A 83 0.770 -8.927 4.410 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.347 -6.902 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.324 -5.122 4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.660 -6.040 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.615 -6.347 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.685 -6.176 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.522 -7.483 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.212 -7.875 2.665 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.415 -8.542 7.497 1.00 0.00 N ATOM 1279 CA LYS A 84 0.006 -8.650 8.894 1.00 0.00 C ATOM 1280 C LYS A 84 0.650 -10.007 9.166 1.00 0.00 C ATOM 1281 O LYS A 84 1.710 -10.052 9.790 1.00 0.00 O ATOM 1282 CB LYS A 84 -1.158 -8.397 9.859 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.660 -6.950 9.791 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.351 -6.552 11.099 1.00 0.00 C ATOM 1285 CE LYS A 84 -2.789 -5.090 11.014 1.00 0.00 C ATOM 1286 NZ LYS A 84 -3.078 -4.529 12.345 1.00 0.00 N ATOM 0 H LYS A 84 -1.417 -8.403 7.369 1.00 0.00 H new ATOM 0 HA LYS A 84 0.752 -7.875 9.070 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.978 -9.076 9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.840 -8.622 10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.823 -6.279 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.356 -6.840 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.215 -7.193 11.277 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.672 -6.692 11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.006 -4.503 10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.676 -5.012 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.372 -3.536 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.842 -5.074 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.224 -4.580 12.936 1.00 0.00 H new ATOM 1300 N GLU A 85 0.066 -11.089 8.655 1.00 0.00 N ATOM 1301 CA GLU A 85 0.621 -12.438 8.678 1.00 0.00 C ATOM 1302 C GLU A 85 2.046 -12.429 8.131 1.00 0.00 C ATOM 1303 O GLU A 85 2.945 -13.020 8.732 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.246 -13.370 7.826 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.584 -13.741 8.476 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.499 -15.136 9.080 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -0.902 -15.297 10.166 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -1.958 -16.100 8.428 1.00 0.00 O ATOM 0 H GLU A 85 -0.844 -11.047 8.195 1.00 0.00 H new ATOM 0 HA GLU A 85 0.635 -12.795 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.440 -12.893 6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.313 -14.283 7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.836 -13.015 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.381 -13.705 7.733 1.00 0.00 H new ATOM 1315 N ASN A 86 2.269 -11.718 7.027 1.00 0.00 N ATOM 1316 CA ASN A 86 3.551 -11.638 6.336 1.00 0.00 C ATOM 1317 C ASN A 86 4.441 -10.554 6.952 1.00 0.00 C ATOM 1318 O ASN A 86 5.324 -10.024 6.280 1.00 0.00 O ATOM 1319 CB ASN A 86 3.325 -11.433 4.828 1.00 0.00 C ATOM 1320 CG ASN A 86 2.658 -12.636 4.169 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.414 -13.676 4.774 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.389 -12.549 2.883 1.00 0.00 N ATOM 0 H ASN A 86 1.539 -11.166 6.577 1.00 0.00 H new ATOM 0 HA ASN A 86 4.084 -12.580 6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.707 -10.549 4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.282 -11.241 4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.979 -13.344 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.590 -11.687 2.377 1.00 0.00 H new ATOM 1329 N ALA A 87 4.236 -10.223 8.229 1.00 0.00 N ATOM 1330 CA ALA A 87 4.990 -9.261 9.024 1.00 0.00 C ATOM 1331 C ALA A 87 4.962 -7.829 8.467 1.00 0.00 C ATOM 1332 O ALA A 87 5.825 -7.016 8.812 1.00 0.00 O ATOM 1333 CB ALA A 87 6.415 -9.775 9.294 1.00 0.00 C ATOM 0 H ALA A 87 3.485 -10.653 8.769 1.00 0.00 H new ATOM 0 HA ALA A 87 4.478 -9.180 9.983 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.960 -9.042 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.365 -10.718 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.932 -9.930 8.347 1.00 0.00 H new ATOM 1339 N GLY A 88 3.990 -7.481 7.627 1.00 0.00 N ATOM 1340 CA GLY A 88 3.814 -6.142 7.083 1.00 0.00 C ATOM 1341 C GLY A 88 3.027 -5.224 8.019 1.00 0.00 C ATOM 1342 O GLY A 88 2.660 -5.595 9.137 1.00 0.00 O ATOM 0 H GLY A 88 3.286 -8.142 7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.792 -5.702 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.297 -6.208 6.126 1.00 0.00 H new ATOM 1346 N THR A 89 2.773 -4.012 7.541 1.00 0.00 N ATOM 1347 CA THR A 89 2.178 -2.876 