USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=29 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 40 THR OG1 : rot 88:sc= 1.3 USER MOD Set 1.2: A 51 TYR OH : rot -103:sc= 1.17 USER MOD Set 1.3: A 71 HIS : no HE2:sc= 0.275 K(o=2.7,f=0.19) USER MOD Set 2.1: A 55 TYR OH : rot 109:sc= 1.13 USER MOD Set 2.2: A 64 GLN : amide:sc= -0.916! C(o=0.22!,f=-6.2!) USER MOD Set 3.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 49 GLN : amide:sc= -0.946 K(o=-1.7,f=-4.6!) USER MOD Set 4.2: A 93 LYS NZ :NH3+ -116:sc= -0.713 (180deg=-1.2) USER MOD Set 5.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 33 SER OG : rot -147:sc= -0.252 USER MOD Set 6.3: A 76 ASN : amide:sc= 0.322 K(o=0.071,f=-3.6!) USER MOD Single : A 23 ASN : amide:sc= -1.03 K(o=-1,f=-4.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 26:sc= 0.0873 USER MOD Single : A 37 THR OG1 : rot -68:sc= 0.138 USER MOD Single : A 50 ASN : amide:sc= -1.28 K(o=-1.3,f=-1.8) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0227 USER MOD Single : A 56 MET CE :methyl 163:sc= -0.551 (180deg=-0.926) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 94:sc= 0.263 USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0451) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 34:sc= 0.535 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -140:sc= -0.487 USER MOD Single : A 84 TYR OH : rot -15:sc= 0.253 USER MOD Single : A 85 SER OG : rot -150:sc= -0.934 USER MOD Single : A 92 ASN : amide:sc= -8.99! C(o=-9!,f=-15!) USER MOD Single : A 94 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.18) USER MOD Single : A 99 SER OG : rot -120:sc= -0.145 USER MOD Single : A 100 THR OG1 : rot -82:sc= 1.95 USER MOD Single : A 107 THR OG1 : rot 172:sc= 0.405 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 14.966 2.161 -12.021 1.00 0.00 N ATOM 215 CA LEU A 17 13.618 1.998 -11.487 1.00 0.00 C ATOM 216 C LEU A 17 13.320 3.057 -10.430 1.00 0.00 C ATOM 217 O LEU A 17 14.221 3.673 -9.861 1.00 0.00 O ATOM 218 CB LEU A 17 13.452 0.601 -10.887 1.00 0.00 C ATOM 219 CG LEU A 17 12.954 -0.485 -11.842 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.494 -0.251 -13.244 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.355 -1.864 -11.337 1.00 0.00 C ATOM 0 HA LEU A 17 12.911 2.121 -12.307 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.413 0.286 -10.480 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.757 0.667 -10.050 1.00 0.00 H new ATOM 0 HG LEU A 17 11.866 -0.437 -11.881 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.129 -1.033 -13.910 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.157 0.720 -13.606 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.584 -0.272 -13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.992 -2.624 -12.029 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.441 -1.925 -11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.919 -2.032 -10.352 1.00 0.00 H new ATOM 233 N PRO A 18 12.024 3.273 -10.158 1.00 0.00 N ATOM 234 CA PRO A 18 11.577 4.255 -9.166 1.00 0.00 C ATOM 235 C PRO A 18 11.907 3.829 -7.739 1.00 0.00 C ATOM 236 O PRO A 18 12.544 2.800 -7.520 1.00 0.00 O ATOM 237 CB PRO A 18 10.061 4.303 -9.373 1.00 0.00 C ATOM 238 CG PRO A 18 9.716 2.976 -9.957 1.00 0.00 C ATOM 239 CD PRO A 18 10.897 2.575 -10.797 1.00 0.00 C ATOM 0 HA PRO A 18 12.069 5.219 -9.296 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.538 4.469 -8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.778 5.116 -10.042 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.527 2.242 -9.174 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.811 3.039 -10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.042 1.495 -10.797 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.773 2.880 -11.836 1.00 0.00 H new ATOM 247 N GLY A 19 11.467 4.628 -6.771 1.00 0.00 N ATOM 248 CA GLY A 19 11.725 4.316 -5.378 1.00 0.00 C ATOM 249 C GLY A 19 10.452 4.204 -4.563 1.00 0.00 C ATOM 250 O GLY A 19 9.347 4.403 -5.068 1.00 0.00 O ATOM 0 H GLY A 19 10.937 5.485 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.277 3.378 -5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.361 5.089 -4.948 1.00 0.00 H new ATOM 254 N PRO A 20 10.598 3.875 -3.271 1.00 0.00 N ATOM 255 CA PRO A 20 9.461 3.728 -2.358 1.00 0.00 C ATOM 256 C PRO A 20 8.792 5.062 -2.044 1.00 0.00 C ATOM 257 O PRO A 20 9.456 6.024 -1.660 1.00 0.00 O ATOM 258 CB PRO A 20 10.093 3.137 -1.096 1.00 0.00 C ATOM 259 CG PRO A 20 11.516 3.575 -1.145 1.00 0.00 C ATOM 260 CD PRO A 20 11.885 3.623 -2.602 1.00 0.00 C ATOM 0 HA PRO A 20 8.673 3.109 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.597 3.502 -0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.013 2.050 -1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.640 4.552 -0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.157 2.880 -0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.607 4.413 -2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.334 2.687 -2.934 1.00 0.00 H new ATOM 268 N ALA A 21 7.475 5.112 -2.211 1.00 0.00 N ATOM 269 CA ALA A 21 6.717 6.328 -1.944 1.00 0.00 C ATOM 270 C ALA A 21 6.903 6.785 -0.501 1.00 0.00 C ATOM 271 O ALA A 21 6.428 6.153 0.443 1.00 0.00 O ATOM 272 CB ALA A 21 5.241 6.107 -2.242 1.00 0.00 C ATOM 0 H ALA A 21 6.911 4.325 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 21 7.095 7.113 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.687 7.024 -2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.118 5.835 -3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.859 5.304 -1.611 1.00 0.00 H new ATOM 278 N PRO A 22 7.613 7.909 -0.323 1.00 0.00 N ATOM 279 CA PRO A 22 7.879 8.475 1.003 1.00 0.00 C ATOM 280 C PRO A 22 6.624 9.049 1.651 1.00 0.00 C ATOM 281 O PRO A 22 5.535 8.982 1.083 1.00 0.00 O ATOM 282 CB PRO A 22 8.890 9.589 0.717 1.00 0.00 C ATOM 283 CG PRO A 22 8.638 9.973 -0.700 1.00 0.00 C ATOM 284 CD PRO A 22 8.210 8.714 -1.401 1.00 0.00 C ATOM 0 HA PRO A 22 8.241 7.721 1.702 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.747 10.436 1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.913 9.241 0.857 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.864 10.738 -0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.536 10.388 -1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.491 8.920 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.056 8.204 -1.862 1.00 0.00 H new ATOM 292 N ASN A 23 6.784 9.613 2.844 1.00 0.00 N ATOM 293 CA ASN A 23 5.663 10.199 3.569 1.00 0.00 C ATOM 294 C ASN A 23 4.436 9.295 3.496 1.00 0.00 C ATOM 295 O ASN A 23 3.319 9.763 3.273 1.00 0.00 O ATOM 296 CB ASN A 23 5.327 11.580 3.003 1.00 0.00 C ATOM 297 CG ASN A 23 6.536 12.494 2.953 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.876 13.036 1.901 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.192 12.669 4.094 1.00 0.00 N ATOM 0 H ASN A 23 7.679 9.676 3.329 1.00 0.00 H new ATOM 0 HA ASN A 23 5.954 10.304 4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.918 11.468 1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.551 12.041 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.014 13.273 4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.874 12.200 4.942 1.00 0.00 H new ATOM 306 N LEU A 24 4.651 7.998 3.685 1.00 0.00 N ATOM 307 CA LEU A 24 3.563 7.027 3.641 1.00 0.00 C ATOM 308 C LEU A 24 2.748 7.064 4.930 1.00 0.00 C ATOM 309 O LEU A 24 3.193 6.580 5.971 1.00 0.00 O ATOM 310 CB LEU A 24 4.118 5.620 3.415 1.00 0.00 C ATOM 311 CG LEU A 24 3.088 4.534 3.102 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.412 4.809 1.768 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.744 3.161 3.097 1.00 0.00 C ATOM 0 H LEU A 24 5.569 7.594 3.870 1.00 0.00 H new ATOM 0 HA LEU A 24 2.907 7.290 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.834 5.661 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.671 5.322 4.306 1.00 0.00 H new ATOM 0 HG LEU A 24 2.326 4.547 3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.682 4.026 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.907 5.774 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.161 4.824 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.996 2.401 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.527 3.135 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.180 2.963 4.076 1.00 0.00 H new ATOM 325 N ARG A 25 1.553 7.640 4.852 1.00 0.00 N ATOM 326 CA ARG A 25 0.676 7.739 6.012 1.00 0.00 C ATOM 327 C ARG A 25 -0.749 7.329 5.652 1.00 0.00 C ATOM 328 O ARG A 25 -1.312 7.804 4.666 1.00 0.00 O ATOM 329 CB ARG A 25 0.683 9.166 6.564 1.00 0.00 C ATOM 330 CG ARG A 25 1.068 10.215 5.534 1.00 0.00 C ATOM 331 CD ARG A 25 1.482 11.520 6.196 1.00 0.00 C ATOM 332 NE ARG A 25 0.331 12.357 6.522 1.00 0.00 N ATOM 333 CZ ARG A 25 0.432 13.572 7.051 1.00 0.00 C ATOM 334 NH1 ARG A 25 1.625 14.088 7.311 1.00 0.00 N ATOM 335 NH2 ARG A 25 -0.662 14.273 7.320 1.00 0.00 N ATOM 0 H ARG A 25 1.170 8.045 3.998 1.00 0.00 H new ATOM 0 HA ARG A 25 1.050 7.059 6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.307 9.400 6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.378 9.219 7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.888 9.841 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.227 10.396 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.042 11.303 7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.152 12.067 5.532 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.602 11.989 6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.468 13.552 7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.700 15.021 7.717 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.582 13.879 7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.583 15.205 7.726 1.00 0.00 H new ATOM 349 N ALA A 26 -1.327 6.444 6.458 1.00 0.00 N ATOM 350 CA ALA A 26 -2.686 5.971 6.226 1.00 0.00 C ATOM 351 C ALA A 26 -3.548 6.144 7.472 1.00 0.00 C ATOM 352 O ALA A 26 -3.086 5.925 8.592 1.00 0.00 O ATOM 353 CB ALA A 26 -2.671 4.514 5.789 1.00 0.00 C ATOM 0 H ALA A 26 -0.875 6.040 7.278 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.122 6.573 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.693 4.174 5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.098 4.417 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.211 3.905 6.567 1.00 0.00 H new ATOM 359 N TYR A 27 -4.800 6.537 7.270 1.00 0.00 N ATOM 360 CA TYR A 27 -5.725 6.742 8.378 1.00 0.00 C ATOM 361 C TYR A 27 -7.137 6.305 7.996 1.00 0.00 C ATOM 362 O TYR A 27 -7.610 6.589 6.896 1.00 0.00 O ATOM 363 CB TYR A 27 -5.731 8.212 8.801 1.00 0.00 C ATOM 364 CG TYR A 27 -5.942 9.171 7.652 1.00 0.00 C ATOM 365 CD1 TYR A 27 -7.223 9.533 7.250 1.00 0.00 C ATOM 366 CD2 TYR A 27 -4.863 9.716 6.967 1.00 0.00 C