USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 77:sc= 0.35 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 71 HIS : no HD1:sc= 0.381 K(o=0.73,f=-2.9) USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0.00842 USER MOD Set 2.2: A 91 TYR OH : rot -4:sc= 0.00877 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0.479 USER MOD Set 3.2: A 74 THR OG1 : rot -78:sc= 0.526 USER MOD Single : A 23 ASN : amide:sc= -1.4 K(o=-1.4,f=-4!) 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= -0.31 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00231 USER MOD Single : A 49 GLN : amide:sc= -0.395 K(o=-0.4,f=-1.2) USER MOD Single : A 50 ASN : amide:sc= -0.408! C(o=-0.41!,f=-4.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -157:sc= -0.066 (180deg=-0.326) USER MOD Single : A 60 THR OG1 : rot 89:sc= 0.684 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.67 K(o=-0.67,f=-5!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 119:sc= 0.282 USER MOD Single : A 72 SER OG : rot 23:sc= 0.209 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.6! K(o=-1.6!,f=0.061) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0202) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 57:sc= 0.421 USER MOD Single : A 84 TYR OH : rot 100:sc= 0.0173 USER MOD Single : A 85 SER OG : rot -170:sc= -1.03 USER MOD Single : A 92 ASN : amide:sc= -6.12 K(o=-6.1,f=-17!) USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= -0.0401 (180deg=-0.328) USER MOD Single : A 94 HIS : no HD1:sc= -0.215 X(o=-0.21,f=-0.068) USER MOD Single : A 99 SER OG : rot 40:sc= -0.278 USER MOD Single : A 100 THR OG1 : rot 130:sc= 0.869 USER MOD Single : A 107 THR OG1 : rot 172:sc= 0.87 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 14.917 1.318 -11.231 1.00 0.00 N ATOM 215 CA LEU A 17 13.541 1.309 -10.746 1.00 0.00 C ATOM 216 C LEU A 17 13.288 2.481 -9.804 1.00 0.00 C ATOM 217 O LEU A 17 14.204 3.020 -9.184 1.00 0.00 O ATOM 218 CB LEU A 17 13.240 -0.009 -10.031 1.00 0.00 C ATOM 219 CG LEU A 17 13.115 -1.244 -10.924 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.291 -2.514 -10.106 1.00 0.00 C ATOM 221 CD2 LEU A 17 11.772 -1.251 -11.640 1.00 0.00 C ATOM 0 HA LEU A 17 12.878 1.408 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.029 -0.192 -9.301 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.311 0.107 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 17 13.904 -1.207 -11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.199 -3.383 -10.758 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.276 -2.513 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.524 -2.558 -9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.701 -2.137 -12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.968 -1.264 -10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.685 -0.357 -12.258 1.00 0.00 H new ATOM 233 N PRO A 18 12.014 2.886 -9.692 1.00 0.00 N ATOM 234 CA PRO A 18 11.610 3.997 -8.825 1.00 0.00 C ATOM 235 C PRO A 18 11.734 3.652 -7.345 1.00 0.00 C ATOM 236 O PRO A 18 11.881 2.487 -6.979 1.00 0.00 O ATOM 237 CB PRO A 18 10.143 4.224 -9.200 1.00 0.00 C ATOM 238 CG PRO A 18 9.678 2.910 -9.726 1.00 0.00 C ATOM 239 CD PRO A 18 10.870 2.290 -10.402 1.00 0.00 C ATOM 0 HA PRO A 18 12.241 4.874 -8.966 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.557 4.534 -8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.043 5.008 -9.950 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.312 2.274 -8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.855 3.040 -10.428 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.863 1.204 -10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.893 2.521 -11.467 1.00 0.00 H new ATOM 247 N GLY A 19 11.672 4.674 -6.497 1.00 0.00 N ATOM 248 CA GLY A 19 11.779 4.458 -5.066 1.00 0.00 C ATOM 249 C GLY A 19 10.425 4.376 -4.389 1.00 0.00 C ATOM 250 O GLY A 19 9.390 4.676 -4.985 1.00 0.00 O ATOM 0 H GLY A 19 11.550 5.648 -6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.331 3.536 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.356 5.269 -4.621 1.00 0.00 H new ATOM 254 N PRO A 20 10.421 3.959 -3.114 1.00 0.00 N ATOM 255 CA PRO A 20 9.190 3.827 -2.329 1.00 0.00 C ATOM 256 C PRO A 20 8.570 5.179 -1.992 1.00 0.00 C ATOM 257 O PRO A 20 9.127 5.950 -1.212 1.00 0.00 O ATOM 258 CB PRO A 20 9.657 3.120 -1.054 1.00 0.00 C ATOM 259 CG PRO A 20 11.100 3.469 -0.934 1.00 0.00 C ATOM 260 CD PRO A 20 11.617 3.584 -2.341 1.00 0.00 C ATOM 0 HA PRO A 20 8.415 3.287 -2.873 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.094 3.459 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.515 2.042 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.231 4.406 -0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.642 2.702 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.400 4.338 -2.421 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.043 2.644 -2.691 1.00 0.00 H new ATOM 268 N ALA A 21 7.414 5.458 -2.584 1.00 0.00 N ATOM 269 CA ALA A 21 6.717 6.716 -2.344 1.00 0.00 C ATOM 270 C ALA A 21 6.904 7.181 -0.904 1.00 0.00 C ATOM 271 O ALA A 21 6.457 6.536 0.045 1.00 0.00 O ATOM 272 CB ALA A 21 5.237 6.570 -2.666 1.00 0.00 C ATOM 0 H ALA A 21 6.940 4.830 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 21 7.147 7.472 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.729 7.517 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.118 6.292 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.802 5.796 -2.034 1.00 0.00 H new ATOM 278 N PRO A 22 7.580 8.327 -0.734 1.00 0.00 N ATOM 279 CA PRO A 22 7.841 8.903 0.588 1.00 0.00 C ATOM 280 C PRO A 22 6.575 9.438 1.248 1.00 0.00 C ATOM 281 O PRO A 22 5.510 9.472 0.633 1.00 0.00 O ATOM 282 CB PRO A 22 8.814 10.047 0.291 1.00 0.00 C ATOM 283 CG PRO A 22 8.536 10.422 -1.124 1.00 0.00 C ATOM 284 CD PRO A 22 8.141 9.149 -1.820 1.00 0.00 C ATOM 0 HA PRO A 22 8.233 8.162 1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.652 10.890 0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.849 9.730 0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.738 11.162 -1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.416 10.865 -1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.408 9.331 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.998 8.665 -2.289 1.00 0.00 H new ATOM 292 N ASN A 23 6.699 9.856 2.504 1.00 0.00 N ATOM 293 CA ASN A 23 5.563 10.389 3.247 1.00 0.00 C ATOM 294 C ASN A 23 4.343 9.486 3.099 1.00 0.00 C ATOM 295 O ASN A 23 3.246 9.951 2.787 1.00 0.00 O ATOM 296 CB ASN A 23 5.228 11.801 2.763 1.00 0.00 C ATOM 297 CG ASN A 23 6.430 12.725 2.797 1.00 0.00 C ATOM 298 OD1 ASN A 23 6.850 13.254 1.767 1.00 0.00 O ATOM 299 ND2 ASN A 23 6.991 12.923 3.984 1.00 0.00 N ATOM 0 H ASN A 23 7.574 9.836 3.028 1.00 0.00 H new ATOM 0 HA ASN A 23 5.837 10.429 4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.841 11.751 1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.436 12.217 3.386 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.803 13.534 4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.610 12.464 4.811 1.00 0.00 H new ATOM 306 N LEU A 24 4.541 8.192 3.325 1.00 0.00 N ATOM 307 CA LEU A 24 3.457 7.222 3.217 1.00 0.00 C ATOM 308 C LEU A 24 2.658 7.152 4.515 1.00 0.00 C ATOM 309 O LEU A 24 3.104 6.561 5.499 1.00 0.00 O ATOM 310 CB LEU A 24 4.015 5.839 2.874 1.00 0.00 C ATOM 311 CG LEU A 24 3.004 4.692 2.857 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.027 4.859 1.703 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.719 3.352 2.764 1.00 0.00 C ATOM 0 H LEU A 24 5.442 7.790 3.584 1.00 0.00 H new ATOM 0 HA LEU A 24 2.791 7.547 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.489 5.893 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.797 5.596 3.593 1.00 0.00 H new ATOM 0 HG LEU A 24 2.440 4.716 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.315 4.034 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.491 5.801 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.574 4.862 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.984 2.547 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.309 3.317 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.377 3.230 3.624 1.00 0.00 H new ATOM 325 N ARG A 25 1.475 7.757 4.508 1.00 0.00 N ATOM 326 CA ARG A 25 0.613 7.762 5.684 1.00 0.00 C ATOM 327 C ARG A 25 -0.660 6.959 5.430 1.00 0.00 C ATOM 328 O ARG A 25 -1.052 6.746 4.283 1.00 0.00 O ATOM 329 CB ARG A 25 0.254 9.197 6.073 1.00 0.00 C ATOM 330 CG ARG A 25 1.392 10.185 5.875 