USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=26 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= -2.63 K(o=-3.2,f=-12!) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.545 K(o=-3.2,f=-2.1) USER MOD Set 2.1: A 50 ASN : amide:sc= -0.116 X(o=-0.067,f=0.15) USER MOD Set 2.2: A 69 SER OG : rot 23:sc= 0.0495 USER MOD Set 3.1: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 54 TYR OH : rot 180:sc= -0.897 USER MOD Set 3.3: A 91 TYR OH : rot -158:sc= 0.0913 USER MOD Set 4.1: A 40 THR OG1 : rot -89:sc= 0.99 USER MOD Set 4.2: A 51 TYR OH : rot 165:sc= 0.865 USER MOD Set 4.3: A 71 HIS : no HD1:sc= 0 X(o=1.9,f=1.4) USER MOD Set 5.1: A 35 THR OG1 : rot 180:sc= 0.0172 USER MOD Set 5.2: A 74 THR OG1 : rot -80:sc= 0.0189 USER MOD Single : A 23 ASN : amide:sc= -0.66 K(o=-0.66,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0514 USER MOD Single : A 37 THR OG1 : rot 18:sc= 0.221 USER MOD Single : A 49 GLN : amide:sc= -0.594 K(o=-0.59,f=-3.6!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= -1.5 (180deg=-1.51) USER MOD Single : A 60 THR OG1 : rot 73:sc= 0.0257 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 70 SER OG : rot -17:sc= 0.69 USER MOD Single : A 72 SER OG : rot 26:sc= 0.239 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.35) 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 58:sc= 0.0484 USER MOD Single : A 84 TYR OH : rot 180:sc= 0.0532 USER MOD Single : A 85 SER OG : rot -115:sc= -0.868 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 100:sc= -0.564 USER MOD Single : A 100 THR OG1 : rot -80:sc= 0.937 USER MOD Single : A 107 THR OG1 : rot 167:sc= 0.748 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 15.150 1.519 -11.410 1.00 0.00 N ATOM 215 CA LEU A 17 13.733 1.453 -11.067 1.00 0.00 C ATOM 216 C LEU A 17 13.365 2.542 -10.064 1.00 0.00 C ATOM 217 O LEU A 17 14.222 3.126 -9.402 1.00 0.00 O ATOM 218 CB LEU A 17 13.391 0.077 -10.493 1.00 0.00 C ATOM 219 CG LEU A 17 12.889 -0.962 -11.496 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.648 -0.848 -12.809 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.022 -2.365 -10.922 1.00 0.00 C ATOM 0 HA LEU A 17 13.155 1.613 -11.977 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.279 -0.321 -10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.631 0.206 -9.722 1.00 0.00 H new ATOM 0 HG LEU A 17 11.834 -0.769 -11.692 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.277 -1.596 -13.510 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.502 0.147 -13.229 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.710 -1.014 -12.631 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.660 -3.092 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.069 -2.568 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.433 -2.442 -10.008 1.00 0.00 H new ATOM 233 N PRO A 18 12.058 2.820 -9.947 1.00 0.00 N ATOM 234 CA PRO A 18 11.545 3.837 -9.024 1.00 0.00 C ATOM 235 C PRO A 18 11.688 3.421 -7.564 1.00 0.00 C ATOM 236 O PRO A 18 11.794 2.235 -7.254 1.00 0.00 O ATOM 237 CB PRO A 18 10.067 3.950 -9.406 1.00 0.00 C ATOM 238 CG PRO A 18 9.731 2.631 -10.011 1.00 0.00 C ATOM 239 CD PRO A 18 10.980 2.162 -10.705 1.00 0.00 C ATOM 0 HA PRO A 18 12.094 4.775 -9.106 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.447 4.155 -8.533 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.902 4.763 -10.112 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.419 1.919 -9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.905 2.724 -10.716 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.073 1.076 -10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.990 2.454 -11.755 1.00 0.00 H new ATOM 247 N GLY A 19 11.690 4.405 -6.670 1.00 0.00 N ATOM 248 CA GLY A 19 11.820 4.120 -5.253 1.00 0.00 C ATOM 249 C GLY A 19 10.482 4.099 -4.541 1.00 0.00 C ATOM 250 O GLY A 19 9.434 4.351 -5.135 1.00 0.00 O ATOM 0 H GLY A 19 11.604 5.395 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.312 3.156 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.462 4.871 -4.792 1.00 0.00 H new ATOM 254 N PRO A 20 10.507 3.791 -3.235 1.00 0.00 N ATOM 255 CA PRO A 20 9.295 3.730 -2.413 1.00 0.00 C ATOM 256 C PRO A 20 8.685 5.107 -2.177 1.00 0.00 C ATOM 257 O PRO A 20 9.395 6.071 -1.894 1.00 0.00 O ATOM 258 CB PRO A 20 9.791 3.131 -1.094 1.00 0.00 C ATOM 259 CG PRO A 20 11.237 3.485 -1.038 1.00 0.00 C ATOM 260 CD PRO A 20 11.721 3.480 -2.462 1.00 0.00 C ATOM 0 HA PRO A 20 8.507 3.149 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.249 3.544 -0.243 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.647 2.051 -1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.382 4.464 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.792 2.766 -0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.502 4.223 -2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.139 2.513 -2.741 1.00 0.00 H new ATOM 268 N ALA A 21 7.364 5.192 -2.295 1.00 0.00 N ATOM 269 CA ALA A 21 6.658 6.451 -2.091 1.00 0.00 C ATOM 270 C ALA A 21 6.863 6.972 -0.673 1.00 0.00 C ATOM 271 O ALA A 21 6.490 6.330 0.310 1.00 0.00 O ATOM 272 CB ALA A 21 5.175 6.277 -2.383 1.00 0.00 C ATOM 0 H ALA A 21 6.761 4.404 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 21 7.069 7.186 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.660 7.225 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.043 5.958 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.759 5.523 -1.715 1.00 0.00 H new ATOM 278 N PRO A 22 7.469 8.163 -0.561 1.00 0.00 N ATOM 279 CA PRO A 22 7.737 8.796 0.733 1.00 0.00 C ATOM 280 C PRO A 22 6.462 9.271 1.422 1.00 0.00 C ATOM 281 O PRO A 22 5.357 9.035 0.934 1.00 0.00 O ATOM 282 CB PRO A 22 8.623 9.990 0.368 1.00 0.00 C ATOM 283 CG PRO A 22 8.275 10.301 -1.047 1.00 0.00 C ATOM 284 CD PRO A 22 7.939 8.983 -1.690 1.00 0.00 C ATOM 0 HA PRO A 22 8.199 8.104 1.436 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.428 10.842 1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.680 9.745 0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.430 10.987 -1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.109 10.783 -1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.170 9.093 -2.454 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.809 8.539 -2.175 1.00 0.00 H new ATOM 292 N ASN A 23 6.623 9.943 2.557 1.00 0.00 N ATOM 293 CA ASN A 23 5.483 10.451 3.313 1.00 0.00 C ATOM 294 C ASN A 23 4.291 9.505 3.201 1.00 0.00 C ATOM 295 O ASN A 23 3.164 9.935 2.951 1.00 0.00 O ATOM 296 CB ASN A 23 5.093 11.843 2.812 1.00 0.00 C ATOM 297 CG ASN A 23 5.819 12.949 3.553 1.00 0.00 C ATOM 298 OD1 ASN A 23 5.239 13.991 3.858 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.095 12.725 3.846 1.00 0.00 N ATOM 0 H ASN A 23 7.531 10.149 2.974 1.00 0.00 H new ATOM 0 HA ASN A 23 5.774 10.517 4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.313 11.918 1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.017 11.979 2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.636 13.432 4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.534 11.846 3.573 1.00 0.00 H new ATOM 306 N LEU A 24 4.547 8.215 3.389 1.00 0.00 N ATOM 307 CA LEU A 24 3.495 7.207 3.310 1.00 0.00 C ATOM 308 C LEU A 24 2.681 7.168 4.599 1.00 0.00 C ATOM 309 O LEU A 24 3.117 6.602 5.602 1.00 0.00 O ATOM 310 CB LEU A 24 4.101 5.830 3.033 1.00 0.00 C ATOM 311 CG LEU A 24 3.109 4.674 2.907 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.308 4.796 1.620 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.837 3.338 2.960 1.00 0.00 C ATOM 0 H LEU A 24 5.473 7.842 3.597 1.00 0.00 H new ATOM 0 HA LEU A 24 2.829 7.475 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.679 5.888 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.802 5.596 3.834 1.00 0.00 H new ATOM 0 HG LEU A 24 2.417 4.721 3.748 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.607 3.964 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.757 5.736 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.986 4.775 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.115 2.526 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.553 3.281 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.365 3.249 3.909 1.00 0.00 H new ATOM 325 N ARG A 25 1.497 7.770 4.564 1.00 0.00 N ATOM 326 CA ARG A 25 0.622 7.803 5.730 1.00 0.00 C ATOM 327 C ARG A 25 -0.636 6.973 5.489 1.00 0.00 C ATOM 328 O ARG A 25 -1.042 6.760 4.347 1.00 0.00 O ATOM 329 CB ARG A 25 0.237 9.245 6.065 1.00 0.00 C ATOM 330 CG ARG A 25 1.300 10.263 5.684 1.00 0.00 C ATOM 331 CD ARG A 25 2.438 10.284 6.692 1.00 0.00 C ATOM 332 NE ARG A 25 2.006 10.782 7.995 1.00 0.00 N ATOM 333 CZ ARG A 25 2.838 11.271 8.908 1.00 0.00 C ATOM 334 NH1 ARG A 25 4.140 11.328 8.660 1.00 0.00 N ATOM 335 NH2 ARG A 25 2.369 11.704 10.071 1.00 0.00 N ATOM 0 H ARG A 25 1.121 8.241 3.741 1.00 0.00 H new ATOM 0 HA ARG A 25 1.165 7.374 6.572 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.692 9.493 5.552 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.040 9.321 7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.693 10.027 4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.850 11.254 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.841 9.278 6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.246 10.911 6.314 1.00 0.00 H new ATOM 0 HE ARG A 25 1.011 10.753 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.504 10.996 7.767 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.777 11.704 9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.369 11.662 10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.009 12.079 10.771 1.00 0.00 H new ATOM 349 N ALA A 26 -1.247 6.505 6.573 1.00 0.00 N ATOM 350 CA ALA A 26 -2.458 5.700 6.479 1.00 0.00 C ATOM 351 C ALA A 26 -3.324 5.865 7.724 1.00 0.00 C ATOM 352 O ALA A 26 -2.844 5.722 8.849 1.00 0.00 O ATOM 353 CB ALA A 26 -2.104 4.235 6.270 1.00 0.00 C ATOM 0 H ALA A 26 -0.923 6.670 7.526 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.031 6.049 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.019 3.646 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.533 4.127 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.507 3.882 7.110 1.00 0.00 H new ATOM 359 N TYR A 27 -4.601 6.166 7.515 1.00 0.00 N ATOM 360 CA TYR A 27 -5.533 6.353 8.620 1.00 0.00 C ATOM 361 C TYR A 27 -6.937 5.900 8.231 1.00 0.00 C ATOM 362 O TYR A 27 -7.333 5.997 7.070 1.00 0.00 O ATOM 363 CB TYR A 27 -5.559 7.820 9.050 1.00 0.00 C ATOM 364 CG TYR A 27 -5.794 8.782 7.908 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.746 9.201 7.099 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.066 9.271 7.637 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.956 10.081 6.054 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.287 