ATOM 367 CE1 TYR A 27 -7.421 10.409 6.201 1.00 0.00 C ATOM 368 CE2 TYR A 27 -5.052 10.594 5.917 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.333 10.937 5.538 1.00 0.00 C ATOM 370 OH TYR A 27 -6.526 11.810 4.492 1.00 0.00 O ATOM 0 H TYR A 27 -5.198 6.720 6.349 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.389 6.132 9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.517 8.365 9.540 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.784 8.445 9.289 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.078 9.122 7.767 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.859 9.449 7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.423 10.679 5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.202 11.009 5.396 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.657 12.090 4.135 1.00 0.00 H new ATOM 380 N ALA A 28 -7.804 5.615 8.915 1.00 0.00 N ATOM 381 CA ALA A 28 -9.162 5.141 8.678 1.00 0.00 C ATOM 382 C ALA A 28 -10.178 6.258 8.891 1.00 0.00 C ATOM 383 O ALA A 28 -10.462 6.644 10.024 1.00 0.00 O ATOM 384 CB ALA A 28 -9.475 3.960 9.585 1.00 0.00 C ATOM 0 H ALA A 28 -7.426 5.372 9.831 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.231 4.816 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.492 3.617 9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.775 3.150 9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.382 4.267 10.627 1.00 0.00 H new ATOM 390 N ALA A 29 -10.721 6.775 7.793 1.00 0.00 N ATOM 391 CA ALA A 29 -11.707 7.847 7.861 1.00 0.00 C ATOM 392 C ALA A 29 -13.030 7.341 8.424 1.00 0.00 C ATOM 393 O ALA A 29 -13.796 8.103 9.014 1.00 0.00 O ATOM 394 CB ALA A 29 -11.916 8.458 6.483 1.00 0.00 C ATOM 0 H ALA A 29 -10.495 6.469 6.847 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.327 8.616 8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.654 9.257 6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.973 8.864 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.271 7.691 5.795 1.00 0.00 H new ATOM 400 N SER A 30 -13.294 6.052 8.238 1.00 0.00 N ATOM 401 CA SER A 30 -14.528 5.445 8.724 1.00 0.00 C ATOM 402 C SER A 30 -14.299 3.990 9.120 1.00 0.00 C ATOM 403 O SER A 30 -13.332 3.351 8.703 1.00 0.00 O ATOM 404 CB SER A 30 -15.618 5.529 7.653 1.00 0.00 C ATOM 405 OG SER A 30 -16.325 6.754 7.741 1.00 0.00 O ATOM 0 H SER A 30 -12.670 5.407 7.754 1.00 0.00 H new ATOM 0 HA SER A 30 -14.852 5.996 9.607 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.169 5.435 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.311 4.696 7.769 1.00 0.00 H new ATOM 0 HG SER A 30 -15.752 7.434 8.153 1.00 0.00 H new ATOM 411 N PRO A 31 -15.209 3.452 9.945 1.00 0.00 N ATOM 412 CA PRO A 31 -15.129 2.066 10.415 1.00 0.00 C ATOM 413 C PRO A 31 -15.399 1.059 9.302 1.00 0.00 C ATOM 414 O PRO A 31 -15.280 -0.150 9.502 1.00 0.00 O ATOM 415 CB PRO A 31 -16.225 1.990 11.482 1.00 0.00 C ATOM 416 CG PRO A 31 -17.199 3.051 11.100 1.00 0.00 C ATOM 417 CD PRO A 31 -16.387 4.154 10.480 1.00 0.00 C ATOM 0 HA PRO A 31 -14.135 1.819 10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.696 1.007 11.497 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.820 2.164 12.479 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.938 2.667 10.396 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.746 3.411 11.972 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.941 4.667 9.693 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.106 4.908 11.215 1.00 0.00 H new ATOM 425 N THR A 32 -15.762 1.565 8.128 1.00 0.00 N ATOM 426 CA THR A 32 -16.048 0.710 6.983 1.00 0.00 C ATOM 427 C THR A 32 -15.190 1.092 5.783 1.00 0.00 C ATOM 428 O THR A 32 -15.194 0.405 4.761 1.00 0.00 O ATOM 429 CB THR A 32 -17.534 0.787 6.582 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.812 2.052 5.972 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.432 0.595 7.795 1.00 0.00 C ATOM 0 H THR A 32 -15.865 2.563 7.945 1.00 0.00 H new ATOM 0 HA THR A 32 -15.812 -0.311 7.284 1.00 0.00 H new ATOM 0 HB THR A 32 -17.737 -0.012 5.869 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.758 2.092 5.719 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.476 0.653 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.239 -0.381 8.240 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.225 1.375 8.528 1.00 0.00 H new ATOM 439 N SER A 33 -14.453 2.191 5.913 1.00 0.00 N ATOM 440 CA SER A 33 -13.591 2.666 4.837 1.00 0.00 C ATOM 441 C SER A 33 -12.303 3.262 5.396 1.00 0.00 C ATOM 442 O SER A 33 -12.268 3.736 6.532 1.00 0.00 O ATOM 443 CB SER A 33 -14.324 3.708 3.991 1.00 0.00 C ATOM 444 OG SER A 33 -15.575 3.214 3.543 1.00 0.00 O ATOM 0 H SER A 33 -14.436 2.769 6.753 1.00 0.00 H new ATOM 0 HA SER A 33 -13.333 1.814 4.208 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.476 4.615 4.577 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.710 3.982 3.133 1.00 0.00 H new ATOM 0 HG SER A 33 -15.777 3.588 2.660 1.00 0.00 H new ATOM 450 N ILE A 34 -11.247 3.235 4.590 1.00 0.00 N ATOM 451 CA ILE A 34 -9.957 3.773 5.003 1.00 0.00 C ATOM 452 C ILE A 34 -9.390 4.714 3.945 1.00 0.00 C ATOM 453 O ILE A 34 -9.667 4.566 2.754 1.00 0.00 O ATOM 454 CB ILE A 34 -8.939 2.650 5.274 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.414 1.770 6.433 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.569 3.239 5.576 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.550 0.549 6.658 1.00 0.00 C ATOM 0 H ILE A 34 -11.260 2.846 3.647 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.127 4.328 5.926 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.858 2.030 4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.433 2.365 7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.438 1.450 6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.860 2.433 5.765 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.230 3.827 4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.634 3.879 6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.946 -0.028 7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.551 -0.068 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.530 0.861 6.883 1.00 0.00 H new ATOM 469 N THR A 35 -8.593 5.681 4.387 1.00 0.00 N ATOM 470 CA THR A 35 -7.985 6.646 3.479 1.00 0.00 C ATOM 471 C THR A 35 -6.464 6.548 3.511 1.00 0.00 C ATOM 472 O THR A 35 -5.816 7.087 4.407 1.00 0.00 O ATOM 473 CB THR A 35 -8.403 8.087 3.829 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.830 8.203 3.803 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.791 9.079 2.852 1.00 0.00 C ATOM 0 H THR A 35 -8.353 5.817 5.369 1.00 0.00 H new ATOM 0 HA THR A 35 -8.341 6.406 2.477 1.00 0.00 H new ATOM 0 HB THR A 35 -8.039 8.315 4.831 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.088 9.121 4.028 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.100 10.090 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.704 9.008 2.895 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.130 8.851 1.841 1.00 0.00 H new ATOM 483 N VAL A 36 -5.900 5.857 2.525 1.00 0.00 N ATOM 484 CA VAL A 36 -4.454 5.690 2.439 1.00 0.00 C ATOM 485 C VAL A 36 -3.818 6.815 1.630 1.00 0.00 C ATOM 486 O VAL A 36 -4.273 7.140 0.532 1.00 0.00 O ATOM 487 CB VAL A 36 -4.082 4.339 1.800 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.576 4.130 1.833 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.802 3.200 2.506 1.00 0.00 C ATOM 0 H VAL A 36 -6.422 5.404 1.775 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.071 5.719 3.459 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.401 4.349 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.332 3.170 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.085 4.930 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.230 4.139 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.528 2.253 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.516 3.185 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.879 3.345 2.425 1.00 0.00 H new ATOM 499 N THR A 37 -2.763 7.408 2.179 1.00 0.00 N ATOM 500 CA THR A 37 -2.064 8.498 1.509 1.00 0.00 C ATOM 501 C THR A 37 -0.575 8.198 1.377 1.00 0.00 C ATOM 502 O THR A 37 -0.020 7.416 2.149 1.00 0.00 O ATOM 503 CB THR A 37 -2.243 9.828 2.264 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.186 9.998 3.215 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.586 9.869 2.977 1.00 0.00 C ATOM 0 H THR A 37 -2.373 7.152 3.086 1.00 0.00 H new ATOM 0 HA THR A 37 -2.502 8.591 0.515 1.00 0.00 H new ATOM 0 HB THR A 37 -2.211 10.640 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.280 9.335 3.930 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.690 10.818 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.389 9.770 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.643 9.049 3.693 1.00 0.00 H new ATOM 513 N TRP A 38 0.065 8.824 0.396 1.00 0.00 N ATOM 514 CA TRP A 38 1.491 8.623 0.165 1.00 0.00 C ATOM 515 C TRP A 38 2.062 9.735 -0.709 1.00 0.00 C ATOM 516 O TRP A 38 1.317 10.483 -1.341 1.00 0.00 O ATOM 517 CB TRP A 38 1.736 7.264 -0.492 1.00 0.00 C ATOM 518 CG TRP A 38 1.052 7.113 -1.818 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.559 7.441 -3.043 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.263 6.598 -2.050 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.637 7.161 -4.023 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.489 6.642 -3.439 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.272 6.103 -1.219 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.681 6.210 -4.014 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.455 5.675 -1.790 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.652 5.730 -3.177 1.00 0.00 C ATOM 0 H TRP A 38 -0.380 9.474 -0.252 1.00 0.00 H new ATOM 0 HA TRP A 38 1.997 8.648 1.130 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.808 7.121 -0.626 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.391 6.477 0.178 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.540 7.859 -3.216 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.769 7.315 -5.023 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.129 6.056 -0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.834 6.252 -5.