8.236 1.00 0.00 C ATOM 1348 C THR A 89 0.920 -2.447 7.477 1.00 0.00 C ATOM 1349 O THR A 89 0.831 -2.624 6.260 1.00 0.00 O ATOM 1350 CB THR A 89 3.241 -1.763 8.254 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.352 -2.211 9.002 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.771 -0.409 8.808 1.00 0.00 C ATOM 0 H THR A 89 2.997 -3.778 6.574 1.00 0.00 H new ATOM 0 HA THR A 89 1.884 -3.115 9.258 1.00 0.00 H new ATOM 0 HB THR A 89 3.490 -1.574 7.210 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.038 -1.511 9.020 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.596 0.303 8.776 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.945 -0.035 8.203 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.439 -0.533 9.839 1.00 0.00 H new ATOM 1360 N VAL A 90 -0.055 -1.854 8.173 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.359 -1.532 7.608 1.00 0.00 C ATOM 1362 C VAL A 90 -1.691 -0.079 7.936 1.00 0.00 C ATOM 1363 O VAL A 90 -1.750 0.319 9.104 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.401 -2.535 8.136 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.830 -2.153 7.723 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.095 -3.948 7.616 1.00 0.00 C ATOM 0 H VAL A 90 0.044 -1.584 9.152 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.360 -1.624 6.522 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.339 -2.513 9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.532 -2.888 8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.073 -1.169 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.901 -2.131 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.840 -4.646 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.122 -3.949 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.105 -4.254 7.954 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.968 0.710 6.901 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.288 2.131 7.005 1.00 0.00 C ATOM 1378 C ARG A 91 -3.722 2.296 6.512 1.00 0.00 C ATOM 1379 O ARG A 91 -4.018 1.919 5.380 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.276 2.932 6.163 1.00 0.00 C ATOM 1381 CG ARG A 91 0.202 2.752 6.573 1.00 0.00 C ATOM 1382 CD ARG A 91 0.652 3.780 7.612 1.00 0.00 C ATOM 1383 NE ARG A 91 2.045 3.591 8.032 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.504 3.029 9.153 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.698 2.611 10.125 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.806 2.873 9.301 1.00 0.00 N ATOM 0 H ARG A 91 -1.976 0.369 5.940 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.218 2.506 8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.385 2.642 5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.529 3.990 6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.345 1.749 6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.833 2.834 5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.534 4.782 7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.002 3.716 8.485 1.00 0.00 H new ATOM 0 HE ARG A 91 2.755 3.933 7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.688 2.715 10.030 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.090 2.187 10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.443 3.180 8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.175 2.446 10.150 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.598 2.824 7.370 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.027 2.944 7.111 1.00 0.00 C ATOM 1402 C ILE A 92 -6.278 4.393 6.749 1.00 0.00 C ATOM 1403 O ILE A 92 -6.229 5.256 7.622 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.869 2.540 8.341 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.502 1.171 8.929 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.364 2.607 8.002 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.747 -0.023 8.015 1.00 0.00 C ATOM 0 H ILE A 92 -4.323 3.187 8.283 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.323 2.272 6.305 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.635 3.263 9.122 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.448 1.185 9.205 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.070 1.026 9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.949 2.320 8.876 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.625 3.624 7.708 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.582 1.925 7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.454 -0.939 8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.805 -0.073 7.758 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.157 0.088 7.105 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.559 4.680 5.492 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.695 6.043 5.031 1.00 0.00 C ATOM 1421 C PHE A 93 -8.158 6.414 5.221 1.00 0.00 C ATOM 1422 O PHE A 93 -9.034 5.724 4.700 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.300 6.090 3.551 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.819 6.189 3.248 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.848 5.450 3.958 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.419 6.996 2.175 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.490 5.564 3.615 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.066 7.106 1.832 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.099 6.389 2.551 1.00 0.00 C ATOM 0 H PHE A 93 -6.698 3.976 4.767 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.059 6.741 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.688 5.194 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.800 6.943 3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.149 4.797 4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.161 7.538 1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.746 5.015 4.172 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.767 7.744 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.055 6.472 2.286 1.00 0.00 H new ATOM 1439 N SER A 94 -8.445 7.486 5.952 1.00 0.00 N ATOM 1440 CA SER A 94 -9.785 8.037 6.019 1.00 0.00 C ATOM 1441 C SER A 94 -10.113 8.708 4.688 1.00 0.00 C ATOM 1442 O SER A 94 -9.370 9.599 4.263 1.00 0.00 O ATOM 1443 CB SER A 94 -9.895 8.998 7.200 1.00 0.00 C ATOM 1444 OG SER A 94 -9.737 8.261 8.399 1.00 0.00 O ATOM 0 H SER A 94 -7.757 7.992 6.510 1.00 0.00 H new ATOM 0 HA SER A 94 -10.516 7.246 6.185 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.132 9.773 7.129 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.862 9.501 7.190 1.00 0.00 H new ATOM 0 HG SER A 94 -9.804 8.867 9.167 1.00 0.00 H new ATOM 1450 N SER A 95 -11.209 8.271 4.064 1.00 0.00 N ATOM 1451 CA SER A 95 -11.655 8.655 2.725 1.00 0.00 C ATOM 1452 C SER A 95 -11.672 10.180 2.525 1.00 0.00 C ATOM 1453 O SER A 95 -11.204 10.671 1.504 1.00 0.00 O ATOM 1454 CB SER A 95 -13.045 8.035 2.508 1.00 0.00 C ATOM 1455 OG SER A 95 -13.439 8.049 1.153 1.00 0.00 O ATOM 0 H SER A 95 -11.843 7.604 4.504 1.00 0.00 H new ATOM 0 HA SER A 95 -10.951 8.280 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.041 7.007 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.779 8.580 3.102 1.00 0.00 H new ATOM 0 HG SER A 95 -12.813 7.511 0.625 1.00 0.00 H new ATOM 1461 N LEU A 96 -12.153 10.945 3.512 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.345 12.388 3.466 1.00 0.00 C ATOM 1463 C LEU A 96 -11.060 13.133 3.105 1.00 0.00 C ATOM 1464 O LEU A 96 -11.084 14.205 2.502 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.774 12.871 4.863 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.872 12.091 5.600 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -15.162 12.021 4.798 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -13.462 10.708 6.132 1.00 0.00 C ATOM 0 H LEU A 96 -12.432 10.547 4.409 1.00 0.00 H new ATOM 0 HA LEU A 96 -13.097 12.593 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.888 12.878 5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.107 13.905 4.769 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.053 12.684 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.909 11.460 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.530 13.030 4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.973 11.523 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.311 10.245 6.634 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.144 10.078 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -12.639 10.819 6.838 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.942 12.624 3.614 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.663 13.284 3.621 1.00 0.00 C ATOM 1482 C HIS A 97 -8.066 13.302 2.216 1.00 0.00 C ATOM 1483 O HIS A 97 -8.242 12.346 1.464 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.792 12.448 4.559 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.592 13.163 5.081 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -5.298 12.722 5.011 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.613 14.301 5.830 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.536 13.609 5.656 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -5.295 14.571 6.220 1.00 0.00 N ATOM 0 H HIS A 97 -9.913 11.702 4.048 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.738 14.322 3.946 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.399 12.118 5.402 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.466 11.552 4.031 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.486 14.887 6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.459 13.562 5.718 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.974 