USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 679 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 52 LYS NZ :NH3+ 179:sc= 0.576 (180deg=-0.425) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= -0.97 USER MOD Set 1.3: A 91 TYR OH : rot 180:sc= 0.821 USER MOD Set 2.1: A 40 THR OG1 : rot -90:sc= 1.35 USER MOD Set 2.2: A 51 TYR OH : rot 180:sc= 0.504 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 0.923 K(o=2.8,f=-4.4!) USER MOD Set 3.1: A 35 THR OG1 : rot -73:sc= 0.122 USER MOD Set 3.2: A 74 THR OG1 : rot 180:sc= 0.119 USER MOD Set 4.1: A 33 SER OG : rot -27:sc= -3.12! USER MOD Set 4.2: A 76 ASN : amide:sc= -2.46 X(o=-5.6,f=-5.7) USER MOD Set 5.1: A 30 SER OG : rot -171:sc= 0.21 USER MOD Set 5.2: A 32 THR OG1 : rot -7:sc= 0.119 USER MOD Single : A 23 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.5!) USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0545 USER MOD Single : A 49 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.8!) USER MOD Single : A 50 ASN : amide:sc= 0.289 K(o=0.29,f=-7!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.14 (180deg=-0.571) USER MOD Single : A 60 THR OG1 : rot 83:sc= 0.606 USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.0564 (180deg=-0.423) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 131:sc= 0.525 USER MOD Single : A 72 SER OG : rot 22:sc= 0.292 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 153:sc= -1.07 (180deg=-2.31!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 63:sc= 0.55 USER MOD Single : A 84 TYR OH : rot 180:sc= 0.103 USER MOD Single : A 85 SER OG : rot -160:sc= -0.786 USER MOD Single : A 92 ASN : amide:sc= -4.01! C(o=-4!,f=-4.9!) USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= -0.229 (180deg=-1.32!) USER MOD Single : A 94 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 99 SER OG : rot 180:sc= -0.289 USER MOD Single : A 100 THR OG1 : rot 72:sc= 0.724 USER MOD Single : A 107 THR OG1 : rot 176:sc= 0.642 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 15.095 1.885 -11.728 1.00 0.00 N ATOM 215 CA LEU A 17 13.712 1.746 -11.283 1.00 0.00 C ATOM 216 C LEU A 17 13.371 2.798 -10.232 1.00 0.00 C ATOM 217 O LEU A 17 14.244 3.344 -9.558 1.00 0.00 O ATOM 218 CB LEU A 17 13.476 0.346 -10.716 1.00 0.00 C ATOM 219 CG LEU A 17 12.955 -0.699 -11.704 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.521 -0.449 -13.093 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.305 -2.102 -11.229 1.00 0.00 C ATOM 0 HA LEU A 17 13.062 1.896 -12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.414 -0.017 -10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.766 0.424 -9.893 1.00 0.00 H new ATOM 0 HG LEU A 17 11.870 -0.614 -11.755 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.139 -1.202 -13.782 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.221 0.541 -13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.609 -0.507 -13.058 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.927 -2.833 -11.944 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.388 -2.199 -11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.851 -2.280 -10.254 1.00 0.00 H new ATOM 233 N PRO A 18 12.069 3.087 -10.085 1.00 0.00 N ATOM 234 CA PRO A 18 11.582 4.072 -9.115 1.00 0.00 C ATOM 235 C PRO A 18 11.739 3.595 -7.676 1.00 0.00 C ATOM 236 O PRO A 18 11.852 2.397 -7.417 1.00 0.00 O ATOM 237 CB PRO A 18 10.100 4.218 -9.472 1.00 0.00 C ATOM 238 CG PRO A 18 9.739 2.928 -10.125 1.00 0.00 C ATOM 239 CD PRO A 18 10.973 2.474 -10.854 1.00 0.00 C ATOM 0 HA PRO A 18 12.141 5.006 -9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.494 4.395 -8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.936 5.061 -10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.429 2.190 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.905 3.059 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.053 1.387 -10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.973 2.809 -11.891 1.00 0.00 H new ATOM 247 N GLY A 19 11.744 4.540 -6.741 1.00 0.00 N ATOM 248 CA GLY A 19 11.887 4.196 -5.338 1.00 0.00 C ATOM 249 C GLY A 19 10.557 4.154 -4.613 1.00 0.00 C ATOM 250 O GLY A 19 9.500 4.402 -5.194 1.00 0.00 O ATOM 0 H GLY A 19 11.652 5.538 -6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.374 3.225 -5.253 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.539 4.923 -4.853 1.00 0.00 H new ATOM 254 N PRO A 20 10.598 3.833 -3.311 1.00 0.00 N ATOM 255 CA PRO A 20 9.395 3.751 -2.477 1.00 0.00 C ATOM 256 C PRO A 20 8.773 5.120 -2.221 1.00 0.00 C ATOM 257 O PRO A 20 9.476 6.086 -1.927 1.00 0.00 O ATOM 258 CB PRO A 20 9.911 3.144 -1.170 1.00 0.00 C ATOM 259 CG PRO A 20 11.353 3.513 -1.124 1.00 0.00 C ATOM 260 CD PRO A 20 11.823 3.526 -2.553 1.00 0.00 C ATOM 0 HA PRO A 20 8.608 3.166 -2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.373 3.542 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.779 2.062 -1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.491 4.489 -0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.921 2.795 -0.533 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.595 4.278 -2.715 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.247 2.565 -2.846 1.00 0.00 H new ATOM 268 N ALA A 21 7.451 5.194 -2.333 1.00 0.00 N ATOM 269 CA ALA A 21 6.735 6.444 -2.111 1.00 0.00 C ATOM 270 C ALA A 21 6.861 6.898 -0.660 1.00 0.00 C ATOM 271 O ALA A 21 6.331 6.274 0.259 1.00 0.00 O ATOM 272 CB ALA A 21 5.270 6.288 -2.492 1.00 0.00 C ATOM 0 H ALA A 21 6.854 4.403 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 21 7.184 7.209 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.747 7.229 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.195 6.017 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.817 5.506 -1.883 1.00 0.00 H new ATOM 278 N PRO A 22 7.580 8.011 -0.448 1.00 0.00 N ATOM 279 CA PRO A 22 7.792 8.573 0.889 1.00 0.00 C ATOM 280 C PRO A 22 6.517 9.167 1.477 1.00 0.00 C ATOM 281 O PRO A 22 5.459 9.135 0.849 1.00 0.00 O ATOM 282 CB PRO A 22 8.833 9.670 0.651 1.00 0.00 C ATOM 283 CG PRO A 22 8.655 10.058 -0.776 1.00 0.00 C ATOM 284 CD PRO A 22 8.240 8.806 -1.497 1.00 0.00 C ATOM 0 HA PRO A 22 8.108 7.814 1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.672 10.519 1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.843 9.305 0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.898 10.836 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.581 10.458 -1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.562 9.024 -2.322 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.098 8.282 -1.918 1.00 0.00 H new ATOM 292 N ASN A 23 6.625 9.709 2.686 1.00 0.00 N ATOM 293 CA ASN A 23 5.479 10.310 3.359 1.00 0.00 C ATOM 294 C ASN A 23 4.250 9.413 3.248 1.00 0.00 C ATOM 295 O ASN A 23 3.143 9.887 2.988 1.00 0.00 O ATOM 296 CB ASN A 23 5.175 11.686 2.762 1.00 0.00 C ATOM 297 CG ASN A 23 6.381 12.605 2.785 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.797 13.128 1.751 1.00 0.00 O ATOM 299 ND2 ASN A 23 6.949 12.807 3.968 1.00 0.00 N ATOM 0 H ASN A 23 7.494 9.744 3.219 1.00 0.00 H new ATOM 0 HA ASN A 23 5.728 10.425 4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.833 11.566 1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.359 12.148 3.318 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.763 13.416 4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.571 12.353 4.799 1.00 0.00 H new ATOM 306 N LEU A 24 4.452 8.115 3.448 1.00 0.00 N ATOM 307 CA LEU A 24 3.361 7.150 3.371 1.00 0.00 C ATOM 308 C LEU A 24 2.552 7.139 4.665 1.00 0.00 C ATOM 309 O LEU A 24 2.958 6.531 5.656 1.00 0.00 O ATOM 310 CB LEU A 24 3.910 5.751 3.087 1.00 0.00 C ATOM 311 CG LEU A 24 2.869 4.644 2.917 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.012 4.900 1.688 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.548 3.285 2.823 1.00 0.00 C ATOM 0 H LEU A 24 5.361 7.707 3.665 1.00 0.00 H new ATOM 0 HA LEU A 24 2.703 7.447 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.514 5.796 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.578 5.472 3.902 1.00 0.00 H new ATOM 0 HG LEU A 24 2.220 4.645 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.277 4.102 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.497 5.855 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.646 4.927 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.793 2.508 2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.221 3.273 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.117 3.099 3.734 1.00 0.00 H new ATOM 325 N ARG A 25 1.407 7.812 4.646 1.00 0.00 N ATOM 326 CA ARG A 25 0.541 7.879 5.818 1.00 0.00 C ATOM 327 C ARG A 25 -0.729 7.061 5.601 1.00 0.00 C ATOM 328 O ARG A 25 -1.196 6.907 4.473 1.00 0.00 O ATOM 329 CB ARG A 25 0.178 9.332 6.128 1.00 0.00 C ATOM 330 CG ARG A 25 1.321 10.308 5.898 1.00 0.00 C ATOM 331 CD ARG A 25 2.205 10.430 7.128 1.00 0.00 C ATOM 332 NE ARG A 25 1.468 10.934 8.284 1.00 0.00 N ATOM 333 CZ ARG A 25 2.053 11.437 9.366 1.00 0.00 C ATOM 334 NH1 ARG A 25 3.375 11.502 9.440 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.314 11.875 10.377 1.00 0.00 N ATOM 0 H ARG A 25 1.057 8.319 3.833 1.00 0.00 H new ATOM 0 HA ARG A 25 1.084 7.459 6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.670 9.626 5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.146 9.403 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.920 9.976 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.918 11.287 5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.631 9.455 7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.039 11.098 6.910 1.00 0.00 H new ATOM 0 HE ARG A 25 0.449 10.898 8.259 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.946 11.165 8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.821 11.889 10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.297 11.826 10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.763 12.261 11.207 1.00 0.00 H new ATOM 349 N ALA A 26 -1.283 6.539 6.691 1.00 0.00 N ATOM 350 CA ALA A 26 -2.499 5.738 6.621 1.00 0.00 C ATOM 351 C ALA A 26 -3.350 5.923 7.872 1.00 0.00 C ATOM 352 O ALA A 26 -2.856 5.807 8.994 1.00 0.00 O ATOM 353 CB ALA A 26 -2.153 4.269 6.428 1.00 0.00 C ATOM 0 H ALA A 26 -0.909 6.657 7.633 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.080 6.078 5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.070 3.683 6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.592 4.146 5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.548 3.924 7.267 1.00 0.00 H new ATOM 359 N TYR A 27 -4.631 6.212 7.673 1.00 0.00 N ATOM 360 CA TYR A 27 -5.551 6.416 8.786 1.00 0.00 C ATOM 361 C TYR A 27 -6.973 6.022 8.397 1.00 0.00 C ATOM 362 O TYR A 27 -7.428 6.311 7.291 1.00 0.00 O ATOM 363 CB TYR A 27 -5.520 7.877 9.239 1.00 