USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=27 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 92 ASN : amide:sc= -3.77! C(o=-6.6!,f=-12!) USER MOD Set 1.2: A 94 HIS : no HE2:sc= -2.83 K(o=-6.6,f=-3.9) USER MOD Set 2.1: A 40 THR OG1 : rot 90:sc= 1.34 USER MOD Set 2.2: A 51 TYR OH : rot -140:sc= 1.13 USER MOD Set 2.3: A 71 HIS : no HE2:sc= 0.531 K(o=3,f=-0.069) USER MOD Set 3.1: A 55 TYR OH : rot 100:sc= 1.33 USER MOD Set 3.2: A 64 GLN : amide:sc= 0.932 K(o=2.3,f=-2.7) USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0.00151 USER MOD Set 4.2: A 74 THR OG1 : rot -89:sc= 0.0028 USER MOD Single : A 23 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.41 USER MOD Single : A 30 SER OG : rot 38:sc= 1.25 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.926 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.6!) USER MOD Single : A 50 ASN : amide:sc= -1.07! X(o=-1.1!,f=-0.87) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 73:sc= 0.0995 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0199 X(o=-0.02,f=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 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 35:sc= 0.682 USER MOD Single : A 85 SER OG : rot 100:sc= -0.938 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -120:sc= -0.606 USER MOD Single : A 100 THR OG1 : rot -80:sc= 1.45 USER MOD Single : A 107 THR OG1 : rot 168:sc= 0.552 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 14.796 1.555 -11.935 1.00 0.00 N ATOM 215 CA LEU A 17 13.445 1.514 -11.385 1.00 0.00 C ATOM 216 C LEU A 17 13.235 2.636 -10.373 1.00 0.00 C ATOM 217 O LEU A 17 14.184 3.187 -9.814 1.00 0.00 O ATOM 218 CB LEU A 17 13.183 0.160 -10.724 1.00 0.00 C ATOM 219 CG LEU A 17 12.598 -0.926 -11.628 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.055 -0.728 -13.065 1.00 0.00 C ATOM 221 CD2 LEU A 17 12.992 -2.307 -11.126 1.00 0.00 C ATOM 0 HA LEU A 17 12.741 1.653 -12.205 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.122 -0.207 -10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.503 0.313 -9.886 1.00 0.00 H new ATOM 0 HG LEU A 17 11.511 -0.848 -11.601 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.629 -1.510 -13.693 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.721 0.246 -13.422 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.143 -0.778 -13.111 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.567 -3.067 -11.781 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.078 -2.397 -11.123 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.613 -2.448 -10.114 1.00 0.00 H new ATOM 233 N PRO A 18 11.963 2.983 -10.129 1.00 0.00 N ATOM 234 CA PRO A 18 11.598 4.039 -9.181 1.00 0.00 C ATOM 235 C PRO A 18 11.870 3.640 -7.734 1.00 0.00 C ATOM 236 O PRO A 18 12.465 2.596 -7.470 1.00 0.00 O ATOM 237 CB PRO A 18 10.096 4.221 -9.412 1.00 0.00 C ATOM 238 CG PRO A 18 9.635 2.911 -9.952 1.00 0.00 C ATOM 239 CD PRO A 18 10.782 2.369 -10.759 1.00 0.00 C ATOM 0 HA PRO A 18 12.180 4.947 -9.339 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.580 4.471 -8.485 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.899 5.031 -10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.369 2.228 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.746 3.035 -10.571 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.824 1.281 -10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.699 2.644 -11.810 1.00 0.00 H new ATOM 247 N GLY A 19 11.428 4.477 -6.801 1.00 0.00 N ATOM 248 CA GLY A 19 11.633 4.193 -5.392 1.00 0.00 C ATOM 249 C GLY A 19 10.336 4.180 -4.609 1.00 0.00 C ATOM 250 O GLY A 19 9.262 4.465 -5.140 1.00 0.00 O ATOM 0 H GLY A 19 10.932 5.347 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.127 3.227 -5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.303 4.941 -4.967 1.00 0.00 H new ATOM 254 N PRO A 20 10.425 3.843 -3.314 1.00 0.00 N ATOM 255 CA PRO A 20 9.258 3.785 -2.428 1.00 0.00 C ATOM 256 C PRO A 20 8.688 5.167 -2.129 1.00 0.00 C ATOM 257 O PRO A 20 9.386 6.038 -1.611 1.00 0.00 O ATOM 258 CB PRO A 20 9.813 3.148 -1.152 1.00 0.00 C ATOM 259 CG PRO A 20 11.267 3.474 -1.166 1.00 0.00 C ATOM 260 CD PRO A 20 11.673 3.492 -2.614 1.00 0.00 C ATOM 0 HA PRO A 20 8.434 3.229 -2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.326 3.551 -0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.649 2.070 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.455 4.439 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.839 2.731 -0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.459 4.224 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.056 2.524 -2.936 1.00 0.00 H new ATOM 268 N ALA A 21 7.416 5.361 -2.459 1.00 0.00 N ATOM 269 CA ALA A 21 6.751 6.637 -2.224 1.00 0.00 C ATOM 270 C ALA A 21 6.879 7.061 -0.765 1.00 0.00 C ATOM 271 O ALA A 21 6.412 6.380 0.148 1.00 0.00 O ATOM 272 CB ALA A 21 5.286 6.551 -2.624 1.00 0.00 C ATOM 0 H ALA A 21 6.825 4.651 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 21 7.240 7.392 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.802 7.511 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.212 6.301 -3.682 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.792 5.779 -2.034 1.00 0.00 H new ATOM 278 N PRO A 22 7.528 8.213 -0.537 1.00 0.00 N ATOM 279 CA PRO A 22 7.733 8.753 0.810 1.00 0.00 C ATOM 280 C PRO A 22 6.434 9.246 1.440 1.00 0.00 C ATOM 281 O PRO A 22 5.357 9.090 0.867 1.00 0.00 O ATOM 282 CB PRO A 22 8.694 9.923 0.581 1.00 0.00 C ATOM 283 CG PRO A 22 8.459 10.335 -0.831 1.00 0.00 C ATOM 284 CD PRO A 22 8.111 9.076 -1.577 1.00 0.00 C ATOM 0 HA PRO A 22 8.115 7.999 1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.492 10.742 1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.730 9.621 0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.650 11.063 -0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.347 10.806 -1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.402 9.269 -2.382 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.992 8.621 -2.030 1.00 0.00 H new ATOM 292 N ASN A 23 6.545 9.843 2.623 1.00 0.00 N ATOM 293 CA ASN A 23 5.379 10.359 3.331 1.00 0.00 C ATOM 294 C ASN A 23 4.192 9.412 3.186 1.00 0.00 C ATOM 295 O ASN A 23 3.088 9.832 2.835 1.00 0.00 O ATOM 296 CB ASN A 23 5.008 11.745 2.802 1.00 0.00 C ATOM 297 CG ASN A 23 6.158 12.728 2.898 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.560 13.330 1.902 1.00 0.00 O ATOM 299 ND2 ASN A 23 6.694 12.895 4.102 1.00 0.00 N ATOM 0 H ASN A 23 7.430 9.981 3.111 1.00 0.00 H new ATOM 0 HA ASN A 23 5.632 10.437 4.388 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.691 11.661 1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.157 12.130 3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.471 13.543 4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.328 12.375 4.900 1.00 0.00 H new ATOM 306 N LEU A 24 4.425 8.133 3.458 1.00 0.00 N ATOM 307 CA LEU A 24 3.375 7.125 3.359 1.00 0.00 C ATOM 308 C LEU A 24 2.532 7.090 4.630 1.00 0.00 C ATOM 309 O LEU A 24 2.939 6.519 5.641 1.00 0.00 O ATOM 310 CB LEU A 24 3.986 5.747 3.101 1.00 0.00 C ATOM 311 CG LEU A 24 2.998 4.586 2.983 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.019 4.832 1.846 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.739 3.273 2.777 1.00 0.00 C ATOM 0 H LEU A 24 5.332 7.769 3.749 1.00 0.00 H new ATOM 0 HA LEU A 24 2.728 7.391 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.569 5.797 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.683 5.524 3.909 1.00 0.00 H new ATOM 0 HG LEU A 24 2.434 4.519 3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.324 3.995 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.464 5.751 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.567 4.927 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.020 2.458 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.330 3.328 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.399 3.091 3.625 1.00 0.00 H new ATOM 325 N ARG A 25 1.354 7.704 4.570 1.00 0.00 N ATOM 326 CA ARG A 25 0.454 7.742 5.715 1.00 0.00 C ATOM 327 C ARG A 25 -0.819 6.949 5.433 1.00 0.00 C ATOM 328 O ARG A 25 -1.276 6.875 4.293 1.00 0.00 O ATOM 329 CB ARG A 25 0.098 9.189 6.064 1.00 0.00 C ATOM 330 CG ARG A 25 1.245 10.165 5.854 1.00 0.00 C ATOM 331 CD ARG A 25 2.184 10.186 7.050 1.00 0.00 C ATOM 332 NE ARG A 25 3.090 9.042 7.055 1.00 0.00 N ATOM 333 CZ ARG A 25 3.779 8.654 8.123 1.00 0.00 C ATOM 334 NH1 ARG A 25 3.664 9.316 9.266 1.00 0.00 N ATOM 335 NH2 ARG A 25 4.584 7.602 8.049 1.00 0.00 N ATOM 0 H ARG A 25 1.002 8.181 3.740 1.00 0.00 H new ATOM 0 HA ARG A 25 0.966 7.286 6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.751 9.502 5.456 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.221 9.235 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.801 9.888 4.958 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.847 11.165 5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.765 11.108 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.599 10.189 7.970 1.00 0.00 H new ATOM 0 HE ARG A 25 3.200 8.511 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.046 10.125 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.194 9.016 10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.675 7.090 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.112 7.305 8.870 1.00 0.00 H new ATOM 349 N ALA A 26 -1.385 6.356 6.479 1.00 0.00 N ATOM 350 CA ALA A 26 -2.605 5.570 6.344 1.00 0.00 C ATOM 351 C ALA A 26 -3.454 5.654 7.608 1.00 0.00 C ATOM 352 O ALA A 26 -2.971 5.396 8.711 1.00 0.00 O ATOM 353 CB ALA A 26 -2.266 4.121 6.029 1.00 0.00 C ATOM 0 H ALA A 26 -1.018 6.405 7.429 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.186 5.983 5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.186 3.545 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.706 4.073 5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.662 3.705 6.835 1.00 0.00 H new ATOM 359 N TYR A 27 -4.721 6.016 7.440 1.00 0.00 N ATOM 360 CA TYR A 27 -5.637 6.137 8.568 1.00 0.00 C ATOM 361 C TYR A 27 -7.041 5.680 8.181 1.00 0.00 C ATOM 362 O TYR A 27 -7.435 5.766 7.019 1.00 0.00 O ATOM 363 CB TYR A 27 -5.679 7.583 9.066 1.00 0.00 C ATOM 364 CG TYR A 27 -5.936 8.593 7.971 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.962 8.883 7.023 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.153 9.257 7.883 1.00 0.00 C ATOM 367 CE1 TYR A 27 -5.193 9.806 6.021 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.393 10.181 6.884 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.409 10.452 5.956 1.00 0.00 C ATOM 370 OH TYR A 27 -6.643 11.371 4.958 1.00 0.00 O ATOM 0 H TYR A 27 -5.137 6.231 6.534 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.273 