1.00 0.00 C ATOM 331 CD ARG A 25 2.304 10.235 7.090 1.00 0.00 C ATOM 332 NE ARG A 25 1.588 10.643 8.296 1.00 0.00 N ATOM 333 CZ ARG A 25 2.189 10.954 9.439 1.00 0.00 C ATOM 334 NH1 ARG A 25 3.511 10.905 9.531 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.468 11.315 10.492 1.00 0.00 N ATOM 0 H ARG A 25 1.091 8.250 3.702 1.00 0.00 H new ATOM 0 HA ARG A 25 1.158 7.295 6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.603 9.521 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.053 9.215 7.119 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.971 9.903 4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.984 11.178 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.751 9.253 7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.122 10.931 6.901 1.00 0.00 H new ATOM 0 HE ARG A 25 0.570 10.692 8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.069 10.628 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.970 11.144 10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.451 11.354 10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.931 11.554 11.369 1.00 0.00 H new ATOM 349 N ALA A 26 -1.299 6.516 6.507 1.00 0.00 N ATOM 350 CA ALA A 26 -2.527 5.739 6.401 1.00 0.00 C ATOM 351 C ALA A 26 -3.386 5.895 7.651 1.00 0.00 C ATOM 352 O ALA A 26 -2.901 5.738 8.772 1.00 0.00 O ATOM 353 CB ALA A 26 -2.204 4.272 6.160 1.00 0.00 C ATOM 0 H ALA A 26 -0.986 6.682 7.464 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.096 6.119 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.131 3.703 6.083 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.638 4.171 5.234 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.611 3.889 6.991 1.00 0.00 H new ATOM 359 N TYR A 27 -4.662 6.205 7.452 1.00 0.00 N ATOM 360 CA TYR A 27 -5.588 6.385 8.564 1.00 0.00 C ATOM 361 C TYR A 27 -6.985 5.898 8.194 1.00 0.00 C ATOM 362 O TYR A 27 -7.416 6.025 7.049 1.00 0.00 O ATOM 363 CB TYR A 27 -5.641 7.857 8.977 1.00 0.00 C ATOM 364 CG TYR A 27 -5.794 8.807 7.812 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.685 9.269 7.115 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.050 9.243 7.407 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.820 10.139 6.051 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.196 10.111 6.342 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.078 10.557 5.667 1.00 0.00 C ATOM 370 OH TYR A 27 -6.217 11.421 4.606 1.00 0.00 O ATOM 0 H TYR A 27 -5.079 6.337 6.531 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.227 5.791 9.404 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.473 8.003 9.666 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.730 8.106 9.521 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.699 8.942 7.411 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.927 8.897 7.934 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.946 10.490 5.522 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.180 10.439 6.039 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.167 11.616 4.465 1.00 0.00 H new ATOM 380 N ALA A 28 -7.689 5.340 9.174 1.00 0.00 N ATOM 381 CA ALA A 28 -9.039 4.836 8.954 1.00 0.00 C ATOM 382 C ALA A 28 -10.069 5.955 9.072 1.00 0.00 C ATOM 383 O ALA A 28 -10.443 6.354 10.174 1.00 0.00 O ATOM 384 CB ALA A 28 -9.353 3.721 9.941 1.00 0.00 C ATOM 0 H ALA A 28 -7.346 5.226 10.128 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.090 4.436 7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.364 3.354 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.642 2.905 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.278 4.104 10.959 1.00 0.00 H new ATOM 390 N ALA A 29 -10.522 6.459 7.928 1.00 0.00 N ATOM 391 CA ALA A 29 -11.509 7.531 7.904 1.00 0.00 C ATOM 392 C ALA A 29 -12.837 7.067 8.492 1.00 0.00 C ATOM 393 O ALA A 29 -13.445 7.766 9.304 1.00 0.00 O ATOM 394 CB ALA A 29 -11.706 8.034 6.481 1.00 0.00 C ATOM 0 H ALA A 29 -10.221 6.142 7.006 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.136 8.350 8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.446 8.835 6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.760 8.413 6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.054 7.216 5.851 1.00 0.00 H new ATOM 400 N SER A 30 -13.283 5.886 8.077 1.00 0.00 N ATOM 401 CA SER A 30 -14.542 5.332 8.560 1.00 0.00 C ATOM 402 C SER A 30 -14.356 3.895 9.037 1.00 0.00 C ATOM 403 O SER A 30 -13.373 3.228 8.713 1.00 0.00 O ATOM 404 CB SER A 30 -15.602 5.382 7.458 1.00 0.00 C ATOM 405 OG SER A 30 -16.352 6.582 7.525 1.00 0.00 O ATOM 0 H SER A 30 -12.791 5.294 7.407 1.00 0.00 H new ATOM 0 HA SER A 30 -14.876 5.936 9.403 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.121 5.304 6.483 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.270 4.526 7.553 1.00 0.00 H new ATOM 0 HG SER A 30 -17.021 6.590 6.809 1.00 0.00 H new ATOM 411 N PRO A 31 -15.322 3.404 9.828 1.00 0.00 N ATOM 412 CA PRO A 31 -15.289 2.042 10.367 1.00 0.00 C ATOM 413 C PRO A 31 -15.500 0.986 9.287 1.00 0.00 C ATOM 414 O PRO A 31 -15.434 -0.214 9.556 1.00 0.00 O ATOM 415 CB PRO A 31 -16.450 2.026 11.365 1.00 0.00 C ATOM 416 CG PRO A 31 -17.385 3.077 10.874 1.00 0.00 C ATOM 417 CD PRO A 31 -16.523 4.142 10.255 1.00 0.00 C ATOM 0 HA PRO A 31 -14.323 1.804 10.813 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.933 1.049 11.395 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.106 2.243 12.376 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.084 2.668 10.144 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.980 3.483 11.692 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.020 4.622 9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.279 4.927 10.970 1.00 0.00 H new ATOM 425 N THR A 32 -15.755 1.439 8.064 1.00 0.00 N ATOM 426 CA THR A 32 -15.977 0.534 6.944 1.00 0.00 C ATOM 427 C THR A 32 -15.124 0.925 5.743 1.00 0.00 C ATOM 428 O THR A 32 -15.290 0.385 4.649 1.00 0.00 O ATOM 429 CB THR A 32 -17.458 0.514 6.522 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.891 1.839 6.191 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.331 -0.046 7.635 1.00 0.00 C ATOM 0 H THR A 32 -15.813 2.429 7.824 1.00 0.00 H new ATOM 0 HA THR A 32 -15.690 -0.462 7.282 1.00 0.00 H new ATOM 0 HB THR A 32 -17.555 -0.129 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.833 1.818 5.922 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.372 -0.050 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.018 -1.065 7.865 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.229 0.575 8.525 1.00 0.00 H new ATOM 439 N SER A 33 -14.209 1.866 5.954 1.00 0.00 N ATOM 440 CA SER A 33 -13.331 2.332 4.888 1.00 0.00 C ATOM 441 C SER A 33 -11.970 2.741 5.444 1.00 0.00 C ATOM 442 O SER A 33 -11.776 2.797 6.658 1.00 0.00 O ATOM 443 CB SER A 33 -13.969 3.511 4.151 1.00 0.00 C ATOM 444 OG SER A 33 -13.595 4.744 4.742 1.00 0.00 O ATOM 0 H SER A 33 -14.057 2.321 6.854 1.00 0.00 H new ATOM 0 HA SER A 33 -13.185 1.511 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.664 3.498 3.105 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.054 3.410 4.168 1.00 0.00 H new ATOM 0 HG SER A 33 -14.014 5.482 4.252 1.00 0.00 H new ATOM 450 N ILE A 34 -11.032 3.024 4.546 1.00 0.00 N ATOM 451 CA ILE A 34 -9.690 3.429 4.946 1.00 0.00 C ATOM 452 C ILE A 34 -9.051 4.330 3.894 1.00 0.00 C ATOM 453 O ILE A 34 -8.962 3.967 2.721 1.00 0.00 O ATOM 454 CB ILE A 34 -8.781 2.209 5.182 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.299 1.378 6.357 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.349 2.656 5.433 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.508 0.112 6.598 1.00 0.00 C ATOM 0 H ILE A 34 -11.177 2.980 3.537 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.792 3.981 5.880 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.795 1.586 4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.277 1.988 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.341 1.116 6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.719 1.782 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.983 3.209 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.317 3.298 6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.932 -0.426 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.551 -0.518 5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.470 0.367 6.812 1.00 0.00 H new ATOM 469 N THR A 35 -8.606 5.507 4.323 1.00 0.00 N ATOM 470 CA THR A 35 -7.974 6.460 3.419 1.00 0.00 C ATOM 471 C THR A 35 -6.455 6.412 3.543 1.00 0.00 C ATOM 472 O