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.242 5.291 -1.157 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.588 5.387 -3.593 1.00 0.00 H new ATOM 537 N GLU A 39 3.387 9.836 -0.740 1.00 0.00 N ATOM 538 CA GLU A 39 4.056 10.857 -1.537 1.00 0.00 C ATOM 539 C GLU A 39 4.849 10.225 -2.677 1.00 0.00 C ATOM 540 O GLU A 39 5.097 9.018 -2.683 1.00 0.00 O ATOM 541 CB GLU A 39 4.987 11.694 -0.657 1.00 0.00 C ATOM 542 CG GLU A 39 4.290 12.853 0.036 1.00 0.00 C ATOM 543 CD GLU A 39 4.028 14.019 -0.897 1.00 0.00 C ATOM 544 OE1 GLU A 39 4.787 14.179 -1.875 1.00 0.00 O ATOM 545 OE2 GLU A 39 3.062 14.771 -0.649 1.00 0.00 O ATOM 0 H GLU A 39 4.018 9.224 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 39 3.291 11.505 -1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.438 11.049 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.800 12.084 -1.270 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.344 12.506 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.901 13.192 0.872 1.00 0.00 H new ATOM 552 N THR A 40 5.246 11.048 -3.643 1.00 0.00 N ATOM 553 CA THR A 40 6.009 10.571 -4.789 1.00 0.00 C ATOM 554 C THR A 40 7.502 10.539 -4.481 1.00 0.00 C ATOM 555 O THR A 40 8.072 11.494 -3.952 1.00 0.00 O ATOM 556 CB THR A 40 5.771 11.453 -6.029 1.00 0.00 C ATOM 557 OG1 THR A 40 4.461 11.216 -6.555 1.00 0.00 O ATOM 558 CG2 THR A 40 6.813 11.172 -7.101 1.00 0.00 C ATOM 0 H THR A 40 5.051 12.049 -3.654 1.00 0.00 H new ATOM 0 HA THR A 40 5.663 9.559 -5.000 1.00 0.00 H new ATOM 0 HB THR A 40 5.857 12.497 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.819 11.812 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.624 11.807 -7.967 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.807 11.383 -6.706 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.755 10.125 -7.399 1.00 0.00 H new ATOM 566 N PRO A 41 8.153 9.416 -4.819 1.00 0.00 N ATOM 567 CA PRO A 41 9.589 9.234 -4.589 1.00 0.00 C ATOM 568 C PRO A 41 10.438 10.116 -5.497 1.00 0.00 C ATOM 569 O PRO A 41 10.366 10.016 -6.722 1.00 0.00 O ATOM 570 CB PRO A 41 9.815 7.756 -4.916 1.00 0.00 C ATOM 571 CG PRO A 41 8.720 7.405 -5.862 1.00 0.00 C ATOM 572 CD PRO A 41 7.537 8.239 -5.454 1.00 0.00 C ATOM 0 HA PRO A 41 9.878 9.510 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.794 7.596 -5.367 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.774 7.141 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.010 7.617 -6.891 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.485 6.342 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.927 8.519 -6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.887 7.703 -4.762 1.00 0.00 H new ATOM 580 N VAL A 42 11.244 10.981 -4.889 1.00 0.00 N ATOM 581 CA VAL A 42 12.109 11.881 -5.643 1.00 0.00 C ATOM 582 C VAL A 42 13.342 11.151 -6.161 1.00 0.00 C ATOM 583 O VAL A 42 13.957 11.569 -7.143 1.00 0.00 O ATOM 584 CB VAL A 42 12.558 13.079 -4.784 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.369 13.691 -4.058 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.634 12.652 -3.797 1.00 0.00 C ATOM 0 H VAL A 42 11.316 11.077 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 42 11.526 12.248 -6.488 1.00 0.00 H new ATOM 0 HB VAL A 42 12.981 13.838 -5.442 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.705 14.535 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.635 14.034 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.914 12.942 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.940 13.510 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.240 11.875 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.495 12.265 -4.342 1.00 0.00 H new ATOM 650 N ILE A 48 6.782 9.027 -12.215 1.00 0.00 N ATOM 651 CA ILE A 48 6.077 7.751 -12.184 1.00 0.00 C ATOM 652 C ILE A 48 4.846 7.782 -13.083 1.00 0.00 C ATOM 653 O ILE A 48 4.103 8.763 -13.101 1.00 0.00 O ATOM 654 CB ILE A 48 5.645 7.382 -10.753 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.812 7.563 -9.781 1.00 0.00 C ATOM 656 CG2 ILE A 48 5.129 5.951 -10.708 1.00 0.00 C ATOM 657 CD1 ILE A 48 8.019 6.716 -10.120 1.00 0.00 C ATOM 0 HA ILE A 48 6.773 6.996 -12.551 1.00 0.00 H new ATOM 0 HB ILE A 48 4.838 8.049 -10.450 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.106 8.612 -9.771 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.477 7.316 -8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.827 5.705 -9.690 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.272 5.852 -11.374 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.918 5.270 -11.028 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.807 6.896 -9.389 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.741 5.662 -10.102 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.380 6.979 -11.114 1.00 0.00 H new ATOM 669 N GLN A 49 4.636 6.701 -13.827 1.00 0.00 N ATOM 670 CA GLN A 49 3.494 6.604 -14.728 1.00 0.00 C ATOM 671 C GLN A 49 2.201 6.395 -13.947 1.00 0.00 C ATOM 672 O GLN A 49 1.276 7.202 -14.032 1.00 0.00 O ATOM 673 CB GLN A 49 3.695 5.456 -15.719 1.00 0.00 C ATOM 674 CG GLN A 49 4.963 5.583 -16.548 1.00 0.00 C ATOM 675 CD GLN A 49 4.863 6.662 -17.607 1.00 0.00 C ATOM 676 OE1 GLN A 49 4.067 7.594 -17.487 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.671 6.542 -18.654 1.00 0.00 N ATOM 0 H GLN A 49 5.242 5.880 -13.824 1.00 0.00 H new ATOM 0 HA GLN A 49 3.418 7.541 -15.279 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.722 4.514 -15.171 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.836 5.410 -16.389 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.803 5.803 -15.889 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.176 4.628 -17.027 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.315 5.754 -18.713 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.647 7.238 -19.399 1.00 0.00 H new ATOM 686 N ASN A 50 2.143 5.307 -13.186 1.00 0.00 N ATOM 687 CA ASN A 50 0.963 4.993 -12.390 1.00 0.00 C ATOM 688 C ASN A 50 1.358 4.518 -10.995 1.00 0.00 C ATOM 689 O ASN A 50 2.532 4.267 -10.722 1.00 0.00 O ATOM 690 CB ASN A 50 0.123 3.920 -13.087 1.00 0.00 C ATOM 691 CG ASN A 50 -1.251 3.765 -12.463 1.00 0.00 C ATOM 692 OD1 ASN A 50 -1.901 4.751 -12.114 1.00 0.00 O ATOM 693 ND2 ASN A 50 -1.699 2.524 -12.320 1.00 0.00 N ATOM 0 H ASN A 50 2.900 4.628 -13.104 1.00 0.00 H new ATOM 0 HA ASN A 50 0.370 5.902 -12.291 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.014 4.176 -14.141 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.648 2.966 -13.044 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.616 2.357 -11.907 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.126 1.737 -12.624 1.00 0.00 H new ATOM 700 N TYR A 51 0.369 4.395 -10.116 1.00 0.00 N ATOM 701 CA TYR A 51 0.613 3.951 -8.748 1.00 0.00 C ATOM 702 C TYR A 51 -0.272 2.760 -8.396 1.00 0.00 C ATOM 703 O TYR A 51 -1.476 2.769 -8.650 1.00 0.00 O ATOM 704 CB TYR A 51 0.361 5.097 -7.766 1.00 0.00 C ATOM 705 CG TYR A 51 1.454 6.141 -7.760 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.721 5.846 -7.272 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.220 7.423 -8.243 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.723 6.798 -7.264 1.00 0.00 C ATOM 709 CE2 TYR A 51 2.217 8.380 -8.240 1.00 0.00 C ATOM 710 CZ TYR A 51 3.466 8.063 -7.749 1.00 0.00 C ATOM 711 OH TYR A 51 4.461 9.014 -7.744 1.00 0.00 O ATOM 0 H TYR A 51 -0.609 4.596 -10.326 1.00 0.00 H new ATOM 0 HA TYR A 51 1.655 3.640 -8.674 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.586 5.576 -8.015 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.256 4.687 -6.761 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.926 4.856 -6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.243 7.676 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.702 6.552 -6.880 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.019 9.371 -8.620 1.00 0.00 H new ATOM 0 HH TYR A 51 4.308 9.644 -7.009 1.00 0.00 H new ATOM 721 N LYS A 52 0.335 1.735 -7.807 1.00 0.00 N ATOM 722 CA LYS A 52 -0.396 0.535 -7.417 1.00 0.00 C ATOM 723 C LYS A 52 -0.528 0.448 -5.899 1.00 0.00 C ATOM 724 O LYS A 52 0.465 0.529 -5.174 1.00 0.00 O ATOM 725 CB LYS A 52 0.310 -0.714 -7.950 1.00 0.00 C ATOM 726 CG LYS A 52 -0.629 -1.877 -8.216 1.00 0.00 C ATOM 727 CD LYS A 52 -0.021 -2.875 -9.187 1.00 0.00 C ATOM 728 CE LYS A 52 -1.094 -3.619 -9.968 1.00 0.00 C ATOM 729 NZ LYS A 52 -0.588 -4.909 -10.513 1.00 0.00 N ATOM 0 H LYS A 52 1.331 1.711 -7.589 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.395 0.592 -7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.831 -0.460 -8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.068 -1.027 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.863 -2.378 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.569 -1.501 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.639 -2.354 -9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.593 -3.590 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.949 -3.809 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.448 -2.992 -10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.348 -5.386 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.212 -4.726 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.274 -5.517 -9.730 1.00 0.00 H new ATOM 743 N LEU A 53 -1.757 0.282 -5.425 1.00 0.00 N ATOM 744 CA LEU A 53 -2.019 0.182 -3.994 1.00 0.00 C ATOM 745 C LEU A 53 -2.639 -1.167 -3.646 1.00 0.00 C ATOM 746 O LEU A 53 -3.556 -1.633 -4.322 1.00 0.00 O ATOM 747 CB LEU A 53 -2.946 1.313 -3.544 1.00 0.00 C ATOM 748 CG LEU A 53 -3.481 1.215 -2.116 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.339 1.266 -1.113 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.482 2.328 -1.843 1.00 0.00 C ATOM 0 H LEU A 53 -2.589 0.214 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.068 0.270 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.410 2.257 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.795 1.353 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.992 0.259 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.739 1.195 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.659 0.433 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.799 2.206 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.852 2.242 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.995 3.295 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.317 2.246 -2.539 1.00 0.00 H new ATOM 762 N TYR A 54 -2.133 -1.789 -2.587 1.00 0.00 N ATOM 763 CA TYR A 54 -2.637 -3.086 -2.149 1.00 0.00 C ATOM 764 C TYR A 54 -3.371 -2.963 -0.817 1.00 0.00 C ATOM 765 O TYR A 54 -3.201 -1.985 -0.089 1.00 0.00 O ATOM 766 CB TYR A 54 -1.487 -4.086 -2.020 1.00 0.00 C ATOM 767 CG TYR A 54 -0.854 -4.454 -3.343 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.117 -3.524 -4.066 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.991 -5.733 -3.868 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.462 -3.856 -5.275 1.00 0.00 C ATOM 771 CE2 TYR A 54 -0.413 -6.075 -5.076 1.00 0.00 C ATOM 772 CZ TYR A 54 0.312 -5.133 -5.776 1.00 0.00 C ATOM 773 OH TYR A 54 0.889 -5.468 -6.979 1.00 0.00 O ATOM 0 H TYR A 54 -1.374 -1.416 -2.016 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.341 -3.447 -2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.723 -3.666 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.856 -4.992 -1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.005 -2.524 -3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.559 -6.473 -3.323 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.029 -3.120 -5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.528 -7.074 -5.470 1.00 0.00 H new ATOM 0 HH TYR A 54 0.689 -6.404 -7.188 1.00 0.00 H new ATOM 783 N TYR A 55 -4.188 -3.964 -0.506 1.00 0.00 N ATOM 784 CA TYR A 55 -4.950 -3.969 0.737 1.00 0.00 C ATOM 785 C TYR A 55 -5.392 -5.383 1.099 1.00 0.00 C ATOM 786 O TYR A 55 -6.009 -6.079 0.292 1.00 0.00 O ATOM 787 CB TYR A 55 -6.172 -3.056 0.614 1.00 0.00 C ATOM 788 CG TYR A 55 -7.238 -3.593 -0.314 1.00 0.00 C ATOM 789 CD1 TYR A 55 -7.093 -3.507 -1.693 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.390 -4.185 0.188 1.00 0.00 C ATOM 791 CE1 TYR A 55 -8.064 -3.995 -2.546 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.366 -4.678 -0.657 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.199 -4.580 -2.023 1.00 0.00 C ATOM 794 OH TYR A 55 -10.169 -5.068 -2.867 1.00 0.00 O ATOM 0 H TYR A 55 -4.339 -4.781 -1.097 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.304 -3.595 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.605 -2.907 1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.850 -2.078 0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.205 -3.051 -2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.525 -4.261 1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.936 -3.919 -3.616 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.255 -5.138 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.164 -6.048 -2.839 1.00 0.00 H new ATOM 804 N MET A 56 -5.073 -5.802 2.319 1.00 0.00 N ATOM 805 CA MET A 56 -5.439 -7.133 2.790 1.00 0.00 C ATOM 806 C MET A 56 -5.642 -7.138 4.302 1.00 0.00 C ATOM 807 O MET A 56 -5.170 -6.244 5.003 1.00 0.00 O ATOM 808 CB MET A 56 -4.360 -8.148 2.405 1.00 0.00 C ATOM 809 CG MET A 56 -3.274 -8.307 3.456 1.00 0.00 C ATOM 810 SD MET A 56 -1.856 -9.243 2.852 1.00 0.00 S ATOM 811 CE MET A 56 -1.665 -10.451 4.161 1.00 0.00 C ATOM 0 H MET A 56 -4.562 -5.239 2.999 1.00 0.00 H new ATOM 0 HA MET A 56 -6.379 -7.414 2.314 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.829 -9.116 2.230 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.902 -7.841 1.465 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.942 -7.321 3.782 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.690 -8.808 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.045 -11.275 3.808 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.190 -9.982 5.022 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.644 -10.832 4.450 1.00 0.00 H new ATOM 821 N GLU A 57 -6.347 -8.151 4.797 1.00 0.00 N ATOM 822 CA GLU A 57 -6.612 -8.270 6.226 1.00 0.00 C ATOM 823 C GLU A 57 -5.487 -9.025 6.927 1.00 0.00 C ATOM 824 O GLU A 57 -5.042 -10.075 6.461 1.00 0.00 O ATOM 825 CB GLU A 57 -7.945 -8.984 6.461 1.00 0.00 C ATOM 826 CG GLU A 57 -8.250 -9.233 7.929 1.00 0.00 C ATOM 827 CD GLU A 57 -9.272 -10.335 8.133 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.180 -10.465 7.286 1.00 0.00 O ATOM 829 OE2 GLU A 57 -9.164 -11.066 9.140 1.00 0.00 O ATOM 0 H GLU A 57 -6.744 -8.900 4.230 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.667 -7.265 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.748 -8.388 6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.935 -9.938 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.329 -9.496 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.619 -8.312 8.381 1.00 0.00 H new ATOM 836 N LYS A 58 -5.029 -8.483 8.050 1.00 0.00 N ATOM 837 CA LYS A 58 -3.956 -9.104 8.818 1.00 0.00 C ATOM 838 C LYS A 58 -4.311 -10.541 9.185 1.00 0.00 C ATOM 839 O LYS A 58 -5.042 -10.785 10.143 1.00 0.00 O ATOM 840 CB LYS A 58 -3.677 -8.297 10.088 1.00 0.00 C ATOM 841 CG LYS A 58 -2.233 -8.375 10.553 1.00 0.00 C ATOM 842 CD LYS A 58 -1.344 -7.421 9.774 1.00 0.00 C ATOM 843 CE LYS A 58 0.117 -7.841 9.840 1.00 0.00 C ATOM 844 NZ LYS A 58 0.865 -7.442 8.616 1.00 0.00 N ATOM 0 H LYS A 58 -5.384 -7.614 8.449 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.060 -9.116 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.937 -7.254 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.327 -8.655 10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.179 -8.138 11.616 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.866 -9.395 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.668 -7.388 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.452 -6.413 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.585 -7.390 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.179 -8.922 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.856 -7.746 8.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.434 -7.892 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.828 -6.408 8.508 1.00 0.00 H new ATOM 858 N GLY A 59 -3.786 -11.491 8.416 1.00 0.00 N ATOM 859 CA GLY A 59 -4.057 -12.892 8.677 1.00 0.00 C ATOM 860 C GLY A 59 -4.786 -13.565 7.531 1.00 0.00 C ATOM 861 O GLY A 59 -5.558 -14.501 7.740 1.00 0.00 O ATOM 0 H GLY A 59 -3.178 -11.314 7.617 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.117 -13.412 8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.654 -12.980 9.585 1.00 0.00 H new ATOM 865 N THR A 60 -4.543 -13.086 6.315 1.00 0.00 N ATOM 866 CA THR A 60 -5.185 -13.645 5.131 1.00 0.00 C ATOM 867 C THR A 60 -4.152 -14.203 4.158 1.00 0.00 C ATOM 868 O THR A 60 -4.419 -15.166 3.440 1.00 0.00 O ATOM 869 CB THR A 60 -6.040 -12.590 4.405 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.559 -11.646 5.348 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.188 -13.248 3.654 1.00 0.00 C ATOM 0 H THR A 60 -3.906 -12.312 6.124 1.00 0.00 H new ATOM 0 HA THR A 60 -5.832 -14.453 5.473 1.00 0.00 H new ATOM 0 HB THR A 60 -5.405 -12.072 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.961 -10.872 5.399 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.778 -12.483 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.789 -13.944 2.916 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.821 -13.789 4.358 1.00 0.00 H new ATOM 879 N ASP A 61 -2.972 -13.592 4.141 1.00 0.00 N ATOM 880 CA ASP A 61 -1.898 -14.030 3.257 1.00 0.00 C ATOM 881 C ASP A 61 -2.299 -13.868 1.794 1.00 0.00 C ATOM 882 O ASP A 61 -1.787 -14.566 0.918 1.00 0.00 O ATOM 883 CB ASP A 61 -1.537 -15.488 3.541 1.00 0.00 C ATOM 884 CG ASP A 61 -1.020 -15.692 4.952 1.00 0.00 C ATOM 885 OD1 ASP A 61 -1.564 -15.058 5.881 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.073 -16.486 5.128 1.00 0.00 O ATOM 0 H ASP A 61 -2.735 -12.793 4.729 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.026 -13.405 3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.416 -16.114 3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.781 -15.817 2.829 1.00 0.00 H new ATOM 891 N LYS A 62 -3.218 -12.944 1.536 1.00 0.00 N ATOM 892 CA LYS A 62 -3.689 -12.690 0.179 1.00 0.00 C ATOM 893 C LYS A 62 -4.108 -11.233 0.013 1.00 0.00 C ATOM 894 O LYS A 62 -5.166 -10.824 0.490 1.00 0.00 O ATOM 895 CB LYS A 62 -4.864 -13.611 -0.156 1.00 0.00 C ATOM 896 CG LYS A 62 -5.534 -13.285 -1.479 1.00 0.00 C ATOM 897 CD LYS A 62 -4.881 -14.026 -2.633 1.00 0.00 C ATOM 898 CE LYS A 62 -5.434 -15.435 -2.776 1.00 0.00 C ATOM 899 NZ LYS A 62 -6.790 -15.439 -3.392 1.00 0.00 N ATOM 0 H LYS A 62 -3.652 -12.358 2.249 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.868 -12.894 -0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.511 -14.642 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.604 -13.547 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.590 -13.549 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.482 -12.211 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.044 -13.475 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.804 -14.071 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.756 -16.031 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.479 -15.909 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.068 -16.417 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.475 -15.025 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.775 -14.878 -4.267 1.00 0.00 H new ATOM 913 N GLU A 63 -3.272 -10.455 -0.667 1.00 0.00 N ATOM 914 CA GLU A 63 -3.557 -9.044 -0.896 1.00 0.00 C ATOM 915 C GLU A 63 -4.007 -8.806 -2.335 1.00 0.00 C ATOM 916 O GLU A 63 -3.714 -9.602 -3.226 1.00 0.00 O ATOM 917 CB GLU A 63 -2.322 -8.194 -0.589 1.00 0.00 C ATOM 918 CG GLU A 63 -1.238 -8.291 -1.649 1.00 0.00 C ATOM 919 CD GLU A 63 -0.302 -9.462 -1.422 1.00 0.00 C ATOM 920 OE1 GLU A 63 -0.068 -9.816 -0.247 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.195 -10.026 -2.419 1.00 0.00 O ATOM 0 H GLU A 63 -2.392 -10.778 -1.069 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.366 -8.751 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.625 -7.152 -0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.908 -8.503 0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.703 -8.387 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.661 -7.366 -1.659 1.00 0.00 H new ATOM 928 N GLN A 64 -4.720 -7.705 -2.552 1.00 0.00 N ATOM 929 CA GLN A 64 -5.211 -7.364 -3.881 1.00 0.00 C ATOM 930 C GLN A 64 -4.513 -6.118 -4.416 1.00 0.00 C ATOM 931 O GLN A 64 -3.625 -5.565 -3.767 1.00 0.00 O ATOM 932 CB GLN A 64 -6.724 -7.140 -3.847 1.00 0.00 C ATOM 933 CG GLN A 64 -7.526 -8.423 -3.710 1.00 0.00 C ATOM 934 CD GLN A 64 -8.874 -8.202 -3.051 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.033 -7.305 -2.223 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.853 -9.021 -3.415 1.00 0.00 N ATOM 0 H GLN A 64 -4.970 -7.035 -1.825 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.989 -8.197 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.966 -6.479 -3.015 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.028 -6.627 -4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.676 -8.860 -4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.954 -9.144 -3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.677 -9.751 -4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.781 -8.920 -3.005 1.00 0.00 H new ATOM 945 N ASP A 65 -4.919 -5.681 -5.603 1.00 0.00 N ATOM 946 CA ASP A 65 -4.333 -4.500 -6.225 1.00 0.00 C ATOM 947 C ASP A 65 -5.410 -3.635 -6.872 1.00 0.00 C ATOM 948 O ASP A 65 -6.245 -4.128 -7.631 1.00 0.00 O ATOM 949 CB ASP A 65 -3.295 -4.910 -7.271 1.00 0.00 C ATOM 950 CG ASP A 65 -3.925 -5.266 -8.603 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.327 -4.337 -9.335 1.00 0.00 O ATOM 952 OD2 ASP A 65 -4.016 -6.472 -8.914 1.00 0.00 O ATOM 0 H ASP A 65 -5.652 -6.127 -6.154 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.842 -3.916 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.586 -4.095 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.728 -5.764 -6.901 1.00 0.00 H new ATOM 957 N VAL A 66 -5.387 -2.342 -6.565 1.00 0.00 N ATOM 958 CA VAL A 66 -6.361 -1.407 -7.116 1.00 0.00 C ATOM 959 C VAL A 66 -5.674 -0.289 -7.890 1.00 0.00 C ATOM 960 O VAL A 66 -4.778 0.379 -7.373 1.00 0.00 O ATOM 961 CB VAL A 66 -7.234 -0.788 -6.008 1.00 0.00 C ATOM 962 CG1 VAL A 66 -8.053 -1.863 -5.309 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.370 -0.032 -5.010 1.00 0.00 C ATOM 0 H VAL A 66 -4.704 -1.918 -5.937 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.997 -1.976 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.924 -0.080 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.663 -1.406 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.700 -2.356 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.383 -2.597 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.003 0.399 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.655 -0.717 -4.556 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.833 0.765 -5.524 1.00 0.00 H new ATOM 973 N ASP A 67 -6.098 -0.090 -9.133 1.00 0.00 N ATOM 974 CA ASP A 67 -5.524 0.949 -9.980 1.00 0.00 C ATOM 975 C ASP A 67 -5.960 2.334 -9.512 1.00 0.00 C ATOM 976 O ASP A 67 -7.150 2.646 -9.487 1.00 0.00 O ATOM 977 CB ASP A 67 -5.938 0.736 -11.437 1.00 0.00 C ATOM 978 CG ASP A 67 -5.014 -0.218 -12.168 1.00 0.00 C ATOM 979 OD1 ASP A 67 -3.810 -0.247 -11.839 1.00 0.00 O ATOM 980 OD2 ASP A 67 -5.495 -0.936 -13.071 1.00 0.00 O ATOM 0 H ASP A 67 -6.837 -0.635 -9.577 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.438 0.885 -9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.956 0.348 -11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.947 1.696 -11.953 1.00 0.00 H new ATOM 985 N VAL A 68 -4.987 3.160 -9.140 1.00 0.00 N ATOM 986 CA VAL A 68 -5.270 4.512 -8.672 1.00 0.00 C ATOM 987 C VAL A 68 -4.477 5.545 -9.465 1.00 0.00 C ATOM 988 O VAL A 68 -3.394 5.255 -9.973 1.00 0.00 O ATOM 989 CB VAL A 68 -4.942 4.668 -7.175 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.278 6.072 -6.698 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.687 3.625 -6.356 1.00 0.00 C ATOM 0 H VAL A 68 -3.997 2.917 -9.154 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.336 4.682 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.872 4.510 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.040 6.163 -5.638 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.695 6.798 -7.265 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.341 6.263 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.444 3.749 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.760 3.749 -6.498 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.391 2.628 -6.681 1.00 0.00 H new ATOM 1001 N SER A 69 -5.024 6.752 -9.567 1.00 0.00 N ATOM 1002 CA SER A 69 -4.369 7.829 -10.301 1.00 0.00 C ATOM 1003 C SER A 69 -3.894 8.923 -9.350 1.00 0.00 C ATOM 1004 O SER A 69 -2.838 9.523 -9.555 1.00 0.00 O ATOM 1005 CB SER A 69 -5.323 8.419 -11.341 1.00 0.00 C ATOM 1006 OG SER A 69 -6.465 8.986 -10.721 1.00 0.00 O ATOM 0 H SER A 69 -5.919 7.009 -9.151 1.00 0.00 H new ATOM 0 HA SER A 69 -3.500 7.413 -10.811 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.805 9.181 -11.923 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.633 7.641 -12.038 1.00 0.00 H new ATOM 0 HG SER A 69 -7.059 9.358 -11.406 1.00 0.00 H new ATOM 1012 N SER A 70 -4.681 9.178 -8.310 1.00 0.00 N ATOM 1013 CA SER A 70 -4.344 10.203 -7.329 1.00 0.00 C ATOM 1014 C SER A 70 -3.358 9.664 -6.297 1.00 0.00 C ATOM 1015 O SER A 70 -3.042 8.474 -6.286 1.00 0.00 O ATOM 1016 CB SER A 70 -5.608 10.705 -6.630 1.00 0.00 C ATOM 1017 OG SER A 70 -6.373 11.533 -7.489 1.00 0.00 O ATOM 0 H SER A 70 -5.557 8.689 -8.125 1.00 0.00 H new ATOM 0 HA SER A 70 -3.874 11.034 -7.855 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.210 9.856 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.335 11.261 -5.733 1.00 0.00 H new ATOM 0 HG SER A 70 -7.176 11.839 -7.018 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.874 10.549 -5.431 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.924 10.163 -4.394 1.00 0.00 C ATOM 1025 C HIS A 71 -2.651 9.630 -3.163 1.00 0.00 C ATOM 1026 O HIS A 71 -2.101 8.834 -2.402 1.00 0.00 O ATOM 1027 CB HIS A 71 -1.048 11.355 -4.007 1.00 0.00 C ATOM 1028 CG HIS A 71 -0.072 11.752 -5.072 1.00 0.00 C ATOM 1029 ND1 HIS A 71 -0.239 12.865 -5.868 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.088 11.178 -5.468 1.00 0.00 C ATOM 1031 CE1 HIS A 71 0.775 12.957 -6.710 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.595 11.946 -6.488 1.00 0.00 N ATOM 0 H HIS A 71 -3.124 11.538 -5.427 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.291 9.370 -4.792 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.688 12.206 -3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.501 11.113 -3.096 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -1.023 13.516 -5.815 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.532 10.283 -5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.910 13.728 -7.454 1.00 0.00 H new ATOM 1041 N SER A 72 -3.889 10.075 -2.974 1.00 0.00 N ATOM 1042 CA SER A 72 -4.689 9.646 -1.832 1.00 0.00 C ATOM 1043 C SER A 72 -5.943 8.911 -2.294 1.00 0.00 C ATOM 1044 O SER A 72 -6.798 9.483 -2.972 1.00 0.00 O ATOM 1045 CB SER A 72 -5.077 10.850 -0.973 1.00 0.00 C ATOM 1046 OG SER A 72 -5.841 11.783 -1.718 1.00 0.00 O ATOM 0 H SER A 72 -4.360 10.732 -3.596 1.00 0.00 H new ATOM 0 HA SER A 72 -4.087 8.962 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.650 10.514 -0.108 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.178 11.334 -0.592 1.00 0.00 H new ATOM 0 HG SER A 72 -6.396 11.305 -2.369 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.047 7.639 -1.923 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.195 6.824 -2.300 1.00 0.00 C ATOM 1054 C TYR A 73 -8.050 6.490 -1.081 1.00 0.00 C ATOM 1055 O TYR A 73 -7.566 6.487 0.051 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.730 5.535 -2.980 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.865 4.682 -3.500 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.594 5.066 -4.618 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.208 3.490 -2.873 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.632 4.290 -5.096 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.243 2.706 -3.344 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.953 3.111 -4.456 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.985 2.334 -4.930 1.00 0.00 O ATOM 0 H TYR A 73 -5.350 7.151 -1.361 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.802 7.398 -3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.069 5.789 -3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.143 4.951 -2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.345 5.988 -5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.655 3.171 -2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.189 4.605 -5.966 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.495 1.782 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.080 1.538 -4.367 1.00 0.00 H new ATOM 1073 N THR A 74 -9.327 6.206 -1.322 1.00 0.00 N ATOM 1074 CA THR A 74 -10.251 5.871 -0.246 1.00 0.00 C ATOM 1075 C THR A 74 -10.901 4.513 -0.483 1.00 0.00 C ATOM 1076 O THR A 74 -11.730 4.359 -1.381 1.00 0.00 O ATOM 1077 CB THR A 74 -11.353 6.936 -0.099 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.772 8.199 0.245 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.361 6.529 0.965 1.00 0.00 C ATOM 0 H THR A 74 -9.744 6.202 -2.253 1.00 0.00 H new ATOM 0 HA THR A 74 -9.666 5.836 0.673 1.00 0.00 H new ATOM 0 HB THR A 74 -11.872 7.024 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.480 8.871 0.335 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.130 7.297 1.051 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.823 5.582 0.685 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.853 6.415 1.923 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.520 3.530 0.326 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.068 2.185 0.204 1.00 0.00 C ATOM 1089 C ILE A 75 -12.322 2.023 1.057 1.00 0.00 C ATOM 1090 O ILE A 75 -12.312 2.312 2.253 1.00 0.00 O ATOM 1091 CB ILE A 75 -10.038 1.118 0.618 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.785 1.222 -0.254 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.646 -0.273 0.516 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.558 0.596 0.372 1.00 0.00 C ATOM 0 H ILE A 75 -9.834 3.640 1.073 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.324 2.043 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.752 1.294 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.979 0.741 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.582 2.273 -0.460 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.906 -1.016 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.512 -0.341 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.957 -0.460 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.709 0.707 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.338 1.092 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.742 -0.463 0.552 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.399 1.556 0.434 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.661 1.354 1.137 1.00 0.00 C ATOM 1108 C ASN A 76 -15.059 -0.119 1.127 1.00 0.00 C ATOM 1109 O ASN A 76 -14.721 -0.858 0.203 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.766 2.197 0.497 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.290 3.588 0.126 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -14.988 4.405 0.995 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -15.221 3.863 -1.172 1.00 0.00 N ATOM 0 H ASN A 76 -13.423 1.310 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.527 1.669 2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.134 1.692 -0.396 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.606 2.275 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.907 4.783 -1.483 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.481 3.154 -1.858 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.780 -0.539 2.162 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.213 -1.921 2.253 1.00 0.00 C ATOM 1122 C GLY A 77 -15.304 -2.757 3.132 1.00 0.00 C ATOM 1123 O GLY A 77 -14.822 -3.811 2.716 1.00 0.00 O ATOM 0 H GLY A 77 -16.072 0.053 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.228 -1.955 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.246 -2.355 1.254 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.066 -2.285 4.351 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.207 -2.996 5.292 1.00 0.00 C ATOM 1129 C LEU A 78 -14.921 -3.217 6.622 1.00 0.00 C ATOM 1130 O LEU A 78 -15.904 -2.542 6.931 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.911 -2.215 5.520 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.202 -1.711 4.262 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.055 -0.783 4.632 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.697 -2.881 3.430 1.00 0.00 C ATOM 0 H LEU A 78 -15.455 -1.414 4.711 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.968 -3.969 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.134 -1.358 6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.219 -2.851 6.073 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.919 -1.149 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.562 -0.434 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.443 0.072 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.337 -1.321 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.195 -2.504 2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.995 -3.471 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.539 -3.508 3.135 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.419 -4.165 7.406 1.00 0.00 N ATOM 1147 CA LYS A 79 -15.006 -4.473 8.705 1.00 0.00 C ATOM 1148 C LYS A 79 -14.695 -3.376 9.717 1.00 0.00 C ATOM 1149 O LYS A 79 -13.923 -2.459 9.437 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.484 -5.818 9.217 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.864 -6.994 8.334 1.00 0.00 C ATOM 1152 CD LYS A 79 -13.876 -8.140 8.477 1.00 0.00 C ATOM 1153 CE LYS A 79 -14.408 -9.416 7.844 1.00 0.00 C ATOM 1154 NZ LYS A 79 -14.342 -9.367 6.357 1.00 0.00 N ATOM 0 H LYS A 79 -13.607 -4.733 7.165 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.087 -4.533 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.398 -5.770 9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.870 -5.989 10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.864 -7.339 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.901 -6.672 7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.930 -7.867 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.670 -8.315 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.832 -10.268 8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.440 -9.573 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.714 -10.255 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.912 -8.569 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.354 -9.242 6.057 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.299 -3.476 10.897 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.084 -2.495 11.953 1.00 0.00 C ATOM 1170 C LYS A 80 -14.055 -2.996 12.961 1.00 0.00 C ATOM 1171 O LYS A 80 -14.074 -4.162 13.354 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.403 -2.185 12.665 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.507 -1.728 11.729 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.365 -2.894 11.266 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.179 -2.533 10.034 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.106 -3.630 9.640 1.00 0.00 N ATOM 0 H LYS A 80 -15.942 -4.228 11.145 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.702 -1.583 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.736 -3.075 13.198 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.229 -1.411 13.413 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.133 -0.993 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.069 -1.231 10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.728 -3.750 11.044 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.036 -3.196 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.752 -1.627 10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.506 -2.312 9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.643 -3.345 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.558 -4.488 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.766 -3.824 10.420 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.159 -2.107 13.376 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.121 -2.460 14.337 1.00 0.00 C ATOM 1192 C TYR A 81 -11.258 -3.604 13.813 1.00 0.00 C ATOM 1193 O TYR A 81 -10.825 -4.471 14.573 1.00 0.00 O ATOM 1194 CB TYR A 81 -12.749 -2.853 15.676 1.00 0.00 C ATOM 1195 CG TYR A 81 -11.842 -2.617 16.863 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.158 -1.417 17.011 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.671 -3.594 17.835 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.328 -1.198 18.094 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.844 -3.383 18.922 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.174 -2.184 19.046 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.349 -1.969 20.126 1.00 0.00 O ATOM 0 H TYR A 81 -13.131 -1.137 13.062 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.485 -1.587 14.483 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.670 -2.288 15.815 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.024 -3.907 15.643 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.277 -0.643 16.268 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.193 -4.535 17.740 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.803 -0.260 18.194 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.723 -4.153 19.670 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.352 -2.761 20.703 1.00 0.00 H new ATOM 1211 N THR A 82 -11.011 -3.599 12.507 1.00 0.00 N ATOM 1212 CA THR A 82 -10.201 -4.635 11.878 1.00 0.00 C ATOM 1213 C THR A 82 -8.947 -4.043 11.245 1.00 0.00 C ATOM 1214 O THR A 82 -8.999 -2.989 10.612 1.00 0.00 O ATOM 1215 CB THR A 82 -10.997 -5.394 10.800 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.253 -5.829 11.334 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.213 -6.595 10.293 1.00 0.00 C ATOM 0 H THR A 82 -11.360 -2.889 11.864 1.00 0.00 H new ATOM 0 HA THR A 82 -9.913 -5.333 12.665 1.00 0.00 H new ATOM 0 HB THR A 82 -11.173 -4.716 9.965 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.454 -6.730 11.005 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.796 -7.115 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.271 -6.258 9.861 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.010 -7.273 11.122 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.821 -4.729 11.420 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.554 -4.270 10.864 1.00 0.00 C ATOM 1227 C GLU A 83 -6.424 -4.673 9.398 1.00 0.00 C ATOM 1228 O GLU A 83 -6.973 -5.689 8.972 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.383 -4.841 11.667 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.151 -3.952 11.662 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.212 -4.249 12.816 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.215 -5.399 13.303 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.474 -3.331 13.231 1.00 0.00 O ATOM 0 H GLU A 83 -7.761 -5.603 11.942 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.533 -3.182 10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.703 -4.999 12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.118 -5.818 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.617 -4.083 10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.461 -2.908 11.710 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.694 -3.869 8.632 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.494 -4.140 7.214 1.00 0.00 C ATOM 1242 C TYR A 84 -4.136 -3.625 6.747 1.00 0.00 C ATOM 1243 O TYR A 84 -3.755 -2.491 7.040 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.608 -3.494 6.388 1.00 0.00 C ATOM 1245 CG TYR A 84 -7.978 -4.071 6.663 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.382 -5.265 6.079 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.869 -3.422 7.510 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.633 -5.795 6.327 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.122 -3.945 7.765 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.500 -5.131 7.171 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.746 -5.657 7.422 1.00 0.00 O ATOM 0 H TYR A 84 -5.231 -3.025 8.970 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.522 -5.220 7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.626 -2.423 6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.379 -3.613 5.329 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.706 -5.788 5.419 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.577 -2.493 7.977 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.931 -6.724 5.863 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.802 -3.428 8.426 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.948 -6.350 6.759 1.00 0.00 H new ATOM 1261 N SER A 85 -3.410 -4.467 6.019 1.00 0.00 N ATOM 1262 CA SER A 85 -2.092 -4.100 5.514 1.00 0.00 C ATOM 1263 C SER A 85 -2.210 -3.302 4.218 1.00 0.00 C ATOM 1264 O SER A 85 -3.019 -3.625 3.348 1.00 0.00 O ATOM 1265 CB SER A 85 -1.245 -5.352 5.279 1.00 0.00 C ATOM 1266 OG SER A 85 0.137 -5.039 5.269 1.00 0.00 O ATOM 0 H SER A 85 -3.712 -5.408 5.766 1.00 0.00 H new ATOM 0 HA SER A 85 -1.604 -3.476 6.263 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.449 -6.085 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.524 -5.811 4.330 1.00 0.00 H new ATOM 0 HG SER A 85 0.610 -5.666 4.683 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.397 -2.258 4.097 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.409 -1.413 2.909 1.00 0.00 C ATOM 1274 C PHE A 86 0.010 -1.136 2.424 1.00 0.00 C ATOM 1275 O PHE A 86 0.908 -0.864 3.221 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.126 -0.093 3.204 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.582 -0.262 3.533 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.503 -0.542 2.536 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -4.029 -0.142 4.839 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.843 -0.697 2.836 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.368 -0.297 5.145 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.276 -0.576 4.142 1.00 0.00 C ATOM 0 H PHE A 86 -0.721 -1.977 4.807 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.946 -1.943 2.122 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.629 0.403 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.031 0.564 2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.170 -0.640 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.323 0.075 5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.551 -0.913 2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.704 -0.200 6.167 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.323 -0.699 4.379 1.00 0.00 H new ATOM 1292 N ARG A 87 0.205 -1.208 1.111 1.00 0.00 N ATOM 1293 CA ARG A 87 1.515 -0.967 0.519 1.00 0.00 C ATOM 1294 C ARG A 87 1.381 -0.278 -0.836 1.00 0.00 C ATOM 1295 O ARG A 87 0.452 -0.555 -1.596 1.00 0.00 O ATOM 1296 CB ARG A 87 2.277 -2.284 0.360 1.00 0.00 C ATOM 1297 CG ARG A 87 1.607 -3.264 -0.590 1.00 0.00 C ATOM 1298 CD ARG A 87 2.589 -4.307 -1.098 1.00 0.00 C ATOM 1299 NE ARG A 87 2.688 -5.452 -0.197 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.735 -6.269 -0.158 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.767 -6.068 -0.966 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.752 -7.289 0.690 1.00 0.00 N ATOM 0 H ARG A 87 -0.528 -1.431 0.437 1.00 0.00 H new ATOM 0 HA ARG A 87 2.073 -0.311 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.283 -2.071 -0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.382 -2.753 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.780 -3.759 -0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.182 -2.721 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.276 -4.649 -2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.573 -3.852 -1.215 1.00 0.00 H new ATOM 0 HE ARG A 87 1.910 -5.635 0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.758 -5.285 -1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.570 -6.697 -0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.960 -7.447 1.313 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.557 -7.915 0.718 1.00 0.00 H new ATOM 1316 N VAL A 88 2.314 0.621 -1.132 1.00 0.00 N ATOM 1317 CA VAL A 88 2.301 1.349 -2.395 1.00 0.00 C ATOM 1318 C VAL A 88 3.464 0.927 -3.286 1.00 0.00 C ATOM 1319 O VAL A 88 4.604 0.828 -2.832 1.00 0.00 O ATOM 1320 CB VAL A 88 2.370 2.871 -2.167 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.557 3.602 -3.487 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.120 3.359 -1.451 1.00 0.00 C ATOM 0 H VAL A 88 3.089 0.863 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 88 1.361 1.105 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 88 3.232 3.087 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.603 4.676 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.484 3.273 -3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.718 3.382 -4.147 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.185 4.436 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.242 3.131 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.035 2.860 -0.486 1.00 0.00 H new ATOM 1332 N VAL A 89 3.168 0.678 -4.558 1.00 0.00 N ATOM 1333 CA VAL A 89 4.189 0.267 -5.514 1.00 0.00 C ATOM 1334 C VAL A 89 4.263 1.236 -6.689 1.00 0.00 C ATOM 1335 O VAL A 89 3.241 1.722 -7.172 1.00 0.00 O ATOM 1336 CB VAL A 89 3.919 -1.151 -6.049 1.00 0.00 C ATOM 1337 CG1 VAL A 89 4.964 -1.540 -7.084 1.00 0.00 C ATOM 1338 CG2 VAL A 89 3.890 -2.155 -4.906 1.00 0.00 C ATOM 0 H VAL A 89 2.229 0.754 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 89 5.140 0.271 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 89 2.943 -1.157 -6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.756 -2.545 -7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.932 -0.837 -7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.954 -1.517 -6.628 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.698 -3.152 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.851 -2.148 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.100 -1.885 -4.205 1.00 0.00 H new ATOM 1348 N ALA A 90 5.481 1.513 -7.145 1.00 0.00 N ATOM 1349 CA ALA A 90 5.689 2.422 -8.265 1.00 0.00 C ATOM 1350 C ALA A 90 5.845 1.654 -9.573 1.00 0.00 C ATOM 1351 O ALA A 90 6.516 0.622 -9.623 1.00 0.00 O ATOM 1352 CB ALA A 90 6.908 3.296 -8.015 1.00 0.00 C ATOM 0 H ALA A 90 6.338 1.121 -6.756 1.00 0.00 H new ATOM 0 HA ALA A 90 4.810 3.060 -8.352 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.052 3.970 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.757 3.879 -7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.790 2.666 -7.900 1.00 0.00 H new ATOM 1358 N TYR A 91 5.222 2.162 -10.630 1.00 0.00 N ATOM 1359 CA TYR A 91 5.289 1.522 -11.938 1.00 0.00 C ATOM 1360 C TYR A 91 5.682 2.527 -13.017 1.00 0.00 C ATOM 1361 O TYR A 91 5.009 3.538 -13.214 1.00 0.00 O ATOM 1362 CB TYR A 91 3.944 0.883 -12.287 1.00 0.00 C ATOM 1363 CG TYR A 91 3.764 -0.503 -11.710 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.208 -0.686 -10.451 1.00 0.00 C ATOM 1365 CD2 TYR A 91 4.150 -1.630 -12.427 1.00 0.00 C ATOM 1366 CE1 TYR A 91 3.043 -1.951 -9.920 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.987 -2.898 -11.904 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.434 -3.054 -10.651 1.00 0.00 C ATOM 1369 OH TYR A 91 3.270 -4.315 -10.126 1.00 0.00 O ATOM 0 H TYR A 91 4.664 3.016 -10.607 1.00 0.00 H new ATOM 0 HA TYR A 91 6.052 0.745 -11.895 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.141 1.525 -11.925 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.846 0.831 -13.371 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.899 0.175 -9.877 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.584 -1.512 -13.409 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.610 -2.076 -8.938 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.291 -3.763 -12.474 1.00 0.00 H new ATOM 0 HH TYR A 91 3.595 -4.981 -10.767 1.00 0.00 H new ATOM 1379 N ASN A 92 6.778 2.240 -13.713 1.00 0.00 N ATOM 1380 CA ASN A 92 7.262 3.117 -14.772 1.00 0.00 C ATOM 1381 C ASN A 92 7.548 2.327 -16.045 1.00 0.00 C ATOM 1382 O ASN A 92 7.510 1.096 -16.047 1.00 0.00 O ATOM 1383 CB ASN A 92 8.527 3.849 -14.318 1.00 0.00 C ATOM 1384 CG ASN A 92 8.261 4.805 -13.171 1.00 0.00 C ATOM 1385 OD1 ASN A 92 7.160 4.841 -12.621 1.00 0.00 O ATOM 1386 ND2 ASN A 92 9.271 5.586 -12.806 1.00 0.00 N ATOM 0 H ASN A 92 7.347 1.407 -13.562 1.00 0.00 H new ATOM 0 HA ASN A 92 6.484 3.849 -14.987 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.276 3.119 -14.013 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.945 4.402 -15.159 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.152 6.250 -12.041 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.166 5.522 -13.291 1.00 0.00 H new ATOM 1393 N LYS A 93 7.836 3.042 -17.127 1.00 0.00 N ATOM 1394 CA LYS A 93 8.131 2.409 -18.408 1.00 0.00 C ATOM 1395 C LYS A 93 9.173 1.308 -18.243 1.00 0.00 C ATOM 1396 O LYS A 93 9.056 0.235 -18.836 1.00 0.00 O ATOM 1397 CB LYS A 93 8.628 3.451 -19.412 1.00 0.00 C ATOM 1398 CG LYS A 93 9.953 4.085 -19.025 1.00 0.00 C ATOM 1399 CD LYS A 93 10.403 5.110 -20.053 1.00 0.00 C ATOM 1400 CE LYS A 93 9.870 6.497 -19.726 1.00 0.00 C ATOM 1401 NZ LYS A 93 8.479 6.687 -20.222 1.00 0.00 N ATOM 0 H LYS A 93 7.872 4.061 -17.143 1.00 0.00 H new ATOM 0 HA LYS A 93 7.211 1.961 -18.784 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.732 2.981 -20.390 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.876 4.234 -19.513 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.857 4.564 -18.050 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.713 3.310 -18.926 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.492 5.137 -20.089 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.058 4.810 -21.043 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.895 6.651 -18.647 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.520 7.250 -20.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.468 7.433 -20.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.133 5.797 -20.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.863 6.964 -19.431 1.00 0.00 H new ATOM 1415 N HIS A 94 10.191 1.579 -17.432 1.00 0.00 N ATOM 1416 CA HIS A 94 11.253 0.610 -17.188 1.00 0.00 C ATOM 1417 C HIS A 94 10.698 -0.649 -16.527 1.00 0.00 C ATOM 1418 O HIS A 94 10.808 -1.747 -17.070 1.00 0.00 O ATOM 1419 CB HIS A 94 12.341 1.225 -16.307 1.00 0.00 C ATOM 1420 CG HIS A 94 12.707 2.624 -16.697 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.539 2.918 -17.756 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.346 3.814 -16.163 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.677 4.228 -17.855 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.962 4.795 -16.900 1.00 0.00 N ATOM 0 H HIS A 94 10.303 2.462 -16.933 1.00 0.00 H new ATOM 0 HA HIS A 94 11.687 0.334 -18.149 1.00 0.00 H new ATOM 0 HB2 HIS A 94 12.003 1.222 -15.271 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.232 0.599 -16.353 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.694 3.964 -15.315 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.273 4.747 -18.591 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.881 5.799 -16.737 1.00 0.00 H new ATOM 1433 N GLY A 95 10.103 -0.480 -15.350 1.00 0.00 N ATOM 1434 CA GLY A 95 9.541 -1.611 -14.634 1.00 0.00 C ATOM 1435 C GLY A 95 9.229 -1.284 -13.187 1.00 0.00 C ATOM 1436 O GLY A 95 9.599 -0.228 -12.673 1.00 0.00 O ATOM 0 H GLY A 95 10.000 0.419 -14.880 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.629 -1.937 -15.134 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.241 -2.445 -14.672 1.00 0.00 H new ATOM 1440 N PRO A 96 8.532 -2.204 -12.506 1.00 0.00 N ATOM 1441 CA PRO A 96 8.154 -2.031 -11.100 1.00 0.00 C ATOM 1442 C PRO A 96 9.355 -2.105 -10.163 1.00 0.00 C ATOM 1443 O PRO A 96 9.979 -3.156 -10.021 1.00 0.00 O ATOM 1444 CB PRO A 96 7.201 -3.200 -10.841 1.00 0.00 C ATOM 1445 CG PRO A 96 7.594 -4.237 -11.837 1.00 0.00 C ATOM 1446 CD PRO A 96 8.058 -3.486 -13.054 1.00 0.00 C ATOM 0 HA PRO A 96 7.710 -1.053 -10.916 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.300 -3.573 -9.821 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.161 -2.900 -10.971 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.387 -4.874 -11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.752 -4.887 -12.077 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.854 -4.018 -13.575 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.249 -3.342 -13.770 1.00 0.00 H new ATOM 1454 N GLY A 97 9.673 -0.983 -9.525 1.00 0.00 N ATOM 1455 CA GLY A 97 10.799 -0.944 -8.610 1.00 0.00 C ATOM 1456 C GLY A 97 10.518 -1.679 -7.314 1.00 0.00 C ATOM 1457 O GLY A 97 9.905 -2.747 -7.318 1.00 0.00 O ATOM 0 H GLY A 97 9.171 -0.101 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.671 -1.385 -9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.048 0.094 -8.389 1.00 0.00 H new ATOM 1461 N VAL A 98 10.970 -1.108 -6.202 1.00 0.00 N ATOM 1462 CA VAL A 98 10.765 -1.717 -4.893 1.00 0.00 C ATOM 1463 C VAL A 98 9.351 -1.459 -4.382 1.00 0.00 C ATOM 1464 O VAL A 98 8.548 -0.808 -5.050 1.00 0.00 O ATOM 1465 CB VAL A 98 11.777 -1.183 -3.861 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.164 -1.744 -4.135 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.796 