0.00 C ATOM 364 CG TYR A 27 -5.528 8.866 8.095 1.00 0.00 C ATOM 365 CD1 TYR A 27 -6.718 9.244 7.486 1.00 0.00 C ATOM 366 CD2 TYR A 27 -4.345 9.421 7.623 1.00 0.00 C ATOM 367 CE1 TYR A 27 -6.730 10.147 6.440 1.00 0.00 C ATOM 368 CE2 TYR A 27 -4.348 10.325 6.578 1.00 0.00 C ATOM 369 CZ TYR A 27 -5.542 10.685 5.990 1.00 0.00 C ATOM 370 OH TYR A 27 -5.549 11.584 4.949 1.00 0.00 O ATOM 0 H TYR A 27 -5.056 6.310 6.751 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.230 5.780 9.611 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.381 8.068 9.880 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.629 8.042 9.845 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.650 8.825 7.836 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.408 9.141 8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.664 10.430 5.977 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.419 10.748 6.223 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.685 12.045 4.909 1.00 0.00 H new ATOM 380 N ALA A 28 -7.669 5.362 9.316 1.00 0.00 N ATOM 381 CA ALA A 28 -9.040 4.930 9.072 1.00 0.00 C ATOM 382 C ALA A 28 -10.011 6.101 9.179 1.00 0.00 C ATOM 383 O ALA A 28 -10.352 6.539 10.277 1.00 0.00 O ATOM 384 CB ALA A 28 -9.428 3.829 10.048 1.00 0.00 C ATOM 0 H ALA A 28 -7.306 5.115 10.237 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.096 4.537 8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.454 3.516 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.759 2.978 9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.349 4.203 11.069 1.00 0.00 H new ATOM 390 N ALA A 29 -10.453 6.603 8.031 1.00 0.00 N ATOM 391 CA ALA A 29 -11.386 7.722 7.995 1.00 0.00 C ATOM 392 C ALA A 29 -12.758 7.310 8.517 1.00 0.00 C ATOM 393 O ALA A 29 -13.508 8.135 9.039 1.00 0.00 O ATOM 394 CB ALA A 29 -11.501 8.270 6.580 1.00 0.00 C ATOM 0 H ALA A 29 -10.180 6.252 7.113 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.998 8.506 8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.201 9.105 6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.523 8.612 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.861 7.486 5.914 1.00 0.00 H new ATOM 400 N SER A 30 -13.080 6.028 8.373 1.00 0.00 N ATOM 401 CA SER A 30 -14.365 5.507 8.826 1.00 0.00 C ATOM 402 C SER A 30 -14.238 4.049 9.256 1.00 0.00 C ATOM 403 O SER A 30 -13.318 3.335 8.857 1.00 0.00 O ATOM 404 CB SER A 30 -15.411 5.635 7.717 1.00 0.00 C ATOM 405 OG SER A 30 -15.492 4.445 6.953 1.00 0.00 O ATOM 0 H SER A 30 -12.469 5.331 7.946 1.00 0.00 H new ATOM 0 HA SER A 30 -14.685 6.095 9.686 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.384 5.857 8.155 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.156 6.472 7.067 1.00 0.00 H new ATOM 0 HG SER A 30 -16.059 4.598 6.169 1.00 0.00 H new ATOM 411 N PRO A 31 -15.185 3.594 10.090 1.00 0.00 N ATOM 412 CA PRO A 31 -15.203 2.217 10.592 1.00 0.00 C ATOM 413 C PRO A 31 -15.540 1.207 9.502 1.00 0.00 C ATOM 414 O PRO A 31 -15.617 0.004 9.756 1.00 0.00 O ATOM 415 CB PRO A 31 -16.303 2.242 11.657 1.00 0.00 C ATOM 416 CG PRO A 31 -17.199 3.360 11.249 1.00 0.00 C ATOM 417 CD PRO A 31 -16.312 4.390 10.606 1.00 0.00 C ATOM 0 HA PRO A 31 -14.229 1.909 10.973 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.842 1.295 11.692 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.888 2.410 12.651 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.963 3.014 10.553 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.720 3.777 12.111 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.828 4.922 9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.979 5.139 11.325 1.00 0.00 H new ATOM 425 N THR A 32 -15.742 1.701 8.284 1.00 0.00 N ATOM 426 CA THR A 32 -16.071 0.842 7.155 1.00 0.00 C ATOM 427 C THR A 32 -15.172 1.135 5.959 1.00 0.00 C ATOM 428 O THR A 32 -15.210 0.427 4.953 1.00 0.00 O ATOM 429 CB THR A 32 -17.542 1.011 6.730 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.794 2.374 6.369 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.481 0.598 7.854 1.00 0.00 C ATOM 0 H THR A 32 -15.683 2.693 8.055 1.00 0.00 H new ATOM 0 HA THR A 32 -15.911 -0.185 7.483 1.00 0.00 H new ATOM 0 HB THR A 32 -17.725 0.367 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.008 2.920 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.514 0.726 7.531 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.307 -0.448 8.108 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.295 1.220 8.730 1.00 0.00 H new ATOM 439 N SER A 33 -14.364 2.184 6.076 1.00 0.00 N ATOM 440 CA SER A 33 -13.456 2.573 5.003 1.00 0.00 C ATOM 441 C SER A 33 -12.064 2.872 5.550 1.00 0.00 C ATOM 442 O SER A 33 -11.838 2.827 6.760 1.00 0.00 O ATOM 443 CB SER A 33 -14.001 3.797 4.265 1.00 0.00 C ATOM 444 OG SER A 33 -13.616 3.783 2.901 1.00 0.00 O ATOM 0 H SER A 33 -14.320 2.780 6.903 1.00 0.00 H new ATOM 0 HA SER A 33 -13.380 1.740 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.088 3.816 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.633 4.706 4.741 1.00 0.00 H new ATOM 0 HG SER A 33 -12.774 3.291 2.804 1.00 0.00 H new ATOM 450 N ILE A 34 -11.135 3.177 4.651 1.00 0.00 N ATOM 451 CA ILE A 34 -9.765 3.485 5.043 1.00 0.00 C ATOM 452 C ILE A 34 -9.077 4.355 3.997 1.00 0.00 C ATOM 453 O ILE A 34 -8.971 3.977 2.830 1.00 0.00 O ATOM 454 CB ILE A 34 -8.938 2.203 5.253 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.458 1.428 6.465 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.466 2.545 5.427 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.684 0.160 6.748 1.00 0.00 C ATOM 0 H ILE A 34 -11.306 3.218 3.646 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.821 4.030 5.985 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.042 1.572 4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.417 2.073 7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.506 1.176 6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.895 1.629 5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.104 3.059 4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.343 3.193 6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.108 -0.338 7.620 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.746 -0.504 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.640 0.407 6.942 1.00 0.00 H new ATOM 469 N THR A 35 -8.607 5.524 4.423 1.00 0.00 N ATOM 470 CA THR A 35 -7.927 6.448 3.524 1.00 0.00 C ATOM 471 C THR A 35 -6.413 6.332 3.658 1.00 0.00 C ATOM 472 O THR A 35 -5.876 6.325 4.766 1.00 0.00 O ATOM 473 CB THR A 35 -8.344 7.906 3.797 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.743 8.071 3.539 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.546 8.868 2.930 1.00 0.00 C ATOM 0 H THR A 35 -8.685 5.853 5.385 1.00 0.00 H new ATOM 0 HA THR A 35 -8.221 6.176 2.510 1.00 0.00 H new ATOM 0 HB THR A 35 -8.139 8.130 4.844 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.900 8.063 2.572 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.858 9.891 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.484 8.760 3.149 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.724 8.643 1.878 1.00 0.00 H new ATOM 483 N VAL A 36 -5.729 6.241 2.522 1.00 0.00 N ATOM 484 CA VAL A 36 -4.275 6.126 2.512 1.00 0.00 C ATOM 485 C VAL A 36 -3.644 7.211 1.647 1.00 0.00 C ATOM 486 O VAL A 36 -4.062 7.436 0.510 1.00 0.00 O ATOM 487 CB VAL A 36 -3.824 4.747 1.996 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.338 4.542 2.247 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.641 3.641 2.649 1.00 0.00 C ATOM 0 H VAL A 36 -6.158 6.245 1.597 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.941 6.247 3.543 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.995 4.707 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.038 3.562 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.771 5.316 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.138 4.601 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.309 2.673 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.504 3.677 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.696 3.780 2.412 1.00 0.00 H new ATOM 499 N THR A 37 -2.634 7.882 2.191 1.00 0.00 N ATOM 500 CA THR A 37 -1.945 8.945 1.470 1.00 0.00 C ATOM 501 C THR A 37 -0.446 8.679 1.400 1.00 0.00 C ATOM 502 O THR A 37 0.138 8.118 2.327 1.00 0.00 O ATOM 503 CB THR A 37 -2.182 10.317 2.129 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.310 10.477 3.253 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.629 10.459 2.578 1.00 0.00 C ATOM 0 H THR A 37 -2.275 7.708 3.130 1.00 0.00 H new ATOM 0 HA THR A 37 -2.356 8.960 0.461 1.00 0.00 H new ATOM 0 HB THR A 37 -1.970 11.091 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.465 11.352 3.666 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.772 11.436 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.289 10.366 1.715 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.864 9.678 3.301 1.00 0.00 H new ATOM 513 N TRP A 38 0.172 9.087 0.297 1.00 0.00 N ATOM 514 CA TRP A 38 1.605 8.893 0.108 1.00 0.00 C ATOM 515 C TRP A 38 2.190 9.989 -0.776 1.00 0.00 C ATOM 516 O TRP A 38 1.460 10.819 -1.315 1.00 0.00 O ATOM 517 CB TRP A 38 1.877 7.521 -0.511 1.00 0.00 C ATOM 518 CG TRP A 38 1.153 7.298 -1.804 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.523 7.749 -3.039 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.067 6.571 -1.989 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.607 7.346 -3.980 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.377 6.621 -3.362 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.925 5.881 -1.129 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.510 6.009 -3.891 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.049 5.274 -1.655 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.333 5.340 -3.026 1.00 0.00 C ATOM 0 H TRP A 38 -0.297 9.554 -0.479 1.00 0.00 H new ATOM 0 HA TRP A 38 2.086 8.945 1.085 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.948 7.413 -0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.586 6.746 0.198 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.406 8.336 -3.245 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.652 7.553 -4.978 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.713 5.823 -0.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.732 6.060 -4.