15.339 6.810 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.236 14.302 1.917 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.498 14.382 0.661 1.00 0.00 C ATOM 1499 C VAL A 98 -5.710 13.090 0.384 1.00 0.00 C ATOM 1500 O VAL A 98 -5.541 12.708 -0.769 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.590 15.631 0.694 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.274 15.381 1.444 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.292 16.121 -0.719 1.00 0.00 C ATOM 0 H VAL A 98 -7.057 15.084 2.547 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.199 14.483 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.140 16.400 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.673 16.290 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.490 15.096 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.723 14.578 0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.651 17.001 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.786 15.334 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.226 16.379 -1.219 1.00 0.00 H new ATOM 1513 N SER A 99 -5.221 12.398 1.418 1.00 0.00 N ATOM 1514 CA SER A 99 -4.495 11.151 1.244 1.00 0.00 C ATOM 1515 C SER A 99 -5.386 10.052 0.668 1.00 0.00 C ATOM 1516 O SER A 99 -4.892 9.243 -0.114 1.00 0.00 O ATOM 1517 CB SER A 99 -3.857 10.748 2.574 1.00 0.00 C ATOM 1518 OG SER A 99 -2.978 11.773 2.953 1.00 0.00 O ATOM 0 H SER A 99 -5.320 12.690 2.390 1.00 0.00 H new ATOM 0 HA SER A 99 -3.700 11.300 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.622 10.599 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.322 9.804 2.471 1.00 0.00 H new ATOM 0 HG SER A 99 -3.418 12.357 3.605 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.678 10.031 1.015 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.665 9.169 0.384 1.00 0.00 C ATOM 1526 C GLY A 100 -7.726 9.480 -1.105 1.00 0.00 C ATOM 1527 O GLY A 100 -7.603 8.576 -1.922 1.00 0.00 O ATOM 0 H GLY A 100 -7.065 10.622 1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.402 8.122 0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.643 9.323 0.840 1.00 0.00 H new ATOM 1531 N GLU A 101 -7.847 10.759 -1.459 1.00 0.00 N ATOM 1532 CA GLU A 101 -7.987 11.217 -2.843 1.00 0.00 C ATOM 1533 C GLU A 101 -6.739 10.896 -3.666 1.00 0.00 C ATOM 1534 O GLU A 101 -6.818 10.527 -4.837 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.236 12.725 -2.860 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.515 13.117 -2.119 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.586 13.588 -3.103 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -11.196 12.744 -3.801 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -10.827 14.814 -3.188 1.00 0.00 O ATOM 0 H GLU A 101 -7.851 11.521 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.832 10.693 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.386 13.235 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.299 13.068 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.887 12.265 -1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.298 13.910 -1.403 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.564 11.042 -3.052 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.310 10.613 -3.641 1.00 0.00 C ATOM 1548 C GLN A 102 -4.369 9.107 -3.907 1.00 0.00 C ATOM 1549 O GLN A 102 -4.075 8.681 -5.024 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.122 11.034 -2.757 1.00 0.00 C ATOM 1551 CG GLN A 102 -2.879 12.546 -2.862 1.00 0.00 C ATOM 1552 CD GLN A 102 -1.563 13.034 -2.268 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -0.556 13.145 -2.965 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -1.538 13.320 -0.974 1.00 0.00 N ATOM 0 H GLN A 102 -5.463 11.464 -2.129 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.154 11.106 -4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.320 10.763 -1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.226 10.494 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.913 12.831 -3.914 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.698 13.065 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.384 13.221 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.672 13.639 -0.539 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.817 8.304 -2.933 1.00 0.00 N ATOM 1564 CA LEU A 103 -4.960 6.870 -3.122 1.00 0.00 C ATOM 1565 C LEU A 103 -5.986 6.528 -4.196 1.00 0.00 C ATOM 1566 O LEU A 103 -5.842 5.496 -4.839 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.333 6.162 -1.805 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.704 4.767 -1.663 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.184 4.756 -1.773 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.087 4.168 -0.306 1.00 0.00 C