THR A 35 -5.908 6.524 4.640 1.00 0.00 O ATOM 473 CB THR A 35 -8.455 7.897 3.693 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.827 8.036 3.309 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.606 8.906 2.933 1.00 0.00 C ATOM 0 H THR A 35 -8.672 5.823 5.291 1.00 0.00 H new ATOM 0 HA THR A 35 -8.262 6.175 2.407 1.00 0.00 H new ATOM 0 HB THR A 35 -8.355 8.092 4.761 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.126 8.952 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.964 9.914 3.142 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.566 8.818 3.249 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.678 8.710 1.863 1.00 0.00 H new ATOM 483 N VAL A 36 -5.779 6.245 2.411 1.00 0.00 N ATOM 484 CA VAL A 36 -4.322 6.184 2.393 1.00 0.00 C ATOM 485 C VAL A 36 -3.735 7.322 1.567 1.00 0.00 C ATOM 486 O VAL A 36 -4.118 7.531 0.415 1.00 0.00 O ATOM 487 CB VAL A 36 -3.824 4.841 1.826 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.323 4.700 2.029 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.569 3.682 2.469 1.00 0.00 C ATOM 0 H VAL A 36 -6.217 6.150 1.495 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.988 6.280 3.426 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.025 4.822 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.989 3.745 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.809 5.513 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.094 4.741 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.204 2.741 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.402 3.695 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.636 3.778 2.266 1.00 0.00 H new ATOM 499 N THR A 37 -2.800 8.057 2.162 1.00 0.00 N ATOM 500 CA THR A 37 -2.159 9.175 1.481 1.00 0.00 C ATOM 501 C THR A 37 -0.650 8.976 1.398 1.00 0.00 C ATOM 502 O THR A 37 -0.032 8.451 2.325 1.00 0.00 O ATOM 503 CB THR A 37 -2.451 10.508 2.194 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.809 10.530 3.474 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.948 10.712 2.369 1.00 0.00 C ATOM 0 H THR A 37 -2.470 7.898 3.114 1.00 0.00 H new ATOM 0 HA THR A 37 -2.574 9.212 0.474 1.00 0.00 H new ATOM 0 HB THR A 37 -2.060 11.317 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.998 11.382 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.129 11.660 2.875 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.430 10.724 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.359 9.898 2.966 1.00 0.00 H new ATOM 513 N TRP A 38 -0.063 9.398 0.285 1.00 0.00 N ATOM 514 CA TRP A 38 1.376 9.267 0.082 1.00 0.00 C ATOM 515 C TRP A 38 1.922 10.442 -0.721 1.00 0.00 C ATOM 516 O TRP A 38 1.180 11.353 -1.086 1.00 0.00 O ATOM 517 CB TRP A 38 1.693 7.953 -0.634 1.00 0.00 C ATOM 518 CG TRP A 38 0.949 7.786 -1.925 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.344 8.216 -3.160 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.318 7.144 -2.108 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.398 7.881 -4.099 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.630 7.222 -3.479 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.217 6.510 -1.247 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.804 6.690 -4.006 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.382 5.983 -1.771 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.667 6.075 -3.140 1.00 0.00 C ATOM 0 H TRP A 38 -0.560 9.834 -0.491 1.00 0.00 H new ATOM 0 HA TRP A 38 1.857 9.265 1.060 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.764 7.904 -0.831 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.452 7.120 0.027 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.264 8.742 -3.368 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.453 8.089 -5.096 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.005 6.433 -0.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.026 6.760 -5.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.085 5.492 -1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.586 5.652 -3.519 1.00 0.00 H new ATOM 537 N GLU A 39 3.224 10.415 -0.992 1.00 0.00 N ATOM 538 CA GLU A 39 3.868 11.480 -1.751 1.00 0.00 C ATOM 539 C GLU A 39 4.551 10.923 -2.997 1.00 0.00 C ATOM 540 O GLU A 39 4.735 9.713 -3.131 1.00 0.00 O ATOM 541 CB GLU A 39 4.890 12.211 -0.879 1.00 0.00 C ATOM 542 CG GLU A 39 4.299 13.363 -0.084 1.00 0.00 C ATOM 543 CD GLU A 39 4.242 14.653 -0.878 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.706 14.631 -2.006 1.00 0.00 O ATOM 545 OE2 GLU A 39 4.733 15.684 -0.373 1.00 0.00 O ATOM 0 H GLU A 39 3.852 9.668 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 39 3.098 12.185 -2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.342 11.499 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.690 12.592 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.293 13.097 0.241 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.894 13.521 0.816 1.00 0.00 H new ATOM 552 N THR A 40 4.925 11.816 -3.909 1.00 0.00 N ATOM 553 CA THR A 40 5.586 11.415 -5.144 1.00 0.00 C ATOM 554 C THR A 40 7.087 11.250 -4.937 1.00 0.00 C ATOM 555 O THR A 40 7.748 12.086 -4.319 1.00 0.00 O ATOM 556 CB THR A 40 5.344 12.440 -6.268 1.00 0.00 C ATOM 557 OG1 THR A 40 3.947 12.507 -6.578 1.00 0.00 O ATOM 558 CG2 THR A 40 6.129 12.069 -7.518 1.00 0.00 C ATOM 0 H THR A 40 4.781 12.821 -3.815 1.00 0.00 H new ATOM 0 HA THR A 40 5.156 10.457 -5.436 1.00 0.00 H new ATOM 0 HB THR A 40 5.686 13.415 -5.920 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.483 13.023 -5.886 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.942 12.807 -8.298 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.194 12.048 -7.286 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.814 11.085 -7.867 1.00 0.00 H new ATOM 566 N PRO A 41 7.641 10.149 -5.465 1.00 0.00 N ATOM 567 CA PRO A 41 9.071 9.850 -5.351 1.00 0.00 C ATOM 568 C PRO A 41 9.930 10.798 -6.181 1.00 0.00 C ATOM 569 O PRO A 41 9.526 11.232 -7.260 1.00 0.00 O ATOM 570 CB PRO A 41 9.179 8.421 -5.889 1.00 0.00 C ATOM 571 CG PRO A 41 8.013 8.272 -6.804 1.00 0.00 C ATOM 572 CD PRO A 41 6.913 9.111 -6.214 1.00 0.00 C ATOM 0 HA PRO A 41 9.430 9.963 -4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.120 8.267 -6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.144 7.690 -5.081 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.262 8.607 -7.811 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.709 7.228 -6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.279 9.544 -6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.266 8.524 -5.562 1.00 0.00 H new ATOM 580 N VAL A 42 11.115 11.115 -5.671 1.00 0.00 N ATOM 581 CA VAL A 42 12.032 12.011 -6.367 1.00 0.00 C ATOM 582 C VAL A 42 12.705 11.307 -7.539 1.00 0.00 C ATOM 583 O VAL A 42 13.932 11.260 -7.628 1.00 0.00 O ATOM 584 CB VAL A 42 13.116 12.553 -5.417 1.00 0.00 C ATOM 585 CG1 VAL A 42 12.492 13.422 -4.335 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.907 11.408 -4.803 1.00 0.00 C ATOM 0 H VAL A 42 11.463 10.765 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 42 11.437 12.844 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 42 13.804 13.171 -5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.273 13.796 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.975 14.263 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.781 12.831 -3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.669 11.809 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.234 10.762 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.386 10.831 -5.594 1.00 0.00 H new ATOM 650 N ILE A 48 7.635 8.153 -13.252 1.00 0.00 N ATOM 651 CA ILE A 48 6.567 7.290 -12.762 1.00 0.00 C ATOM 652 C ILE A 48 5.429 7.196 -13.772 1.00 0.00 C ATOM 653 O ILE A 48 5.044 8.193 -14.382 1.00 0.00 O ATOM 654 CB ILE A 48 6.007 7.794 -11.419 1.00 0.00 C ATOM 655 CG1 ILE A 48 7.139 7.979 -10.406 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.962 6.827 -10.883 1.00 0.00 C ATOM 657 CD1 ILE A 48 8.046 6.774 -10.287 1.00 0.00 C ATOM 0 HA ILE A 48 7.002 6.301 -12.616 1.00 0.00 H new ATOM 0 HB ILE A 48 5.529 8.760 -11.582 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.735 8.845 -10.693 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.709 8.198 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.576 7.198 -9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.144 6.742 -11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.416 5.847 -10.733 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.825 