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.720 4.740 -0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.219 4.853 -3.407 1.00 0.00 H new ATOM 537 N GLU A 39 3.512 9.984 -0.921 1.00 0.00 N ATOM 538 CA GLU A 39 4.194 10.979 -1.740 1.00 0.00 C ATOM 539 C GLU A 39 5.040 10.308 -2.818 1.00 0.00 C ATOM 540 O GLU A 39 5.302 9.106 -2.761 1.00 0.00 O ATOM 541 CB GLU A 39 5.075 11.874 -0.866 1.00 0.00 C ATOM 542 CG GLU A 39 4.311 12.985 -0.167 1.00 0.00 C ATOM 543 CD GLU A 39 4.090 14.192 -1.058 1.00 0.00 C ATOM 544 OE1 GLU A 39 5.027 15.005 -1.199 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.980 14.322 -1.615 1.00 0.00 O ATOM 0 H GLU A 39 4.131 9.302 -0.482 1.00 0.00 H new ATOM 0 HA GLU A 39 3.437 11.593 -2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.572 11.259 -0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.856 12.316 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.346 12.603 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.858 13.292 0.725 1.00 0.00 H new ATOM 552 N THR A 40 5.466 11.095 -3.802 1.00 0.00 N ATOM 553 CA THR A 40 6.281 10.579 -4.894 1.00 0.00 C ATOM 554 C THR A 40 7.759 10.571 -4.521 1.00 0.00 C ATOM 555 O THR A 40 8.287 11.530 -3.957 1.00 0.00 O ATOM 556 CB THR A 40 6.091 11.409 -6.178 1.00 0.00 C ATOM 557 OG1 THR A 40 4.750 11.269 -6.658 1.00 0.00 O ATOM 558 CG2 THR A 40 7.070 10.969 -7.256 1.00 0.00 C ATOM 0 H THR A 40 5.260 12.092 -3.864 1.00 0.00 H new ATOM 0 HA THR A 40 5.951 9.557 -5.079 1.00 0.00 H new ATOM 0 HB THR A 40 6.283 12.455 -5.940 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.700 10.507 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.917 11.569 -8.153 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.091 11.105 -6.898 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.905 9.917 -7.490 1.00 0.00 H new ATOM 566 N PRO A 41 8.446 9.465 -4.844 1.00 0.00 N ATOM 567 CA PRO A 41 9.874 9.308 -4.553 1.00 0.00 C ATOM 568 C PRO A 41 10.745 10.218 -5.412 1.00 0.00 C ATOM 569 O PRO A 41 10.725 10.134 -6.640 1.00 0.00 O ATOM 570 CB PRO A 41 10.144 7.838 -4.886 1.00 0.00 C ATOM 571 CG PRO A 41 9.098 7.478 -5.884 1.00 0.00 C ATOM 572 CD PRO A 41 7.882 8.284 -5.518 1.00 0.00 C ATOM 0 HA PRO A 41 10.112 9.577 -3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.145 7.702 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.075 7.211 -3.997 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.429 7.709 -6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.882 6.410 -5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.304 8.562 -6.399 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.214 7.727 -4.861 1.00 0.00 H new ATOM 580 N VAL A 42 11.510 11.087 -4.759 1.00 0.00 N ATOM 581 CA VAL A 42 12.389 12.012 -5.464 1.00 0.00 C ATOM 582 C VAL A 42 13.515 11.267 -6.174 1.00 0.00 C ATOM 583 O VAL A 42 14.096 11.770 -7.135 1.00 0.00 O ATOM 584 CB VAL A 42 13.001 13.048 -4.503 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.905 13.809 -3.771 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.940 12.370 -3.517 1.00 0.00 C ATOM 0 H VAL A 42 11.539 11.170 -3.743 1.00 0.00 H new ATOM 0 HA VAL A 42 11.777 12.530 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 42 13.580 13.763 -5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.356 14.537 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.276 14.327 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.298 13.109 -3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.364 13.117 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.387 11.632 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.744 11.875 -4.062 1.00 0.00 H new ATOM 650 N ILE A 48 6.611 8.431 -13.161 1.00 0.00 N ATOM 651 CA ILE A 48 5.816 7.264 -12.801 1.00 0.00 C ATOM 652 C ILE A 48 4.674 7.051 -13.789 1.00 0.00 C ATOM 653 O ILE A 48 3.928 7.980 -14.099 1.00 0.00 O ATOM 654 CB ILE A 48 5.234 7.395 -11.382 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.361 7.494 -10.352 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.327 6.213 -11.070 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.272 6.287 -10.334 1.00 0.00 C ATOM 0 HA ILE A 48 6.486 6.404 -12.832 1.00 0.00 H new ATOM 0 HB ILE A 48 4.640 8.307 -11.332 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.955 8.384 -10.560 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.926 7.625 -9.361 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.923 6.320 -10.063 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.508 6.183 -11.788 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.900 5.288 -11.135 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.047 6.427 -9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.691 5.396 -10.096 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.736 6.167 -11.313 1.00 0.00 H new ATOM 669 N GLN A 49 4.543 5.822 -14.279 1.00 0.00 N ATOM 670 CA GLN A 49 3.491 5.488 -15.231 1.00 0.00 C ATOM 671 C GLN A 49 2.149 5.329 -14.525 1.00 0.00 C ATOM 672 O GLN A 49 1.128 5.832 -14.992 1.00 0.00 O ATOM 673 CB GLN A 49 3.842 4.201 -15.980 1.00 0.00 C ATOM 674 CG GLN A 49 4.880 4.398 -17.073 1.00 0.00 C ATOM 675 CD GLN A 49 4.384 5.285 -18.198 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.312 5.885 -18.103 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.161 5.373 -19.270 1.00 0.00 N ATOM 0 H GLN A 49 5.152 5.042 -14.032 1.00 0.00 H new ATOM 0 HA GLN A 49 3.410 6.306 -15.947 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.213 3.465 -15.267 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.935 3.788 -16.422 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.779 4.836 -16.640 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.163 3.427 -17.479 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.041 4.858 -19.306 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.878 5.955 -20.058 1.00 0.00 H new ATOM 686 N ASN A 50 2.158 4.625 -13.398 1.00 0.00 N ATOM 687 CA ASN A 50 0.940 4.399 -12.627 1.00 0.00 C ATOM 688 C ASN A 50 1.270 4.021 -11.187 1.00 0.00 C ATOM 689 O ASN A 50 2.406 3.664 -10.872 1.00 0.00 O ATOM 690 CB ASN A 50 0.099 3.298 -13.276 1.00 0.00 C ATOM 691 CG ASN A 50 -1.348 3.335 -12.825 1.00 0.00 C ATOM 692 OD1 ASN A 50 -1.739 4.183 -12.022 1.00 0.00 O ATOM 693 ND2 ASN A 50 -2.153 2.414 -13.342 1.00 0.00 N ATOM 0 H ASN A 50 2.995 4.201 -12.998 1.00 0.00 H new ATOM 0 HA ASN A 50 0.368 5.327 -12.618 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.142 3.403 -14.360 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.528 2.326 -13.033 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.138 2.390 -13.077 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.787 1.730 -14.004 1.00 0.00 H new ATOM 700 N TYR A 51 0.270 4.102 -10.316 1.00 0.00 N ATOM 701 CA TYR A 51 0.454 3.770 -8.908 1.00 0.00 C ATOM 702 C TYR A 51 -0.440 2.602 -8.503 1.00 0.00 C ATOM 703 O TYR A 51 -1.660 2.654 -8.659 1.00 0.00 O ATOM 704 CB TYR A 51 0.151 4.986 -8.032 1.00 0.00 C ATOM 705 CG TYR A 51 1.168 6.098 -8.167 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.473 5.929 -7.722 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.823 7.316 -8.738 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.405 6.942 -7.843 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.748 8.334 -8.864 1.00 0.00 C ATOM 710 CZ TYR A 51 3.038 8.142 -8.415 1.00 0.00 C ATOM 711 OH TYR A 51 3.963 9.154 -8.537 1.00 0.00 O ATOM 0 H TYR A 51 -0.676 4.395 -10.560 1.00 0.00 H new ATOM 0 HA TYR A 51 1.494 3.476 -8.763 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.835 5.373 -8.290 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.106 4.670 -6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.764 4.990 -7.274 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.186 7.470 -9.090 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.416 6.795 -7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.463 9.275 -9.311 1.00 0.00 H new ATOM 0 HH TYR A 51 3.543 9.931 -8.961 1.00 0.00 H new ATOM 721 N LYS A 52 0.176 1.547 -7.979 1.00 0.00 N ATOM 722 CA LYS A 52 -0.561 0.366 -7.548 1.00 0.00 C ATOM 723 C LYS A 52 -0.683 0.325 -6.028 1.00 0.00 C ATOM 724 O LYS A 52 0.320 0.333 -5.314 1.00 0.00 O ATOM 725 CB LYS A 52 0.132 -0.904 -8.049 1.00 0.00 C ATOM 726 CG LYS A 52 -0.824 -2.050 -8.326 1.00 0.00 C ATOM 727 CD LYS A 52 -0.269 -2.999 -9.375 1.00 0.00 C ATOM 728 CE LYS A 52 0.549 -4.114 -8.742 1.00 0.00 C ATOM 729 NZ LYS A 52 1.878 -3.631 -8.277 1.00 0.00 N ATOM 0 H LYS A 52 1.185 1.487 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.563 0.418 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.682 -0.672 -8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.865 -1.224 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.014 -2.598 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.781 -1.653 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.090 -3.429 -9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.353 -2.443 -10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.000 -4.534 -7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.687 -4.918 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.398 -4.416 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.419 -3.269 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.747 -2.869 -7.581 1.00 0.00 H new ATOM 743 N LEU A 53 -1.918 0.281 -5.540 1.00 0.00 N ATOM 744 CA LEU A 53 -2.171 0.237 -4.104 1.00 0.00 C ATOM 745 C LEU A 53 -2.725 -1.122 -3.690 1.00 0.00 C ATOM 746 O LEU A 53 -3.676 -1.625 -4.289 1.00 0.00 O ATOM 747 CB LEU A 53 -3.151 1.343 -3.705 1.00 0.00 C ATOM 748 CG LEU A 53 -3.808 1.195 -2.333 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.770 1.317 -1.228 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.906 2.232 -2.153 1.00 0.00 C ATOM 0 H LEU A 53 -2.759 0.275 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.224 0.395 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.622 2.296 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.937 1.393 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.258 0.204 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.256 1.209 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.019 0.536 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.290 2.294 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.363 2.112 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.479 3.232 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.664 2.097 -2.924 1.00 0.00 H new ATOM 762 N TYR A 54 -2.126 -1.711 -2.661 1.00 0.00 N ATOM 763 CA TYR A 54 -2.559 -3.012 -2.167 1.00 0.00 C ATOM 764 C TYR A 54 -3.388 -2.863 -0.894 1.00 0.00 C ATOM 765 O TYR A 54 -3.296 -1.854 -0.195 1.00 0.00 O ATOM 766 CB TYR A 54 -1.349 -3.908 -1.899 1.00 0.00 C ATOM 767 CG TYR A 54 -0.739 -4.493 -3.152 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.156 -3.675 -4.112 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.745 -5.864 -3.377 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.402 -4.205 -5.259 1.00 0.00 C ATOM 771 CE2 TYR A 54 -0.188 -6.403 -4.521 1.00 0.00 C ATOM 772 CZ TYR A 54 0.383 -5.569 -5.459 1.00 0.00 C ATOM 773 OH TYR A 54 0.939 -6.101 -6.600 1.00 0.00 O ATOM 0 H TYR A 54 -1.339 -1.308 -2.153 