ATOM 0 H LEU A 103 -5.085 8.633 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.987 6.509 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.017 6.782 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.418 6.071 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.094 4.180 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.819 3.735 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.887 5.144 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.758 5.381 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.641 3.179 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.722 4.813 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.172 4.085 -0.238 1.00 0.00 H new ATOM 1582 N SER A 104 -7.007 7.351 -4.416 1.00 0.00 N ATOM 1583 CA SER A 104 -8.061 7.092 -5.396 1.00 0.00 C ATOM 1584 C SER A 104 -7.518 6.956 -6.820 1.00 0.00 C ATOM 1585 O SER A 104 -8.020 6.130 -7.585 1.00 0.00 O ATOM 1586 CB SER A 104 -9.116 8.198 -5.378 1.00 0.00 C ATOM 1587 OG SER A 104 -9.710 8.351 -4.111 1.00 0.00 O ATOM 0 H SER A 104 -7.129 8.230 -3.912 1.00 0.00 H new ATOM 0 HA SER A 104 -8.512 6.143 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.656 9.140 -5.677 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.888 7.972 -6.114 1.00 0.00 H new ATOM 0 HG SER A 104 -9.014 8.515 -3.441 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.466 7.705 -7.165 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.734 7.586 -8.434 1.00 0.00 C ATOM 1595 C GLN A 105 -4.986 6.250 -8.556 1.00 0.00 C ATOM 1596 O GLN A 105 -4.382 5.950 -9.584 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.765 8.769 -8.542 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.524 10.083 -8.800 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.579 11.277 -8.787 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -4.284 11.879 -9.822 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -4.063 11.631 -7.621 1.00 0.00 N ATOM 0 H GLN A 105 -6.089 8.430 -6.555 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.450 7.606 -9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.186 8.854 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.056 8.590 -9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.033 10.029 -9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.294 10.217 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.318 11.122 -6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.410 12.413 -7.569 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.033 5.446 -7.498 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.431 4.141 -7.335 1.00 0.00 C ATOM 1612 C LEU A 106 -5.519 3.149 -6.876 1.00 0.00 C ATOM 1613 O LEU A 106 -5.229 2.120 -6.264 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.260 4.245 -6.339 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.206 5.333 -6.640 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.376 5.600 -5.390 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.276 4.920 -7.781 1.00 0.00 C ATOM 0 H LEU A 106 -5.543 5.724 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.022 3.772 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.670 4.430 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.755 3.280 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.737 6.235 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.633 6.368 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.028 5.940 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.872 4.683 -5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.549 5.712 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.754 4.002 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.862 4.751 -8.685 1.00 0.00 H new ATOM 1629 N THR A 107 -6.796 3.446 -7.151 1.00 0.00 N ATOM 1630 CA THR A 107 -8.005 2.686 -6.807 1.00 0.00 C ATOM 1631 C THR A 107 -8.342 2.682 -5.303 1.00 0.00 C ATOM 1632 O THR A 107 -9.315 2.049 -4.893 1.00 0.00 O ATOM 1633 CB THR A 107 -7.987 1.266 -7.419 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.188 0.366 -6.683 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.500 1.220 -8.870 1.00 0.00 C ATOM 0 H THR A 107 -7.029 4.296 -7.663 1.00 0.00 H new ATOM 0 HA THR A 107 -8.830 3.227 -7.270 1.00 0.00 H new ATOM 0 HB THR A 107 -9.034 0.966 -7.383 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.286 0.735 -6.584 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.516 0.190 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.154 1.830 -9.493 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.482 1.607 -8.925 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.549 3.367 -4.484 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.652 3.425 -3.039 1.00 0.00 C ATOM 1645 C GLY A 108 -7.014 2.223 -2.340 1.00 