6.976 -9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.463 5.910 -9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.505 6.567 -11.254 1.00 0.00 H new ATOM 669 N GLN A 49 4.893 5.991 -13.941 1.00 0.00 N ATOM 670 CA GLN A 49 3.797 5.768 -14.876 1.00 0.00 C ATOM 671 C GLN A 49 2.457 5.739 -14.148 1.00 0.00 C ATOM 672 O GLN A 49 1.557 6.521 -14.453 1.00 0.00 O ATOM 673 CB GLN A 49 4.006 4.457 -15.636 1.00 0.00 C ATOM 674 CG GLN A 49 5.301 4.415 -16.432 1.00 0.00 C ATOM 675 CD GLN A 49 5.460 5.610 -17.350 1.00 0.00 C ATOM 676 OE1 GLN A 49 4.477 6.171 -17.835 1.00 0.00 O ATOM 677 NE2 GLN A 49 6.703 6.007 -17.595 1.00 0.00 N ATOM 0 H GLN A 49 5.200 5.155 -13.443 1.00 0.00 H new ATOM 0 HA GLN A 49 3.786 6.594 -15.587 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.999 3.630 -14.926 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.167 4.302 -16.314 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.145 4.376 -15.744 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.330 3.500 -17.024 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.489 5.513 -17.172 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.872 6.806 -18.206 1.00 0.00 H new ATOM 686 N ASN A 50 2.332 4.832 -13.184 1.00 0.00 N ATOM 687 CA ASN A 50 1.101 4.701 -12.413 1.00 0.00 C ATOM 688 C ASN A 50 1.405 4.342 -10.962 1.00 0.00 C ATOM 689 O ASN A 50 2.550 4.065 -10.606 1.00 0.00 O ATOM 690 CB ASN A 50 0.196 3.636 -13.035 1.00 0.00 C ATOM 691 CG ASN A 50 -1.169 3.582 -12.378 1.00 0.00 C ATOM 692 OD1 ASN A 50 -1.685 4.597 -11.908 1.00 0.00 O ATOM 693 ND2 ASN A 50 -1.763 2.395 -12.343 1.00 0.00 N ATOM 0 H ASN A 50 3.068 4.177 -12.918 1.00 0.00 H new ATOM 0 HA ASN A 50 0.586 5.661 -12.431 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.076 3.841 -14.099 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.676 2.661 -12.950 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.684 2.298 -11.914 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.299 1.580 -12.745 1.00 0.00 H new ATOM 700 N TYR A 51 0.370 4.349 -10.128 1.00 0.00 N ATOM 701 CA TYR A 51 0.526 4.026 -8.715 1.00 0.00 C ATOM 702 C TYR A 51 -0.365 2.852 -8.323 1.00 0.00 C ATOM 703 O TYR A 51 -1.590 2.923 -8.429 1.00 0.00 O ATOM 704 CB TYR A 51 0.192 5.244 -7.852 1.00 0.00 C ATOM 705 CG TYR A 51 1.146 6.401 -8.042 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.429 6.364 -7.509 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.765 7.532 -8.754 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.304 7.419 -7.680 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.635 8.591 -8.931 1.00 0.00 C ATOM 710 CZ TYR A 51 2.903 8.530 -8.392 1.00 0.00 C ATOM 711 OH TYR A 51 3.771 9.584 -8.565 1.00 0.00 O ATOM 0 H TYR A 51 -0.585 4.575 -10.406 1.00 0.00 H new ATOM 0 HA TYR A 51 1.565 3.743 -8.546 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.820 5.577 -8.084 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.198 4.948 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.747 5.495 -6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.228 7.584 -9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.297 7.374 -7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.324 9.462 -9.489 1.00 0.00 H new ATOM 0 HH TYR A 51 3.333 10.286 -9.090 1.00 0.00 H new ATOM 721 N LYS A 52 0.258 1.770 -7.869 1.00 0.00 N ATOM 722 CA LYS A 52 -0.475 0.579 -7.459 1.00 0.00 C ATOM 723 C LYS A 52 -0.709 0.575 -5.952 1.00 0.00 C ATOM 724 O LYS A 52 0.222 0.769 -5.169 1.00 0.00 O ATOM 725 CB LYS A 52 0.288 -0.683 -7.870 1.00 0.00 C ATOM 726 CG LYS A 52 -0.584 -1.924 -7.945 1.00 0.00 C ATOM 727 CD LYS A 52 -1.397 -1.957 -9.228 1.00 0.00 C ATOM 728 CE LYS A 52 -0.647 -2.668 -10.345 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.307 -2.475 -11.666 1.00 0.00 N ATOM 0 H LYS A 52 1.271 1.694 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.443 0.590 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.752 -0.516 -8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.094 -0.858 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.042 -2.814 -7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.255 -1.950 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.346 -2.462 -9.046 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.632 -0.939 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.376 -2.293 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.586 -3.733 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.766 -2.974 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.274 -2.855 -11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.342 -1.460 -11.892 1.00 0.00 H new ATOM 743 N LEU A 53 -1.956 0.354 -5.551 1.00 0.00 N ATOM 744 CA LEU A 53 -2.311 0.323 -4.136 1.00 0.00 C ATOM 745 C LEU A 53 -2.779 -1.068 -3.722 1.00 0.00 C ATOM 746 O LEU A 53 -3.718 -1.616 -4.300 1.00 0.00 O ATOM 747 CB LEU A 53 -3.406 1.351 -3.843 1.00 0.00 C ATOM 748 CG LEU A 53 -3.960 1.353 -2.418 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.866 1.702 -1.421 1.00 0.00 C ATOM 750 CD2 LEU A 53 -5.123 2.327 -2.300 1.00 0.00 C ATOM 0 H LEU A 53 -2.738 0.194 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.422 0.573 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.012 2.344 -4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.232 1.179 -4.533 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.326 0.352 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.279 1.699 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.065 0.966 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.470 2.692 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.505 2.316 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.782 3.332 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.916 2.032 -2.987 1.00 0.00 H new ATOM 762 N TYR A 54 -2.120 -1.633 -2.716 1.00 0.00 N ATOM 763 CA TYR A 54 -2.469 -2.960 -2.224 1.00 0.00 C ATOM 764 C TYR A 54 -3.216 -2.870 -0.896 1.00 0.00 C ATOM 765 O TYR A 54 -3.060 -1.905 -0.148 1.00 0.00 O ATOM 766 CB TYR A 54 -1.210 -3.812 -2.057 1.00 0.00 C ATOM 767 CG TYR A 54 -0.519 -4.134 -3.363 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.115 -3.123 -4.226 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.270 -5.450 -3.733 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.515 -3.413 -5.421 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.362 -5.749 -4.925 1.00 0.00 C ATOM 772 CZ TYR A 54 0.752 -4.728 -5.765 1.00 0.00 C ATOM 773 OH TYR A 54 1.381 -5.020 -6.954 1.00 0.00 O ATOM 0 H TYR A 54 -1.342 -1.193 -2.226 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.124 -3.431 -2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.511 -3.288 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.475 -4.743 -1.557 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.297 -2.093 -3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.575 -6.253 -3.078 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.820 -2.615 -6.082 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.549 -6.777 -5.197 1.00 0.00 H new ATOM 0 HH TYR A 54 1.473 -5.991 -7.045 1.00 0.00 H new ATOM 783 N TYR A 55 -4.026 -3.884 -0.611 1.00 0.00 N ATOM 784 CA TYR A 55 -4.799 -3.920 0.624 1.00 0.00 C ATOM 785 C TYR A 55 -5.248 -5.343 0.944 1.00 0.00 C ATOM 786 O TYR A 55 -5.796 -6.039 0.091 1.00 0.00 O ATOM 787 CB TYR A 55 -6.016 -3.001 0.516 1.00 0.00 C ATOM 788 CG TYR A 55 -7.106 -3.543 -0.381 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.946 -3.572 -1.761 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.296 -4.024 0.150 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.939 -4.066 -2.585 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.294 -4.521 -0.666 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.111 -4.539 -2.033 1.00 0.00 C ATOM 794 OH TYR A 55 -10.103 -5.032 -2.849 1.00 0.00 O ATOM 0 H TYR A 55 -4.164 -4.692 -1.219 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.159 -3.569 1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.426 -2.836 1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.695 -2.030 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.030 -3.202 -2.197 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.444 -4.009 1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.798 -4.082 -3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.212 -4.893 -0.236 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.861 -5.326 -2.302 1.00 0.00 H new ATOM 804 N MET A 56 -5.011 -5.767 2.182 1.00 0.00 N