0.338 -3.872 1.00 0.00 C ATOM 0 H VAL A 98 11.480 -0.225 -6.181 1.00 0.00 H new ATOM 0 HA VAL A 98 10.914 -2.790 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 98 11.467 -1.512 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.866 -1.356 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.135 -2.832 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.486 -1.447 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.516 0.698 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 98 12.081 0.691 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.804 0.716 -3.624 1.00 0.00 H new ATOM 1477 N SER A 99 9.055 -1.973 -3.193 1.00 0.00 N ATOM 1478 CA SER A 99 7.737 -1.801 -2.593 1.00 0.00 C ATOM 1479 C SER A 99 7.854 -1.270 -1.168 1.00 0.00 C ATOM 1480 O SER A 99 8.689 -1.729 -0.388 1.00 0.00 O ATOM 1481 CB SER A 99 6.976 -3.128 -2.594 1.00 0.00 C ATOM 1482 OG SER A 99 5.806 -3.046 -1.800 1.00 0.00 O ATOM 0 H SER A 99 9.710 -2.512 -2.626 1.00 0.00 H new ATOM 0 HA SER A 99 7.186 -1.074 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.708 -3.396 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.621 -3.921 -2.216 1.00 0.00 H new ATOM 0 HG SER A 99 5.853 -3.708 -1.079 1.00 0.00 H new ATOM 1488 N THR A 100 7.009 -0.299 -0.833 1.00 0.00 N ATOM 1489 CA THR A 100 7.018 0.296 0.497 1.00 0.00 C ATOM 1490 C THR A 100 6.716 -0.746 1.567 1.00 0.00 C ATOM 1491 O THR A 100 6.136 -1.798 1.298 1.00 0.00 O ATOM 1492 CB THR A 100 5.991 1.440 0.606 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.830 1.132 -0.173 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.593 2.754 0.133 1.00 0.00 C ATOM 0 H THR A 100 6.310 0.091 -1.465 1.00 0.00 H new ATOM 0 HA THR A 100 8.018 0.698 0.658 1.00 0.00 H new ATOM 0 HB THR A 100 5.707 1.546 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.993 1.367 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.850 3.547 0.219 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.459 3.000 0.748 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.903 2.659 -0.908 1.00 0.00 H new ATOM 1502 N PRO A 101 7.119 -0.450 2.812 1.00 0.00 N ATOM 1503 CA PRO A 101 6.902 -1.349 3.949 1.00 0.00 C ATOM 1504 C PRO A 101 5.431 -1.442 4.342 1.00 0.00 C ATOM 1505 O PRO A 101 4.755 -0.425 4.498 1.00 0.00 O ATOM 1506 CB PRO A 101 7.715 -0.703 5.073 1.00 0.00 C ATOM 1507 CG PRO A 101 7.786 0.740 4.708 1.00 0.00 C ATOM 1508 CD PRO A 101 7.817 0.785 3.205 1.00 0.00 C ATOM 0 HA PRO A 101 7.201 -2.372 3.722 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.234 -0.843 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.710 -1.143 5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.925 1.284 5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.676 1.206 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.313 1.671 2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.838 0.808 2.825 1.00 0.00 H new ATOM 1516 N ASP A 102 4.942 -2.667 4.501 1.00 0.00 N ATOM 1517 CA ASP A 102 3.552 -2.893 4.877 1.00 0.00 C ATOM 1518 C ASP A 102 3.092 -1.862 5.903 1.00 0.00 C ATOM 1519 O ASP A 102 3.781 -1.603 6.890 1.00 0.00 O ATOM 1520 CB ASP A 102 3.376 -4.304 5.440 1.00 0.00 C ATOM 1521 CG ASP A 102 4.281 -5.314 4.763 1.00 0.00 C ATOM 1522 OD1 ASP A 102 5.508 -5.259 4.991 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.762 -6.161 4.005 1.00 0.00 O ATOM 0 H ASP A 102 5.488 -3.519 4.375 1.00 0.00 H new ATOM 0 HA ASP A 102 2.938 -2.788 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.584 -4.294 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.338 -4.613 5.320 1.00 0.00 H new ATOM 1528 N VAL A 103 1.924 -1.274 5.662 1.00 0.00 N ATOM 1529 CA VAL A 103 1.372 -0.271 6.565 1.00 0.00 C ATOM 1530 C VAL A 103 0.044 -0.732 7.152 1.00 0.00 C ATOM 1531 O VAL A 103 -1.024 -0.323 6.697 1.00 0.00 O ATOM 1532 CB VAL A 103 1.164 1.076 5.847 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.448 2.061 6.758 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.496 1.641 5.378 1.00 0.00 C ATOM 0 H VAL A 103 1.342 -1.475 4.849 1.00 0.00 H new ATOM 0 HA VAL A 103 2.095 -0.137 7.370 1.00 0.00 H new ATOM 0 HB VAL A 103 0.538 0.908 4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.310 3.007 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.524 1.656 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.045 2.227 7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.330 2.593 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.149 1.795 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.965 0.941 4.687 1.00 0.00 H new ATOM 1544 N ALA A 104 0.117 -1.587 8.168 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.080 -2.102 8.820 1.00 0.00 C ATOM 1546 C ALA A 104 -1.759 -1.021 9.654 1.00 0.00 C ATOM 1547 O ALA A 104 -1.100 -0.277 10.380 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.733 -3.302 9.689 1.00 0.00 C ATOM 0 H ALA A 104 0.993 -1.937 8.557 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.778 -2.418 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.637 -3.676 10.170 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.300 -4.087 9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.013 -3.003 10.451 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.082 -0.940 9.546 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.850 0.050 10.291 1.00 0.00 C ATOM 1556 C VAL A 105 -5.196 -0.516 10.732 1.00 0.00 C ATOM 1557 O VAL A 105 -5.800 -1.327 10.028 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.090 1.320 9.455 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -4.997 1.018 8.272 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.678 2.425 10.320 1.00 0.00 C ATOM 0 H VAL A 105 -3.643 -1.548 8.950 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.262 0.309 11.171 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.131 1.665 9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.155 1.928 7.693 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.531 0.262 7.640 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.956 0.647 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.841 3.315 9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.628 2.093 10.739 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.987 2.660 11.130 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.660 -0.084 11.899 1.00 0.00 N ATOM 1571 CA ARG A 106 -6.934 -0.549 12.434 1.00 0.00 C ATOM 1572 C ARG A 106 -8.023 0.501 12.232 1.00 0.00 C ATOM 1573 O ARG A 106 -7.863 1.660 12.614 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.798 -0.877 13.922 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.746 -1.967 14.394 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.637 -2.189 15.895 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.316 -2.680 16.280 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.036 -3.168 17.484 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -6.979 -3.229 18.414 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -4.811 -3.596 17.759 1.00 0.00 N ATOM 0 H ARG A 106 -5.173 0.587 12.493 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.218 -1.452 11.894 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.773 -1.186 14.125 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.979 0.027 14.503 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.770 -1.695 14.139 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.523 -2.897 13.870 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.842 -1.254 16.416 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.396 -2.904 16.212 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.568 -2.646 15.587 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.922 -2.901 18.206 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.761 -3.604 19.337 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.083 -3.551 17.046 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.597 -3.970 18.683 1.00 0.00 H new ATOM 1594 N THR A 107 -9.133 0.086 11.628 1.00 0.00 N ATOM 1595 CA THR A 107 -10.248 0.989 11.374 1.00 0.00 C ATOM 1596 C THR A 107 -10.941 1.387 12.672 1.00 0.00 C ATOM 1597 O THR A 107 -10.564 0.932 13.753 1.00 0.00 O ATOM 1598 CB THR A 107 -11.282 0.352 10.427 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.591 -0.977 10.861 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.758 0.316 8.999 1.00 0.00 C ATOM 0 H THR A 107 -9.283 -0.870 11.306 1.00 0.00 H new ATOM 0 HA THR A 107 -9.832 1.879 10.901 1.00 0.00 H new ATOM 0 HB THR A 107 -12.186 0.960 10.450 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.341 -1.327 10.336 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.505 -0.138 8.348 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.552 1.332 8.661 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.841 -0.271 8.963 1.00 0.00 H new ATOM 1608 N LEU A 108 -11.956 2.236 12.559 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.704 2.694 13.725 1.00 0.00 C ATOM 1610 C LEU A 108 -13.701 1.635 14.183 1.00 0.00 C ATOM 1611 O LEU A 108 -14.137 0.796 13.395 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.438 3.997 13.405 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.603 5.091 12.737 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.493 6.237 12.281 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.527 5.595 13.687 1.00 0.00 C ATOM 0 H LEU A 108 -12.280 2.621 11.672 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.995 2.873 14.533 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.282 3.765 12.756 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.849 4.396 14.332 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.115 4.665 11.860 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.882 7.006 11.808 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.227 5.865 11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.009 6.662 13.142 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.943 6.373 13.195 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.995 6.004 14.582 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.871 4.770 13.965 1.00 0.00 H new ATOM 1627 N SER A 109 -14.060 1.681 15.462 1.00 0.00 N ATOM 1628 CA SER A 109 -15.006 0.725 16.026 1.00 0.00 C ATOM 1629 C SER A 109 -16.361 1.380 16.271 1.00 0.00 C ATOM 1630 O SER A 109 -16.450 2.429 16.910 1.00 0.00 O ATOM 1631 CB SER A 109 -14.461 0.148 17.334 1.00 0.00 C ATOM 1632 OG SER A 109 -15.455 -0.596 18.016 1.00 0.00 O ATOM 0 H SER A 109 -13.710 2.370 16.127 1.00 0.00 H new ATOM 0 HA SER A 109 -15.139 -0.084 15.308 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.604 -0.492 17.124 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.106 0.957 17.972 1.00 0.00 H new ATOM 0 HG SER A 109 -15.082 -0.955 18.848 1.00 0.00 H new