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.182 -3.474 -2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.590 -3.331 -1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.649 -4.721 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.139 -2.606 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.193 -6.520 -2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.851 -3.554 -5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.200 -7.471 -4.680 1.00 0.00 H new ATOM 0 HH TYR A 54 0.844 -7.076 -6.586 1.00 0.00 H new ATOM 783 N TYR A 55 -4.195 -3.876 -0.600 1.00 0.00 N ATOM 784 CA TYR A 55 -5.041 -3.859 0.587 1.00 0.00 C ATOM 785 C TYR A 55 -5.519 -5.265 0.936 1.00 0.00 C ATOM 786 O TYR A 55 -6.049 -5.981 0.087 1.00 0.00 O ATOM 787 CB TYR A 55 -6.244 -2.939 0.369 1.00 0.00 C ATOM 788 CG TYR A 55 -7.287 -3.517 -0.561 1.00 0.00 C ATOM 789 CD1 TYR A 55 -7.052 -3.615 -1.927 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.509 -3.964 -0.073 1.00 0.00 C ATOM 791 CE1 TYR A 55 -8.002 -4.142 -2.779 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.465 -4.494 -0.918 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.207 -4.580 -2.271 1.00 0.00 C ATOM 794 OH TYR A 55 -10.157 -5.106 -3.116 1.00 0.00 O ATOM 0 H TYR A 55 -4.281 -4.719 -1.167 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.448 -3.480 1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.707 -2.725 1.332 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.896 -1.989 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.110 -3.273 -2.329 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.715 -3.896 0.985 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.802 -4.211 -3.838 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.409 -4.839 -0.522 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.947 -5.368 -2.598 1.00 0.00 H new ATOM 804 N MET A 56 -5.329 -5.653 2.193 1.00 0.00 N ATOM 805 CA MET A 56 -5.742 -6.973 2.656 1.00 0.00 C ATOM 806 C MET A 56 -5.897 -6.993 4.173 1.00 0.00 C ATOM 807 O MET A 56 -5.377 -6.122 4.870 1.00 0.00 O ATOM 808 CB MET A 56 -4.725 -8.030 2.222 1.00 0.00 C ATOM 809 CG MET A 56 -3.636 -8.285 3.251 1.00 0.00 C ATOM 810 SD MET A 56 -2.232 -9.187 2.568 1.00 0.00 S ATOM 811 CE MET A 56 -1.783 -10.220 3.962 1.00 0.00 C ATOM 0 H MET A 56 -4.892 -5.072 2.909 1.00 0.00 H new ATOM 0 HA MET A 56 -6.708 -7.202 2.207 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.248 -8.965 2.020 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.263 -7.715 1.286 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.290 -7.332 3.652 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.054 -8.849 4.085 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.927 -10.839 3.695 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.524 -9.590 4.813 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.625 -10.860 4.227 1.00 0.00 H new ATOM 821 N GLU A 57 -6.617 -7.991 4.677 1.00 0.00 N ATOM 822 CA GLU A 57 -6.841 -8.121 6.112 1.00 0.00 C ATOM 823 C GLU A 57 -5.645 -8.784 6.791 1.00 0.00 C ATOM 824 O GLU A 57 -5.006 -9.669 6.223 1.00 0.00 O ATOM 825 CB GLU A 57 -8.109 -8.934 6.381 1.00 0.00 C ATOM 826 CG GLU A 57 -9.392 -8.155 6.148 1.00 0.00 C ATOM 827 CD GLU A 57 -10.621 -9.044 6.138 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.953 -9.608 7.201 1.00 0.00 O ATOM 829 OE2 GLU A 57 -11.249 -9.174 5.067 1.00 0.00 O ATOM 0 H GLU A 57 -7.054 -8.720 4.114 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.965 -7.121 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.108 -9.816 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.091 -9.289 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.501 -7.400 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.324 -7.625 5.198 1.00 0.00 H new ATOM 836 N LYS A 58 -5.349 -8.347 8.010 1.00 0.00 N ATOM 837 CA LYS A 58 -4.231 -8.896 8.769 1.00 0.00 C ATOM 838 C LYS A 58 -4.500 -10.345 9.163 1.00 0.00 C ATOM 839 O LYS A 58 -5.321 -10.619 10.037 1.00 0.00 O ATOM 840 CB LYS A 58 -3.977 -8.055 10.022 1.00 0.00 C ATOM 841 CG LYS A 58 -2.525 -8.053 10.469 1.00 0.00 C ATOM 842 CD LYS A 58 -1.744 -6.921 9.823 1.00 0.00 C ATOM 843 CE LYS A 58 -0.245 -7.174 9.882 1.00 0.00 C ATOM 844 NZ LYS A 58 0.145 -8.382 9.105 1.00 0.00 N ATOM 0 H LYS A 58 -5.868 -7.614 8.494 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.345 -8.869 8.134 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.291 -7.029 9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.598 -8.432 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.477 -7.956 11.554 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.063 -9.007 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.055 -6.810 8.784 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.976 -5.983 10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.285 -6.305 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.062 -7.296 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.156 -8.331 8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.034 -9.234 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.414 -8.427 8.229 1.00 0.00 H new ATOM 858 N GLY A 59 -3.802 -11.270 8.511 1.00 0.00 N ATOM 859 CA GLY A 59 -3.979 -12.680 8.808 1.00 0.00 C ATOM 860 C GLY A 59 -4.859 -13.380 7.791 1.00 0.00 C ATOM 861 O GLY A 59 -5.742 -14.159 8.154 1.00 0.00 O ATOM 0 H GLY A 59 -3.117 -11.068 7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.004 -13.167 8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.419 -12.787 9.800 1.00 0.00 H new ATOM 865 N THR A 60 -4.620 -13.103 6.513 1.00 0.00 N ATOM 866 CA THR A 60 -5.399 -13.709 5.441 1.00 0.00 C ATOM 867 C THR A 60 -4.491 -14.355 4.400 1.00 0.00 C ATOM 868 O THR A 60 -4.879 -15.316 3.735 1.00 0.00 O ATOM 869 CB THR A 60 -6.302 -12.672 4.746 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.734 -11.688 5.692 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.513 -13.345 4.118 1.00 0.00 C ATOM 0 H THR A 60 -3.893 -12.462 6.195 1.00 0.00 H new ATOM 0 HA THR A 60 -6.025 -14.475 5.899 1.00 0.00 H new ATOM 0 HB THR A 60 -5.725 -12.189 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.039 -11.004 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.136 -12.594 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.181 -14.074 3.378 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.090 -13.851 4.892 1.00 0.00 H new ATOM 879 N ASP A 61 -3.283 -13.820 4.263 1.00 0.00 N ATOM 880 CA ASP A 61 -2.319 -14.346 3.303 1.00 0.00 C ATOM 881 C ASP A 61 -2.835 -14.193 1.875 1.00 0.00 C ATOM 882 O ASP A 61 -2.445 -14.942 0.979 1.00 0.00 O ATOM 883 CB ASP A 61 -2.025 -15.818 3.597 1.00 0.00 C ATOM 884 CG ASP A 61 -1.512 -16.035 5.007 1.00 0.00 C ATOM 885 OD1 ASP A 61 -2.329 -15.982 5.950 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.294 -16.260 5.167 1.00 0.00 O ATOM 0 H ASP A 61 -2.948 -13.023 4.804 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.397 -13.773 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.933 -16.403 3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.288 -16.188 2.884 1.00 0.00 H new ATOM 891 N LYS A 62 -3.715 -13.218 1.671 1.00 0.00 N ATOM 892 CA LYS A 62 -4.285 -12.965 0.353 1.00 0.00 C ATOM 893 C LYS A 62 -4.284 -11.473 0.037 1.00 0.00 C ATOM 894 O LYS A 62 -5.289 -10.789 0.226 1.00 0.00 O ATOM 895 CB LYS A 62 -5.712 -13.512 0.279 1.00 0.00 C ATOM 896 CG LYS A 62 -6.335 -13.403 -1.102 1.00 0.00 C ATOM 897 CD LYS A 62 -5.713 -14.392 -2.074 1.00 0.00 C ATOM 898 CE LYS A 62 -6.215 -15.806 -1.827 1.00 0.00 C ATOM 899 NZ LYS A 62 -7.671 -15.935 -2.111 1.00 0.00 N ATOM 0 H LYS A 62 -4.049 -12.590 2.402 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.668 -13.475 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.707 -14.558 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.336 -12.974 0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.408 -13.584 -1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.207 -12.389 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.947 -14.095 -3.096 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.628 -14.367 -1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.659 -16.503 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.021 -16.085 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.908 -16.936 -2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.216 -15.570 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.908 -15.389 -2.964 1.00 0.00 H new ATOM 913 N GLU A 63 -3.149 -10.976 -0.447 1.00 0.00 N ATOM 914 CA GLU A 63 -3.019 -9.565 -0.790 1.00 0.00 C ATOM 915 C GLU A 63 -3.691 -9.266 -2.127 1.00 0.00 C ATOM 916 O GLU A 63 -3.770 -10.130 -3.000 1.00 0.00 O ATOM 917 CB GLU A 63 -1.544 -9.165 -0.847 1.00 0.00 C ATOM 918 CG GLU A 63 -1.287 -7.724 -0.438 1.00 0.00 C ATOM 919 CD GLU A 63 0.099 -7.246 -0.824 1.00 0.00 C ATOM 920 OE1 GLU A 63 0.681 -7.818 -1.770 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.602 -6.301 -0.182 1.00 0.00 O ATOM 0 H GLU A 63 -2.308 -11.529 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.516 -8.982 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.972 -9.826 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.174 -9.317 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.032 -7.080 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.413 -7.628 0.640 1.00 0.00 H new ATOM 928 N GLN A 64 -4.173 -8.036 -2.279 1.00 0.00 N ATOM 929 CA GLN A 64 -4.839 -7.624 -3.508 1.00 0.00 C ATOM 930 C GLN A 64 -4.202 -6.359 -4.074 1.00 0.00 C ATOM 931 O GLN A 64 -3.291 -5.789 -3.474 1.00 0.00 O ATOM 932 CB GLN A 64 -6.328 -7.388 -3.252 1.00 0.00 C ATOM 933 CG GLN A 64 -7.077 -8.638 -2.820 1.00 0.00 C ATOM 934 CD GLN A 64 -8.582 -8.458 -2.853 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.197 -8.091 -1.851 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.184 -8.717 -4.008 1.00 0.00 N ATOM 0 H GLN A 64 -4.114 -7.309 -1.566 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.726 -8.425 -4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.439 -6.624 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.786 -6.995 -4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.800 -9.466 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.770 -8.910 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.635 -9.019 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.195 -8.614 -4.090 1.00 0.00 H new ATOM 945 N ASP A 65 -4.686 -5.926 -5.233 1.00 0.00 N ATOM 946 CA ASP A 65 -4.164 -4.728 -5.881 1.00 0.00 C ATOM 947 C ASP A 65 -5.286 -3.940 -6.549 1.00 0.00 C ATOM 948 O ASP A 65 -6.236 -4.518 -7.078 1.00 0.00 O ATOM 949 CB ASP A 65 -3.101 -5.103 -6.914 1.00 0.00 C ATOM 950 CG ASP A 65 -3.594 -6.144 -7.900 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.822 -6.230 -8.107 1.00 0.00 O ATOM 952 OD2 ASP A 65 -2.751 -6.873 -8.465 1.00 0.00 O ATOM 0 H ASP A 65 -5.439 -6.387 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.709 -4.099 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.795 -4.209 -7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.218 -5.483 -6.401 1.00 0.00 H new ATOM 957 N VAL A 66 -5.169 -2.616 -6.522 1.00 0.00 N ATOM 958 CA VAL A 66 -6.173 -1.747 -7.125 1.00 0.00 C ATOM 959 C VAL A 66 -5.521 -0.659 -7.971 1.00 0.00 C ATOM 960 O VAL A 66 -4.442 -0.166 -7.642 1.00 0.00 O ATOM 961 CB VAL A 66 -7.061 -1.087 -6.054 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.815 -2.143 -5.260 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.223 -0.213 -5.133 1.00 0.00 C ATOM 0 H VAL A 66 -4.389 -2.122 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.794 -2.376 -7.763 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.793 -0.452 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.437 -1.658 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.446 -2.723 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.103 -2.806 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.866 0.246 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.468 -0.824 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.734 0.567 -5.717 1.00 0.00 H new ATOM 973 N ASP A 67 -6.184 -0.289 -9.061 1.00 0.00 N ATOM 974 CA ASP A 67 -5.670 0.743 -9.954 1.00 0.00 C ATOM 975 C ASP A 67 -5.875 2.131 -9.356 1.00 0.00 C ATOM 976 O ASP A 67 -7.003 2.538 -9.076 1.00 0.00 O ATOM 977 CB ASP A 67 -6.357 0.656 -11.318 1.00 0.00 C ATOM 978 CG ASP A 67 -7.658 1.434 -11.362 1.00 0.00 C ATOM 979 OD1 ASP A 67 -8.691 0.888 -10.921 1.00 0.00 O ATOM 980 OD2 ASP A 67 -7.643 2.589 -11.838 1.00 0.00 O ATOM 0 H ASP A 67 -7.078 -0.688 -9.347 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.600 0.577 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.683 1.037 -12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.554 -0.389 -11.556 1.00 0.00 H new ATOM 985 N VAL A 68 -4.776 2.854 -9.161 1.00 0.00 N ATOM 986 CA VAL A 68 -4.835 4.197 -8.595 1.00 0.00 C ATOM 987 C VAL A 68 -3.852 5.130 -9.293 1.00 0.00 C ATOM 988 O VAL A 68 -2.723 4.745 -9.596 1.00 0.00 O ATOM 989 CB VAL A 68 -4.530 4.183 -7.085 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.632 5.587 -6.508 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.469 3.231 -6.361 1.00 0.00 C ATOM 0 H VAL A 68 -3.835 2.532 -9.387 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.850 4.562 -8.749 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.509 3.829 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.414 5.558 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.915 6.239 -7.008 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.640 5.971 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.239 3.234 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.500 3.552 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.342 2.223 -6.757 1.00 0.00 H new ATOM 1001 N SER A 69 -4.289 6.360 -9.544 1.00 0.00 N ATOM 1002 CA SER A 69 -3.449 7.349 -10.210 1.00 0.00 C ATOM 1003 C SER A 69 -3.462 8.672 -9.450 1.00 0.00 C ATOM 1004 O SER A 69 -3.638 9.737 -10.040 1.00 0.00 O ATOM 1005 CB SER A 69 -3.924 7.569 -11.647 1.00 0.00 C ATOM 1006 OG SER A 69 -2.842 7.908 -12.496 1.00 0.00 O ATOM 0 H SER A 69 -5.220 6.696 -9.296 1.00 0.00 H new ATOM 0 HA SER A 69 -2.427 6.969 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.410 6.665 -12.015 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.670 8.363 -11.669 1.00 0.00 H new ATOM 0 HG SER A 69 -3.172 8.042 -13.409 1.00 0.00 H new ATOM 1012 N SER A 70 -3.274 8.594 -8.136 1.00 0.00 N ATOM 1013 CA SER A 70 -3.267 9.785 -7.294 1.00 0.00 C ATOM 1014 C SER A 70 -2.448 9.550 -6.028 1.00 0.00 C ATOM 1015 O SER A 70 -2.079 8.417 -5.715 1.00 0.00 O ATOM 1016 CB SER A 70 -4.698 10.180 -6.923 1.00 0.00 C ATOM 1017 OG SER A 70 -5.186 9.387 -5.854 1.00 0.00 O ATOM 0 H SER A 70 -3.125 7.720 -7.632 1.00 0.00 H new ATOM 0 HA SER A 70 -2.807 10.597 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.726 11.233 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.347 10.065 -7.791 1.00 0.00 H new ATOM 0 HG SER A 70 -5.578 9.967 -5.169 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.167 10.628 -5.304 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.392 10.541 -4.071 1.00 0.00 C ATOM 1025 C HIS A 71 -2.309 10.363 -2.864 1.00 0.00 C ATOM 1026 O HIS A 71 -1.932 10.676 -1.735 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.533 11.793 -3.894 1.00 0.00 C ATOM 1028 CG HIS A 71 0.439 12.016 -5.012 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.285 13.008 -5.957 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.584 11.368 -5.331 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.292 12.960 -6.811 1.00 0.00 C ATOM 1032 NE2 HIS A 71 2.095 11.974 -6.453 1.00 0.00 N ATOM 0 H HIS A 71 -2.464 11.572 -5.549 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.740 9.670 -4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.185 12.662 -3.812 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.016 11.717 -2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.015 10.531 -4.802 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.434 13.615 -7.658 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.955 11.706 -6.932 1.00 0.00 H new ATOM 1041 N SER A 72 -3.514 9.860 -3.112 1.00 0.00 N ATOM 1042 CA SER A 72 -4.486 9.646 -2.046 1.00 0.00 C ATOM 1043 C SER A 72 -5.670 8.825 -2.548 1.00 0.00 C ATOM 1044 O SER A 72 -6.302 9.173 -3.546 1.00 0.00 O ATOM 1045 CB SER A 72 -4.976 10.987 -1.496 1.00 0.00 C ATOM 1046 OG SER A 72 -5.802 11.652 -2.437 1.00 0.00 O ATOM 0 H SER A 72 -3.840 9.593 -4.041 1.00 0.00 H new ATOM 0 HA SER A 72 -3.995 9.092 -1.246 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.530 10.824 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.121 11.617 -1.248 1.00 0.00 H new ATOM 0 HG SER A 72 -6.172 10.999 -3.066 1.00 0.00 H new ATOM 1052 N TYR A 73 -5.964 7.735 -1.849 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.071 6.862 -2.224 1.00 0.00 C ATOM 1054 C TYR A 73 -7.840 6.397 -0.991 1.00 0.00 C ATOM 1055 O TYR A 73 -7.275 6.264 0.095 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.552 5.652 -3.002 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.650 4.758 -3.534 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.164 3.723 -2.763 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.172 4.947 -4.807 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.166 2.903 -3.244 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.175 4.133 -5.296 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.669 3.113 -4.511 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.667 2.299 -4.995 1.00 0.00 O ATOM 0 H TYR A 73 -5.452 7.434 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.750 7.430 -2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.943 6.001 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.900 5.066 -2.354 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.773 3.557 -1.770 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.787 5.744 -5.425 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.553 2.102 -2.632 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.570 4.295 -6.288 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.909 2.582 -5.902 1.00 0.00 H new ATOM 1073 N THR A 74 -9.134 6.149 -1.168 1.00 0.00 N ATOM 1074 CA THR A 74 -9.982 5.698 -0.071 1.00 0.00 C ATOM 1075 C THR A 74 -10.634 4.359 -0.395 1.00 0.00 C ATOM 1076 O THR A 74 -11.271 4.204 -1.437 1.00 0.00 O ATOM 1077 CB THR A 74 -11.083 6.728 0.247 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.501 8.021 0.445 1.00 0.00 O ATOM 1079 CG2 THR A 74 -11.862 6.321 1.488 1.00 0.00 C ATOM 0 H THR A 74 -9.618 6.253 -2.060 1.00 0.00 H new ATOM 0 HA THR A 74 -9.338 5.584 0.801 1.00 0.00 H new ATOM 0 HB THR A 74 -11.771 6.765 -0.598 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.207 8.670 0.645 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.634 7.063 1.693 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.328 5.349 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.184 6.258 2.339 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.471 3.395 0.505 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.045 2.068 0.315 1.00 0.00 C ATOM 1089 C ILE A 75 -12.250 1.856 1.225 1.00 0.00 C ATOM 1090 O ILE A 75 -12.117 1.814 2.448 1.00 0.00 O ATOM 1091 CB ILE A 75 -10.009 0.962 0.587 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.866 1.043 -0.427 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.671 -0.407 0.539 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.576 0.425 0.066 1.00 0.00 C ATOM 0 H ILE A 75 -9.947 3.508 1.373 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.363 2.007 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.595 1.109 1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.171 0.543 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.686 2.089 -0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.926 -1.178 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.453 -0.460 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -11.109 -0.565 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.810 0.519 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.248 0.940 0.969 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.740 -0.629 0.289 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.425 1.720 0.620 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.655 1.510 1.376 1.00 0.00 C ATOM 1108 C ASN A 76 -15.105 0.055 1.290 1.00 0.00 C ATOM 1109 O ASN A 76 -14.732 -0.667 0.366 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.761 2.430 0.856 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.291 3.861 0.684 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.675 4.748 1.447 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.455 4.093 -0.321 1.00 0.00 N ATOM 0 H ASN A 76 -13.552 1.751 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.455 1.748 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.124 2.053 -0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.603 2.408 1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.105 5.037 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.163 3.328 -0.929 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.910 -0.368 2.259 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.399 -1.735 2.274 1.00 0.00 C ATOM 1122 C GLY A 77 -15.507 -2.660 3.078 1.00 0.00 C ATOM 1123 O GLY A 77 -15.114 -3.725 2.601 1.00 0.00 O ATOM 0 H GLY A 77 -16.233 0.211 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.406 -1.753 