0.00 C ATOM 1646 O GLY A 108 -7.286 2.023 -1.158 1.00 0.00 O ATOM 0 H GLY A 108 -6.774 3.927 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.175 4.339 -2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.704 3.484 -2.758 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.147 1.442 -3.000 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.335 0.426 -2.331 1.00 0.00 C ATOM 1652 C VAL A 109 -3.953 0.384 -2.989 1.00 0.00 C ATOM 1653 O VAL A 109 -3.854 0.288 -4.215 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.070 -0.937 -2.316 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.235 -1.554 -3.708 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.373 -1.945 -1.392 1.00 0.00 C ATOM 0 H VAL A 109 -5.992 1.499 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.183 0.681 -1.282 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.067 -0.719 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.758 -2.507 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.812 -0.878 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.253 -1.717 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.917 -2.889 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.352 -2.109 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.354 -1.554 -0.375 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.885 0.443 -2.194 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.513 0.335 -2.665 1.00 0.00 C ATOM 1668 C ALA A 110 -0.631 -0.296 -1.588 1.00 0.00 C ATOM 1669 O ALA A 110 -1.087 -0.523 -0.472 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.007 1.720 -3.080 1.00 0.00 C ATOM 0 H ALA A 110 -2.956 0.570 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.472 -0.317 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.021 1.641 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.636 2.113 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.046 2.393 -2.224 1.00 0.00 H new ATOM 1676 N ALA A 111 0.633 -0.585 -1.888 1.00 0.00 N ATOM 1677 CA ALA A 111 1.605 -1.058 -0.919 1.00 0.00 C ATOM 1678 C ALA A 111 3.034 -0.797 -1.407 1.00 0.00 C ATOM 1679 O ALA A 111 3.298 -0.746 -2.611 1.00 0.00 O ATOM 1680 CB ALA A 111 1.419 -2.565 -0.684 1.00 0.00 C ATOM 0 H ALA A 111 1.012 -0.494 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 111 1.446 -0.516 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.152 -2.913 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.414 -2.753 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.559 -3.100 -1.623 1.00 0.00 H new ATOM 1686 N ILE A 112 3.959 -0.672 -0.458 1.00 0.00 N ATOM 1687 CA ILE A 112 5.387 -0.468 -0.666 1.00 0.00 C ATOM 1688 C ILE A 112 6.083 -1.817 -0.501 1.00 0.00 C ATOM 1689 O ILE A 112 5.705 -2.604 0.376 1.00 0.00 O ATOM 1690 CB ILE A 112 5.923 0.537 0.381 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.183 1.886 0.281 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.436 0.728 0.172 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.530 2.854 1.421 1.00 0.00 C ATOM 0 H ILE A 112 3.716 -0.713 0.532 1.00 0.00 H new ATOM 0 HA ILE A 112 5.578 -0.067 -1.661 1.00 0.00 H new ATOM 0 HB ILE A 112 5.745 0.139 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.426 2.356 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.108 1.704 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.818 1.436 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.943 -0.229 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.619 1.113 -0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.976 3.783 1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.262 2.402 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.599 3.064 1.407 1.00 0.00 H new ATOM 1705 N LEU A 113 7.139 -2.051 -1.285 1.00 0.00 N ATOM 1706 CA LEU A 113 7.810 -3.335 -1.366 1.00 0.00 C ATOM 1707 C LEU A 113 9.260 -3.247 -0.888 1.00 0.00 C ATOM 1708 O LEU A 113 10.037 -2.399 -1.335 1.00 0.00 O ATOM 1709 CB LEU A 113 7.751 -3.888 -2.792 1.00 0.00 C ATOM 1710 CG LEU A 113 6.365 -3.892 -3.462 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.491 -4.308 -4.929 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.412 -4.850 -2.760 1.00 0.00 C ATOM 0 H LEU A 113 7.552 -1.338 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 113 7.283 -4.020 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.431 -3.305 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.128 -4.911 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 113 5.963 -2.881 -3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.505 -4.307 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.139 -3.605 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.919 -5.309 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.443 -4.829 