ATOM 805 CA MET A 56 -5.393 -7.105 2.616 1.00 0.00 C ATOM 806 C MET A 56 -5.565 -7.157 4.131 1.00 0.00 C ATOM 807 O MET A 56 -4.976 -6.357 4.858 1.00 0.00 O ATOM 808 CB MET A 56 -4.342 -8.127 2.176 1.00 0.00 C ATOM 809 CG MET A 56 -3.241 -8.347 3.201 1.00 0.00 C ATOM 810 SD MET A 56 -1.758 -9.075 2.481 1.00 0.00 S ATOM 811 CE MET A 56 -1.296 -10.238 3.762 1.00 0.00 C ATOM 0 H MET A 56 -4.557 -5.204 2.901 1.00 0.00 H new ATOM 0 HA MET A 56 -6.347 -7.352 2.151 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.834 -9.078 1.974 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.894 -7.795 1.239 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.985 -7.394 3.664 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.612 -8.997 3.993 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.392 -10.769 3.463 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.110 -9.700 4.692 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.104 -10.954 3.912 1.00 0.00 H new ATOM 821 N GLU A 57 -6.375 -8.101 4.599 1.00 0.00 N ATOM 822 CA GLU A 57 -6.624 -8.254 6.027 1.00 0.00 C ATOM 823 C GLU A 57 -5.504 -9.049 6.693 1.00 0.00 C ATOM 824 O GLU A 57 -5.118 -10.117 6.218 1.00 0.00 O ATOM 825 CB GLU A 57 -7.967 -8.950 6.261 1.00 0.00 C ATOM 826 CG GLU A 57 -8.435 -8.898 7.706 1.00 0.00 C ATOM 827 CD GLU A 57 -9.478 -9.953 8.019 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.577 -9.895 7.428 1.00 0.00 O ATOM 829 OE2 GLU A 57 -9.196 -10.837 8.855 1.00 0.00 O ATOM 0 H GLU A 57 -6.870 -8.771 4.010 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.655 -7.260 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.722 -8.487 5.626 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.886 -9.992 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.578 -9.032 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.848 -7.911 7.915 1.00 0.00 H new ATOM 836 N LYS A 58 -4.986 -8.519 7.795 1.00 0.00 N ATOM 837 CA LYS A 58 -3.911 -9.177 8.528 1.00 0.00 C ATOM 838 C LYS A 58 -4.312 -10.593 8.928 1.00 0.00 C ATOM 839 O LYS A 58 -4.982 -10.797 9.940 1.00 0.00 O ATOM 840 CB LYS A 58 -3.546 -8.368 9.775 1.00 0.00 C ATOM 841 CG LYS A 58 -2.086 -8.490 10.174 1.00 0.00 C ATOM 842 CD LYS A 58 -1.250 -7.368 9.581 1.00 0.00 C ATOM 843 CE LYS A 58 -0.635 -7.775 8.251 1.00 0.00 C ATOM 844 NZ LYS A 58 0.408 -8.825 8.419 1.00 0.00 N ATOM 0 H LYS A 58 -5.293 -7.635 8.201 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.042 -9.236 7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.779 -7.318 9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.170 -8.697 10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.002 -8.472 11.261 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.696 -9.451 9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.872 -6.484 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.460 -7.093 10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.417 -8.143 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.196 -6.900 7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.057 -8.802 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.941 -8.648 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.046 -9.759 8.474 1.00 0.00 H new ATOM 858 N GLY A 59 -3.897 -11.570 8.127 1.00 0.00 N ATOM 859 CA GLY A 59 -4.222 -12.955 8.416 1.00 0.00 C ATOM 860 C GLY A 59 -5.024 -13.605 7.306 1.00 0.00 C ATOM 861 O GLY A 59 -5.944 -14.382 7.567 1.00 0.00 O ATOM 0 H GLY A 59 -3.342 -11.427 7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.301 -13.517 8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.787 -13.006 9.347 1.00 0.00 H new ATOM 865 N THR A 60 -4.678 -13.287 6.063 1.00 0.00 N ATOM 866 CA THR A 60 -5.374 -13.844 4.910 1.00 0.00 C ATOM 867 C THR A 60 -4.393 -14.465 3.922 1.00 0.00 C ATOM 868 O THR A 60 -4.738 -15.392 3.189 1.00 0.00 O ATOM 869 CB THR A 60 -6.205 -12.770 4.183 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.662 -11.787 5.119 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.396 -13.395 3.474 1.00 0.00 C ATOM 0 H THR A 60 -3.920 -12.646 5.829 1.00 0.00 H new ATOM 0 HA THR A 60 -6.043 -14.617 5.288 1.00 0.00 H new ATOM 0 HB THR A 60 -5.569 -12.293 3.438 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.990 -11.079 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.968 -12.617 2.968 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.043 -14.121 2.741 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.032 -13.896 4.204 1.00 0.00 H new ATOM 879 N ASP A 61 -3.168 -13.951 3.909 1.00 0.00 N ATOM 880 CA ASP A 61 -2.135 -14.457 3.012 1.00 0.00 C ATOM 881 C ASP A 61 -2.518 -14.221 1.555 1.00 0.00 C ATOM 882 O ASP A 61 -2.084 -14.948 0.661 1.00 0.00 O ATOM 883 CB ASP A 61 -1.904 -15.949 3.257 1.00 0.00 C ATOM 884 CG ASP A 61 -0.836 -16.206 4.301 1.00 0.00 C ATOM 885 OD1 ASP A 61 0.259 -15.616 4.187 1.00 0.00 O ATOM 886 OD2 ASP A 61 -1.095 -16.996 5.233 1.00 0.00 O ATOM 0 H ASP A 61 -2.866 -13.184 4.510 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.212 -13.916 3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.838 -16.411 3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.616 -16.427 2.321 1.00 0.00 H new ATOM 891 N LYS A 62 -3.335 -13.199 1.321 1.00 0.00 N ATOM 892 CA LYS A 62 -3.778 -12.866 -0.028 1.00 0.00 C ATOM 893 C LYS A 62 -3.988 -11.363 -0.176 1.00 0.00 C ATOM 894 O LYS A 62 -4.915 -10.797 0.403 1.00 0.00 O ATOM 895 CB LYS A 62 -5.074 -13.608 -0.360 1.00 0.00 C ATOM 896 CG LYS A 62 -4.850 -14.968 -0.998 1.00 0.00 C ATOM 897 CD LYS A 62 -4.725 -14.862 -2.509 1.00 0.00 C ATOM 898 CE LYS A 62 -6.087 -14.898 -3.185 1.00 0.00 C ATOM 899 NZ LYS A 62 -6.016 -14.439 -4.600 1.00 0.00 N ATOM 0 H LYS A 62 -3.704 -12.587 2.049 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.000 -13.177 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.654 -13.736 0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.672 -12.994 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.946 -15.419 -0.588 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.679 -15.630 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.213 -13.935 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.110 -15.681 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.482 -15.913 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.783 -14.267 -2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.964 -14.478 -5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.663 -13.461 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.371 -15.057 -5.133 1.00 0.00 H new ATOM 913 N GLU A 63 -3.123 -10.722 -0.955 1.00 0.00 N ATOM 914 CA GLU A 63 -3.216 -9.284 -1.178 1.00 0.00 C ATOM 915 C GLU A 63 -3.744 -8.984 -2.578 1.00 0.00 C ATOM 916 O GLU A 63 -3.541 -9.763 -3.509 1.00 0.00 O ATOM 917 CB GLU A 63 -1.848 -8.626 -0.985 1.00 0.00 C ATOM 918 CG GLU A 63 -1.916 -7.115 -0.834 1.00 0.00 C ATOM 919 CD GLU A 63 -0.642 -6.529 -0.257 1.00 0.00 C ATOM 920 OE1 GLU A 63 0.452 -7.000 -0.634 1.00 0.00 O ATOM 921 OE2 GLU A 63 -0.738 -5.601 0.573 1.00 0.00 O ATOM 0 H GLU A 63 -2.350 -11.175 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.915 -8.873 -0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.371 -9.050 -0.101 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.213 -8.870 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.110 -6.665 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.756 -6.855 -0.189 1.00 0.00 H new ATOM 928 N GLN A 64 -4.421 -7.849 -2.718 1.00 0.00 N ATOM 929 CA GLN A 64 -4.980 -7.446 -4.003 1.00 0.00 C ATOM 930 C GLN A 64 -4.348 -6.145 -4.487 1.00 0.00 C ATOM 931 O GLN A 64 -3.626 -5.480 -3.744 1.00 0.00 O ATOM 932 CB GLN A 64 -6.497 -7.282 -3.896 1.00 0.00 C ATOM 933 CG GLN A 64 -7.236 -8.591 -3.670 1.00 0.00 C ATOM 934 CD GLN A 64 -7.402 -8.921 -2.200 1.00 0.00 C ATOM 935 OE1 GLN A 64 -6.688 -8.391 -1.348 1.00 0.00 O ATOM 936 NE2 GLN A 64 -8.349 -9.801 -1.894 1.00 0.00 N ATOM 0 H GLN A 64 -4.596 -7.192 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.758 -8.229 -4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.723 -6.600 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.869 -6.817 -4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.218 -8.535 -4.139 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.694 -9.399 -4.161 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.918 -10.216 -2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.507 -10.062 -0.921 1.00 0.00 H new ATOM 945 N ASP A 65 -4.625 -5.788 -5.737 1.00 0.00 N ATOM 946 