10.150 6.594 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.229 10.552 5.806 1.00 0.00 C ATOM 370 OH TYR A 27 -6.443 11.427 4.765 1.00 0.00 O ATOM 0 H TYR A 27 -5.014 6.286 6.590 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.193 5.742 9.456 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.342 7.957 9.796 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.613 8.065 9.532 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.749 8.833 7.290 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.897 8.959 8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.129 10.398 5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.282 10.520 6.397 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.394 11.662 4.725 1.00 0.00 H new ATOM 380 N ALA A 28 -7.685 5.406 9.212 1.00 0.00 N ATOM 381 CA ALA A 28 -9.046 4.941 8.975 1.00 0.00 C ATOM 382 C ALA A 28 -10.048 6.082 9.116 1.00 0.00 C ATOM 383 O ALA A 28 -10.252 6.611 10.208 1.00 0.00 O ATOM 384 CB ALA A 28 -9.392 3.811 9.933 1.00 0.00 C ATOM 0 H ALA A 28 -7.371 5.317 10.179 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.103 4.566 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.411 3.474 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.701 2.981 9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.312 4.167 10.960 1.00 0.00 H new ATOM 390 N ALA A 29 -10.671 6.456 8.003 1.00 0.00 N ATOM 391 CA ALA A 29 -11.653 7.534 8.002 1.00 0.00 C ATOM 392 C ALA A 29 -12.974 7.073 8.610 1.00 0.00 C ATOM 393 O ALA A 29 -13.618 7.812 9.354 1.00 0.00 O ATOM 394 CB ALA A 29 -11.872 8.048 6.587 1.00 0.00 C ATOM 0 H ALA A 29 -10.513 6.028 7.090 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.264 8.347 8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.607 8.852 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.931 8.424 6.187 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.235 7.236 5.957 1.00 0.00 H new ATOM 400 N SER A 30 -13.372 5.846 8.287 1.00 0.00 N ATOM 401 CA SER A 30 -14.619 5.288 8.797 1.00 0.00 C ATOM 402 C SER A 30 -14.421 3.848 9.260 1.00 0.00 C ATOM 403 O SER A 30 -13.454 3.180 8.895 1.00 0.00 O ATOM 404 CB SER A 30 -15.706 5.346 7.722 1.00 0.00 C ATOM 405 OG SER A 30 -16.434 6.559 7.797 1.00 0.00 O ATOM 0 H SER A 30 -12.849 5.220 7.675 1.00 0.00 H new ATOM 0 HA SER A 30 -14.933 5.886 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.252 5.251 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.386 4.502 7.842 1.00 0.00 H new ATOM 0 HG SER A 30 -17.121 6.572 7.098 1.00 0.00 H new ATOM 411 N PRO A 31 -15.359 3.358 10.084 1.00 0.00 N ATOM 412 CA PRO A 31 -15.310 1.992 10.615 1.00 0.00 C ATOM 413 C PRO A 31 -15.567 0.943 9.539 1.00 0.00 C ATOM 414 O PRO A 31 -15.596 -0.256 9.820 1.00 0.00 O ATOM 415 CB PRO A 31 -16.432 1.977 11.656 1.00 0.00 C ATOM 416 CG PRO A 31 -17.381 3.034 11.206 1.00 0.00 C ATOM 417 CD PRO A 31 -16.539 4.099 10.560 1.00 0.00 C ATOM 0 HA PRO A 31 -14.329 1.747 11.022 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.918 1.002 11.701 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.049 2.188 12.654 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.108 2.631 10.501 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.943 3.438 12.048 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.066 4.585 9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.264 4.880 11.269 1.00 0.00 H new ATOM 425 N THR A 32 -15.754 1.400 8.305 1.00 0.00 N ATOM 426 CA THR A 32 -16.010 0.501 7.187 1.00 0.00 C ATOM 427 C THR A 32 -15.137 0.853 5.987 1.00 0.00 C ATOM 428 O THR A 32 -15.220 0.214 4.938 1.00 0.00 O ATOM 429 CB THR A 32 -17.489 0.541 6.760 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.859 1.877 6.401 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.389 0.044 7.881 1.00 0.00 C ATOM 0 H THR A 32 -15.733 2.389 8.055 1.00 0.00 H new ATOM 0 HA THR A 32 -15.766 -0.505 7.529 1.00 0.00 H new ATOM 0 HB THR A 32 -17.614 -0.114 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.800 1.894 6.129 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.429 0.081 7.556 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.124 -0.983 8.132 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.260 0.677 8.759 1.00 0.00 H new ATOM 439 N SER A 33 -14.300 1.873 6.149 1.00 0.00 N ATOM 440 CA SER A 33 -13.414 2.312 5.078 1.00 0.00 C ATOM 441 C SER A 33 -12.061 2.745 5.635 1.00 0.00 C ATOM 442 O SER A 33 -11.872 2.815 6.850 1.00 0.00 O ATOM 443 CB SER A 33 -14.051 3.466 4.301 1.00 0.00 C ATOM 444 OG SER A 33 -13.694 4.717 4.862 1.00 0.00 O ATOM 0 H SER A 33 -14.217 2.411 7.012 1.00 0.00 H new ATOM 0 HA SER A 33 -13.257 1.471 4.402 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.732 3.427 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.136 3.358 4.307 1.00 0.00 H new ATOM 0 HG SER A 33 -14.112 5.438 4.347 1.00 0.00 H new ATOM 450 N ILE A 34 -11.124 3.035 4.739 1.00 0.00 N ATOM 451 CA ILE A 34 -9.790 3.462 5.140 1.00 0.00 C ATOM 452 C ILE A 34 -9.157 4.357 4.079 1.00 0.00 C ATOM 453 O ILE A 34 -9.092 3.996 2.904 1.00 0.00 O ATOM 454 CB ILE A 34 -8.866 2.257 5.395 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.407 1.406 6.546 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.451 2.728 5.698 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.676 0.094 6.724 1.00 0.00 C ATOM 0 H ILE A 34 -11.264 2.982 3.730 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.904 4.025 6.066 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.839 1.643 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.341 1.978 7.472 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.464 1.203 6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.810 1.864 5.876 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.067 3.296 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.460 3.362 6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.113 -0.456 7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.763 -0.498 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.624 0.289 6.930 1.00 0.00 H new ATOM 469 N THR A 35 -8.689 5.527 4.503 1.00 0.00 N ATOM 470 CA THR A 35 -8.061 6.475 3.591 1.00 0.00 C ATOM 471 C THR A 35 -6.541 6.400 3.682 1.00 0.00 C ATOM 472 O THR A 35 -5.971 6.450 4.772 1.00 0.00 O ATOM 473 CB THR A 35 -8.511 7.919 3.882 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.895 8.077 3.550 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.678 8.915 3.092 1.00 0.00 C ATOM 0 H THR A 35 -8.733 5.841 5.473 1.00 0.00 H new ATOM 0 HA THR A 35 -8.377 6.201 2.584 1.00 0.00 H new ATOM 0 HB THR A 35 -8.368 8.113 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.174 8.997 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.014 9.928 3.314 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.629 8.812 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.793 8.720 2.026 1.00 0.00 H new ATOM 483 N VAL A 36 -5.889 6.281 2.530 1.00 0.00 N ATOM 484 CA VAL A 36 -4.434 6.202 2.480 1.00 0.00 C ATOM 485 C VAL A 36 -3.851 7.327 1.633 1.00 0.00 C ATOM 486 O VAL A 36 -4.321 7.595 0.527 1.00 0.00 O ATOM 487 CB VAL A 36 -3.965 4.849 1.911 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.447 4.751 1.951 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.602 3.700 2.677 1.00 0.00 C ATOM 0 H VAL A 36 -6.345 6.237 1.619 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.076 6.301 3.505 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.282 4.782 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.134 3.789 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.015 5.554 1.355 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.104 4.839 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.260 2.752 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.317 3.760 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.687 3.763 2.592 1.00 0.00 H new ATOM 499 N THR A 37 -2.821 7.984 2.158 1.00 0.00 N ATOM 500 CA THR A 37 -2.173 9.081 1.451 1.00 0.00 C ATOM 501 C THR A 37 -0.665 8.874 1.378 1.00 0.00 C ATOM 502 O THR A 37 -0.018 8.594 2.388 1.00 0.00 O ATOM 503 CB THR A 37 -2.462 10.434 2.128 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.878 10.463 3.435 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.960 10.679 2.231 1.00 0.00 C ATOM 0 H THR A 37 -2.418 7.775 3.071 1.00 0.00 H new ATOM 0 HA THR A 37 -2.584 9.093 0.442 1.00 0.00 H new ATOM 0 HB THR A 37 -2.022 11.222 1.517 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.201 9.758 3.506 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.139 11.640 2.712 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.397 10.686 1.232 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.419 9.886 2.822 1.00 0.00 H new ATOM 513 N TRP A 38 -0.110 9.014 0.180 1.00 0.00 N ATOM 514 CA TRP A 38 1.324 8.843 -0.023 1.00 0.00 C ATOM 515 C TRP A 38 1.893 9.976 -0.870 1.00 0.00 C ATOM 516 O TRP A 38 1.150 10.810 -1.386 1.00 0.00 O ATOM 517 CB TRP A 38 1.608 7.497 -0.693 1.00 0.00 C ATOM 518 CG TRP A 38 0.930 7.340 -2.020 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.422 7.708 -3.240 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.363 6.774 -2.261 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.512 7.406 -4.225 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.591 6.831 -3.650 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.349 6.223 -1.439 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.764 6.359 -4.232 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.514 5.755 -2.018 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.713 5.825 -3.403 1.00 0.00 C ATOM 0 H TRP A 38 -0.631 9.245 -0.666 1.00 0.00 H new ATOM 0 HA TRP A 38 1.809 8.865 0.953 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.684 7.386 -0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.285 6.694 -0.031 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.385 8.169 -3.406 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.637 7.581 -5.222 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.204 6.164 -0.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.920 6.412 -5.