5.494 9.369 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.457 7.675 9.824 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.732 7.819 9.551 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.008 8.378 7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.925 9.047 8.608 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.425 10.020 5.293 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.345 10.688 6.830 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.548 11.734 5.053 1.00 0.00 H new ATOM 380 N ALA A 28 -7.790 5.194 9.166 1.00 0.00 N ATOM 381 CA ALA A 28 -9.150 4.726 8.931 1.00 0.00 C ATOM 382 C ALA A 28 -10.149 5.874 9.020 1.00 0.00 C ATOM 383 O ALA A 28 -10.458 6.358 10.109 1.00 0.00 O ATOM 384 CB ALA A 28 -9.511 3.632 9.925 1.00 0.00 C ATOM 0 H ALA A 28 -7.478 5.114 10.134 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.197 4.316 7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.530 3.292 9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.822 2.795 9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.440 4.024 10.939 1.00 0.00 H new ATOM 390 N ALA A 29 -10.651 6.307 7.868 1.00 0.00 N ATOM 391 CA ALA A 29 -11.616 7.398 7.816 1.00 0.00 C ATOM 392 C ALA A 29 -13.000 6.927 8.249 1.00 0.00 C ATOM 393 O ALA A 29 -13.912 7.733 8.431 1.00 0.00 O ATOM 394 CB ALA A 29 -11.671 7.988 6.415 1.00 0.00 C ATOM 0 H ALA A 29 -10.405 5.918 6.958 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.290 8.172 8.511 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.396 8.802 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.687 8.370 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.969 7.215 5.706 1.00 0.00 H new ATOM 400 N SER A 30 -13.151 5.616 8.411 1.00 0.00 N ATOM 401 CA SER A 30 -14.426 5.037 8.818 1.00 0.00 C ATOM 402 C SER A 30 -14.265 3.561 9.169 1.00 0.00 C ATOM 403 O SER A 30 -13.294 2.908 8.787 1.00 0.00 O ATOM 404 CB SER A 30 -15.462 5.198 7.704 1.00 0.00 C ATOM 405 OG SER A 30 -16.169 6.419 7.838 1.00 0.00 O ATOM 0 H SER A 30 -12.406 4.935 8.267 1.00 0.00 H new ATOM 0 HA SER A 30 -14.771 5.568 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.966 5.166 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.163 4.363 7.731 1.00 0.00 H new ATOM 0 HG SER A 30 -15.554 7.122 8.135 1.00 0.00 H new ATOM 411 N PRO A 31 -15.240 3.022 9.915 1.00 0.00 N ATOM 412 CA PRO A 31 -15.231 1.617 10.335 1.00 0.00 C ATOM 413 C PRO A 31 -15.461 0.662 9.168 1.00 0.00 C ATOM 414 O PRO A 31 -15.441 -0.557 9.337 1.00 0.00 O ATOM 415 CB PRO A 31 -16.392 1.536 11.329 1.00 0.00 C ATOM 416 CG PRO A 31 -17.308 2.642 10.932 1.00 0.00 C ATOM 417 CD PRO A 31 -16.427 3.741 10.407 1.00 0.00 C ATOM 0 HA PRO A 31 -14.270 1.324 10.757 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.892 0.569 11.276 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.044 1.659 12.355 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.013 2.310 10.170 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.896 2.986 11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.916 4.302 9.610 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.168 4.456 11.188 1.00 0.00 H new ATOM 425 N THR A 32 -15.680 1.225 7.983 1.00 0.00 N ATOM 426 CA THR A 32 -15.914 0.423 6.789 1.00 0.00 C ATOM 427 C THR A 32 -15.025 0.879 5.638 1.00 0.00 C ATOM 428 O THR A 32 -15.023 0.274 4.565 1.00 0.00 O ATOM 429 CB THR A 32 -17.387 0.496 6.344 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.746 1.852 6.058 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.306 -0.060 7.421 1.00 0.00 C ATOM 0 H THR A 32 -15.700 2.233 7.825 1.00 0.00 H new ATOM 0 HA THR A 32 -15.670 -0.608 7.047 1.00 0.00 H new ATOM 0 HB THR A 32 -17.501 -0.108 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.683 1.889 5.774 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.341 0.002 7.084 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.050 -1.101 7.616 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.187 0.520 8.336 1.00 0.00 H new ATOM 439 N SER A 33 -14.269 1.948 5.867 1.00 0.00 N ATOM 440 CA SER A 33 -13.376 2.486 4.847 1.00 0.00 C ATOM 441 C SER A 33 -12.014 2.828 5.443 1.00 0.00 C ATOM 442 O SER A 33 -11.834 2.805 6.661 1.00 0.00 O ATOM 443 CB SER A 33 -13.992 3.732 4.207 1.00 0.00 C ATOM 444 OG SER A 33 -13.656 4.899 4.937 1.00 0.00 O ATOM 0 H SER A 33 -14.257 2.459 6.750 1.00 0.00 H new ATOM 0 HA SER A 33 -13.237 1.723 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.641 3.828 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.076 3.625 4.165 1.00 0.00 H new ATOM 0 HG SER A 33 -14.060 5.681 4.507 1.00 0.00 H new ATOM 450 N ILE A 34 -11.058 3.143 4.576 1.00 0.00 N ATOM 451 CA ILE A 34 -9.712 3.490 5.015 1.00 0.00 C ATOM 452 C ILE A 34 -9.016 4.388 3.998 1.00 0.00 C ATOM 453 O ILE A 34 -8.826 4.006 2.843 1.00 0.00 O ATOM 454 CB ILE A 34 -8.853 2.232 5.245 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.360 1.457 6.463 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.392 2.614 5.423 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.509 0.256 6.812 1.00 0.00 C ATOM 0 H ILE A 34 -11.191 3.165 3.565 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.816 4.026 5.958 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.935 1.588 4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.396 2.128 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.381 1.126 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.798 1.715 5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.038 3.127 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.291 3.275 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.927 -0.245 7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.493 -0.436 5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.493 0.582 7.033 1.00 0.00 H new ATOM 469 N THR A 35 -8.637 5.585 4.436 1.00 0.00 N ATOM 470 CA THR A 35 -7.961 6.538 3.565 1.00 0.00 C ATOM 471 C THR A 35 -6.448 6.366 3.630 1.00 0.00 C ATOM 472 O THR A 35 -5.877 6.212 4.709 1.00 0.00 O ATOM 473 CB THR A 35 -8.318 7.990 3.937 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.711 8.226 3.709 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.491 8.975 3.125 1.00 0.00 C ATOM 0 H THR A 35 -8.787 5.917 5.389 1.00 0.00 H new ATOM 0 HA THR A 35 -8.303 6.336 2.550 1.00 0.00 H new ATOM 0 HB THR A 35 -8.094 8.137 4.994 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.930 9.151 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.760 9.994 3.405 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.432 8.812 3.324 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.687 8.826 2.063 1.00 0.00 H new ATOM 483 N VAL A 36 -5.804 6.392 2.468 1.00 0.00 N ATOM 484 CA VAL A 36 -4.356 6.241 2.393 1.00 0.00 C ATOM 485 C VAL A 36 -3.733 7.332 1.529 1.00 0.00 C ATOM 486 O VAL A 36 -4.067 7.474 0.352 1.00 0.00 O ATOM 487 CB VAL A 36 -3.964 4.864 1.824 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.475 4.613 2.009 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.784 3.764 2.480 1.00 0.00 C ATOM 0 H VAL A 36 -6.262 6.516 1.565 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.976 6.327 3.411 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.179 4.858 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.217 3.636 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.908 5.385 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.231 4.639 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.494 2.798 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.603 3.767 3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.843 3.937 2.290 1.00 0.00 H new ATOM 499 N THR A 37 -2.824 8.101 2.120 1.00 0.00 N ATOM 500 CA THR A 37 -2.154 9.180 1.406 1.00 0.00 C ATOM 501 C THR A 37 -0.647 8.955 1.359 1.00 0.00 C ATOM 502 O THR A 37 -0.038 8.558 2.352 1.00 0.00 O ATOM 503 CB THR A 37 -2.438 10.546 2.058 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.726 10.656 3.295 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.927 10.729 2.305 1.00 0.00 C ATOM 0 H THR A 37 -2.535 7.996 3.093 1.00 0.00 H new ATOM 0 HA THR A 37 -2.550 9.181 0.391 1.00 0.00 H new ATOM 0 HB THR A 37 -2.101 11.326 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.911 11.528 3.702 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.103 11.701 2.766 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.462 10.675 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.285 9.942 2.969 1.00 0.00 H new ATOM 513 N TRP A 38 -0.052 9.212 0.200 1.00 0.00 N ATOM 514 CA TRP A 38 1.386 9.038 0.024 1.00 0.00 C ATOM 515 C TRP A 38 1.965 10.146 -0.849 1.00 0.00 C ATOM 516 O TRP A 38 1.227 10.947 -1.422 1.00 0.00 O ATOM 517 CB TRP A 38 1.683 7.673 -0.599 1.00 0.00 C ATOM 518 CG TRP A 38 1.003 7.461 -1.918 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.513 7.735 -3.155 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.310 6.933 -2.130 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.594 7.408 -4.124 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.532 6.914 -3.521 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.320 6.473 -1.280 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.722 6.454 -4.078 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.501 6.017 -1.835 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.693 6.009 -3.223 1.00 0.00 C ATOM 0 H TRP A 38 -0.542 9.541 -0.632 1.00 0.00 H new ATOM 0 HA TRP A 38 1.856 9.091 1.006 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.760 7.569 -0.733 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.371 6.890 0.092 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.493 8.147 -3.344 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.729 7.516 -5.129 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.180 6.474 -0.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.873 6.449 -5.