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.818 -5.861 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.292 -4.547 -1.720 1.00 0.00 H new ATOM 1724 N ARG A 114 9.646 -4.175 -0.013 1.00 0.00 N ATOM 1725 CA ARG A 114 11.004 -4.387 0.495 1.00 0.00 C ATOM 1726 C ARG A 114 12.011 -4.550 -0.632 1.00 0.00 C ATOM 1727 O ARG A 114 13.155 -4.108 -0.526 1.00 0.00 O ATOM 1728 CB ARG A 114 11.018 -5.671 1.337 1.00 0.00 C ATOM 1729 CG ARG A 114 10.217 -5.537 2.633 1.00 0.00 C ATOM 1730 CD ARG A 114 10.335 -6.814 3.468 1.00 0.00 C ATOM 1731 NE ARG A 114 10.150 -6.495 4.882 1.00 0.00 N ATOM 1732 CZ ARG A 114 10.244 -7.320 5.921 1.00 0.00 C ATOM 1733 NH1 ARG A 114 10.320 -8.638 5.775 1.00 0.00 N ATOM 1734 NH2 ARG A 114 10.286 -6.771 7.121 1.00 0.00 N ATOM 0 H ARG A 114 8.981 -4.839 0.384 1.00 0.00 H new ATOM 0 HA ARG A 114 11.283 -3.514 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.611 -6.492 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.049 -5.932 1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.581 -4.685 3.207 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.170 -5.341 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.588 -7.540 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.312 -7.273 3.313 1.00 0.00 H new ATOM 0 HE ARG A 114 9.922 -5.525 5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 114 10.307 -9.049 4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.391 -9.239 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 114 10.246 -5.757 7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.358 -7.361 7.950 1.00 0.00 H new ATOM 1748 N PHE A 115 11.589 -5.210 -1.697 1.00 0.00 N ATOM 1749 CA PHE A 115 12.366 -5.543 -2.868 1.00 0.00 C ATOM 1750 C PHE A 115 11.391 -5.559 -4.040 1.00 0.00 C ATOM 1751 O PHE A 115 10.187 -5.699 -3.811 1.00 0.00 O ATOM 1752 CB PHE A 115 13.042 -6.903 -2.646 1.00 0.00 C ATOM 1753 CG PHE A 115 12.191 -7.978 -2.000 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.226 -8.677 -2.747 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.398 -8.310 -0.650 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.506 -9.732 -2.155 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.669 -9.351 -0.054 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.727 -10.067 -0.809 1.00 0.00 C ATOM 0 H PHE A 115 10.629 -5.548 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 115 13.161 -4.825 -3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.388 -7.274 -3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.926 -6.749 -2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.037 -8.404 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 115 13.123 -7.761 -0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.783 -10.284 -2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.833 -9.601 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.172 -10.875 -0.355 1.00 0.00 H new ATOM 1768 N PRO A 116 11.863 -5.388 -5.280 1.00 0.00 N ATOM 1769 CA PRO A 116 11.003 -5.404 -6.441 1.00 0.00 C ATOM 1770 C PRO A 116 10.440 -6.813 -6.636 1.00 0.00 C ATOM 1771 O PRO A 116 11.093 -7.817 -6.325 1.00 0.00 O ATOM 1772 CB PRO A 116 11.891 -4.917 -7.580 1.00 0.00 C ATOM 1773 CG PRO A 116 13.302 -5.303 -7.172 1.00 0.00 C ATOM 1774 CD PRO A 116 13.257 -5.280 -5.654 1.00 0.00 C ATOM 0 HA PRO A 116 10.124 -4.763 -6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.612 -5.383 -8.525 1.00 0.00 H new ATOM 0 HB3 PRO A 116 11.801 -3.839 -7.718 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.572 -6.289 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.038 -4.600 -7.561 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.835 -6.104 -5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.692 -4.358 -5.267 1.00 0.00 H new ATOM 1782 N VAL A 117 9.191 -6.890 -7.087 1.00 0.00 N ATOM 1783 CA VAL A 117 8.518 -8.155 -7.347 1.00 0.00 C ATOM 1784 C VAL A 117 8.708 -8.456 -8.839 1.00 0.00 C ATOM 1785 O VAL A 117 8.337 -7.608 -9.655 1.00 0.00 O ATOM 1786 CB VAL A 117 7.040 -8.054 -6.935 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.246 -9.321 -7.280 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.878 -7.798 -5.427 1.00 0.00 C ATOM 0 H VAL A 117 8.616 -6.071 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 117 8.935 -8.975 -6.762 1.00 0.00 H new ATOM 0 HB VAL A 117 6.646 -7.211 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.209 -9.197 -6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.283 -9.492 -8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.681 -10.175 -6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.818 -7.734 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.331 -8.617 -4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.369 -6.862 -5.162 1.00 0.00 H new