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.284 5.328 -1.392 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.634 5.450 -3.825 1.00 0.00 H new ATOM 537 N GLU A 39 3.215 9.999 -1.008 1.00 0.00 N ATOM 538 CA GLU A 39 3.882 11.032 -1.792 1.00 0.00 C ATOM 539 C GLU A 39 4.708 10.413 -2.916 1.00 0.00 C ATOM 540 O GLU A 39 4.978 9.211 -2.915 1.00 0.00 O ATOM 541 CB GLU A 39 4.780 11.885 -0.894 1.00 0.00 C ATOM 542 CG GLU A 39 4.055 13.044 -0.231 1.00 0.00 C ATOM 543 CD GLU A 39 3.367 13.951 -1.233 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.964 14.223 -2.296 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.231 14.389 -0.954 1.00 0.00 O ATOM 0 H GLU A 39 3.844 9.315 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 39 3.116 11.668 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.215 11.250 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.606 12.276 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.315 12.653 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.767 13.627 0.352 1.00 0.00 H new ATOM 552 N THR A 40 5.107 11.242 -3.875 1.00 0.00 N ATOM 553 CA THR A 40 5.901 10.778 -5.006 1.00 0.00 C ATOM 554 C THR A 40 7.388 10.777 -4.671 1.00 0.00 C ATOM 555 O THR A 40 7.931 11.749 -4.146 1.00 0.00 O ATOM 556 CB THR A 40 5.667 11.652 -6.253 1.00 0.00 C ATOM 557 OG1 THR A 40 4.263 11.826 -6.473 1.00 0.00 O ATOM 558 CG2 THR A 40 6.304 11.022 -7.482 1.00 0.00 C ATOM 0 H THR A 40 4.893 12.239 -3.891 1.00 0.00 H new ATOM 0 HA THR A 40 5.580 9.759 -5.221 1.00 0.00 H new ATOM 0 HB THR A 40 6.130 12.624 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.928 11.100 -7.040 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.126 11.657 -8.350 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.377 10.918 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.866 10.039 -7.655 1.00 0.00 H new ATOM 566 N PRO A 41 8.064 9.661 -4.981 1.00 0.00 N ATOM 567 CA PRO A 41 9.499 9.507 -4.722 1.00 0.00 C ATOM 568 C PRO A 41 10.349 10.392 -5.628 1.00 0.00 C ATOM 569 O PRO A 41 10.457 10.145 -6.829 1.00 0.00 O ATOM 570 CB PRO A 41 9.758 8.029 -5.023 1.00 0.00 C ATOM 571 CG PRO A 41 8.685 7.644 -5.983 1.00 0.00 C ATOM 572 CD PRO A 41 7.481 8.463 -5.608 1.00 0.00 C ATOM 0 HA PRO A 41 9.764 9.802 -3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.748 7.881 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.713 7.426 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.990 7.845 -7.010 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.467 6.578 -5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.881 8.718 -6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.829 7.926 -4.919 1.00 0.00 H new ATOM 580 N VAL A 42 10.952 11.423 -5.044 1.00 0.00 N ATOM 581 CA VAL A 42 11.794 12.343 -5.799 1.00 0.00 C ATOM 582 C VAL A 42 12.764 11.587 -6.700 1.00 0.00 C ATOM 583 O VAL A 42 13.149 12.075 -7.763 1.00 0.00 O ATOM 584 CB VAL A 42 12.595 13.267 -4.862 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.657 14.066 -3.970 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.577 12.458 -4.028 1.00 0.00 C ATOM 0 H VAL A 42 10.873 11.642 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 42 11.129 12.949 -6.414 1.00 0.00 H new ATOM 0 HB VAL A 42 13.164 13.969 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.241 14.713 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.998 14.675 -4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.059 13.383 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.134 13.127 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.031 11.731 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.270 11.936 -4.687 1.00 0.00 H new ATOM 650 N ILE A 48 6.219 8.438 -13.479 1.00 0.00 N ATOM 651 CA ILE A 48 5.389 7.340 -12.997 1.00 0.00 C ATOM 652 C ILE A 48 4.130 7.190 -13.845 1.00 0.00 C ATOM 653 O ILE A 48 3.359 8.136 -14.000 1.00 0.00 O ATOM 654 CB ILE A 48 4.982 7.546 -11.526 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.218 7.815 -10.665 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.226 6.330 -11.011 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.097 6.600 -10.473 1.00 0.00 C ATOM 0 HA ILE A 48 5.988 6.433 -13.076 1.00 0.00 H new ATOM 0 HB ILE A 48 4.324 8.413 -11.464 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.806 8.609 -11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.898 8.180 -9.689 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.945 6.490 -9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.328 6.179 -11.610 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.863 5.448 -11.083 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.953 6.865 -9.853 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.525 5.811 -9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.447 6.247 -11.443 1.00 0.00 H new ATOM 669 N GLN A 49 3.929 5.995 -14.389 1.00 0.00 N ATOM 670 CA GLN A 49 2.763 5.720 -15.221 1.00 0.00 C ATOM 671 C GLN A 49 1.495 5.657 -14.375 1.00 0.00 C ATOM 672 O GLN A 49 0.544 6.403 -14.608 1.00 0.00 O ATOM 673 CB GLN A 49 2.950 4.406 -15.981 1.00 0.00 C ATOM 674 CG GLN A 49 4.205 4.372 -16.838 1.00 0.00 C ATOM 675 CD GLN A 49 4.130 5.317 -18.021 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.188 6.101 -18.145 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.125 5.249 -18.897 1.00 0.00 N ATOM 0 H GLN A 49 4.558 5.201 -14.269 1.00 0.00 H new ATOM 0 HA GLN A 49 2.660 6.534 -15.939 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.986 3.584 -15.266 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.081 4.237 -16.617 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.067 4.633 -16.224 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.366 3.356 -17.199 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.885 4.584 -18.755 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.129 5.862 -19.713 1.00 0.00 H new ATOM 686 N ASN A 50 1.488 4.760 -13.394 1.00 0.00 N ATOM 687 CA ASN A 50 0.336 4.599 -12.514 1.00 0.00 C ATOM 688 C ASN A 50 0.767 4.094 -11.141 1.00 0.00 C ATOM 689 O ASN A 50 1.766 3.385 -11.014 1.00 0.00 O ATOM 690 CB ASN A 50 -0.672 3.629 -13.134 1.00 0.00 C ATOM 691 CG ASN A 50 -1.922 3.477 -12.288 1.00 0.00 C ATOM 692 OD1 ASN A 50 -2.816 4.324 -12.324 1.00 0.00 O ATOM 693 ND2 ASN A 50 -1.991 2.395 -11.522 1.00 0.00 N ATOM 0 H ASN A 50 2.267 4.134 -13.189 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.136 5.574 -12.391 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.949 3.983 -14.127 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.202 2.654 -13.262 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.808 2.239 -10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.227 1.719 -11.524 1.00 0.00 H new ATOM 700 N TYR A 51 0.007 4.463 -10.116 1.00 0.00 N ATOM 701 CA TYR A 51 0.311 4.049 -8.751 1.00 0.00 C ATOM 702 C TYR A 51 -0.438 2.770 -8.390 1.00 0.00 C ATOM 703 O TYR A 51 -1.669 2.736 -8.391 1.00 0.00 O ATOM 704 CB TYR A 51 -0.052 5.161 -7.766 1.00 0.00 C ATOM 705 CG TYR A 51 0.861 6.364 -7.847 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.184 6.285 -7.429 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.401 7.578 -8.339 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.022 7.381 -7.500 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.232 8.679 -8.415 1.00 0.00 C ATOM 710 CZ TYR A 51 2.542 8.575 -7.995 1.00 0.00 C ATOM 711 OH TYR A 51 3.373 9.670 -8.068 1.00 0.00 O ATOM 0 H TYR A 51 -0.824 5.048 -10.204 1.00 0.00 H new ATOM 0 HA TYR A 51 1.381 3.852 -8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.077 5.480 -7.953 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.023 4.761 -6.753 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.564 5.351 -7.042 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.624 7.663 -8.668 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.047 7.303 -7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.858 9.616 -8.801 1.00 0.00 H new ATOM 0 HH TYR A 51 2.969 10.350 -8.647 1.00 0.00 H new ATOM 721 N LYS A 52 0.314 1.719 -8.081 1.00 0.00 N ATOM 722 CA LYS A 52 -0.276 0.437 -7.716 1.00 0.00 C ATOM 723 C LYS A 52 -0.443 0.325 -6.204 1.00 0.00 C ATOM 724 O LYS A 52 0.521 0.075 -5.479 1.00 0.00 O ATOM 725 CB LYS A 52 0.593 -0.713 -8.230 1.00 0.00 C ATOM 726 CG LYS A 52 -0.109 -2.060 -8.216 1.00 0.00 C ATOM 727 CD LYS A 52 -1.063 -2.203 -9.390 1.00 0.00 C ATOM 728 CE LYS A 52 -1.187 -3.652 -9.835 1.00 0.00 C ATOM 729 NZ LYS A 52 -0.083 -4.046 -10.753 1.00 0.00 N ATOM 0 H LYS A 52 1.334 1.730 -8.076 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.261 0.375 -8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.912 -0.489 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.495 -0.776 -7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.632 -2.858 -8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.660 -2.175 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.045 -1.822 -9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.710 -1.595 -10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.182 -4.302 -8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.145 -3.798 -10.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.203 -5.040 -11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.103 -3.442 -11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.830 -3.931 -10.268 1.00 0.00 H new ATOM 743 N LEU A 53 -1.671 0.511 -5.733 1.00 0.00 N ATOM 744 CA LEU A 53 -1.965 0.430 -4.307 1.00 0.00 C ATOM 745 C LEU A 53 -2.554 -0.930 -3.948 1.00 0.00 C ATOM 746 O LEU A 53 -3.460 -1.423 -4.622 1.00 0.00 O ATOM 747 CB LEU A 53 -2.934 1.542 -3.901 1.00 0.00 C ATOM 748 CG LEU A 53 -3.627 1.368 -2.549 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.699 1.781 -1.417 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.917 2.174 -2.504 1.00 0.00 C ATOM 0 H LEU A 53 -2.480 0.719 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.030 0.555 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.388 2.485 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.700 1.628 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.875 0.314 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.209 1.651 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.802 1.161 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.420 2.828 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.397 2.039 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.692 3.230 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.588 1.832 -3.292 1.00 0.00 H new ATOM 762 N TYR A 54 -2.036 -1.531 -2.883 1.00 0.00 N ATOM 763 CA TYR A 54 -2.511 -2.835 -2.435 1.00 0.00 C ATOM 764 C TYR A 54 -3.212 -2.725 -1.084 1.00 0.00 C ATOM 765 O TYR A 54 -3.041 -1.743 -0.362 1.00 0.00 O ATOM 766 CB TYR A 54 -1.345 -3.820 -2.338 1.00 0.00 C ATOM 767 CG TYR A 54 -0.657 -4.076 -3.660 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.075 -3.037 -4.375 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.589 -5.357 -4.193 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.554 -3.266 -5.583 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.040 -5.596 -5.400 1.00 0.00 C ATOM 772 CZ TYR A 54 0.609 -4.547 -6.092 1.00 0.00 C ATOM 773 OH TYR A 54 1.236 -4.780 -7.294 1.00 0.00 O ATOM 0 H TYR A 54 -1.287 -1.136 -2.314 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.229 -3.203 -3.168 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.614 -3.436 -1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.712 -4.766 -1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.115 -2.033 -3.979 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.035 -6.180 -3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.001 -2.446 -6.126 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.086 -6.598 -5.799 1.00 0.00 H new ATOM 0 HH TYR A 54 1.187 -5.735 -7.509 1.00 0.00 H new ATOM 783 N TYR A 55 -4.001 -3.740 -0.750 1.00 0.00 N ATOM 784 CA TYR A 55 -4.730 -3.758 0.512 1.00 0.00 C ATOM 785 C TYR A 55 -5.193 -5.171 0.854 1.00 0.00 C ATOM 786 O TYR A 55 -5.583 -5.938 -0.026 1.00 0.00 O ATOM 787 CB TYR A 55 -5.935 -2.818 0.443 1.00 0.00 C ATOM 788 CG TYR A 55 -7.043 -3.318 -0.455 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.869 -3.389 -1.832 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.264 -3.720 0.072 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.879 -3.845 -2.657 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.279 -4.178 -0.745 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.082 -4.239 -2.109 1.00 0.00 C ATOM 794 OH TYR A 55 -10.091 -4.694 -2.927 1.00 0.00 O ATOM 0 H TYR A 55 -4.152 -4.561 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.055 -3.416 1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.331 -2.674 1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.604 -1.842 0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.928 -3.082 -2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.422 -3.674 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.727 -3.893 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.222 -4.487 -0.318 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.871 -4.932 -2.383 1.00 0.00 H new ATOM 804 N MET A 56 -5.146 -5.507 2.139 1.00 0.00 N ATOM 805 CA MET A 56 -5.562 -6.827 2.598 1.00 0.00 C ATOM 806 C MET A 56 -5.912 -6.801 4.083 1.00 0.00 C ATOM 807 O MET A 56 -5.528 -5.880 4.803 1.00 0.00 O ATOM 808 CB MET A 56 -4.456 -7.853 2.341 1.00 0.00 C ATOM 809 CG MET A 56 -3.523 -8.049 3.525 1.00 0.00 C ATOM 810 SD MET A 56 -1.998 -8.899 3.073 1.00 0.00 S ATOM 811 CE MET A 56 -1.804 -10.010 4.464 1.00 0.00 C ATOM 0 H MET A 56 -4.824 -4.884 2.880 1.00 0.00 H new ATOM 0 HA MET A 56 -6.452 -7.115 2.038 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.911 -8.810 2.085 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.872 -7.537 1.477 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.279 -7.078 3.955 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.038 -8.620 4.298 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.901 -10.606 4.330 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.724 -9.431 5.384 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.669 -10.670 4.526 1.00 0.00 H new ATOM 821 N GLU A 57 -6.643 -7.816 4.533 1.00 0.00 N ATOM 822 CA GLU A 57 -7.044 -7.907 5.931 1.00 0.00 C ATOM 823 C GLU A 57 -6.080 -8.791 6.718 1.00 0.00 C ATOM 824 O GLU A 57 -6.098 -10.015 6.591 1.00 0.00 O ATOM 825 CB GLU A 57 -8.466 -8.461 6.042 1.00 0.00 C ATOM 826 CG GLU A 57 -8.909 -8.720 7.472 1.00 0.00 C ATOM 827 CD GLU A 57 -10.282 -9.358 7.551 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.711 -9.970 6.551 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.928 -9.245 8.614 1.00 0.00 O ATOM 0 H GLU A 57 -6.969 -8.586 3.949 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.018 -6.903 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.158 -7.758 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.530 -9.391 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.182 -9.369 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.918 -7.779 8.022 1.00 0.00 H new ATOM 836 N LYS A 58 -5.239 -8.161 7.530 1.00 0.00 N ATOM 837 CA LYS A 58 -4.267 -8.887 8.339 1.00 0.00 C ATOM 838 C LYS A 58 -4.786 -10.276 8.696 1.00 0.00 C ATOM 839 O LYS A 58 -5.604 -10.430 9.602 1.00 0.00 O ATOM 840 CB LYS A 58 -3.949 -8.106 9.616 1.00 0.00 C ATOM 841 CG LYS A 58 -2.637 -8.509 10.265 1.00 0.00 C ATOM 842 CD LYS A 58 -1.478 -7.674 9.746 1.00 0.00 C ATOM 843 CE LYS A 58 -1.272 -6.423 10.587 1.00 0.00 C ATOM 844 NZ LYS A 58 0.152 -5.986 10.591 1.00 0.00 N ATOM 0 H LYS A 58 -5.211 -7.148 7.646 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.355 -8.998 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.917 -7.042 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.758 -8.251 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.714 -8.393 11.346 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.443 -9.564 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.566 -8.272 9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.667 -7.391 8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.898 -5.618 10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.596 -6.616 11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.240 -5.094 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.738 -6.716 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.474 -5.843 9.613 1.00 0.00 H new ATOM 858 N GLY A 59 -4.303 -11.286 7.978 1.00 0.00 N ATOM 859 CA GLY A 59 -4.729 -12.649 8.236 1.00 0.00 C ATOM 860 C GLY A 59 -5.114 -13.386 6.968 1.00 0.00 C ATOM 861 O GLY A 59 -4.835 -14.577 6.823 1.00 0.00 O ATOM 0 H GLY A 59 -3.625 -11.184 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.925 -13.189 8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.579 -12.638 8.918 1.00 0.00 H new ATOM 865 N THR A 60 -5.759 -12.677 6.047 1.00 0.00 N ATOM 866 CA THR A 60 -6.186 -13.272 4.786 1.00 0.00 C ATOM 867 C THR A 60 -5.021 -13.952 4.077 1.00 0.00 C ATOM 868 O THR A 60 -5.208 -14.937 3.362 1.00 0.00 O ATOM 869 CB THR A 60 -6.798 -12.216 3.846 1.00 0.00 C ATOM 870 OG1 THR A 60 -7.382 -11.157 4.613 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.855 -12.840 2.948 1.00 0.00 C ATOM 0 H THR A 60 -5.997 -11.691 6.150 1.00 0.00 H new ATOM 0 HA THR A 60 -6.945 -14.016 5.028 1.00 0.00 H new ATOM 0 HB THR A 60 -6.002 -11.814 3.219 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.672 -10.609 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.273 -12.076 2.293 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.402 -13.626 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.649 -13.266 3.562 1.00 0.00 H new ATOM 879 N ASP A 61 -3.820 -13.422 4.280 1.00 0.00 N ATOM 880 CA ASP A 61 -2.624 -13.981 3.660 1.00 0.00 C ATOM 881 C ASP A 61 -2.650 -13.779 2.148 1.00 0.00 C ATOM 882 O ASP A 61 -2.023 -14.529 1.400 1.00 0.00 O ATOM 883 CB ASP A 61 -2.502 -15.470 3.987 1.00 0.00 C ATOM 884 CG ASP A 61 -2.602 -15.746 5.474 1.00 0.00 C ATOM 885 OD1 ASP A 61 -1.974 -15.005 6.259 1.00 0.00 O ATOM 886 OD2 ASP A 61 -3.309 -16.704 5.854 1.00 0.00 O ATOM 0 H ASP A 61 -3.649 -12.607 4.869 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.757 -13.457 4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.286 -16.019 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.548 -15.844 3.614 1.00 0.00 H new ATOM 891 N LYS A 62 -3.381 -12.762 1.705 1.00 0.00 N ATOM 892 CA LYS A 62 -3.490 -12.461 0.282 1.00 0.00 C ATOM 893 C LYS A 62 -3.851 -10.995 0.063 1.00 0.00 C ATOM 894 O LYS A 62 -4.890 -10.527 0.527 1.00 0.00 O ATOM 895 CB LYS A 62 -4.542 -13.360 -0.371 1.00 0.00 C ATOM 896 CG LYS A 62 -4.860 -12.980 -1.807 1.00 0.00 C ATOM 897 CD LYS A 62 -3.938 -13.685 -2.788 1.00 0.00 C ATOM 898 CE LYS A 62 -4.417 -15.097 -3.087 1.00 0.00 C ATOM 899 NZ LYS A 62 -3.589 -15.754 -4.136 1.00 0.00 N ATOM 0 H LYS A 62 -3.907 -12.132 2.311 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.521 -12.651 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.192 -14.392 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.458 -13.320 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.895 -13.236 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.765 -11.901 -1.928 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.886 -13.114 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.929 -13.721 -2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.385 -15.692 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.457 -15.066 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.948 -16.714 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.639 -15.200 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.601 -15.807 -3.816 1.00 0.00 H new ATOM 913 N GLU A 63 -2.987 -10.278 -0.649 1.00 0.00 N ATOM 914 CA GLU A 63 -3.217 -8.865 -0.929 1.00 0.00 C ATOM 915 C GLU A 63 -3.746 -8.672 -2.348 1.00 0.00 C ATOM 916 O GLU A 63 -3.489 -9.487 -3.233 1.00 0.00 O ATOM 917 CB GLU A 63 -1.925 -8.068 -0.742 1.00 0.00 C ATOM 918 CG GLU A 63 -0.949 -8.211 -1.897 1.00 0.00 C ATOM 919 CD GLU A 63 -0.018 -9.397 -1.732 1.00 0.00 C ATOM 920 OE1 GLU A 63 -0.407 -10.363 -1.042 1.00 0.00 O ATOM 921 OE2 GLU A 63 1.098 -9.359 -2.290 1.00 0.00 O ATOM 0 H GLU A 63 -2.123 -10.651 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.966 -8.498 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.173 -7.014 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.437 -8.393 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.507 -8.318 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.358 -7.299 -1.983 1.00 0.00 H new ATOM 928 N GLN A 64 -4.486 -7.587 -2.554 1.00 0.00 N ATOM 929 CA GLN A 64 -5.052 -7.287 -3.864 1.00 0.00 C ATOM 930 C GLN A 64 -4.360 -6.082 -4.493 1.00 0.00 C ATOM 931 O GLN A 64 -3.384 -5.562 -3.952 1.00 0.00 O ATOM 932 CB GLN A 64 -6.554 -7.023 -3.746 1.00 0.00 C ATOM 933 CG GLN A 64 -7.361 -8.258 -3.377 1.00 0.00 C ATOM 934 CD GLN A 64 -7.679 -9.127 -4.578 1.00 0.00 C ATOM 935 OE1 GLN A 64 -6.793 -9.763 -5.150 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.948 -9.159 -4.967 1.00 0.00 N ATOM 0 H GLN A 64 -4.707 -6.902 -1.831 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.892 -8.152 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.721 -6.252 -2.994 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.921 -6.629 -4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.806 -8.845 -2.645 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.291 -7.950 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.650 -8.616 -4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.221 -9.727 -5.769 1.00 0.00 H new ATOM 945 N ASP A 65 -4.872 -5.644 -5.638 1.00 0.00 N ATOM 946 CA ASP A 65 -4.303 -4.499 -6.341 1.00 0.00 C ATOM 947 C ASP A 65 -5.403 -3.634 -6.949 1.00 0.00 C ATOM 948 O ASP A 65 -6.325 -4.142 -7.587 1.00 0.00 O ATOM 949 CB ASP A 65 -3.344 -4.970 -7.435 1.00 0.00 C ATOM 950 CG ASP A 65 -4.070 -5.572 -8.622 1.00 0.00 C ATOM 951 OD1 ASP A 65 -5.155 -6.158 -8.420 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.554 -5.457 -9.753 1.00 0.00 O ATOM 0 H ASP A 65 -5.679 -6.064 -6.099 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.750 -3.898 -5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.740 -4.128 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.658 -5.708 -7.020 1.00 0.00 H new ATOM 957 N VAL A 66 -5.299 -2.325 -6.746 1.00 0.00 N ATOM 958 CA VAL A 66 -6.285 -1.389 -7.275 1.00 0.00 C ATOM 959 C VAL A 66 -5.609 -0.237 -8.011 1.00 0.00 C ATOM 960 O VAL A 66 -4.698 0.401 -7.483 1.00 0.00 O ATOM 961 CB VAL A 66 -7.173 -0.817 -6.154 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.791 -1.941 -5.336 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.370 0.122 -5.266 1.00 0.00 C ATOM 0 H VAL A 66 -4.543 -1.888 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.909 -1.947 -7.974 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.982 -0.246 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.415 -1.518 -4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.401 -2.570 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.000 -2.542 -4.888 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.013 0.517 -4.479 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.540 -0.423 -4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.981 0.946 -5.865 1.00 0.00 H new ATOM 973 N ASP A 67 -6.062 0.023 -9.232 1.00 0.00 N ATOM 974 CA ASP A 67 -5.502 1.100 -10.041 1.00 0.00 C ATOM 975 C ASP A 67 -5.862 2.462 -9.457 1.00 0.00 C ATOM 976 O ASP A 67 -7.025 2.735 -9.160 1.00 0.00 O ATOM 977 CB ASP A 67 -6.008 1.000 -11.482 1.00 0.00 C ATOM 978 CG ASP A 67 -5.353 2.015 -12.397 1.00 0.00 C ATOM 979 OD1 ASP A 67 -5.423 3.223 -12.089 1.00 0.00 O ATOM 980 OD2 ASP A 67 -4.770 1.602 -13.422 1.00 0.00 O ATOM 0 H ASP A 67 -6.815 -0.496 -9.684 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.417 0.998 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.818 -0.004 -11.862 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.088 1.146 -11.496 1.00 0.00 H new ATOM 985 N VAL A 68 -4.855 3.314 -9.293 1.00 0.00 N ATOM 986 CA VAL A 68 -5.064 4.649 -8.743 1.00 0.00 C ATOM 987 C VAL A 68 -4.156 5.670 -9.419 1.00 0.00 C ATOM 988 O VAL A 68 -2.978 5.406 -9.657 1.00 0.00 O ATOM 989 CB VAL A 68 -4.809 4.677 -7.225 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.196 6.028 -6.643 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.570 3.553 -6.536 1.00 0.00 C ATOM 0 H VAL A 68 -3.886 3.104 -9.533 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.105 4.910 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.744 4.525 -7.050 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.009 6.029 -5.569 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.603 6.811 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.254 6.214 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.378 3.588 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.638 3.672 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.239 2.593 -6.933 1.00 0.00 H new ATOM 1001 N SER A 69 -4.713 6.838 -9.725 1.00 0.00 N ATOM 1002 CA SER A 69 -3.954 7.899 -10.376 1.00 0.00 C ATOM 1003 C SER A 69 -3.990 9.179 -9.548 1.00 0.00 C ATOM 1004 O SER A 69 -4.231 10.266 -10.075 1.00 0.00 O ATOM 1005 CB SER A 69 -4.510 8.167 -11.776 1.00 0.00 C ATOM 1006 OG SER A 69 -4.014 7.225 -12.711 1.00 0.00 O ATOM 0 H SER A 69 -5.687 7.073 -9.532 1.00 0.00 H new ATOM 0 HA SER A 69 -2.918 7.572 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.599 8.122 -11.753 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.239 9.175 -12.092 1.00 0.00 H new ATOM 0 HG SER A 69 -3.731 6.414 -12.239 1.00 0.00 H new ATOM 1012 N SER A 70 -3.748 9.043 -8.248 1.00 0.00 N ATOM 1013 CA SER A 70 -3.756 10.188 -7.345 1.00 0.00 C ATOM 1014 C SER A 70 -2.973 9.881 -6.072 1.00 0.00 C ATOM 1015 O SER A 70 -2.705 8.720 -5.758 1.00 0.00 O ATOM 1016 CB SER A 70 -5.193 10.576 -6.992 1.00 0.00 C ATOM 1017 OG SER A 70 -5.941 10.878 -8.158 1.00 0.00 O ATOM 0 H SER A 70 -3.544 8.151 -7.797 1.00 0.00 H new ATOM 0 HA SER A 70 -3.276 11.024 -7.854 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.671 9.759 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.187 11.439 -6.326 1.00 0.00 H new ATOM 0 HG SER A 70 -5.329 11.047 -8.904 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.608 10.930 -5.342 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.856 10.774 -4.102 1.00 0.00 C ATOM 1025 C HIS A 71 -2.797 10.627 -2.910 1.00 0.00 C ATOM 1026 O HIS A 71 -2.473 11.039 -1.796 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.929 11.971 -3.889 1.00 0.00 C ATOM 1028 CG HIS A 71 -0.072 12.284 -5.078 1.00 0.00 C ATOM 1029 ND1 HIS A 71 -0.113 13.494 -5.737 1.00 0.00 N ATOM 1030 CD2 HIS A 71 0.852 11.536 -5.724 1.00 0.00 C ATOM 1031 CE1 HIS A 71 0.748 13.477 -6.738 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.347 12.299 -6.752 1.00 0.00 N ATOM 0 H HIS A 71 -2.821 11.897 -5.588 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.255 9.868 -4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.530 12.847 -3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.287 11.775 -3.030 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.145 10.526 -5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.931 14.288 -7.428 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.061 12.005 -7.418 1.00 0.00 H new ATOM 1041 N SER A 72 -3.964 10.038 -3.153 1.00 0.00 N ATOM 1042 CA SER A 72 -4.954 9.841 -2.101 1.00 0.00 C ATOM 1043 C SER A 72 -6.106 8.971 -2.595 1.00 0.00 C ATOM 1044 O SER A 72 -6.719 9.258 -3.623 1.00 0.00 O ATOM 1045 CB SER A 72 -5.491 11.190 -1.617 1.00 0.00 C ATOM 1046 OG SER A 72 -6.107 11.903 -2.675 1.00 0.00 O ATOM 0 H SER A 72 -4.247 9.689 -4.069 1.00 0.00 H new ATOM 0 HA SER A 72 -4.467 9.332 -1.269 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.211 11.031 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.675 11.782 -1.202 1.00 0.00 H new ATOM 0 HG SER A 72 -6.426 11.271 -3.353 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.393 7.906 -1.855 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.469 6.991 -2.218 1.00 0.00 C ATOM 1054 C TYR A 73 -8.246 6.545 -0.982 1.00 0.00 C ATOM 1055 O TYR A 73 -7.752 6.636 0.143 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.905 5.770 -2.947 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.967 4.895 -3.574 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.435 5.148 -4.857 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.500 3.814 -2.883 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.405 4.352 -5.433 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.470 3.011 -3.452 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.920 3.284 -4.727 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.885 2.488 -5.298 1.00 0.00 O ATOM 0 H TYR A 73 -5.896 7.655 -1.000 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.152 7.520 -2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.218 6.106 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.324 5.174 -2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.033 5.982 -5.414 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.150 3.598 -1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.759 4.564 -6.431 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.874 2.174 -2.901 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.139 1.780 -4.669 1.00 0.00 H new ATOM 1073 N THR A 74 -9.465 6.063 -1.200 1.00 0.00 N ATOM 1074 CA THR A 74 -10.312 5.604 -0.106 1.00 0.00 C ATOM 1075 C THR A 74 -10.896 4.228 -0.403 1.00 0.00 C ATOM 1076 O THR A 74 -11.616 4.048 -1.386 1.00 0.00 O ATOM 1077 CB THR A 74 -11.463 6.590 0.166 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.939 7.899 0.416 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.296 6.136 1.355 1.00 0.00 C ATOM 0 H THR A 74 -9.888 5.980 -2.124 1.00 0.00 H new ATOM 0 HA THR A 74 -9.679 5.544 0.779 1.00 0.00 H new ATOM 0 HB THR A 74 -12.103 6.618 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.630 7.956 1.344 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.103 6.849 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.718 5.153 1.149 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.665 6.081 2.242 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.583 3.260 0.451 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.079 1.900 0.280 1.00 0.00 C ATOM 1089 C ILE A 75 -12.236 1.613 1.231 1.00 0.00 C ATOM 1090 O ILE A 75 -12.035 1.428 2.430 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.967 0.861 0.514 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.875 1.002 -0.548 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.545 -0.546 0.502 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.595 0.275 -0.200 1.00 0.00 C ATOM 0 H ILE A 75 -9.988 3.392 1.269 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.429 1.819 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.522 1.042 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.252 0.622 -1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.655 2.060 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.746 -1.269 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.290 -0.640 1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -11.013 -0.739 -0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.866 0.419 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.194 0.670 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.801 -0.789 -0.084 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.448 1.576 0.686 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.638 1.310 1.486 1.00 0.00 C ATOM 1108 C ASN A 76 -15.045 -0.157 1.383 1.00 0.00 C ATOM 1109 O ASN A 76 -14.606 -0.873 0.484 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.793 2.205 1.033 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.798 2.428 -0.468 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -16.243 1.572 -1.232 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -15.300 3.582 -0.896 1.00 0.00 N ATOM 0 H ASN A 76 -13.632 1.727 -0.306 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.403 1.531 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.738 1.753 1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.724 3.167 1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.276 3.788 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.942 4.263 -0.226 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.890 -0.597 2.311 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.343 -1.976 2.307 1.00 0.00 C ATOM 1122 C GLY A 77 -15.414 -2.894 3.076 1.00 0.00 C ATOM 1123 O GLY A 77 -14.998 -3.936 2.567 1.00 0.00 O ATOM 0 H GLY A 77 -16.269 -0.024 3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.342 -2.028 2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.424 -2.326 1.278 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.085 -2.508 4.303 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.197 -3.304 5.144 1.00 0.00 C ATOM 1129 C LEU A 78 -14.877 -3.675 6.457 1.00 0.00 C ATOM 1130 O LEU A 78 -15.938 -3.146 6.791 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.904 -2.535 5.425 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.176 -1.977 4.201 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -10.902 -1.259 4.620 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.862 -3.092 3.214 1.00 0.00 C ATOM 0 H LEU A 78 -15.420 -1.648 4.739 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.957 -4.223 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.136 -1.706 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.221 -3.195 5.960 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.830 -1.257 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.397 -0.869 3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.152 -0.435 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.243 -1.958 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.344 -2.677 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.227 -3.836 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.790 -3.563 2.890 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.259 -4.586 7.201 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.802 -5.026 8.481 1.00 0.00 C ATOM 1148 C LYS A 79 -14.574 -3.972 9.560 1.00 0.00 C ATOM 1149 O LYS A 79 -13.690 -3.124 9.437 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.161 -6.350 8.902 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.769 -7.564 8.223 1.00 0.00 C ATOM 1152 CD LYS A 79 -16.029 -8.029 8.935 1.00 0.00 C ATOM 1153 CE LYS A 79 -15.700 -8.763 10.226 1.00 0.00 C ATOM 1154 NZ LYS A 79 -16.780 -8.612 11.240 1.00 0.00 N ATOM 0 H LYS A 79 -13.381 -5.034 6.939 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.876 -5.171 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.095 -6.315 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.256 -6.463 9.982 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.004 -7.323 7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.040 -8.375 8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.662 -7.170 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.599 -8.685 8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.547 -9.821 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.764 -8.381 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.518 -9.126 12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.909 -7.604 11.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.668 -9.000 10.862 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.375 -4.032 10.618 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.260 -3.086 11.721 1.00 0.00 C ATOM 1170 C LYS A 80 -14.227 -3.559 12.739 1.00 0.00 C ATOM 1171 O LYS A 80 -14.150 -4.748 13.052 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.616 -2.898 12.404 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.489 -1.845 11.744 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.966 -2.162 11.908 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.838 -1.146 11.185 1.00 0.00 C ATOM 1176 NZ LYS A 80 -21.251 -1.197 11.652 1.00 0.00 N ATOM 0 H LYS A 80 -16.112 -4.727 10.735 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.931 -2.130 11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.148 -3.850 12.406 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.453 -2.622 13.446 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.275 -0.869 12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.245 -1.782 10.684 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.170 -3.160 11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.221 -2.174 12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.438 -0.145 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.803 -1.335 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.813 -0.490 11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -21.641 -2.145 11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.288 -0.991 12.671 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.437 -2.623 13.253 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.409 -2.946 14.235 1.00 0.00 C ATOM 1192 C TYR A 81 -11.497 -4.057 13.724 1.00 0.00 C ATOM 1193 O TYR A 81 -11.270 -5.055 14.408 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.052 -3.366 15.558 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.093 -3.357 16.727 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.461 -2.185 17.124 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.819 -4.521 17.435 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.584 -2.172 18.191 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.944 -4.517 18.504 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.329 -3.341 18.878 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.456 -3.332 19.942 1.00 0.00 O ATOM 0 H TYR A 81 -13.489 -1.635 13.006 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.806 -2.053 14.399 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.884 -2.697 15.776 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.468 -4.367 15.448 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.659 -1.268 16.589 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.298 -5.444 17.145 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.101 -1.252 18.486 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.743 -5.430 19.044 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.388 -4.235 20.317 1.00 0.00 H new ATOM 1211 N THR A 82 -10.975 -3.876 12.515 1.00 0.00 N ATOM 1212 CA THR A 82 -10.088 -4.862 11.910 1.00 0.00 C ATOM 1213 C THR A 82 -8.876 -4.192 11.272 1.00 0.00 C ATOM 1214 O THR A 82 -8.990 -3.122 10.675 1.00 0.00 O ATOM 1215 CB THR A 82 -10.820 -5.696 10.842 1.00 0.00 C ATOM 1216 OG1 THR A 82 -11.892 -6.431 11.445 1.00 0.00 O ATOM 1217 CG2 THR A 82 -9.862 -6.658 10.156 1.00 0.00 C ATOM 0 H THR A 82 -11.151 -3.055 11.935 1.00 0.00 H new ATOM 0 HA THR A 82 -9.756 -5.522 12.711 1.00 0.00 H new ATOM 0 HB THR A 82 -11.223 -5.014 10.093 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.509 -5.809 11.884 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.402 -7.236 9.406 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.063 -6.094 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.433 -7.334 10.896 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.717 -4.830 11.402 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.483 -4.294 10.838 1.00 0.00 C ATOM 1227 C GLU A 83 -6.381 -4.617 9.349 1.00 0.00 C ATOM 1228 O GLU A 83 -6.920 -5.621 8.882 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.270 -4.860 11.578 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.082 -3.913 11.612 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.200 -4.127 12.827 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.101 -5.282 13.293 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.610 -3.139 13.312 1.00 0.00 O ATOM 0 H GLU A 83 -7.606 -5.718 11.892 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.499 -3.211 10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.560 -5.103 12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.967 -5.793 11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.488 -4.049 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.442 -2.884 11.606 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.688 -3.758 8.611 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.517 -3.948 7.175 1.00 0.00 C ATOM 1242 C TYR A 84 -4.150 -3.449 6.718 1.00 0.00 C ATOM 1243 O TYR A 84 -3.754 -2.324 7.022 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.621 -3.219 6.408 1.00 0.00 C ATOM 1245 CG TYR A 84 -7.925 -3.983 6.350 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.829 -3.935 7.404 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.252 -4.754 5.241 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -10.021 -4.632 7.356 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -9.442 -5.454 5.184 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.323 -5.389 6.243 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.509 -6.086 6.190 1.00 0.00 O ATOM 0 H TYR A 84 -5.235 -2.923 8.983 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.582 -5.016 6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.798 -2.250 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.278 -3.025 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.596 -3.342 8.276 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.565 -4.807 4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -10.712 -4.584 8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.681 -6.049 4.315 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.568 -6.567 5.338 1.00 0.00 H new ATOM 1261 N SER A 85 -3.433 -4.296 5.985 1.00 0.00 N ATOM 1262 CA SER A 85 -2.109 -3.943 5.487 1.00 0.00 C ATOM 1263 C SER A 85 -2.210 -3.143 4.192 1.00 0.00 C ATOM 1264 O SER A 85 -3.069 -3.408 3.351 1.00 0.00 O ATOM 1265 CB SER A 85 -1.275 -5.206 5.257 1.00 0.00 C ATOM 1266 OG SER A 85 0.105 -4.947 5.446 1.00 0.00 O ATOM 0 H SER A 85 -3.747 -5.231 5.723 1.00 0.00 H new ATOM 0 HA SER A 85 -1.619 -3.323 6.238 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.599 -5.989 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.443 -5.578 4.246 1.00 0.00 H new ATOM 0 HG SER A 85 0.579 -5.065 4.597 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.326 -2.163 4.040 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.315 -1.322 2.848 1.00 0.00 C ATOM 1274 C PHE A 86 0.112 -1.079 2.367 1.00 0.00 C ATOM 1275 O PHE A 86 1.017 -0.840 3.168 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.003 0.015 3.135 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.480 -0.112 3.378 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.352 -0.334 2.324 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.996 -0.008 4.660 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.712 -0.450 2.545 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.355 -0.124 4.886 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.213 -0.346 3.828 1.00 0.00 C ATOM 0 H PHE A 86 -0.608 -1.931 4.727 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.861 -1.843 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.537 0.475 4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.838 0.688 2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.965 -0.417 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.329 0.166 5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.382 -0.622 1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.745 -0.041 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.275 -0.438 4.003 1.00 0.00 H new ATOM 1292 N ARG A 87 0.307 -1.141 1.054 1.00 0.00 N ATOM 1293 CA ARG A 87 1.624 -0.930 0.466 1.00 0.00 C ATOM 1294 C ARG A 87 1.504 -0.335 -0.935 1.00 0.00 C ATOM 1295 O ARG A 87 0.711 -0.800 -1.753 1.00 0.00 O ATOM 1296 CB ARG A 87 2.397 -2.249 0.407 1.00 0.00 C ATOM 1297 CG ARG A 87 1.862 -3.223 -0.630 1.00 0.00 C ATOM 1298 CD ARG A 87 2.778 -4.426 -0.789 1.00 0.00 C ATOM 1299 NE ARG A 87 2.420 -5.511 0.120 1.00 0.00 N ATOM 1300 CZ ARG A 87 2.992 -6.710 0.095 1.00 0.00 C ATOM 1301 NH1 ARG A 87 3.945 -6.975 -0.788 1.00 0.00 N ATOM 1302 NH2 ARG A 87 2.611 -7.646 0.955 1.00 0.00 N ATOM 0 H ARG A 87 -0.431 -1.336 0.377 1.00 0.00 H new ATOM 0 HA ARG A 87 2.168 -0.226 1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.444 -2.037 0.188 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.366 -2.723 1.388 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.867 -3.558 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.758 -2.715 -1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.730 -4.784 -1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.809 -4.124 -0.604 1.00 0.00 H new ATOM 0 HE ARG A 87 1.691 -5.339 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.241 -6.258 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.383 -7.896 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.879 -7.445 1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.051 -8.566 0.935 1.00 0.00 H new ATOM 1316 N VAL A 88 2.298 0.696 -1.203 1.00 0.00 N ATOM 1317 CA VAL A 88 2.282 1.355 -2.504 1.00 0.00 C ATOM 1318 C VAL A 88 3.477 0.930 -3.350 1.00 0.00 C ATOM 1319 O VAL A 88 4.600 0.832 -2.853 1.00 0.00 O ATOM 1320 CB VAL A 88 2.291 2.888 -2.357 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.370 3.555 -3.722 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.061 3.357 -1.595 1.00 0.00 C ATOM 0 H VAL A 88 2.961 1.093 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 88 1.361 1.050 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 88 3.174 3.176 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.375 4.638 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.284 3.243 -4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.507 3.263 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.084 4.443 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.163 3.059 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.054 2.906 -0.603 1.00 0.00 H new ATOM 1332 N VAL A 89 3.229 0.678 -4.631 1.00 0.00 N ATOM 1333 CA VAL A 89 4.285 0.264 -5.548 1.00 0.00 C ATOM 1334 C VAL A 89 4.359 1.193 -6.755 1.00 0.00 C ATOM 1335 O VAL A 89 3.343 1.499 -7.379 1.00 0.00 O ATOM 1336 CB VAL A 89 4.069 -1.180 -6.037 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.206 -1.610 -6.951 1.00 0.00 C ATOM 1338 CG2 VAL A 89 3.936 -2.128 -4.855 1.00 0.00 C ATOM 0 H VAL A 89 2.306 0.753 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 89 5.223 0.315 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 89 3.142 -1.217 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.036 -2.633 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.249 -0.947 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.149 -1.559 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.784 -3.144 -5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.845 -2.090 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.084 -1.830 -4.244 1.00 0.00 H new ATOM 1348 N ALA A 90 5.569 1.637 -7.079 1.00 0.00 N ATOM 1349 CA ALA A 90 5.777 2.529 -8.213 1.00 0.00 C ATOM 1350 C ALA A 90 6.014 1.739 -9.496 1.00 0.00 C ATOM 1351 O ALA A 90 6.966 0.964 -9.592 1.00 0.00 O ATOM 1352 CB ALA A 90 6.947 3.463 -7.942 1.00 0.00 C ATOM 0 H ALA A 90 6.420 1.394 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 90 4.874 3.125 -8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.091 4.123 -8.797 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.738 4.059 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.851 2.876 -7.781 1.00 0.00 H new ATOM 1358 N TYR A 91 5.143 1.940 -10.478 1.00 0.00 N ATOM 1359 CA TYR A 91 5.256 1.244 -11.754 1.00 0.00 C ATOM 1360 C TYR A 91 5.605 2.217 -12.876 1.00 0.00 C ATOM 1361 O TYR A 91 4.814 3.094 -13.220 1.00 0.00 O ATOM 1362 CB TYR A 91 3.950 0.519 -12.081 1.00 0.00 C ATOM 1363 CG TYR A 91 3.824 -0.832 -11.413 1.00 0.00 C ATOM 1364 CD1 TYR A 91 4.287 -1.984 -12.038 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.241 -0.957 -10.158 1.00 0.00 C ATOM 1366 CE1 TYR A 91 4.174 -3.220 -11.432 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.125 -2.189 -9.544 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.592 -3.317 -10.185 1.00 0.00 C ATOM 1369 OH TYR A 91 3.477 -4.547 -9.577 1.00 0.00 O ATOM 0 H TYR A 91 4.351 2.579 -10.415 1.00 0.00 H new ATOM 0 HA TYR A 91 6.059 0.512 -11.669 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.111 1.145 -11.777 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.877 0.389 -13.161 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.743 -1.911 -13.014 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.872 -0.076 -9.654 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.539 -4.105 -11.931 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.671 -2.268 -8.567 1.00 0.00 H new ATOM 0 HH TYR A 91 2.770 -4.512 -8.899 1.00 0.00 H new ATOM 1379 N ASN A 92 6.796 2.054 -13.443 1.00 0.00 N ATOM 1380 CA ASN A 92 7.251 2.917 -14.527 1.00 0.00 C ATOM 1381 C ASN A 92 7.648 2.093 -15.749 1.00 0.00 C ATOM 1382 O ASN A 92 7.737 0.867 -15.683 1.00 0.00 O ATOM 1383 CB ASN A 92 8.436 3.768 -14.066 1.00 0.00 C ATOM 1384 CG ASN A 92 9.685 2.940 -13.831 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.607 1.747 -13.538 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.846 3.572 -13.958 1.00 0.00 N ATOM 0 H ASN A 92 7.463 1.332 -13.170 1.00 0.00 H new ATOM 0 HA ASN A 92 6.427 3.573 -14.805 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.645 4.531 -14.815 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.170 4.289 -13.146 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.720 3.067 -13.811 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.864 4.562 -14.202 1.00 0.00 H new ATOM 1393 N LYS A 93 7.885 2.775 -16.864 1.00 0.00 N ATOM 1394 CA LYS A 93 8.273 2.109 -18.101 1.00 0.00 C ATOM 1395 C LYS A 93 9.310 1.023 -17.832 1.00 0.00 C ATOM 1396 O LYS A 93 9.178 -0.106 -18.305 1.00 0.00 O ATOM 1397 CB LYS A 93 8.832 3.126 -19.099 1.00 0.00 C ATOM 1398 CG LYS A 93 10.060 3.863 -18.593 1.00 0.00 C ATOM 1399 CD LYS A 93 10.514 4.930 -19.575 1.00 0.00 C ATOM 1400 CE LYS A 93 11.328 4.331 -20.712 1.00 0.00 C ATOM 1401 NZ LYS A 93 11.714 5.358 -21.719 1.00 0.00 N ATOM 0 H LYS A 93 7.815 3.790 -16.936 1.00 0.00 H new ATOM 0 HA LYS A 93 7.385 1.642 -18.526 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.084 2.612 -20.026 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.055 3.853 -19.338 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.838 4.324 -17.631 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.869 3.152 -18.427 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.644 5.446 -19.981 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.112 5.677 -19.052 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.226 3.863 -20.308 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.750 3.545 -21.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.267 4.910 -22.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.857 5.787 -22.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.288 6.095 -21.261 1.00 0.00 H new ATOM 1415 N HIS A 94 10.341 1.372 -17.069 1.00 0.00 N ATOM 1416 CA HIS A 94 11.400 0.426 -16.735 1.00 0.00 C ATOM 1417 C HIS A 94 10.824 -0.821 -16.069 1.00 0.00 C ATOM 1418 O HIS A 94 11.014 -1.937 -16.551 1.00 0.00 O ATOM 1419 CB HIS A 94 12.427 1.082 -15.812 1.00 0.00 C ATOM 1420 CG HIS A 94 13.153 2.230 -16.444 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.965 2.090 -17.550 1.00 0.00 N ATOM 1422 CD2 HIS A 94 13.183 3.544 -16.121 1.00 0.00 C ATOM 1423 CE1 HIS A 94 14.465 3.268 -17.878 1.00 0.00 C ATOM 1424 NE2 HIS A 94 14.006 4.167 -17.027 1.00 0.00 N ATOM 0 H HIS A 94 10.466 2.303 -16.670 1.00 0.00 H new ATOM 0 HA HIS A 94 11.892 0.128 -17.661 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.922 1.433 -14.912 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.153 0.332 -15.498 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.658 4.015 -15.303 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.135 3.463 -18.702 1.00 0.00 H new ATOM 0 HE2 HIS A 94 14.227 5.163 -17.040 1.00 0.00 H new ATOM 1433 N GLY A 95 10.121 -0.622 -14.958 1.00 0.00 N ATOM 1434 CA GLY A 95 9.530 -1.739 -14.245 1.00 0.00 C ATOM 1435 C GLY A 95 9.276 -1.424 -12.784 1.00 0.00 C ATOM 1436 O GLY A 95 9.670 -0.374 -12.275 1.00 0.00 O ATOM 0 H GLY A 95 9.950 0.292 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.590 -2.015 -14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.190 -2.603 -14.318 1.00 0.00 H new ATOM 1440 N PRO A 96 8.601 -2.348 -12.084 1.00 0.00 N ATOM 1441 CA PRO A 96 8.278 -2.185 -10.663 1.00 0.00 C ATOM 1442 C PRO A 96 9.514 -2.274 -9.775 1.00 0.00 C ATOM 1443 O PRO A 96 10.077 -3.350 -9.584 1.00 0.00 O ATOM 1444 CB PRO A 96 7.330 -3.353 -10.379 1.00 0.00 C ATOM 1445 CG PRO A 96 7.680 -4.382 -11.398 1.00 0.00 C ATOM 1446 CD PRO A 96 8.101 -3.622 -12.626 1.00 0.00 C ATOM 0 HA PRO A 96 7.846 -1.207 -10.452 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.465 -3.736 -9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.288 -3.047 -10.467 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.485 -5.026 -11.042 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.827 -5.026 -11.611 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.874 -4.153 -13.182 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.266 -3.468 -13.309 1.00 0.00 H new ATOM 1454 N GLY A 97 9.930 -1.133 -9.233 1.00 0.00 N ATOM 1455 CA GLY A 97 11.097 -1.104 -8.370 1.00 0.00 C ATOM 1456 C GLY A 97 10.894 -1.897 -7.094 1.00 0.00 C ATOM 1457 O GLY A 97 10.766 -3.121 -7.129 1.00 0.00 O ATOM 0 H GLY A 97 9.480 -0.229 -9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.955 -1.504 -8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.333 -0.070 -8.118 1.00 0.00 H new ATOM 1461 N VAL A 98 10.867 -1.199 -5.963 1.00 0.00 N ATOM 1462 CA VAL A 98 10.680 -1.846 -4.670 1.00 0.00 C ATOM 1463 C VAL A 98 9.265 -1.626 -4.146 1.00 0.00 C ATOM 1464 O VAL A 98 8.449 -0.965 -4.789 1.00 0.00 O ATOM 1465 CB VAL A 98 11.688 -1.323 -3.629 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.083 -1.853 -3.924 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.681 