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.289 5.661 -1.188 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.626 5.644 -3.626 1.00 0.00 H new ATOM 537 N GLU A 39 3.291 10.185 -0.947 1.00 0.00 N ATOM 538 CA GLU A 39 3.968 11.196 -1.750 1.00 0.00 C ATOM 539 C GLU A 39 4.781 10.548 -2.867 1.00 0.00 C ATOM 540 O GLU A 39 5.034 9.343 -2.848 1.00 0.00 O ATOM 541 CB GLU A 39 4.881 12.052 -0.870 1.00 0.00 C ATOM 542 CG GLU A 39 4.139 13.112 -0.073 1.00 0.00 C ATOM 543 CD GLU A 39 3.431 14.118 -0.959 1.00 0.00 C ATOM 544 OE1 GLU A 39 4.073 14.644 -1.892 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.233 14.380 -0.719 1.00 0.00 O ATOM 0 H GLU A 39 3.917 9.528 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 39 3.208 11.834 -2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.420 11.402 -0.181 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.627 12.538 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.409 12.629 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.844 13.635 0.573 1.00 0.00 H new ATOM 552 N THR A 40 5.187 11.357 -3.841 1.00 0.00 N ATOM 553 CA THR A 40 5.970 10.864 -4.967 1.00 0.00 C ATOM 554 C THR A 40 7.458 10.846 -4.637 1.00 0.00 C ATOM 555 O THR A 40 8.019 11.821 -4.135 1.00 0.00 O ATOM 556 CB THR A 40 5.745 11.722 -6.226 1.00 0.00 C ATOM 557 OG1 THR A 40 4.466 11.426 -6.799 1.00 0.00 O ATOM 558 CG2 THR A 40 6.837 11.471 -7.255 1.00 0.00 C ATOM 0 H THR A 40 4.986 12.357 -3.872 1.00 0.00 H new ATOM 0 HA THR A 40 5.633 9.847 -5.165 1.00 0.00 H new ATOM 0 HB THR A 40 5.778 12.771 -5.933 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.790 12.022 -6.415 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.656 12.088 -8.135 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.806 11.725 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.832 10.419 -7.542 1.00 0.00 H new ATOM 566 N PRO A 41 8.116 9.713 -4.925 1.00 0.00 N ATOM 567 CA PRO A 41 9.549 9.543 -4.668 1.00 0.00 C ATOM 568 C PRO A 41 10.410 10.394 -5.595 1.00 0.00 C ATOM 569 O PRO A 41 10.419 10.191 -6.810 1.00 0.00 O ATOM 570 CB PRO A 41 9.783 8.054 -4.937 1.00 0.00 C ATOM 571 CG PRO A 41 8.701 7.666 -5.885 1.00 0.00 C ATOM 572 CD PRO A 41 7.511 8.512 -5.524 1.00 0.00 C ATOM 0 HA PRO A 41 9.822 9.857 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.769 7.880 -5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.730 7.472 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.005 7.841 -6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.467 6.605 -5.797 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.912 8.758 -6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.853 8.001 -4.822 1.00 0.00 H new ATOM 580 N VAL A 42 11.133 11.347 -5.016 1.00 0.00 N ATOM 581 CA VAL A 42 11.998 12.228 -5.790 1.00 0.00 C ATOM 582 C VAL A 42 13.035 11.430 -6.574 1.00 0.00 C ATOM 583 O VAL A 42 13.659 11.945 -7.501 1.00 0.00 O ATOM 584 CB VAL A 42 12.724 13.240 -4.885 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.726 13.984 -4.010 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.772 12.539 -4.034 1.00 0.00 C ATOM 0 H VAL A 42 11.137 11.529 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 42 11.357 12.769 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 42 13.232 13.968 -5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.257 14.695 -3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.017 14.519 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.189 13.271 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.275 13.270 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.290 11.788 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.503 12.056 -4.682 1.00 0.00 H new ATOM 650 N ILE A 48 6.520 8.650 -13.312 1.00 0.00 N ATOM 651 CA ILE A 48 5.613 7.589 -12.894 1.00 0.00 C ATOM 652 C ILE A 48 4.432 7.466 -13.851 1.00 0.00 C ATOM 653 O ILE A 48 3.941 8.465 -14.376 1.00 0.00 O ATOM 654 CB ILE A 48 5.082 7.831 -11.469 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.240 8.124 -10.513 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.284 6.627 -10.990 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.391 7.151 -10.642 1.00 0.00 C ATOM 0 HA ILE A 48 6.186 6.662 -12.907 1.00 0.00 H new ATOM 0 HB ILE A 48 4.421 8.698 -11.485 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.606 9.134 -10.698 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.869 8.102 -9.488 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.915 6.813 -9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.440 6.460 -11.660 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.924 5.745 -10.985 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.176 7.420 -9.935 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.040 6.142 -10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.788 7.190 -11.656 1.00 0.00 H new ATOM 669 N GLN A 49 3.980 6.236 -14.071 1.00 0.00 N ATOM 670 CA GLN A 49 2.855 5.984 -14.963 1.00 0.00 C ATOM 671 C GLN A 49 1.577 5.729 -14.170 1.00 0.00 C ATOM 672 O GLN A 49 0.522 6.280 -14.482 1.00 0.00 O ATOM 673 CB GLN A 49 3.154 4.788 -15.869 1.00 0.00 C ATOM 674 CG GLN A 49 4.278 5.041 -16.860 1.00 0.00 C ATOM 675 CD GLN A 49 3.830 5.858 -18.055 1.00 0.00 C ATOM 676 OE1 GLN A 49 2.636 6.083 -18.256 1.00 0.00 O ATOM 677 NE2 GLN A 49 4.788 6.308 -18.858 1.00 0.00 N ATOM 0 H GLN A 49 4.376 5.398 -13.644 1.00 0.00 H new ATOM 0 HA GLN A 49 2.707 6.871 -15.580 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.414 3.930 -15.249 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.250 4.523 -16.418 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.093 5.560 -16.355 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.674 4.086 -17.206 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.765 6.098 -18.654 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.546 6.864 -19.679 1.00 0.00 H new ATOM 686 N ASN A 50 1.680 4.891 -13.144 1.00 0.00 N ATOM 687 CA ASN A 50 0.532 4.563 -12.307 1.00 0.00 C ATOM 688 C ASN A 50 0.981 4.124 -10.916 1.00 0.00 C ATOM 689 O ASN A 50 2.093 3.627 -10.739 1.00 0.00 O ATOM 690 CB ASN A 50 -0.302 3.458 -12.959 1.00 0.00 C ATOM 691 CG ASN A 50 0.244 2.074 -12.666 1.00 0.00 C ATOM 692 OD1 ASN A 50 0.933 1.478 -13.494 1.00 0.00 O ATOM 693 ND2 ASN A 50 -0.064 1.555 -11.483 1.00 0.00 N ATOM 0 H ASN A 50 2.547 4.427 -12.872 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.080 5.459 -12.206 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.330 3.523 -12.602 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.329 3.615 -14.037 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.274 0.626 -11.230 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.638 2.085 -10.827 1.00 0.00 H new ATOM 700 N TYR A 51 0.107 4.311 -9.933 1.00 0.00 N ATOM 701 CA TYR A 51 0.413 3.936 -8.558 1.00 0.00 C ATOM 702 C TYR A 51 -0.365 2.690 -8.146 1.00 0.00 C ATOM 703 O TYR A 51 -1.596 2.673 -8.178 1.00 0.00 O ATOM 704 CB TYR A 51 0.089 5.090 -7.608 1.00 0.00 C ATOM 705 CG TYR A 51 1.187 6.125 -7.515 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.487 5.759 -7.188 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.926 7.468 -7.752 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.494 6.701 -7.100 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.926 8.417 -7.669 1.00 0.00 C ATOM 710 CZ TYR A 51 3.209 8.028 -7.343 1.00 0.00 C ATOM 711 OH TYR A 51 4.208 8.970 -7.257 1.00 0.00 O ATOM 0 H TYR A 51 -0.818 4.720 -10.063 1.00 0.00 H new ATOM 0 HA TYR A 51 1.478 3.713 -8.498 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.829 5.575 -7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.104 4.687 -6.614 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.714 4.720 -6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.077 7.776 -8.006 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.499 6.400 -6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.705 9.457 -7.858 1.00 0.00 H new ATOM 0 HH TYR A 51 3.857 9.781 -6.834 1.00 0.00 H new ATOM 721 N LYS A 52 0.362 1.647 -7.759 1.00 0.00 N ATOM 722 CA LYS A 52 -0.257 0.396 -7.339 1.00 0.00 C ATOM 723 C LYS A 52 -0.510 0.392 -5.835 1.00 0.00 C ATOM 724 O LYS A 52 0.427 0.337 -5.038 1.00 0.00 O ATOM 725 CB LYS A 52 0.631 -0.790 -7.721 1.00 0.00 C ATOM 726 CG LYS A 52 -0.138 -2.081 -7.940 1.00 0.00 C ATOM 727 CD LYS A 52 -0.869 -2.076 -9.272 1.00 0.00 C ATOM 728 CE LYS A 52 -1.076 -3.487 -9.800 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.185 -3.513 -11.285 1.00 0.00 N ATOM 0 H LYS A 52 1.382 1.644 -7.728 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.215 0.304 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.179 -0.545 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.371 -0.947 -6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.550 -2.926 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.855 -2.220 -7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.835 -1.585 -9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.301 -1.495 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.245 -4.118 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.980 -3.910 -9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.325 -4.492 -11.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.994 -2.931 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.312 -3.133 -11.704 1.00 0.00 H new ATOM 743 N LEU A 53 -1.781 0.450 -5.453 1.00 0.00 N ATOM 744 CA LEU A 53 -2.158 0.452 -4.044 1.00 0.00 C ATOM 745 C LEU A 53 -2.701 -0.910 -3.624 1.00 0.00 C ATOM 746 O LEU A 53 -3.690 -1.393 -4.177 1.00 0.00 O ATOM 747 CB LEU A 53 -3.204 1.536 -3.776 1.00 0.00 C ATOM 748 CG LEU A 53 -3.817 1.545 -2.376 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.755 1.846 -1.330 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.948 2.560 -2.296 1.00 0.00 C ATOM 0 H LEU A 53 -2.568 0.496 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.266 0.664 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.745 2.508 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.009 1.424 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.227 0.556 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.210 1.848 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.978 1.083 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.315 2.823 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.373 2.553 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.561 3.554 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.721 2.301 -3.019 1.00 0.00 H new ATOM 762 N TYR A 54 -2.051 -1.524 -2.642 1.00 0.00 N ATOM 763 CA TYR A 54 -2.468 -2.830 -2.147 1.00 0.00 C ATOM 764 C TYR A 54 -3.263 -2.694 -0.852 1.00 0.00 C ATOM 765 O TYR A 54 -3.141 -1.699 -0.137 1.00 0.00 O ATOM 766 CB TYR A 54 -1.249 -3.726 -1.919 1.00 0.00 C ATOM 767 CG TYR A 54 -0.546 -4.128 -3.195 1.00 0.00 C ATOM 768 CD1 TYR A 54 0.016 -3.173 -4.033 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.441 -5.464 -3.563 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.659 -3.536 -5.200 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.201 -5.836 -4.727 1.00 0.00 C ATOM 772 CZ TYR A 54 0.749 -4.869 -5.543 1.00 0.00 C ATOM 773 OH TYR A 54 1.390 -5.234 -6.705 1.00 0.00 O ATOM 0 H TYR A 54 -1.232 -1.138 -2.173 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.110 -3.287 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.542 -3.206 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.563 -4.625 -1.389 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.051 -2.128 -3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.869 -6.225 -2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.089 -2.780 -5.841 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.274 -6.879 -4.997 1.00 0.00 H new ATOM 0 HH TYR A 54 1.367 -6.209 -6.799 1.00 0.00 H new ATOM 783 N TYR A 55 -4.078 -3.701 -0.557 1.00 0.00 N ATOM 784 CA TYR A 55 -4.895 -3.694 0.650 1.00 0.00 C ATOM 785 C TYR A 55 -5.385 -5.100 0.984 1.00 0.00 C ATOM 786 O TYR A 55 -5.852 -5.830 0.110 1.00 0.00 O ATOM 787 CB TYR A 55 -6.088 -2.753 0.478 1.00 0.00 C ATOM 788 CG TYR A 55 -7.136 -3.273 -0.480 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.891 -3.326 -1.847 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.372 -3.711 -0.019 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.846 -3.799 -2.726 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.332 -4.187 -0.890 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.064 -4.229 -2.243 1.00 0.00 C ATOM 794 OH TYR A 55 -10.018 -4.702 -3.115 1.00 0.00 O ATOM 0 H TYR A 55 -4.190 -4.532 -1.137 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.277 -3.339 1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.549 -2.583 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.730 -1.787 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.938 -2.992 -2.229 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.585 -3.678 1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.640 -3.832 -3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.287 -4.524 -0.515 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.008 -5.682 -3.110 1.00 0.00 H new ATOM 804 N MET A 56 -5.276 -5.472 2.255 1.00 0.00 N ATOM 805 CA MET A 56 -5.709 -6.789 2.706 1.00 0.00 C ATOM 806 C MET A 56 -6.022 -6.777 4.199 1.00 0.00 C ATOM 807 O MET A 56 -5.606 -5.872 4.921 1.00 0.00 O ATOM 808 CB MET A 56 -4.633 -7.834 2.407 1.00 0.00 C ATOM 809 CG MET A 56 -3.671 -8.063 3.561 1.00 0.00 C ATOM 810 SD MET A 56 -2.037 -8.590 3.010 1.00 0.00 S ATOM 811 CE MET A 56 -1.441 -9.431 4.474 1.00 0.00 C ATOM 0 H MET A 56 -4.891 -4.880 2.991 1.00 0.00 H new ATOM 0 HA MET A 56 -6.618 -7.050 2.164 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.115 -8.778 2.154 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.067 -7.520 1.530 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.576 -7.143 4.138 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.085 -8.817 4.230 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.438 -9.815 4.290 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.415 -8.732 5.310 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.108 -10.259 4.715 1.00 0.00 H new ATOM 821 N GLU A 57 -6.758 -7.787 4.653 1.00 0.00 N ATOM 822 CA GLU A 57 -7.126 -7.890 6.060 1.00 0.00 C ATOM 823 C GLU A 57 -6.099 -8.712 6.833 1.00 0.00 C ATOM 824 O GLU A 57 -6.108 -9.942 6.784 1.00 0.00 O ATOM 825 CB GLU A 57 -8.513 -8.522 6.202 1.00 0.00 C ATOM 826 CG GLU A 57 -9.181 -8.230 7.535 1.00 0.00 C ATOM 827 CD GLU A 57 -10.623 -8.696 7.579 1.00 0.00 C ATOM 828 OE1 GLU A 57 -11.379 -8.373 6.639 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.996 -9.383 8.553 1.00 0.00 O ATOM 0 H GLU A 57 -7.111 -8.544 4.068 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.148 -6.883 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.153 -8.159 5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.426 -9.601 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.621 -8.718 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.143 -7.158 7.729 1.00 0.00 H new ATOM 836 N LYS A 58 -5.213 -8.023 7.545 1.00 0.00 N ATOM 837 CA LYS A 58 -4.179 -8.687 8.329 1.00 0.00 C ATOM 838 C LYS A 58 -4.688 -10.010 8.892 1.00 0.00 C ATOM 839 O LYS A 58 -5.420 -10.035 9.881 1.00 0.00 O ATOM 840 CB LYS A 58 -3.714 -7.780 9.471 1.00 0.00 C ATOM 841 CG LYS A 58 -2.326 -8.115 9.987 1.00 0.00 C ATOM 842 CD LYS A 58 -1.244 -7.460 9.144 1.00 0.00 C ATOM 843 CE LYS A 58 0.136 -7.995 9.494 1.00 0.00 C ATOM 844 NZ LYS A 58 1.067 -7.929 8.333 1.00 0.00 N ATOM 0 H LYS A 58 -5.191 -7.004 7.595 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.335 -8.893 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.725 -6.745 9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.425 -7.852 10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.232 -7.785 11.022 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.187 -9.196 9.983 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.447 -7.637 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.266 -6.381 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.549 -7.421 10.324 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.050 -9.028 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.997 -8.303 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.686 -8.498 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.169 -6.941 8.026 1.00 0.00 H new ATOM 858 N GLY A 59 -4.295 -11.110 8.256 1.00 0.00 N ATOM 859 CA GLY A 59 -4.720 -12.421 8.709 1.00 0.00 C ATOM 860 C GLY A 59 -5.327 -13.251 7.596 1.00 0.00 C ATOM 861 O GLY A 59 -5.740 -14.391 7.813 1.00 0.00 O ATOM 0 H GLY A 59 -3.690 -11.116 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.865 -12.952 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.449 -12.306 9.511 1.00 0.00 H new ATOM 865 N THR A 60 -5.385 -12.678 6.397 1.00 0.00 N ATOM 866 CA THR A 60 -5.948 -13.371 5.245 1.00 0.00 C ATOM 867 C THR A 60 -4.852 -13.851 4.301 1.00 0.00 C ATOM 868 O THR A 60 -5.022 -14.840 3.589 1.00 0.00 O ATOM 869 CB THR A 60 -6.921 -12.466 4.466 1.00 0.00 C ATOM 870 OG1 THR A 60 -7.463 -11.465 5.336 1.00 0.00 O ATOM 871 CG2 THR A 60 -8.052 -13.282 3.859 1.00 0.00 C ATOM 0 H THR A 60 -5.049 -11.736 6.199 1.00 0.00 H new ATOM 0 HA THR A 60 -6.493 -14.232 5.630 1.00 0.00 H new ATOM 0 HB THR A 60 -6.367 -11.985 3.659 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.775 -10.796 5.534 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.726 -12.621 3.314 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.639 -14.023 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.603 -13.787 4.652 1.00 0.00 H new ATOM 879 N ASP A 61 -3.727 -13.144 4.301 1.00 0.00 N ATOM 880 CA ASP A 61 -2.601 -13.499 3.445 1.00 0.00 C ATOM 881 C ASP A 61 -2.990 -13.412 1.972 1.00 0.00 C ATOM 882 O ASP A 61 -2.395 -14.075 1.122 1.00 0.00 O ATOM 883 CB ASP A 61 -2.109 -14.910 3.773 1.00 0.00 C ATOM 884 CG ASP A 61 -1.525 -15.010 5.168 1.00 0.00 C ATOM 885 OD1 ASP A 61 -2.208 -14.598 6.129 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.384 -15.500 5.299 1.00 0.00 O ATOM 0 H ASP A 61 -3.571 -12.322 4.884 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.795 -12.789 3.632 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.938 -15.612 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.355 -15.207 3.044 1.00 0.00 H new ATOM 891 N LYS A 62 -3.991 -12.590 1.678 1.00 0.00 N ATOM 892 CA LYS A 62 -4.460 -12.415 0.308 1.00 0.00 C ATOM 893 C LYS A 62 -4.344 -10.957 -0.124 1.00 0.00 C ATOM 894 O LYS A 62 -5.348 -10.260 -0.264 1.00 0.00 O ATOM 895 CB LYS A 62 -5.912 -12.881 0.181 1.00 0.00 C ATOM 896 CG LYS A 62 -6.249 -13.457 -1.184 1.00 0.00 C ATOM 897 CD LYS A 62 -5.710 -12.585 -2.305 1.00 0.00 C ATOM 898 CE LYS A 62 -6.071 -13.148 -3.672 1.00 0.00 C ATOM 899 NZ LYS A 62 -5.270 -12.521 -4.759 1.00 0.00 N ATOM 0 H LYS A 62 -4.494 -12.034 2.370 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.832 -13.021 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.111 -13.634 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.574 -12.039 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.832 -14.460 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.330 -13.552 -1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.112 -11.576 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.626 -12.506 -2.217 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.907 -14.226 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.132 -12.986 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.545 -12.931 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.445 -11.496 -4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.259 -12.697 -4.591 1.00 0.00 H new ATOM 913 N GLU A 63 -3.112 -10.504 -0.336 1.00 0.00 N ATOM 914 CA GLU A 63 -2.866 -9.129 -0.754 1.00 0.00 C ATOM 915 C GLU A 63 -3.513 -8.847 -2.107 1.00 0.00 C ATOM 916 O GLU A 63 -3.579 -9.723 -2.968 1.00 0.00 O ATOM 917 CB GLU A 63 -1.362 -8.856 -0.829 1.00 0.00 C ATOM 918 CG GLU A 63 -1.010 -7.378 -0.810 1.00 0.00 C ATOM 919 CD GLU A 63 -0.794 -6.848 0.594 1.00 0.00 C ATOM 920 OE1 GLU A 63 0.355 -6.909 1.081 1.00 0.00 O ATOM 921 OE2 GLU A 63 -1.773 -6.372 1.206 1.00 0.00 O ATOM 0 H GLU A 63 -2.270 -11.069 -0.225 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.312 -8.466 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.870 -9.349 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.965 -9.304 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.107 -7.216 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.809 -6.812 -1.289 1.00 0.00 H new ATOM 928 N GLN A 64 -3.988 -7.619 -2.285 1.00 0.00 N ATOM 929 CA GLN A 64 -4.631 -7.222 -3.532 1.00 0.00 C ATOM 930 C GLN A 64 -3.982 -5.965 -4.103 1.00 0.00 C ATOM 931 O GLN A 64 -3.049 -5.416 -3.517 1.00 0.00 O ATOM 932 CB GLN A 64 -6.125 -6.981 -3.306 1.00 0.00 C ATOM 933 CG GLN A 64 -6.949 -8.258 -3.278 1.00 0.00 C ATOM 934 CD GLN A 64 -8.345 -8.039 -2.729 1.00 0.00 C ATOM 935 OE1 GLN A 64 -9.062 -7.138 -3.164 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.739 -8.865 -1.766 1.00 0.00 N ATOM 0 H GLN A 64 -3.940 -6.882 -1.582 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.505 -8.032 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.261 -6.450 -2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.503 -6.331 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.019 -8.663 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.436 -9.004 -2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.112 -9.598 -1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.668 -8.766 -1.358 1.00 0.00 H new ATOM 945 N ASP A 65 -4.482 -5.516 -5.249 1.00 0.00 N ATOM 946 CA ASP A 65 -3.951 -4.324 -5.900 1.00 0.00 C ATOM 947 C ASP A 65 -5.052 -3.576 -6.645 1.00 0.00 C ATOM 948 O ASP A 65 -5.912 -4.187 -7.280 1.00 0.00 O ATOM 949 CB ASP A 65 -2.828 -4.702 -6.867 1.00 0.00 C ATOM 950 CG ASP A 65 -3.235 -5.805 -7.824 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.416 -5.835 -8.227 1.00 0.00 O ATOM 952 OD2 ASP A 65 -2.372 -6.640 -8.168 1.00 0.00 O ATOM 0 H ASP A 65 -5.254 -5.959 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.549 -3.667 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.532 -3.821 -7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.955 -5.022 -6.298 1.00 0.00 H new ATOM 957 N VAL A 66 -5.019 -2.250 -6.564 1.00 0.00 N ATOM 958 CA VAL A 66 -6.014 -1.418 -7.231 1.00 0.00 C ATOM 959 C VAL A 66 -5.355 -0.259 -7.969 1.00 0.00 C ATOM 960 O VAL A 66 -4.519 0.452 -7.410 1.00 0.00 O ATOM 961 CB VAL A 66 -7.040 -0.857 -6.228 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.585 -1.968 -5.344 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.414 0.246 -5.387 1.00 0.00 C ATOM 0 H VAL A 66 -4.314 -1.728 -6.043 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.530 -2.056 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.872 -0.429 -6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.308 -1.553 -4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.072 -2.721 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.766 -2.428 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.153 0.631 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.563 -0.155 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.077 1.053 -6.038 1.00 0.00 H new ATOM 973 N ASP A 67 -5.736 -0.073 -9.228 1.00 0.00 N ATOM 974 CA ASP A 67 -5.184 1.002 -10.044 1.00 0.00 C ATOM 975 C ASP A 67 -5.666 2.362 -9.550 1.00 0.00 C ATOM 976 O ASP A 67 -6.868 2.625 -9.497 1.00 0.00 O ATOM 977 CB ASP A 67 -5.574 0.810 -11.510 1.00 0.00 C ATOM 978 CG ASP A 67 -6.912 1.442 -11.840 1.00 0.00 C ATOM 979 OD1 ASP A 67 -7.923 1.045 -11.224 1.00 0.00 O ATOM 980 OD2 ASP A 67 -6.949 2.332 -12.716 1.00 0.00 O ATOM 0 H ASP A 67 -6.425 -0.653 -9.706 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.098 0.969 -9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.804 1.243 -12.148 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.613 -0.256 -11.736 1.00 0.00 H new ATOM 985 N VAL A 68 -4.721 3.224 -9.188 1.00 0.00 N ATOM 986 CA VAL A 68 -5.049 4.558 -8.698 1.00 0.00 C ATOM 987 C VAL A 68 -4.446 5.635 -9.592 1.00 0.00 C ATOM 988 O VAL A 68 -3.452 5.402 -10.279 1.00 0.00 O ATOM 989 CB VAL A 68 -4.551 4.764 -7.255 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.889 6.165 -6.769 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.145 3.712 -6.331 1.00 0.00 C ATOM 0 H VAL A 68 -3.722 3.022 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.136 4.643 -8.714 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.467 4.653 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.530 6.292 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.411 6.900 -7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.969 6.308 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.782 3.873 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.232 3.788 -6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.847 2.720 -6.670 1.00 0.00 H new ATOM 1001 N SER A 69 -5.054 6.817 -9.577 1.00 0.00 N ATOM 1002 CA SER A 69 -4.579 7.931 -10.389 1.00 0.00 C ATOM 1003 C SER A 69 -4.112 9.085 -9.507 1.00 0.00 C ATOM 1004 O SER A 69 -3.148 9.779 -9.833 1.00 0.00 O ATOM 1005 CB SER A 69 -5.685 8.411 -11.332 1.00 0.00 C ATOM 1006 OG SER A 69 -5.246 9.505 -12.117 1.00 0.00 O ATOM 0 H SER A 69 -5.876 7.028 -9.012 1.00 0.00 H new ATOM 0 HA SER A 69 -3.733 7.582 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.993 7.593 -11.983 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.560 8.704 -10.752 1.00 0.00 H new ATOM 0 HG SER A 69 -5.970 9.792 -12.712 1.00 0.00 H new ATOM 1012 N SER A 70 -4.801 9.284 -8.389 1.00 0.00 N ATOM 1013 CA SER A 70 -4.460 10.356 -7.461 1.00 0.00 C ATOM 1014 C SER A 70 -3.444 9.878 -6.429 1.00 0.00 C ATOM 1015 O SER A 70 -3.218 8.678 -6.272 1.00 0.00 O ATOM 1016 CB SER A 70 -5.718 10.869 -6.756 1.00 0.00 C ATOM 1017 OG SER A 70 -5.571 12.225 -6.374 1.00 0.00 O ATOM 0 H SER A 70 -5.599 8.717 -8.103 1.00 0.00 H new ATOM 0 HA SER A 70 -4.015 11.170 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.578 10.766 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.919 10.259 -5.875 1.00 0.00 H new ATOM 0 HG SER A 70 -6.388 12.529 -5.927 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.833 10.827 -5.726 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.840 10.503 -4.707 1.00 0.00 C ATOM 1025 C HIS A 71 -2.495 9.831 -3.504 1.00 0.00 C ATOM 1026 O HIS A 71 -1.843 9.100 -2.758 1.00 0.00 O ATOM 1027 CB HIS A 71 -1.105 11.768 -4.262 1.00 0.00 C ATOM 1028 CG HIS A 71 -0.042 12.212 -5.220 1.00 0.00 C ATOM 1029 ND1 HIS A 71 -0.036 13.457 -5.812 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.053 11.569 -5.687 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.017 13.560 -6.604 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.695 12.428 -6.545 1.00 0.00 N ATOM 0 H HIS A 71 -3.008 11.825 -5.843 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.122 9.808 -5.142 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.829 12.573 -4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.652 11.591 -3.286 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.735 14.185 -5.662 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.364 10.567 -5.432 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.279 14.423 -7.198 1.00 0.00 H new ATOM 1041 N SER A 72 -3.786 10.086 -3.321 1.00 0.00 N ATOM 1042 CA SER A 72 -4.528 9.509 -2.206 1.00 0.00 C ATOM 1043 C SER A 72 -5.756 8.752 -2.703 1.00 0.00 C ATOM 1044 O SER A 72 -6.431 9.187 -3.637 1.00 0.00 O ATOM 1045 CB SER A 72 -4.953 10.605 -1.227 1.00 0.00 C ATOM 1046 OG SER A 72 -6.072 11.323 -1.719 1.00 0.00 O ATOM 0 H SER A 72 -4.340 10.688 -3.930 1.00 0.00 H new ATOM 0 HA SER A 72 -3.873 8.806 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.198 10.160 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.122 11.290 -1.060 1.00 0.00 H new ATOM 0 HG SER A 72 -6.325 12.016 -1.074 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.039 7.617 -2.073 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.183 6.798 -2.452 1.00 0.00 C ATOM 1054 C TYR A 73 -7.911 6.274 -1.218 1.00 0.00 C ATOM 1055 O TYR A 73 -7.287 5.930 -0.213 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.731 5.627 -3.327 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.871 4.765 -3.822 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.326 3.685 -3.076 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.492 5.031 -5.036 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.366 2.895 -3.525 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.534 4.247 -5.492 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.968 3.180 -4.733 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.004 2.396 -5.184 1.00 0.00 O ATOM 0 H TYR A 73 -5.491 7.244 -1.298 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.872 7.423 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.182 6.016 -4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.038 5.007 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.859 3.459 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.154 5.865 -5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.706 2.058 -2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.006 4.468 -6.438 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.316 2.733 -6.050 1.00 0.00 H new ATOM 1073 N THR A 74 -9.237 6.214 -1.301 1.00 0.00 N ATOM 1074 CA THR A 74 -10.051 5.733 -0.193 1.00 0.00 C ATOM 1075 C THR A 74 -10.721 4.407 -0.537 1.00 0.00 C ATOM 1076 O THR A 74 -11.416 4.297 -1.548 1.00 0.00 O ATOM 1077 CB THR A 74 -11.134 6.757 0.194 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.533 8.028 0.465 1.00 0.00 O ATOM 1079 CG2 THR A 74 -11.911 6.288 1.415 1.00 0.00 C ATOM 0 H THR A 74 -9.769 6.493 -2.125 1.00 0.00 H new ATOM 0 HA THR A 74 -9.379 5.588 0.653 1.00 0.00 H new ATOM 0 HB THR A 74 -11.826 6.854 -0.643 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.281 8.076 1.411 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.670 7.028 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.392 5.335 1.196 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.228 6.165 2.256 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.509 3.405 0.308 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.094 2.087 0.093 1.00 0.00 C ATOM 1089 C ILE A 75 -12.343 1.895 0.946 1.00 0.00 C ATOM 1090 O ILE A 75 -12.351 2.214 2.135 1.00 0.00 O ATOM 1091 CB ILE A 75 -10.089 0.965 0.414 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.930 0.989 -0.584 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.783 -0.388 0.397 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.702 0.247 -0.102 1.00 0.00 C ATOM 0 H ILE A 75 -9.936 3.480 1.149 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.364 2.030 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.687 1.132 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.263 0.552 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.661 2.025 -0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.060 -1.171 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.577 -0.399 1.143 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -11.210 -0.566 -0.590 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.921 0.306 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.344 0.698 0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.955 -0.798 0.078 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.398 1.370 0.332 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.653 1.133 1.035 1.00 0.00 C ATOM 1108 C ASN A 76 -14.994 -0.354 1.055 1.00 0.00 C ATOM 1109 O ASN A 76 -14.508 -1.124 0.227 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.788 1.919 0.375 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.303 3.203 -0.269 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.253 3.316 -1.493 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.944 4.180 0.557 1.00 0.00 N ATOM 0 H ASN A 76 -13.409 1.100 -0.652 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.534 1.474 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.267 1.295 -0.380 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.546 2.154 1.122 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.610 5.068 0.182 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.002 4.042 1.566 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.833 -0.751 2.007 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.225 -2.144 2.116 1.00 0.00 C ATOM 1122 C GLY A 77 -15.272 -2.949 2.978 1.00 0.00 C ATOM 1123 O GLY A 77 -14.710 -3.948 2.528 1.00 0.00 O ATOM 0 H GLY A 77 -16.248 -0.133 2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.229 -2.204 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.270 -2.585 1.120 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.087 -2.512 4.219 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.193 -3.198 5.145 1.00 0.00 C ATOM 1129 C LEU A 78 -14.894 -3.481 6.470 1.00 0.00 C ATOM 1130 O LEU A 78 -15.917 -2.873 6.786 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.937 -2.358 5.389 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.278 -1.760 4.146 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.243 -0.718 4.540 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.641 -2.855 3.302 1.00 0.00 C ATOM 0 H LEU A 78 -15.544 -1.687 4.607 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.906 -4.149 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.195 -1.544 6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.203 -2.979 5.902 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.048 -1.270 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.784 -0.303 3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.727 0.081 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.475 -1.183 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.177 -2.412 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.883 -3.373 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.406 -3.565 2.990 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.337 -4.407 7.243 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.906 -4.769 8.535 1.00 0.00 C ATOM 1148 C LYS A 79 -14.649 -3.677 9.568 1.00 0.00 C ATOM 1149 O LYS A 79 -13.946 -2.703 9.296 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.316 -6.095 9.021 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.059 -7.316 8.508 1.00 0.00 C ATOM 1152 CD LYS A 79 -16.212 -7.692 9.423 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.731 -8.481 10.631 1.00 0.00 C ATOM 1154 NZ LYS A 79 -16.865 -8.965 11.466 1.00 0.00 N ATOM 0 H LYS A 79 -13.491 -4.921 6.996 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.983 -4.881 8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.274 -6.156 8.707 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.322 -6.108 10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.439 -7.118 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.369 -8.156 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.722 -6.789 9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.941 -8.283 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.138 -9.332 10.296 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.076 -7.854 11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.495 -9.498 12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.417 -8.152 11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.477 -9.584 10.896 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.220 -3.845 10.756 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.051 -2.876 11.832 1.00 0.00 C ATOM 1170 C LYS A 80 -14.086 -3.400 12.890 1.00 0.00 C ATOM 1171 O LYS A 80 -14.139 -4.571 13.267 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.403 -2.555 12.473 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.475 -2.165 11.471 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.279 -3.372 11.017 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.067 -3.072 9.750 1.00 0.00 C ATOM 1176 NZ LYS A 80 -19.969 -4.197 9.379 1.00 0.00 N ATOM 0 H LYS A 80 -15.805 -4.645 10.998 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.633 -1.965 11.405 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.743 -3.424 13.037 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.273 -1.742 13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.143 -1.429 11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.011 -1.690 10.607 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.607 -4.212 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.964 -3.674 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.656 -2.166 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.376 -2.875 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.488 -3.954 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.405 -5.055 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.645 -4.369 10.150 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.206 -2.526 13.365 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.228 -2.902 14.379 1.00 0.00 C ATOM 1192 C TYR A 81 -11.336 -4.036 13.883 1.00 0.00 C ATOM 1193 O TYR A 81 -11.065 -4.993 14.609 1.00 0.00 O ATOM 1194 CB TYR A 81 -12.935 -3.322 15.669 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.105 -3.102 16.914 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.693 -1.828 17.282 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.734 -4.170 17.722 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.934 -1.623 18.418 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.977 -3.974 18.861 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.578 -2.699 19.204 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.824 -2.499 20.337 1.00 0.00 O ATOM 0 H TYR A 81 -13.150 -1.553 13.064 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.601 -2.033 14.582 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.867 -2.764 15.761 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.200 -4.377 15.601 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.971 -0.983 16.670 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.043 -5.170 17.455 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.621 -0.626 18.689 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.699 -4.815 19.479 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.661 -3.359 20.778 1.00 0.00 H new ATOM 1211 N THR A 82 -10.880 -3.920 12.639 1.00 0.00 N ATOM 1212 CA THR A 82 -10.019 -4.934 12.043 1.00 0.00 C ATOM 1213 C THR A 82 -8.786 -4.303 11.407 1.00 0.00 C ATOM 1214 O THR A 82 -8.863 -3.224 10.821 1.00 0.00 O ATOM 1215 CB THR A 82 -10.771 -5.754 10.977 1.00 0.00 C ATOM 1216 OG1 THR A 82 -11.780 -6.558 11.599 1.00 0.00 O ATOM 1217 CG2 THR A 82 -9.811 -6.644 10.203 1.00 0.00 C ATOM 0 H THR A 82 -11.093 -3.134 12.025 1.00 0.00 H new ATOM 0 HA THR A 82 -9.709 -5.599 12.849 1.00 0.00 H new ATOM 0 HB THR A 82 -11.240 -5.060 10.280 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.254 -7.075 10.915 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.364 -7.213 9.456 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.062 -6.027 9.707 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.317 -7.331 10.890 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.651 -4.984 11.526 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.401 -4.489 10.961 1.00 0.00 C ATOM 1227 C GLU A 83 -6.376 -4.676 9.447 1.00 0.00 C ATOM 1228 O GLU A 83 -7.010 -5.586 8.913 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.208 -5.208 11.595 1.00 0.00 C ATOM 1230 CG GLU A 83 -3.950 -4.359 11.660 1.00 0.00 C ATOM 1231 CD GLU A 83 -2.869 -4.983 12.522 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -2.870 -4.734 13.746 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.023 -5.719 11.973 1.00 0.00 O ATOM 0 H GLU A 83 -7.571 -5.879 12.008 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.331 -3.423 11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.477 -5.521 12.604 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.996 -6.113 11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.564 -4.210 10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.201 -3.374 12.054 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.640 -3.809 8.762 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.534 -3.876 7.309 1.00 0.00 C ATOM 1242 C TYR A 84 -4.167 -3.386 6.839 1.00 0.00 C ATOM 1243 O TYR A 84 -3.741 -2.282 7.178 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.639 -3.043 6.657 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.014 -3.657 6.784 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.395 -4.729 5.985 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.934 -3.166 7.703 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.651 -5.292 6.097 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.192 -3.724 7.822 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.546 -4.787 7.017 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.798 -5.346 7.133 1.00 0.00 O ATOM 0 H TYR A 84 -5.108 -3.051 9.189 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.649 -4.918 7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.650 -2.051 7.109 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.406 -2.909 5.601 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.697 -5.128 5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.661 -2.334 8.335 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.931 -6.124 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.895 -3.330 8.541 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.739 -6.313 6.986 1.00 0.00 H new ATOM 1261 N SER A 85 -3.486 -4.215 6.056 1.00 0.00 N ATOM 1262 CA SER A 85 -2.166 -3.869 5.540 1.00 0.00 C ATOM 1263 C SER A 85 -2.281 -3.073 4.244 1.00 0.00 C ATOM 1264 O SER A 85 -3.194 -3.290 3.447 1.00 0.00 O ATOM 1265 CB SER A 85 -1.340 -5.135 5.303 1.00 0.00 C ATOM 1266 OG SER A 85 0.047 -4.867 5.417 1.00 0.00 O ATOM 0 H SER A 85 -3.826 -5.131 5.764 1.00 0.00 H new ATOM 0 HA SER A 85 -1.663 -3.250 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.626 -5.900 6.024 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.556 -5.534 4.312 1.00 0.00 H new ATOM 0 HG SER A 85 0.363 -5.148 6.301 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.347 -2.149 4.040 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.342 -1.319 2.842 1.00 0.00 C ATOM 1274 C PHE A 86 0.084 -1.053 2.370 1.00 0.00 C ATOM 1275 O PHE A 86 0.975 -0.779 3.174 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.057 0.007 3.111 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.522 -0.151 3.404 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.431 -0.343 2.376 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.991 -0.107 4.707 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.779 -0.488 2.642 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.338 -0.251 4.980 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.233 -0.443 3.946 1.00 0.00 C ATOM 0 H PHE A 86 -0.584 -1.957 4.689 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.872 -1.857 2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.578 0.505 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.936 0.658 2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.082 -0.380 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.295 0.042 5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.477 -0.636 1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.690 -0.213 6.000 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.286 -0.558 4.156 1.00 0.00 H new ATOM 1292 N ARG A 87 0.293 -1.137 1.060 1.00 0.00 N ATOM 1293 CA ARG A 87 1.610 -0.908 0.480 1.00 0.00 C ATOM 1294 C ARG A 87 1.492 -0.311 -0.919 1.00 0.00 C ATOM 1295 O ARG A 87 0.711 -0.785 -1.744 1.00 0.00 O ATOM 1296 CB ARG A 87 2.400 -2.217 0.422 1.00 0.00 C ATOM 1297 CG ARG A 87 1.762 -3.275 -0.463 1.00 0.00 C ATOM 1298 CD ARG A 87 2.725 -4.417 -0.749 1.00 0.00 C ATOM 1299 NE ARG A 87 2.089 -5.493 -1.504 1.00 0.00 N ATOM 1300 CZ ARG A 87 2.762 -6.382 -2.225 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.085 -6.324 -2.289 1.00 0.00 N ATOM 1302 NH2 ARG A 87 2.112 -7.333 -2.885 1.00 0.00 N ATOM 0 H ARG A 87 -0.434 -1.362 0.380 1.00 0.00 H new ATOM 0 HA ARG A 87 2.140 -0.199 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.406 -2.009 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.503 -2.614 1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.867 -3.665 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.444 -2.822 -1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.581 -4.038 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.109 -4.812 0.192 1.00 0.00 H new ATOM 0 HE ARG A 87 1.072 -5.566 -1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.589 -5.595 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.599 -7.008 -2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.094 -7.381 -2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.630 -8.015 -3.438 1.00 0.00 H new ATOM 1316 N VAL A 88 2.273 0.733 -1.180 1.00 0.00 N ATOM 1317 CA VAL A 88 2.257 1.395 -2.479 1.00 0.00 C ATOM 1318 C VAL A 88 3.468 0.996 -3.314 1.00 0.00 C ATOM 1319 O VAL A 88 4.560 0.786 -2.784 1.00 0.00 O ATOM 1320 CB VAL A 88 2.233 2.927 -2.327 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.353 3.600 -3.686 1.00 0.00 C ATOM 1322 CG2 VAL A 88 0.967 3.372 -1.613 1.00 0.00 C ATOM 0 H VAL A 88 2.925 1.138 -0.508 1.00 0.00 H new ATOM 0 HA VAL A 88 1.348 1.074 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 88 3.088 3.228 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.334 4.682 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.292 3.306 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.519 3.294 -4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.967 4.458 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.096 3.060 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.929 2.918 -0.623 1.00 0.00 H new ATOM 1332 N VAL A 89 3.269 0.894 -4.624 1.00 0.00 N ATOM 1333 CA VAL A 89 4.345 0.521 -5.534 1.00 0.00 C ATOM 1334 C VAL A 89 4.329 1.388 -6.788 1.00 0.00 C ATOM 1335 O VAL A 89 3.271 1.656 -7.356 1.00 0.00 O ATOM 1336 CB VAL A 89 4.245 -0.959 -5.946 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.437 -1.357 -6.804 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.143 -1.848 -4.716 1.00 0.00 C ATOM 0 H VAL A 89 2.372 1.065 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 89 5.281 0.678 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 89 3.340 -1.093 -6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.349 -2.406 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.460 -0.741 -7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.357 -1.209 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.073 -2.891 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.028 -1.712 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.254 -1.579 -4.145 1.00 0.00 H new ATOM 1348 N ALA A 90 5.510 1.824 -7.215 1.00 0.00 N ATOM 1349 CA ALA A 90 5.632 2.659 -8.404 1.00 0.00 C ATOM 1350 C ALA A 90 5.751 1.807 -9.663 1.00 0.00 C ATOM 1351 O ALA A 90 6.529 0.854 -9.708 1.00 0.00 O ATOM 1352 CB ALA A 90 6.832 3.586 -8.276 1.00 0.00 C ATOM 0 H ALA A 90 6.396 1.613 -6.755 1.00 0.00 H new ATOM 0 HA ALA A 90 4.728 3.262 -8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.912 4.204 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.706 4.226 -7.403 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.739 2.993 -8.163 1.00 0.00 H new ATOM 1358 N TYR A 91 4.975 2.157 -10.683 1.00 0.00 N ATOM 1359 CA TYR A 91 4.991 1.422 -11.942 1.00 0.00 C ATOM 1360 C TYR A 91 5.327 2.347 -13.108 1.00 0.00 C ATOM 1361 O TYR A 91 4.561 3.251 -13.438 1.00 0.00 O ATOM 1362 CB TYR A 91 3.638 0.750 -12.183 1.00 0.00 C ATOM 1363 CG TYR A 91 3.531 -0.630 -11.575 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.142 -0.801 -10.252 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.818 -1.765 -12.325 1.00 0.00 C ATOM 1366 CE1 TYR A 91 3.044 -2.060 -9.694 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.720 -3.028 -11.775 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.334 -3.171 -10.459 1.00 0.00 C ATOM 1369 OH TYR A 91 3.235 -4.427 -9.906 1.00 0.00 O ATOM 0 H TYR A 91 4.327 2.945 -10.662 1.00 0.00 H new ATOM 0 HA TYR A 91 5.763 0.655 -11.876 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.850 1.381 -11.772 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.463 0.680 -13.257 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.912 0.066 -9.650 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.123 -1.657 -13.355 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.742 -2.175 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.945 -3.899 -12.373 1.00 0.00 H new ATOM 0 HH TYR A 91 3.472 -5.100 -10.578 1.00 0.00 H new ATOM 1379 N ASN A 92 6.479 2.112 -13.728 1.00 0.00 N ATOM 1380 CA ASN A 92 6.918 2.923 -14.858 1.00 0.00 C ATOM 1381 C ASN A 92 7.243 2.046 -16.064 1.00 0.00 C ATOM 1382 O ASN A 92 7.570 0.868 -15.919 1.00 0.00 O ATOM 1383 CB ASN A 92 8.144 3.753 -14.472 1.00 0.00 C ATOM 1384 CG ASN A 92 9.311 2.890 -14.034 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.159 1.690 -13.805 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.485 3.499 -13.915 1.00 0.00 N ATOM 0 H ASN A 92 7.125 1.367 -13.467 1.00 0.00 H new ATOM 0 HA ASN A 92 6.103 3.595 -15.128 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.447 4.365 -15.321 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.878 4.436 -13.665 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.307 2.970 -13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.565 4.496 -14.115 1.00 0.00 H new ATOM 1393 N LYS A 93 7.153 2.629 -17.254 1.00 0.00 N ATOM 1394 CA LYS A 93 7.439 1.903 -18.486 1.00 0.00 C ATOM 1395 C LYS A 93 8.570 0.901 -18.277 1.00 0.00 C ATOM 1396 O LYS A 93 8.576 -0.177 -18.871 1.00 0.00 O ATOM 1397 CB LYS A 93 7.809 2.880 -19.604 1.00 0.00 C ATOM 1398 CG LYS A 93 8.964 3.801 -19.249 1.00 0.00 C ATOM 1399 CD LYS A 93 9.066 4.967 -20.219 1.00 0.00 C ATOM 1400 CE LYS A 93 9.704 6.182 -19.564 1.00 0.00 C ATOM 1401 NZ LYS A 93 9.868 7.308 -20.525 1.00 0.00 N ATOM 0 H LYS A 93 6.884 3.603 -17.392 1.00 0.00 H new ATOM 0 HA LYS A 93 6.541 1.356 -18.773 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.068 2.314 -20.499 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.936 3.484 -19.851 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.830 4.180 -18.236 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.896 3.237 -19.258 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.654 4.669 -21.087 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.072 5.228 -20.582 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.089 6.507 -18.725 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.677 5.907 -19.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.306 8.117 -20.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.476 7.006 -21.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.937 7.588 -20.894 1.00 0.00 H new ATOM 1415 N HIS A 94 9.526 1.264 -17.427 1.00 0.00 N ATOM 1416 CA HIS A 94 10.662 0.395 -17.138 1.00 0.00 C ATOM 1417 C HIS A 94 10.210 -0.861 -16.399 1.00 0.00 C ATOM 1418 O HIS A 94 10.456 -1.980 -16.848 1.00 0.00 O ATOM 1419 CB HIS A 94 11.704 1.143 -16.307 1.00 0.00 C ATOM 1420 CG HIS A 94 11.991 2.525 -16.809 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.146 2.855 -17.486 1.00 0.00 N ATOM 1422 CD2 HIS A 94 11.264 3.664 -16.731 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.118 4.138 -17.800 1.00 0.00 C ATOM 1424 NE2 HIS A 94 11.986 4.652 -17.354 1.00 0.00 N ATOM 0 H HIS A 94 9.537 2.153 -16.927 1.00 0.00 H new ATOM 0 HA HIS A 94 11.111 0.096 -18.085 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.358 1.205 -15.275 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.630 0.569 -16.299 1.00 0.00 H new ATOM 0 HD1 HIS A 94 13.904 2.210 -17.709 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.296 3.775 -16.265 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.890 4.675 -18.331 1.00 0.00 H new ATOM 1433 N GLY A 95 9.549 -0.667 -15.262 1.00 0.00 N ATOM 1434 CA GLY A 95 9.076 -1.793 -14.478 1.00 0.00 C ATOM 1435 C GLY A 95 8.837 -1.430 -13.026 1.00 0.00 C ATOM 1436 O GLY A 95 9.268 -0.380 -12.548 1.00 0.00 O ATOM 0 H GLY A 95 9.333 0.249 -14.870 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.150 -2.170 -14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.806 -2.601 -14.532 1.00 0.00 H new ATOM 1440 N PRO A 96 8.134 -2.311 -12.299 1.00 0.00 N ATOM 1441 CA PRO A 96 7.822 -2.098 -10.882 1.00 0.00 C ATOM 1442 C PRO A 96 9.058 -2.204 -9.995 1.00 0.00 C ATOM 1443 O PRO A 96 9.666 -3.267 -9.885 1.00 0.00 O ATOM 1444 CB PRO A 96 6.837 -3.225 -10.563 1.00 0.00 C ATOM 1445 CG PRO A 96 7.148 -4.293 -11.554 1.00 0.00 C ATOM 1446 CD PRO A 96 7.589 -3.582 -12.804 1.00 0.00 C ATOM 0 HA PRO A 96 7.424 -1.100 -10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.964 -3.584 -9.542 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.805 -2.887 -10.656 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.932 -4.953 -11.183 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.273 -4.914 -11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.341 -4.154 -13.348 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.757 -3.419 -13.488 1.00 0.00 H new ATOM 1454 N GLY A 97 9.423 -1.093 -9.362 1.00 0.00 N ATOM 1455 CA GLY A 97 10.584 -1.082 -8.492 1.00 0.00 C ATOM 1456 C GLY A 97 10.324 -1.776 -7.169 1.00 0.00 C ATOM 1457 O GLY A 97 9.658 -2.810 -7.123 1.00 0.00 O ATOM 0 H GLY A 97 8.935 -0.200 -9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.417 -1.570 -8.997 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.884 -0.051 -8.305 1.00 0.00 H new ATOM 1461 N VAL A 98 10.851 -1.206 -6.090 1.00 0.00 N ATOM 1462 CA VAL A 98 10.672 -1.775 -4.760 1.00 0.00 C ATOM 1463 C VAL A 98 9.229 -1.635 -4.291 1.00 0.00 C ATOM 1464 O VAL A 98 8.373 -1.140 -5.024 1.00 0.00 O ATOM 1465 CB VAL A 98 11.602 -1.104 -3.732 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.052 -1.191 -4.186 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.191 0.344 -3.509 1.00 0.00 