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.471 -2.103 1.251 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.186 -2.254 4.302 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.334 -3.054 5.175 1.00 0.00 C ATOM 1129 C LEU A 78 -15.043 -3.369 6.488 1.00 0.00 C ATOM 1130 O LEU A 78 -16.067 -2.768 6.814 1.00 0.00 O ATOM 1131 CB LEU A 78 -13.022 -2.318 5.453 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.270 -1.800 4.227 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.077 -0.957 4.650 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.822 -2.958 3.347 1.00 0.00 C ATOM 0 H LEU A 78 -15.503 -1.376 4.712 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.116 -3.994 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.235 -1.473 6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.362 -2.989 6.003 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.947 -1.171 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.554 -0.597 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.422 -0.107 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.399 -1.562 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.288 -2.570 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.162 -3.613 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.694 -3.521 3.015 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.490 -4.313 7.241 1.00 0.00 N ATOM 1147 CA LYS A 79 -15.065 -4.707 8.522 1.00 0.00 C ATOM 1148 C LYS A 79 -14.753 -3.674 9.599 1.00 0.00 C ATOM 1149 O LYS A 79 -13.930 -2.780 9.397 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.532 -6.078 8.944 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.043 -7.221 8.084 1.00 0.00 C ATOM 1152 CD LYS A 79 -14.823 -8.566 8.756 1.00 0.00 C ATOM 1153 CE LYS A 79 -13.472 -9.159 8.386 1.00 0.00 C ATOM 1154 NZ LYS A 79 -13.039 -10.202 9.356 1.00 0.00 N ATOM 0 H LYS A 79 -13.643 -4.821 6.986 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.147 -4.766 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.443 -6.063 8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.810 -6.263 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.106 -7.082 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.535 -7.207 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.886 -8.448 9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.616 -9.254 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.527 -9.592 7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.725 -8.366 8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.114 -10.581 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.962 -9.783 10.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.738 -10.972 9.373 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.413 -3.802 10.745 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.204 -2.882 11.856 1.00 0.00 C ATOM 1170 C LYS A 80 -14.182 -3.441 12.841 1.00 0.00 C ATOM 1171 O LYS A 80 -14.036 -4.656 12.976 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.527 -2.611 12.577 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.384 -1.557 11.898 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.865 -1.808 12.130 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.419 -2.826 11.145 1.00 0.00 C ATOM 1176 NZ LYS A 80 -19.082 -4.221 11.541 1.00 0.00 N ATOM 0 H LYS A 80 -16.098 -4.535 10.928 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.819 -1.946 11.452 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.093 -3.540 12.642 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.316 -2.294 13.598 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.117 -0.570 12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.178 -1.553 10.828 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.020 -2.164 13.148 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.413 -0.871 12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.502 -2.718 11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.020 -2.624 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.802 -4.872 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.151 -4.476 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.058 -4.291 12.578 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.479 -2.547 13.528 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.470 -2.952 14.499 1.00 0.00 C ATOM 1192 C TYR A 81 -11.584 -4.058 13.936 1.00 0.00 C ATOM 1193 O TYR A 81 -11.303 -5.051 14.609 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.138 -3.426 15.791 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.256 -3.294 17.012 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.667 -2.079 17.341 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -12.012 -4.385 17.839 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.860 -1.955 18.455 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.208 -4.269 18.956 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.633 -3.052 19.259 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.831 -2.931 20.371 1.00 0.00 O ATOM 0 H TYR A 81 -13.590 -1.538 13.430 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.844 -2.087 14.717 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.052 -2.853 15.949 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.432 -4.469 15.677 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.843 -1.217 16.715 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.459 -5.340 17.604 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.409 -1.004 18.695 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.030 -5.126 19.589 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.774 -3.795 20.829 1.00 0.00 H new ATOM 1211 N THR A 82 -11.143 -3.880 12.694 1.00 0.00 N ATOM 1212 CA THR A 82 -10.289 -4.862 12.038 1.00 0.00 C ATOM 1213 C THR A 82 -9.093 -4.192 11.371 1.00 0.00 C ATOM 1214 O THR A 82 -9.223 -3.125 10.772 1.00 0.00 O ATOM 1215 CB THR A 82 -11.068 -5.666 10.980 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.092 -6.443 11.610 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.135 -6.583 10.202 1.00 0.00 C ATOM 0 H THR A 82 -11.364 -3.064 12.123 1.00 0.00 H new ATOM 0 HA THR A 82 -9.936 -5.542 12.813 1.00 0.00 H new ATOM 0 HB THR A 82 -11.524 -4.962 10.284 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.735 -5.845 12.045 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.708 -7.141 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.374 -5.986 9.699 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.654 -7.280 10.888 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.929 -4.825 11.481 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.710 -4.288 10.888 1.00 0.00 C ATOM 1227 C GLU A 83 -6.665 -4.568 9.389 1.00 0.00 C ATOM 1228 O GLU A 83 -7.288 -5.513 8.904 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.478 -4.890 11.568 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.253 -3.992 11.513 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.170 -4.424 12.482 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -2.887 -5.638 12.554 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.605 -3.547 13.169 1.00 0.00 O ATOM 0 H GLU A 83 -7.805 -5.709 11.975 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.708 -3.208 11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.716 -5.102 12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.241 -5.843 11.095 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.851 -3.994 10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.548 -2.967 11.737 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.924 -3.741 8.660 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.799 -3.897 7.216 1.00 0.00 C ATOM 1242 C TYR A 84 -4.448 -3.385 6.727 1.00 0.00 C ATOM 1243 O TYR A 84 -4.035 -2.273 7.058 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.928 -3.150 6.502 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.237 -3.907 6.482 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -9.099 -3.871 7.572 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.610 -4.659 5.376 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -10.295 -4.561 7.559 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -9.806 -5.352 5.353 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.644 -5.300 6.447 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.835 -5.989 6.429 1.00 0.00 O ATOM 0 H TYR A 84 -5.400 -2.955 9.046 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.870 -4.960 6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.082 -2.188 6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.623 -2.941 5.477 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.829 -3.294 8.444 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.954 -4.703 4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.954 -4.523 8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.082 -5.930 4.484 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.929 -6.457 5.573 1.00 0.00 H new ATOM 1261 N SER A 85 -3.762 -4.205 5.937 1.00 0.00 N ATOM 1262 CA SER A 85 -2.455 -3.839 5.405 1.00 0.00 C ATOM 1263 C SER A 85 -2.600 -2.989 4.146 1.00 0.00 C ATOM 1264 O SER A 85 -3.597 -3.084 3.430 1.00 0.00 O ATOM 1265 CB SER A 85 -1.637 -5.094 5.095 1.00 0.00 C ATOM 1266 OG SER A 85 -0.252 -4.800 5.046 1.00 0.00 O ATOM 0 H SER A 85 -4.090 -5.128 5.651 1.00 0.00 H new ATOM 0 HA SER A 85 -1.934 -3.252 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.825 -5.851 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.957 -5.514 4.141 1.00 0.00 H new ATOM 0 HG SER A 85 0.215 -5.505 4.550 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.598 -2.157 3.882 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.613 -1.288 2.711 1.00 0.00 C ATOM 1274 C PHE A 86 -0.194 -0.993 2.235 1.00 0.00 C ATOM 1275 O PHE A 86 0.675 -0.628 3.027 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.339 0.020 3.030 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.773 -0.172 3.434 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.738 -0.481 2.488 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -4.156 -0.046 4.759 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -6.058 -0.658 2.857 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.475 -0.222 5.134 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.426 -0.530 4.182 1.00 0.00 C ATOM 0 H PHE A 86 -0.765 -2.066 4.464 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.145 -1.805 1.912 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.810 0.533 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.300 0.670 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.455 -0.585 1.451 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.416 0.193 5.508 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.801 -0.896 2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.761 -0.119 6.170 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.457 -0.671 4.473 1.00 0.00 H new ATOM 1292 N ARG A 87 0.033 -1.155 0.935 1.00 0.00 N ATOM 1293 CA ARG A 87 1.347 -0.907 0.353 1.00 0.00 C ATOM 1294 C ARG A 87 1.220 -0.420 -1.088 1.00 0.00 C ATOM 1295 O ARG A 87 0.447 -0.968 -1.874 1.00 0.00 O ATOM 1296 CB ARG A 87 2.196 -2.179 0.399 1.00 0.00 C ATOM 1297 CG ARG A 87 1.656 -3.304 -0.468 1.00 0.00 C ATOM 1298 CD ARG A 87 2.686 -4.407 -0.655 1.00 0.00 C ATOM 1299 NE ARG A 87 2.513 -5.108 -1.925 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.403 -5.960 -2.421 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.522 -6.216 -1.757 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.175 -6.558 -3.583 1.00 0.00 N ATOM 0 H ARG A 87 -0.675 -1.457 0.266 1.00 0.00 H new ATOM 0 HA ARG A 87 1.836 -0.129 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.210 -1.940 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.260 -2.526 1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.757 -3.718 -0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.365 -2.908 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.687 -3.979 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.607 -5.120 0.166 1.00 0.00 H new ATOM 0 HE ARG A 87 1.662 -4.934 -2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.701 -5.758 -0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.204 -6.871 -2.140 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.315 -6.364 -4.097 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.859 -7.212 -3.963 1.00 0.00 H new ATOM 1316 N VAL A 88 1.983 0.614 -1.426 1.00 0.00 N ATOM 1317 CA VAL A 88 1.957 1.176 -2.772 1.00 0.00 C ATOM 1318 C VAL A 88 3.213 0.800 -3.549 1.00 0.00 C ATOM 1319 O VAL A 88 4.295 0.668 -2.976 1.00 0.00 O ATOM 1320 CB VAL A 88 1.828 2.710 -2.737 1.00 0.00 C ATOM 1321 CG1 VAL A 88 1.882 3.283 -4.145 1.00 0.00 C ATOM 1322 CG2 VAL A 88 0.542 3.120 -2.035 1.00 0.00 C ATOM 0 H VAL A 88 2.627 1.080 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 88 1.085 0.757 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 88 2.668 3.115 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.789 4.368 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.832 3.019 -4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.063 2.873 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.467 4.207 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.313 2.705 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.549 2.742 -1.013 1.00 0.00 H new ATOM 1332 N VAL A 89 3.063 0.628 -4.858 1.00 0.00 N ATOM 1333 CA VAL A 89 4.186 0.268 -5.716 1.00 0.00 C ATOM 1334 C VAL A 89 4.358 1.276 -6.847 1.00 0.00 C ATOM 1335 O VAL A 89 3.386 1.680 -7.485 1.00 0.00 O ATOM 1336 CB VAL A 89 4.005 -1.138 -6.318 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.220 -1.523 -7.149 1.00 0.00 C ATOM 1338 CG2 VAL A 89 3.755 -2.159 -5.219 1.00 0.00 C ATOM 0 H VAL A 89 2.175 0.732 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 89 5.078 0.274 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 89 3.135 -1.125 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.074 -2.519 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.349 -0.805 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.108 -1.521 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.629 -3.147 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.604 -2.173 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.852 -1.890 -4.671 1.00 0.00 H new ATOM 1348 N ALA A 90 5.601 1.676 -7.092 1.00 0.00 N ATOM 1349 CA ALA A 90 5.901 2.635 -8.148 1.00 0.00 C ATOM 1350 C ALA A 90 6.105 1.931 -9.486 1.00 0.00 C ATOM 1351 O ALA A 90 6.631 0.819 -9.539 1.00 0.00 O ATOM 1352 CB ALA A 90 7.133 3.451 -7.786 1.00 0.00 C ATOM 0 H ALA A 90 6.417 1.351 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 90 5.049 3.308 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.345 4.163 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.952 3.991 -6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.986 2.785 -7.658 1.00 0.00 H new ATOM 1358 N TYR A 91 5.686 2.585 -10.563 1.00 0.00 N ATOM 1359 CA TYR A 91 5.821 2.021 -11.901 1.00 0.00 C ATOM 1360 C TYR A 91 6.464 3.023 -12.853 1.00 0.00 C ATOM 1361 O TYR A 91 6.201 4.223 -12.780 1.00 0.00 O ATOM 1362 CB TYR A 91 4.453 1.596 -12.437 1.00 0.00 C ATOM 1363 CG TYR A 91 4.040 0.206 -12.009 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.352 -0.001 -10.820 1.00 0.00 C ATOM 1365 CD2 TYR A 91 4.336 -0.901 -12.796 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.974 -1.270 -10.425 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.960 -2.173 -12.409 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.279 -2.352 -11.223 1.00 0.00 C ATOM 1369 OH TYR A 91 2.903 -3.617 -10.834 1.00 0.00 O ATOM 0 H TYR A 91 5.250 3.507 -10.536 1.00 0.00 H new ATOM 0 HA TYR A 91 6.467 1.145 -11.835 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.702 2.310 -12.098 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.468 1.642 -13.526 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.108 0.844 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.869 -0.765 -13.725 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.442 -1.413 -9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.198 -3.023 -13.032 1.00 0.00 H new ATOM 0 HH TYR A 91 3.193 -4.266 -11.508 1.00 0.00 H new ATOM 1379 N ASN A 92 7.308 2.521 -13.749 1.00 0.00 N ATOM 1380 CA ASN A 92 7.990 3.372 -14.717 1.00 0.00 C ATOM 1381 C ASN A 92 8.227 2.625 -16.026 1.00 0.00 C ATOM 1382 O ASN A 92 8.288 1.395 -16.050 1.00 0.00 O ATOM 1383 CB ASN A 92 9.323 3.862 -14.148 1.00 0.00 C ATOM 1384 CG ASN A 92 9.195 5.199 -13.445 1.00 0.00 C ATOM 1385 OD1 ASN A 92 8.379 6.038 -13.827 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.003 5.404 -12.411 1.00 0.00 N ATOM 0 H ASN A 92 7.536 1.530 -13.825 1.00 0.00 H new ATOM 0 HA ASN A 92 7.352 4.232 -14.920 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.710 3.122 -13.448 1.00 0.00 H new ATOM 0 HB3 ASN A 92 10.050 3.947 -14.955 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.962 6.285 -11.899 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.664 4.680 -12.129 1.00 0.00 H new ATOM 1393 N LYS A 93 8.362 3.375 -17.114 1.00 0.00 N ATOM 1394 CA LYS A 93 8.594 2.786 -18.427 1.00 0.00 C ATOM 1395 C LYS A 93 9.534 1.589 -18.327 1.00 0.00 C ATOM 1396 O LYS A 93 9.365 0.594 -19.033 1.00 0.00 O ATOM 1397 CB LYS A 93 9.180 3.830 -19.381 1.00 0.00 C ATOM 1398 CG LYS A 93 10.561 4.317 -18.976 1.00 0.00 C ATOM 1399 CD LYS A 93 10.890 5.655 -19.615 1.00 0.00 C ATOM 1400 CE LYS A 93 10.360 6.814 -18.786 1.00 0.00 C ATOM 1401 NZ LYS A 93 8.977 7.196 -19.184 1.00 0.00 N ATOM 0 H LYS A 93 8.315 4.394 -17.112 1.00 0.00 H new ATOM 0 HA LYS A 93 7.636 2.443 -18.818 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.233 3.405 -20.383 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.504 4.683 -19.432 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.612 4.409 -17.891 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.308 3.579 -19.269 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.970 5.750 -19.727 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.461 5.696 -20.616 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.371 6.540 -17.731 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.021 7.673 -18.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.856 8.223 -19.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.815 6.930 -20.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.292 6.702 -18.577 1.00 0.00 H new ATOM 1415 N HIS A 94 10.523 1.690 -17.446 1.00 0.00 N ATOM 1416 CA HIS A 94 11.489 0.614 -17.252 1.00 0.00 C ATOM 1417 C HIS A 94 10.830 -0.595 -16.595 1.00 0.00 C ATOM 1418 O HIS A 94 10.765 -1.674 -17.181 1.00 0.00 O ATOM 1419 CB HIS A 94 12.660 1.099 -16.397 1.00 0.00 C ATOM 1420 CG HIS A 94 13.103 2.492 -16.723 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.775 2.817 -17.882 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.964 3.649 -16.034 1.00 0.00 C ATOM 1423 CE1 HIS A 94 14.032 4.112 -17.891 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.550 4.641 -16.781 1.00 0.00 N ATOM 0 H HIS A 94 10.677 2.506 -16.854 1.00 0.00 H new ATOM 0 HA HIS A 94 11.864 0.314 -18.231 1.00 0.00 H new ATOM 0 HB2 HIS A 94 12.375 1.054 -15.346 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.501 0.419 -16.529 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.482 3.769 -15.075 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.549 4.648 -18.673 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.604 5.626 -16.521 1.00 0.00 H new ATOM 1433 N GLY A 95 10.342 -0.406 -15.372 1.00 0.00 N ATOM 1434 CA GLY A 95 9.696 -1.489 -14.655 1.00 0.00 C ATOM 1435 C GLY A 95 9.334 -1.109 -13.233 1.00 0.00 C ATOM 1436 O GLY A 95 9.749 -0.069 -12.721 1.00 0.00 O ATOM 0 H GLY A 95 10.383 0.478 -14.866 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.794 -1.787 -15.189 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.357 -2.355 -14.639 1.00 0.00 H new ATOM 1440 N PRO A 96 8.540 -1.965 -12.572 1.00 0.00 N ATOM 1441 CA PRO A 96 8.104 -1.734 -11.192 1.00 0.00 C ATOM 1442 C PRO A 96 9.248 -1.868 -10.192 1.00 0.00 C ATOM 1443 O PRO A 96 9.778 -2.959 -9.983 1.00 0.00 O ATOM 1444 CB PRO A 96 7.061 -2.830 -10.961 1.00 0.00 C ATOM 1445 CG PRO A 96 7.432 -3.913 -11.914 1.00 0.00 C ATOM 1446 CD PRO A 96 8.008 -3.224 -13.120 1.00 0.00 C ATOM 0 HA PRO A 96 7.720 -0.724 -11.050 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.082 -3.185 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.052 -2.463 -11.152 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.159 -4.593 -11.469 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.561 -4.510 -12.184 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.791 -3.821 -13.588 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.248 -3.042 -13.880 1.00 0.00 H new ATOM 1454 N GLY A 97 9.623 -0.752 -9.575 1.00 0.00 N ATOM 1455 CA GLY A 97 10.702 -0.768 -8.604 1.00 0.00 C ATOM 1456 C GLY A 97 10.294 -1.414 -7.295 1.00 0.00 C ATOM 1457 O GLY A 97 9.353 -2.207 -7.252 1.00 0.00 O ATOM 0 H GLY A 97 9.199 0.163 -9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.554 -1.305 -9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.031 0.254 -8.414 1.00 0.00 H new ATOM 1461 N VAL A 98 11.004 -1.075 -6.223 1.00 0.00 N ATOM 1462 CA VAL A 98 10.711 -1.628 -4.906 1.00 0.00 C ATOM 1463 C VAL A 98 9.276 -1.326 -4.490 1.00 0.00 C ATOM 1464 O VAL A 98 8.499 -0.767 -5.264 1.00 0.00 O ATOM 1465 CB VAL A 98 11.671 -1.073 -3.838 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.089 -1.566 -4.086 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.623 0.448 -3.818 1.00 0.00 C ATOM 0 H VAL A 98 11.786 -0.420 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 98 10.846 -2.707 -4.979 1.00 0.00 H new ATOM 0 HB VAL A 98 11.351 -1.437 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.753 -1.163 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.108 -2.655 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.423 -1.233 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.307 0.824 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.917 0.834 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.610 0.777 -3.588 1.00 0.00 H new ATOM 1477 N SER A 99 8.930 -1.700 -3.262 1.00 0.00 N ATOM 1478 CA SER A 99 7.587 -1.472 -2.744 1.00 0.00 C ATOM 1479 C SER A 99 7.637 -1.005 -1.292 1.00 0.00 C ATOM 1480 O SER A 99 8.509 -1.415 -0.525 1.00 0.00 O ATOM 1481 CB SER A 99 6.752 -2.750 -2.852 1.00 0.00 C ATOM 1482 OG SER A 99 5.448 -2.552 -2.332 1.00 0.00 O ATOM 0 H SER A 99 9.562 -2.162 -2.608 1.00 0.00 H new ATOM 0 HA SER A 99 7.121 -0.690 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.688 -3.059 -3.895 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.245 -3.557 -2.310 1.00 0.00 H new ATOM 0 HG SER A 99 4.934 -3.382 -2.414 1.00 0.00 H new ATOM 1488 N THR A 100 6.694 -0.144 -0.921 1.00 0.00 N ATOM 1489 CA THR A 100 6.630 0.381 0.437 1.00 0.00 C ATOM 1490 C THR A 100 6.335 -0.728 1.442 1.00 0.00 C ATOM 1491 O THR A 100 5.712 -1.739 1.120 1.00 0.00 O ATOM 1492 CB THR A 100 5.554 1.475 0.566 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.286 0.969 0.135 1.00 0.00 O ATOM 1494 CG2 THR A 100 5.925 2.699 -0.258 1.00 0.00 C ATOM 0 H THR A 100 5.964 0.204 -1.543 1.00 0.00 H new ATOM 0 HA THR A 100 7.606 0.815 0.655 1.00 0.00 H new ATOM 0 HB THR A 100 5.490 1.768 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.945 0.333 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.150 3.458 -0.151 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.876 3.099 0.093 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.015 2.418 -1.307 1.00 0.00 H new ATOM 1502 N PRO A 101 6.791 -0.535 2.688 1.00 0.00 N ATOM 1503 CA PRO A 101 6.586 -1.507 3.765 1.00 0.00 C ATOM 1504 C PRO A 101 5.129 -1.586 4.206 1.00 0.00 C ATOM 1505 O PRO A 101 4.489 -0.563 4.451 1.00 0.00 O ATOM 1506 CB PRO A 101 7.460 -0.969 4.901 1.00 0.00 C ATOM 1507 CG PRO A 101 7.564 0.494 4.637 1.00 0.00 C ATOM 1508 CD PRO A 101 7.542 0.648 3.142 1.00 0.00 C ATOM 0 HA PRO A 101 6.844 -2.519 3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.010 -1.165 5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.442 -1.442 4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.736 1.033 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.483 0.902 5.058 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.053 1.574 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.549 0.669 2.725 1.00 0.00 H new ATOM 1516 N ASP A 102 4.610 -2.805 4.305 1.00 0.00 N ATOM 1517 CA ASP A 102 3.228 -3.016 4.719 1.00 0.00 C ATOM 1518 C ASP A 102 2.805 -1.979 5.755 1.00 0.00 C ATOM 1519 O ASP A 102 3.536 -1.705 6.707 1.00 0.00 O ATOM 1520 CB ASP A 102 3.053 -4.425 5.288 1.00 0.00 C ATOM 1521 CG ASP A 102 3.718 -5.483 4.429 1.00 0.00 C ATOM 1522 OD1 ASP A 102 3.470 -5.495 3.206 1.00 0.00 O ATOM 1523 OD2 ASP A 102 4.485 -6.299 4.981 1.00 0.00 O ATOM 0 H ASP A 102 5.126 -3.662 4.104 1.00 0.00 H new ATOM 0 HA ASP A 102 2.591 -2.905 3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.471 -4.462 6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.990 -4.649 5.377 1.00 0.00 H new ATOM 1528 N VAL A 103 1.622 -1.405 5.563 1.00 0.00 N ATOM 1529 CA VAL A 103 1.102 -0.399 6.480 1.00 0.00 C ATOM 1530 C VAL A 103 -0.223 -0.843 7.090 1.00 0.00 C ATOM 1531 O VAL A 103 -1.292 -0.427 6.645 1.00 0.00 O ATOM 1532 CB VAL A 103 0.902 0.955 5.774 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.153 1.923 6.677 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.241 1.537 5.348 1.00 0.00 C ATOM 0 H VAL A 103 1.005 -1.620 4.780 1.00 0.00 H new ATOM 0 HA VAL A 103 1.841 -0.281 7.272 1.00 0.00 H new ATOM 0 HB VAL A 103 0.302 0.793 4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.021 2.874 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.823 1.507 6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.724 2.083 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.080 2.494 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.869 1.686 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.735 0.850 4.661 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.144 -1.690 8.111 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.337 -2.188 8.784 1.00 0.00 C ATOM 1546 C ALA A 104 -1.958 -1.113 9.669 1.00 0.00 C ATOM 1547 O ALA A 104 -1.252 -0.387 10.370 1.00 0.00 O ATOM 1548 CB ALA A 104 -1.001 -3.423 9.607 1.00 0.00 C ATOM 0 H ALA A 104 0.734 -2.046 8.490 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.067 -2.460 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.901 -3.785 10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.611 -4.202 8.952 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.250 -3.168 10.355 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.283 -1.015 9.632 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.999 -0.028 10.432 1.00 0.00 C ATOM 1556 C VAL A 105 -5.345 -0.572 10.899 1.00 0.00 C ATOM 1557 O VAL A 105 -6.004 -1.326 10.183 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.230 1.273 9.641 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.178 1.030 8.477 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.766 2.364 10.557 1.00 0.00 C ATOM 0 H VAL A 105 -3.882 -1.607 9.057 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.377 0.189 11.300 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.274 1.606 9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.329 1.961 7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.750 0.282 7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.135 0.673 8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.924 3.277 9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.712 2.041 10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.047 2.556 11.353 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.747 -0.183 12.105 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.014 -0.632 12.669 1.00 0.00 C ATOM 1572 C ARG A 106 -8.124 0.374 12.380 1.00 0.00 C ATOM 1573 O ARG A 106 -7.938 1.582 12.531 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.880 -0.840 14.179 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.934 -1.766 14.762 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.806 -1.874 16.274 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.641 -2.661 16.669 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.157 -2.686 17.906 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -6.734 -1.971 18.862 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.093 -3.427 18.188 1.00 0.00 N ATOM 0 H ARG A 106 -5.214 0.442 12.710 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.276 -1.581 12.201 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.892 -1.246 14.395 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.943 0.127 14.677 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.927 -1.396 14.505 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.837 -2.756 14.316 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.732 -0.875 16.704 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.708 -2.331 16.683 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.174 -3.222 15.957 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.552 -1.400 18.649 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.360 -1.992 19.811 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.646 -3.978 17.455 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.722 -3.446 19.138 1.00 0.00 H new ATOM 1594 N THR A 107 -9.281 -0.132 11.963 1.00 0.00 N ATOM 1595 CA THR A 107 -10.420 0.721 11.652 1.00 0.00 C ATOM 1596 C THR A 107 -11.129 1.178 12.922 1.00 0.00 C ATOM 1597 O THR A 107 -10.935 0.604 13.994 1.00 0.00 O ATOM 1598 CB THR A 107 -11.433 -0.003 10.745 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.575 -1.366 11.160 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.990 0.046 9.291 1.00 0.00 C ATOM 0 H THR A 107 -9.453 -1.129 11.833 1.00 0.00 H new ATOM 0 HA THR A 107 -10.028 1.591 11.125 1.00 0.00 H new ATOM 0 HB THR A 107 -12.393 0.505 10.833 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.271 -1.800 10.624 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.721 -0.472 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.911 1.085 8.969 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.019 -0.440 9.190 1.00 0.00 H new ATOM 1608 N LEU A 108 -11.951 2.214 12.795 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.690 2.748 13.934 1.00 0.00 C ATOM 1610 C LEU A 108 -13.721 1.741 14.434 1.00 0.00 C ATOM 1611 O LEU A 108 -14.423 1.112 13.643 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.383 4.056 13.549 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.530 5.066 12.780 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.378 6.245 12.327 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.365 5.541 13.635 1.00 0.00 C ATOM 0 H LEU A 108 -12.123 2.701 11.915 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.980 2.943 14.738 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.259 3.816 12.946 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.744 4.534 14.459 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.127 4.574 11.895 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.754 6.953 11.782 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.177 5.890 11.677 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.811 6.738 13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.769 6.259 13.072 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.747 6.016 14.539 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.743 4.689 13.908 1.00 0.00 H new ATOM 1627 N SER A 109 -13.808 1.597 15.753 1.00 0.00 N ATOM 1628 CA SER A 109 -14.752 0.666 16.359 1.00 0.00 C ATOM 1629 C SER A 109 -16.184 1.170 16.209 1.00 0.00 C ATOM 1630 O SER A 109 -16.427 2.376 16.151 1.00 0.00 O ATOM 1631 CB SER A 109 -14.423 0.465 17.840 1.00 0.00 C ATOM 1632 OG SER A 109 -14.904 1.545 18.621 1.00 0.00 O ATOM 0 H SER A 109 -13.236 2.113 16.422 1.00 0.00 H new ATOM 0 HA SER A 109 -14.665 -0.289 15.842 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.866 -0.467 18.191 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.344 0.373 17.967 1.00 0.00 H new ATOM 0 HG SER A 109 -14.683 1.391 19.563 1.00 0.00 H new