CA ASP A 65 -4.085 -4.565 -6.320 1.00 0.00 C ATOM 947 C ASP A 65 -5.187 -3.750 -6.990 1.00 0.00 C ATOM 948 O ASP A 65 -5.952 -4.270 -7.802 1.00 0.00 O ATOM 949 CB ASP A 65 -2.991 -4.900 -7.336 1.00 0.00 C ATOM 950 CG ASP A 65 -3.552 -5.475 -8.622 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.400 -6.388 -8.543 1.00 0.00 O ATOM 952 OD2 ASP A 65 -3.143 -5.011 -9.706 1.00 0.00 O ATOM 0 H ASP A 65 -5.220 -6.328 -6.365 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.654 -3.968 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.421 -3.999 -7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.296 -5.614 -6.895 1.00 0.00 H new ATOM 957 N VAL A 66 -5.262 -2.469 -6.642 1.00 0.00 N ATOM 958 CA VAL A 66 -6.270 -1.581 -7.209 1.00 0.00 C ATOM 959 C VAL A 66 -5.622 -0.413 -7.944 1.00 0.00 C ATOM 960 O VAL A 66 -4.665 0.187 -7.455 1.00 0.00 O ATOM 961 CB VAL A 66 -7.210 -1.031 -6.120 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.979 -2.163 -5.457 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.423 -0.234 -5.091 1.00 0.00 C ATOM 0 H VAL A 66 -4.637 -2.023 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.852 -2.173 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.931 -0.362 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.638 -1.755 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.574 -2.686 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.277 -2.860 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.103 0.147 -4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.678 -0.878 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.923 0.601 -5.582 1.00 0.00 H new ATOM 973 N ASP A 67 -6.151 -0.095 -9.120 1.00 0.00 N ATOM 974 CA ASP A 67 -5.626 1.004 -9.923 1.00 0.00 C ATOM 975 C ASP A 67 -5.969 2.350 -9.292 1.00 0.00 C ATOM 976 O ASP A 67 -7.139 2.676 -9.097 1.00 0.00 O ATOM 977 CB ASP A 67 -6.184 0.937 -11.345 1.00 0.00 C ATOM 978 CG ASP A 67 -7.486 1.700 -11.493 1.00 0.00 C ATOM 979 OD1 ASP A 67 -8.555 1.101 -11.252 1.00 0.00 O ATOM 980 OD2 ASP A 67 -7.436 2.895 -11.852 1.00 0.00 O ATOM 0 H ASP A 67 -6.943 -0.582 -9.539 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.541 0.907 -9.962 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.448 1.341 -12.040 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.344 -0.105 -11.621 1.00 0.00 H new ATOM 985 N VAL A 68 -4.939 3.128 -8.974 1.00 0.00 N ATOM 986 CA VAL A 68 -5.130 4.439 -8.365 1.00 0.00 C ATOM 987 C VAL A 68 -4.380 5.518 -9.137 1.00 0.00 C ATOM 988 O VAL A 68 -3.182 5.394 -9.393 1.00 0.00 O ATOM 989 CB VAL A 68 -4.659 4.450 -6.899 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.791 5.845 -6.307 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.444 3.438 -6.079 1.00 0.00 C ATOM 0 H VAL A 68 -3.964 2.873 -9.128 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.199 4.651 -8.397 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.607 4.167 -6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.454 5.834 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.180 6.543 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.834 6.159 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.098 3.460 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.505 3.688 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.293 2.440 -6.491 1.00 0.00 H new ATOM 1001 N SER A 69 -5.092 6.578 -9.506 1.00 0.00 N ATOM 1002 CA SER A 69 -4.495 7.679 -10.252 1.00 0.00 C ATOM 1003 C SER A 69 -4.536 8.971 -9.441 1.00 0.00 C ATOM 1004 O SER A 69 -4.972 10.012 -9.933 1.00 0.00 O ATOM 1005 CB SER A 69 -5.223 7.875 -11.583 1.00 0.00 C ATOM 1006 OG SER A 69 -5.083 6.735 -12.414 1.00 0.00 O ATOM 0 H SER A 69 -6.084 6.697 -9.300 1.00 0.00 H new ATOM 0 HA SER A 69 -3.453 7.428 -10.450 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.280 8.066 -11.398 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.825 8.752 -12.093 1.00 0.00 H new ATOM 0 HG SER A 69 -5.559 6.885 -13.258 1.00 0.00 H new ATOM 1012 N SER A 70 -4.081 8.895 -8.195 1.00 0.00 N ATOM 1013 CA SER A 70 -4.069 10.056 -7.313 1.00 0.00 C ATOM 1014 C SER A 70 -3.142 9.826 -6.123 1.00 0.00 C ATOM 1015 O SER A 70 -2.708 8.702 -5.868 1.00 0.00 O ATOM 1016 CB SER A 70 -5.484 10.362 -6.819 1.00 0.00 C ATOM 1017 OG SER A 70 -6.113 9.195 -6.319 1.00 0.00 O ATOM 0 H SER A 70 -3.716 8.041 -7.773 1.00 0.00 H new ATOM 0 HA SER A 70 -3.697 10.909 -7.881 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.444 11.120 -6.037 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.076 10.777 -7.635 1.00 0.00 H new ATOM 0 HG SER A 70 -6.332 9.322 -5.372 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.842 10.898 -5.398 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.967 10.814 -4.234 1.00 0.00 C ATOM 1025 C HIS A 71 -2.724 10.276 -3.023 1.00 0.00 C ATOM 1026 O HIS A 71 -2.125 9.728 -2.098 1.00 0.00 O ATOM 1027 CB HIS A 71 -1.378 12.188 -3.913 1.00 0.00 C ATOM 1028 CG HIS A 71 -0.420 12.687 -4.950 1.00 0.00 C ATOM 1029 ND1 HIS A 71 -0.448 13.973 -5.445 1.00 0.00 N ATOM 1030 CD2 HIS A 71 0.600 12.063 -5.586 1.00 0.00 C ATOM 1031 CE1 HIS A 71 0.511 14.119 -6.341 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.162 12.975 -6.445 1.00 0.00 N ATOM 0 H HIS A 71 -3.192 11.836 -5.596 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.156 10.125 -4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.191 12.906 -3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.867 12.139 -2.952 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.913 11.039 -5.444 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.726 15.021 -6.895 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.954 12.798 -7.063 1.00 0.00 H new ATOM 1041 N SER A 72 -4.043 10.438 -3.036 1.00 0.00 N ATOM 1042 CA SER A 72 -4.881 9.972 -1.937 1.00 0.00 C ATOM 1043 C SER A 72 -6.062 9.161 -2.460 1.00 0.00 C ATOM 1044 O SER A 72 -6.802 9.613 -3.333 1.00 0.00 O ATOM 1045 CB SER A 72 -5.387 11.160 -1.115 1.00 0.00 C ATOM 1046 OG SER A 72 -6.268 11.967 -1.877 1.00 0.00 O ATOM 0 H SER A 72 -4.554 10.888 -3.795 1.00 0.00 H new ATOM 0 HA SER A 72 -4.276 9.328 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.899 10.798 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.541 11.759 -0.776 1.00 0.00 H new ATOM 0 HG SER A 72 -6.655 11.434 -2.602 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.231 7.959 -1.920 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.319 7.081 -2.333 1.00 0.00 C ATOM 1054 C TYR A 73 -8.068 6.535 -1.121 1.00 0.00 C ATOM 1055 O TYR A 73 -7.470 6.249 -0.083 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.779 5.926 -3.177 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.860 5.032 -3.742 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.358 3.963 -3.009 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.381 5.256 -5.011 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.345 3.143 -3.521 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.369 4.443 -5.531 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.847 3.387 -4.783 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.830 2.574 -5.298 1.00 0.00 O ATOM 0 H TYR A 73 -5.628 7.570 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.015 7.666 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.189 6.332 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.105 5.325 -2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.967 3.769 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.007 6.080 -5.601 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.721 2.316 -2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.765 4.633 -6.518 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.073 2.883 -6.196 1.00 0.00 H new ATOM 1073 N THR A 74 -9.382 6.390 -1.262 1.00 0.00 N ATOM 1074 CA THR A 74 -10.215 5.879 -0.180 1.00 0.00 C ATOM 1075 C THR A 74 -10.796 4.514 -0.532 1.00 0.00 C ATOM 1076 O THR A 74 -11.409 4.344 -1.586 1.00 0.00 O ATOM 1077 CB THR A 74 -11.368 6.846 0.148 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.843 8.129 0.508 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.222 6.305 1.284 1.00 0.00 C ATOM 0 H THR A 74 -9.892 6.619 -2.115 1.00 0.00 H new ATOM 0 HA THR A 74 -9.572 5.783 0.695 1.00 0.00 H new ATOM 0 HB THR A 74 -11.993 6.945 -0.739 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.510 8.099 1.429 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.030 7.005 1.497 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.643 5.342 