C ATOM 0 H VAL A 98 11.406 -0.350 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 98 10.926 -2.833 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 98 11.511 -1.635 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.694 -0.712 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.338 -2.237 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.164 -0.686 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.858 0.803 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.252 0.889 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.167 0.378 -3.136 1.00 0.00 H new ATOM 1477 N SER A 99 8.965 -2.073 -3.064 1.00 0.00 N ATOM 1478 CA SER A 99 7.624 -1.999 -2.498 1.00 0.00 C ATOM 1479 C SER A 99 7.669 -1.489 -1.060 1.00 0.00 C ATOM 1480 O SER A 99 8.365 -2.047 -0.212 1.00 0.00 O ATOM 1481 CB SER A 99 6.952 -3.373 -2.543 1.00 0.00 C ATOM 1482 OG SER A 99 5.726 -3.364 -1.832 1.00 0.00 O ATOM 0 H SER A 99 9.663 -2.483 -2.443 1.00 0.00 H new ATOM 0 HA SER A 99 7.042 -1.298 -3.096 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.773 -3.660 -3.579 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.619 -4.122 -2.115 1.00 0.00 H new ATOM 0 HG SER A 99 5.765 -4.019 -1.104 1.00 0.00 H new ATOM 1488 N THR A 100 6.920 -0.424 -0.793 1.00 0.00 N ATOM 1489 CA THR A 100 6.874 0.164 0.540 1.00 0.00 C ATOM 1490 C THR A 100 6.597 -0.897 1.598 1.00 0.00 C ATOM 1491 O THR A 100 6.026 -1.952 1.320 1.00 0.00 O ATOM 1492 CB THR A 100 5.796 1.260 0.634 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.600 0.829 -0.025 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.287 2.557 0.007 1.00 0.00 C ATOM 0 H THR A 100 6.336 0.049 -1.483 1.00 0.00 H new ATOM 0 HA THR A 100 7.852 0.610 0.723 1.00 0.00 H new ATOM 0 HB THR A 100 5.584 1.441 1.688 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.695 0.957 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.509 3.316 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.181 2.898 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.524 2.387 -1.043 1.00 0.00 H new ATOM 1502 N PRO A 101 7.009 -0.614 2.843 1.00 0.00 N ATOM 1503 CA PRO A 101 6.814 -1.532 3.969 1.00 0.00 C ATOM 1504 C PRO A 101 5.349 -1.648 4.376 1.00 0.00 C ATOM 1505 O PRO A 101 4.662 -0.642 4.551 1.00 0.00 O ATOM 1506 CB PRO A 101 7.632 -0.892 5.094 1.00 0.00 C ATOM 1507 CG PRO A 101 7.682 0.556 4.749 1.00 0.00 C ATOM 1508 CD PRO A 101 7.696 0.624 3.247 1.00 0.00 C ATOM 0 HA PRO A 101 7.122 -2.548 3.724 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.163 -1.052 6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.633 -1.321 5.149 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.819 1.084 5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.571 1.027 5.169 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.177 1.510 2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.713 0.665 2.856 1.00 0.00 H new ATOM 1516 N ASP A 102 4.877 -2.881 4.524 1.00 0.00 N ATOM 1517 CA ASP A 102 3.493 -3.129 4.912 1.00 0.00 C ATOM 1518 C ASP A 102 3.033 -2.119 5.959 1.00 0.00 C ATOM 1519 O ASP A 102 3.714 -1.892 6.959 1.00 0.00 O ATOM 1520 CB ASP A 102 3.340 -4.551 5.455 1.00 0.00 C ATOM 1521 CG ASP A 102 4.148 -5.562 4.666 1.00 0.00 C ATOM 1522 OD1 ASP A 102 3.958 -5.641 3.434 1.00 0.00 O ATOM 1523 OD2 ASP A 102 4.969 -6.276 5.280 1.00 0.00 O ATOM 0 H ASP A 102 5.432 -3.725 4.381 1.00 0.00 H new ATOM 0 HA ASP A 102 2.868 -3.018 4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.654 -4.574 6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.288 -4.834 5.433 1.00 0.00 H new ATOM 1528 N VAL A 103 1.873 -1.514 5.720 1.00 0.00 N ATOM 1529 CA VAL A 103 1.322 -0.529 6.642 1.00 0.00 C ATOM 1530 C VAL A 103 0.002 -1.008 7.234 1.00 0.00 C ATOM 1531 O VAL A 103 -1.072 -0.679 6.732 1.00 0.00 O ATOM 1532 CB VAL A 103 1.097 0.827 5.945 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.438 1.814 6.897 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.412 1.379 5.417 1.00 0.00 C ATOM 0 H VAL A 103 1.298 -1.689 4.896 1.00 0.00 H new ATOM 0 HA VAL A 103 2.051 -0.402 7.442 1.00 0.00 H new ATOM 0 HB VAL A 103 0.428 0.674 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.287 2.766 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.525 1.419 7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.079 1.965 7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.234 2.337 4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.107 1.518 6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.838 0.679 4.699 1.00 0.00 H new ATOM 1544 N ALA A 104 0.090 -1.789 8.307 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.098 -2.312 8.970 1.00 0.00 C ATOM 1546 C ALA A 104 -1.783 -1.233 9.802 1.00 0.00 C ATOM 1547 O ALA A 104 -1.133 -0.518 10.565 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.733 -3.503 9.844 1.00 0.00 C ATOM 0 H ALA A 104 0.971 -2.073 8.735 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.798 -2.640 8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.630 -3.884 10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.296 -4.287 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.012 -3.192 10.600 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.098 -1.120 9.649 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.871 -0.128 10.387 1.00 0.00 C ATOM 1556 C VAL A 105 -5.223 -0.691 10.813 1.00 0.00 C ATOM 1557 O VAL A 105 -5.884 -1.392 10.047 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.098 1.144 9.548 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.276 0.958 8.604 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.314 2.347 10.454 1.00 0.00 C ATOM 0 H VAL A 105 -3.651 -1.703 9.021 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.292 0.129 11.274 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.207 1.326 8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.421 1.867 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.076 0.123 7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.176 0.751 9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.473 3.237 9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.188 2.177 11.083 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.436 2.490 11.084 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.628 -0.378 12.039 1.00 0.00 N ATOM 1571 CA ARG A 106 -6.901 -0.852 12.567 1.00 0.00 C ATOM 1572 C ARG A 106 -8.009 0.167 12.315 1.00 0.00 C ATOM 1573 O ARG A 106 -7.844 1.358 12.581 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.783 -1.132 14.067 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.882 -2.032 14.607 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.721 -2.274 16.099 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.630 -3.201 16.389 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.095 -3.354 17.595 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -6.549 -2.645 18.619 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.105 -4.218 17.779 1.00 0.00 N ATOM 0 H ARG A 106 -5.093 0.202 12.685 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.157 -1.777 12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.816 -1.594 14.267 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.802 -0.185 14.607 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.854 -1.577 14.414 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.865 -2.985 14.079 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.534 -1.325 16.602 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.652 -2.671 16.504 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.258 -3.762 15.623 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.311 -1.981 18.482 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.137 -2.764 19.544 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.754 -4.766 16.994 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.695 -4.334 18.706 1.00 0.00 H new ATOM 1594 N THR A 107 -9.138 -0.309 11.799 1.00 0.00 N ATOM 1595 CA THR A 107 -10.271 0.560 11.509 1.00 0.00 C ATOM 1596 C THR A 107 -11.008 0.947 12.786 1.00 0.00 C ATOM 1597 O THR A 107 -10.716 0.429 13.865 1.00 0.00 O ATOM 1598 CB THR A 107 -11.263 -0.114 10.542 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.492 -1.469 10.942 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.733 -0.083 9.116 1.00 0.00 C ATOM 0 H THR A 107 -9.292 -1.292 11.573 1.00 0.00 H new ATOM 0 HA THR A 107 -9.869 1.457 11.038 1.00 0.00 H new ATOM 0 HB THR A 107 -12.202 0.438 10.576 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.255 -1.832 10.446 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.450 -0.564 8.451 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.587 0.951 8.805 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.782 -0.614 9.070 1.00 0.00 H new ATOM 1608 N LEU A 108 -11.965 1.859 12.658 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.746 2.316 13.803 1.00 0.00 C ATOM 1610 C LEU A 108 -13.809 1.289 14.181 1.00 0.00 C ATOM 1611 O LEU A 108 -14.364 0.609 13.318 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.406 3.660 13.492 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.531 4.687 12.774 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.367 5.870 12.311 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.402 5.153 13.681 1.00 0.00 C ATOM 0 H LEU A 108 -12.219 2.297 11.773 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.069 2.439 14.648 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.290 3.475 12.882 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.751 4.098 14.429 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.093 4.212 11.896 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.727 6.591 11.802 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.140 5.523 11.625 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.834 6.345 13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.789 5.884 13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.821 5.610 14.578 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.786 4.299 13.963 1.00 0.00 H new ATOM 1627 N SER A 109 -14.089 1.184 15.476 1.00 0.00 N ATOM 1628 CA SER A 109 -15.085 0.239 15.969 1.00 0.00 C ATOM 1629 C SER A 109 -16.454 0.903 16.083 1.00 0.00 C ATOM 1630 O SER A 109 -16.599 1.947 16.720 1.00 0.00 O ATOM 1631 CB SER A 109 -14.661 -0.318 17.329 1.00 0.00 C ATOM 1632 OG SER A 109 -15.771 -0.850 18.030 1.00 0.00 O ATOM 0 H SER A 109 -13.640 1.741 16.203 1.00 0.00 H new ATOM 0 HA SER A 109 -15.157 -0.581 15.255 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.909 -1.095 17.189 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.198 0.472 17.921 1.00 0.00 H new ATOM 0 HG SER A 109 -15.474 -1.201 18.895 1.00 0.00 H new