0.198 -3.600 1.00 0.00 C ATOM 0 H VAL A 98 10.972 -0.186 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 98 10.847 -2.912 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 98 11.389 -1.684 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.782 -1.473 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.073 -2.942 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.395 -1.524 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.399 0.551 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.955 0.582 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.684 0.552 -3.337 1.00 0.00 H new ATOM 1477 N SER A 99 8.980 -2.184 -2.974 1.00 0.00 N ATOM 1478 CA SER A 99 7.663 -2.052 -2.364 1.00 0.00 C ATOM 1479 C SER A 99 7.775 -1.526 -0.936 1.00 0.00 C ATOM 1480 O SER A 99 8.540 -2.050 -0.126 1.00 0.00 O ATOM 1481 CB SER A 99 6.939 -3.400 -2.367 1.00 0.00 C ATOM 1482 OG SER A 99 5.740 -3.337 -1.613 1.00 0.00 O ATOM 0 H SER A 99 9.644 -2.732 -2.428 1.00 0.00 H new ATOM 0 HA SER A 99 7.088 -1.337 -2.952 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.713 -3.692 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.592 -4.168 -1.953 1.00 0.00 H new ATOM 0 HG SER A 99 4.978 -3.228 -2.219 1.00 0.00 H new ATOM 1488 N THR A 100 7.006 -0.483 -0.634 1.00 0.00 N ATOM 1489 CA THR A 100 7.019 0.116 0.694 1.00 0.00 C ATOM 1490 C THR A 100 6.717 -0.922 1.769 1.00 0.00 C ATOM 1491 O THR A 100 6.117 -1.965 1.507 1.00 0.00 O ATOM 1492 CB THR A 100 5.997 1.263 0.802 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.809 0.932 0.074 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.581 2.561 0.264 1.00 0.00 C ATOM 0 H THR A 100 6.367 -0.037 -1.292 1.00 0.00 H new ATOM 0 HA THR A 100 8.021 0.516 0.851 1.00 0.00 H new ATOM 0 HB THR A 100 5.751 1.402 1.855 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.950 1.107 -0.880 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.841 3.356 0.351 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.468 2.827 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.853 2.431 -0.784 1.00 0.00 H new ATOM 1502 N PRO A 101 7.140 -0.631 3.008 1.00 0.00 N ATOM 1503 CA PRO A 101 6.924 -1.527 4.148 1.00 0.00 C ATOM 1504 C PRO A 101 5.458 -1.599 4.560 1.00 0.00 C ATOM 1505 O PRO A 101 4.799 -0.572 4.725 1.00 0.00 O ATOM 1506 CB PRO A 101 7.762 -0.893 5.261 1.00 0.00 C ATOM 1507 CG PRO A 101 7.849 0.548 4.895 1.00 0.00 C ATOM 1508 CD PRO A 101 7.861 0.594 3.392 1.00 0.00 C ATOM 0 HA PRO A 101 7.204 -2.555 3.917 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.292 -1.026 6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.751 -1.347 5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 101 7.001 1.104 5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.751 1.001 5.306 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.365 1.488 3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.877 0.602 2.998 1.00 0.00 H new ATOM 1516 N ASP A 102 4.953 -2.817 4.724 1.00 0.00 N ATOM 1517 CA ASP A 102 3.564 -3.022 5.118 1.00 0.00 C ATOM 1518 C ASP A 102 3.121 -1.960 6.120 1.00 0.00 C ATOM 1519 O ASP A 102 3.798 -1.712 7.117 1.00 0.00 O ATOM 1520 CB ASP A 102 3.383 -4.416 5.720 1.00 0.00 C ATOM 1521 CG ASP A 102 4.211 -5.467 5.006 1.00 0.00 C ATOM 1522 OD1 ASP A 102 3.916 -5.755 3.828 1.00 0.00 O ATOM 1523 OD2 ASP A 102 5.154 -6.001 5.627 1.00 0.00 O ATOM 0 H ASP A 102 5.485 -3.677 4.590 1.00 0.00 H new ATOM 0 HA ASP A 102 2.943 -2.936 4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.661 -4.393 6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.330 -4.694 5.674 1.00 0.00 H new ATOM 1528 N VAL A 103 1.980 -1.335 5.847 1.00 0.00 N ATOM 1529 CA VAL A 103 1.446 -0.300 6.724 1.00 0.00 C ATOM 1530 C VAL A 103 0.085 -0.701 7.283 1.00 0.00 C ATOM 1531 O VAL A 103 -0.947 -0.172 6.870 1.00 0.00 O ATOM 1532 CB VAL A 103 1.309 1.045 5.986 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.521 2.038 6.827 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.681 1.602 5.636 1.00 0.00 C ATOM 0 H VAL A 103 1.408 -1.528 5.025 1.00 0.00 H new ATOM 0 HA VAL A 103 2.153 -0.185 7.545 1.00 0.00 H new ATOM 0 HB VAL A 103 0.762 0.877 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.435 2.982 6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.474 1.640 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.038 2.205 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.566 2.552 5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.255 1.756 6.550 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.207 0.897 4.992 1.00 0.00 H new ATOM 1544 N ALA A 104 0.092 -1.639 8.224 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.142 -2.110 8.842 1.00 0.00 C ATOM 1546 C ALA A 104 -1.823 -0.994 9.626 1.00 0.00 C ATOM 1547 O ALA A 104 -1.163 -0.201 10.298 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.858 -3.298 9.749 1.00 0.00 C ATOM 0 H ALA A 104 0.938 -2.088 8.575 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.819 -2.427 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.788 -3.639 10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.422 -4.107 9.163 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.160 -3.000 10.531 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.148 -0.937 9.536 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.920 0.082 10.238 1.00 0.00 C ATOM 1556 C VAL A 105 -5.254 -0.474 10.721 1.00 0.00 C ATOM 1557 O VAL A 105 -5.918 -1.228 10.009 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.181 1.306 9.340 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.211 0.974 8.271 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.632 2.493 10.176 1.00 0.00 C ATOM 0 H VAL A 105 -3.710 -1.585 8.984 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.327 0.392 11.098 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.249 1.575 8.842 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.383 1.851 7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.843 0.155 7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.146 0.679 8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.812 3.349 9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.551 2.238 10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.856 2.744 10.900 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.642 -0.098 11.935 1.00 0.00 N ATOM 1571 CA ARG A 106 -6.898 -0.559 12.514 1.00 0.00 C ATOM 1572 C ARG A 106 -8.032 0.410 12.195 1.00 0.00 C ATOM 1573 O ARG A 106 -7.884 1.625 12.335 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.758 -0.718 14.029 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.818 -1.613 14.648 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.804 -1.526 16.166 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.541 -1.996 16.730 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.260 -3.278 16.936 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.148 -4.212 16.626 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.088 -3.627 17.452 1.00 0.00 N ATOM 0 H ARG A 106 -5.104 0.525 12.537 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.138 -1.528 12.075 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.773 -1.127 14.253 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.808 0.266 14.495 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.801 -1.326 14.275 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.649 -2.645 14.340 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.976 -0.494 16.471 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.624 -2.119 16.571 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.836 -1.302 16.979 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.049 -3.947 16.228 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.930 -5.196 16.785 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.402 -2.911 17.691 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.873 -4.612 17.610 1.00 0.00 H new ATOM 1594 N THR A 107 -9.166 -0.135 11.766 1.00 0.00 N ATOM 1595 CA THR A 107 -10.325 0.681 11.426 1.00 0.00 C ATOM 1596 C THR A 107 -11.084 1.107 12.678 1.00 0.00 C ATOM 1597 O THR A 107 -10.881 0.551 13.758 1.00 0.00 O ATOM 1598 CB THR A 107 -11.287 -0.073 10.488 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.335 -1.458 10.846 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.849 0.067 9.038 1.00 0.00 C ATOM 0 H THR A 107 -9.306 -1.138 11.646 1.00 0.00 H new ATOM 0 HA THR A 107 -9.949 1.566 10.914 1.00 0.00 H new ATOM 0 HB THR A 107 -12.280 0.363 10.595 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.088 -1.888 10.389 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.543 -0.473 8.394 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.842 1.121 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.847 -0.346 8.919 1.00 0.00 H new ATOM 1608 N LEU A 108 -11.959 2.095 12.526 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.749 2.596 13.645 1.00 0.00 C ATOM 1610 C LEU A 108 -13.780 1.563 14.089 1.00 0.00 C ATOM 1611 O LEU A 108 -14.383 0.878 13.262 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.451 3.899 13.257 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.550 5.012 12.722 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.382 6.207 12.283 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.532 5.427 13.775 1.00 0.00 C ATOM 0 H LEU A 108 -12.139 2.565 11.639 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.072 2.789 14.478 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.203 3.672 12.501 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.982 4.277 14.131 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.011 4.631 11.854 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.724 6.989 11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.071 5.901 11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.948 6.588 13.133 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.899 6.220 13.377 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.053 5.789 14.662 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.914 4.569 14.042 1.00 0.00 H new ATOM 1627 N SER A 109 -13.978 1.457 15.399 1.00 0.00 N ATOM 1628 CA SER A 109 -14.935 0.506 15.953 1.00 0.00 C ATOM 1629 C SER A 109 -16.288 1.171 16.186 1.00 0.00 C ATOM 1630 O SER A 109 -16.378 2.205 16.847 1.00 0.00 O ATOM 1631 CB SER A 109 -14.406 -0.075 17.266 1.00 0.00 C ATOM 1632 OG SER A 109 -15.445 -0.696 18.004 1.00 0.00 O ATOM 0 H SER A 109 -13.489 2.018 16.097 1.00 0.00 H new ATOM 0 HA SER A 109 -15.066 -0.302 15.233 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.621 -0.801 17.056 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.955 0.718 17.863 1.00 0.00 H new ATOM 0 HG SER A 109 -15.081 -1.061 18.838 1.00 0.00 H new