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.606 6.179 2.174 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.599 3.546 0.356 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.106 2.196 0.139 1.00 0.00 C ATOM 1089 C ILE A 75 -12.292 1.901 1.051 1.00 0.00 C ATOM 1090 O ILE A 75 -12.139 1.790 2.267 1.00 0.00 O ATOM 1091 CB ILE A 75 -10.013 1.139 0.378 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.830 1.374 -0.565 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.578 -0.261 0.188 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.539 0.750 -0.082 1.00 0.00 C ATOM 0 H ILE A 75 -10.092 3.671 1.232 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.429 2.144 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.659 1.230 1.405 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.074 0.971 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.682 2.447 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.793 -0.997 0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.390 -0.425 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.956 -0.366 -0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.744 0.957 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.272 1.171 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.670 -0.328 0.014 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.473 1.772 0.455 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.685 1.488 1.214 1.00 0.00 C ATOM 1108 C ASN A 76 -15.042 0.007 1.135 1.00 0.00 C ATOM 1109 O ASN A 76 -14.663 -0.684 0.190 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.849 2.333 0.692 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.888 2.388 -0.823 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -16.704 1.720 -1.458 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -15.005 3.188 -1.409 1.00 0.00 N ATOM 0 H ASN A 76 -13.616 1.860 -0.551 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.498 1.744 2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.788 1.922 1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.766 3.345 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.985 3.267 -2.426 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.347 3.723 -0.842 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.774 -0.475 2.135 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.170 -1.871 2.159 1.00 0.00 C ATOM 1122 C GLY A 77 -15.232 -2.725 2.989 1.00 0.00 C ATOM 1123 O GLY A 77 -14.794 -3.789 2.546 1.00 0.00 O ATOM 0 H GLY A 77 -16.100 0.076 2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.181 -1.952 2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.199 -2.255 1.139 1.00 0.00 H new ATOM 1127 N LEU A 78 -14.921 -2.261 4.193 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.027 -2.989 5.087 1.00 0.00 C ATOM 1129 C LEU A 78 -14.718 -3.307 6.409 1.00 0.00 C ATOM 1130 O LEU A 78 -15.682 -2.645 6.793 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.757 -2.175 5.345 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.045 -1.632 4.106 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -10.942 -0.664 4.506 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.479 -2.773 3.273 1.00 0.00 C ATOM 0 H LEU A 78 -15.275 -1.383 4.574 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.757 -3.928 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.013 -1.334 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.055 -2.799 5.898 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.772 -1.092 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.446 -0.288 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.373 0.170 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.215 -1.180 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.976 -2.368 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.766 -3.341 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.290 -3.429 2.956 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.218 -4.324 7.102 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.784 -4.729 8.384 1.00 0.00 C ATOM 1148 C LYS A 79 -14.458 -3.708 9.469 1.00 0.00 C ATOM 1149 O LYS A 79 -13.488 -2.958 9.360 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.252 -6.106 8.787 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.081 -7.260 8.251 1.00 0.00 C ATOM 1152 CD LYS A 79 -16.362 -7.443 9.048 1.00 0.00 C ATOM 1153 CE LYS A 79 -16.091 -8.090 10.398 1.00 0.00 C ATOM 1154 NZ LYS A 79 -16.110 -9.577 10.314 1.00 0.00 N ATOM 0 H LYS A 79 -13.421 -4.884 6.798 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.867 -4.783 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.227 -6.209 8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.218 -6.169 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.325 -7.079 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.495 -8.178 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.841 -6.475 9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.059 -8.060 8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.122 -7.760 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -16.840 -7.757 11.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.921 -9.980 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.043 -9.894 9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.379 -9.896 9.647 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.274 -3.686 10.517 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.072 -2.759 11.625 1.00 0.00 C ATOM 1170 C LYS A 80 -14.056 -3.313 12.619 1.00 0.00 C ATOM 1171 O LYS A 80 -13.984 -4.522 12.839 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.400 -2.485 12.336 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.467 -1.901 11.427 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.303 -2.992 10.777 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.639 -2.453 10.288 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.601 -2.255 11.407 1.00 0.00 N ATOM 0 H LYS A 80 -16.082 -4.300 10.623 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.685 -1.825 11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.771 -3.415 12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.224 -1.798 13.164 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.114 -1.239 12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.996 -1.293 10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.754 -3.422 9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.474 -3.796 11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.482 -1.505 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -20.065 -3.144 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.533 -2.001 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -20.681 -3.135 11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.262 -1.491 12.025 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.274 -2.421 13.217 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.262 -2.821 14.187 1.00 0.00 C ATOM 1192 C TYR A 81 -11.415 -3.969 13.648 1.00 0.00 C ATOM 1193 O TYR A 81 -11.133 -4.936 14.357 1.00 0.00 O ATOM 1194 CB TYR A 81 -12.922 -3.234 15.504 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.024 -3.068 16.709 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.407 -1.853 16.979 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.794 -4.127 17.579 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.585 -1.698 18.078 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -10.975 -3.980 18.682 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.372 -2.764 18.927 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.556 -2.613 20.024 1.00 0.00 O ATOM 0 H TYR A 81 -13.322 -1.416 13.047 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.610 -1.966 14.368 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.825 -2.641 15.650 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.233 -4.276 15.434 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.573 -1.015 16.318 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.263 -5.081 17.390 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.111 -0.747 18.272 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.808 -4.813 19.349 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.513 -3.458 20.518 1.00 0.00 H new ATOM 1211 N THR A 82 -11.009 -3.856 12.387 1.00 0.00 N ATOM 1212 CA THR A 82 -10.194 -4.883 11.751 1.00 0.00 C ATOM 1213 C THR A 82 -8.951 -4.279 11.108 1.00 0.00 C ATOM 1214 O THR A 82 -9.042 -3.325 10.336 1.00 0.00 O ATOM 1215 CB THR A 82 -10.992 -5.649 10.678 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.157 -6.242 11.264 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.136 -6.729 10.035 1.00 0.00 C ATOM 0 H THR A 82 -11.232 -3.063 11.786 1.00 0.00 H new ATOM 0 HA THR A 82 -9.893 -5.578 12.535 1.00 0.00 H new ATOM 0 HB THR A 82 -11.294 -4.940 9.907 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.702 -5.545 11.685 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.721 -7.256 9.281 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.266 -6.271 9.565 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.807 -7.435 10.798 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.791 -4.841 11.431 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.529 -4.356 10.884 1.00 0.00 C ATOM 1227 C GLU A 83 -6.419 -4.684 9.398 1.00 0.00 C ATOM 1228 O GLU A 83 -6.932 -5.703 8.936 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.350 -4.970 11.641 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.079 -4.140 11.566 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.028 -4.590 12.562 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -2.563 -5.743 12.454 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.671 -3.787 13.450 1.00 0.00 O ATOM 0 H GLU A 83 -7.699 -5.632 12.068 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.503 -3.273 11.003 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.628 -5.099 12.687 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.149 -5.963 11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.669 -4.201 10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.322 -3.093 11.748 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.747 -3.811 8.654 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.572 -4.005 7.220 1.00 0.00 C ATOM 1242 C TYR A 84 -4.221 -3.467 6.759 1.00 0.00 C ATOM 1243 O TYR A 84 -3.846 -2.340 7.082 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.699 -3.315 6.449 1.00 0.00 C ATOM 1245 CG TYR A 84 -7.995 -4.093 6.446 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.173 -5.181 5.600 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.042 -3.741 7.289 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.356 -5.895 5.593 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.228 -4.450 7.290 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.380 -5.525 6.439 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.559 -6.235 6.436 1.00 0.00 O ATOM 0 H TYR A 84 -5.315 -2.963 9.021 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.605 -5.075 7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.876 -2.331 6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.379 -3.155 5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.373 -5.474 4.936 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.927 -2.899 7.955 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.478 -6.738 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.031 -4.164 7.953 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.566 -6.860 7.191 1.00 0.00 H new ATOM 1261 N SER A 85 -3.495 -4.281 6.000 1.00 0.00 N ATOM 1262 CA SER A 85 -2.184 -3.889 5.496 1.00 0.00 C ATOM 1263 C SER A 85 -2.318 -3.054 4.226 1.00 0.00 C ATOM 1264 O SER A 85 -3.312 -3.153 3.506 1.00 0.00 O ATOM 1265 CB SER A 85 -1.330 -5.128 5.217 1.00 0.00 C ATOM 1266 OG SER A 85 0.049 -4.842 5.373 1.00 0.00 O ATOM 0 H SER A 85 -3.792 -5.216 5.720 1.00 0.00 H new ATOM 0 HA SER A 85 -1.695 -3.283 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.617 -5.932 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.519 -5.483 4.204 1.00 0.00 H new ATOM 0 HG SER A 85 0.579 -5.596 5.039 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.309 -2.232 3.957 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.313 -1.378 2.775 1.00 0.00 C ATOM 1274 C PHE A 86 0.108 -1.133 2.276 1.00 0.00 C ATOM 1275 O PHE A 86 1.020 -0.885 3.065 1.00 0.00 O ATOM 1276 CB PHE A 86 -1.993 -0.043 3.086 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.454 -0.176 3.411 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.373 -0.477 2.419 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.907 -0.001 4.709 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.717 -0.600 2.716 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.250 -0.123 5.011 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.156 -0.424 4.013 1.00 0.00 C ATOM 0 H PHE A 86 -0.478 -2.139 4.542 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.872 -1.889 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.483 0.428 3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.878 0.622 2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.035 -0.617 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.203 0.233 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.424 -0.834 1.934 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.591 0.017 6.026 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.206 -0.522 4.247 1.00 0.00 H new ATOM 1292 N ARG A 87 0.288 -1.204 0.961 1.00 0.00 N ATOM 1293 CA ARG A 87 1.598 -0.992 0.357 1.00 0.00 C ATOM 1294 C ARG A 87 1.460 -0.431 -1.055 1.00 0.00 C ATOM 1295 O ARG A 87 0.656 -0.915 -1.852 1.00 0.00 O ATOM 1296 CB ARG A 87 2.385 -2.304 0.321 1.00 0.00 C ATOM 1297 CG ARG A 87 1.748 -3.372 -0.552 1.00 0.00 C ATOM 1298 CD ARG A 87 2.709 -4.521 -0.816 1.00 0.00 C ATOM 1299 NE ARG A 87 2.818 -5.418 0.332 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.862 -6.211 0.548 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.881 -6.218 -0.300 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.888 -6.998 1.616 1.00 0.00 N ATOM 0 H ARG A 87 -0.456 -1.407 0.294 1.00 0.00 H new ATOM 0 HA ARG A 87 2.139 -0.268 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.393 -2.103 -0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.483 -2.687 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.849 -3.752 -0.067 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.437 -2.931 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.370 -5.084 -1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.694 -4.122 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 87 2.051 -5.437 1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.865 -5.613 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.681 -6.828 -0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.106 -6.994 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.690 -7.607 1.782 1.00 0.00 H new ATOM 1316 N VAL A 88 2.250 0.594 -1.359 1.00 0.00 N ATOM 1317 CA VAL A 88 2.217 1.222 -2.674 1.00 0.00 C ATOM 1318 C VAL A 88 3.431 0.820 -3.505 1.00 0.00 C ATOM 1319 O VAL A 88 4.559 0.811 -3.012 1.00 0.00 O ATOM 1320 CB VAL A 88 2.170 2.757 -2.562 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.206 3.395 -3.943 1.00 0.00 C ATOM 1322 CG2 VAL A 88 0.933 3.198 -1.795 1.00 0.00 C ATOM 0 H VAL A 88 2.921 1.007 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 88 1.310 0.874 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 88 3.049 3.090 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.172 4.480 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.125 3.106 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.347 3.057 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.916 4.286 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.040 2.854 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.955 2.771 -0.792 1.00 0.00 H new ATOM 1332 N VAL A 89 3.192 0.489 -4.770 1.00 0.00 N ATOM 1333 CA VAL A 89 4.265 0.088 -5.671 1.00 0.00 C ATOM 1334 C VAL A 89 4.396 1.061 -6.838 1.00 0.00 C ATOM 1335 O VAL A 89 3.412 1.384 -7.503 1.00 0.00 O ATOM 1336 CB VAL A 89 4.033 -1.331 -6.224 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.148 -1.719 -7.183 1.00 0.00 C ATOM 1338 CG2 VAL A 89 3.924 -2.334 -5.086 1.00 0.00 C ATOM 0 H VAL A 89 2.264 0.491 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 89 5.187 0.097 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 89 3.093 -1.339 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.967 -2.724 -7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.174 -1.015 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.103 -1.696 -6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.760 -3.331 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.846 -2.327 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.087 -2.064 -4.442 1.00 0.00 H new ATOM 1348 N ALA A 90 5.617 1.524 -7.081 1.00 0.00 N ATOM 1349 CA ALA A 90 5.878 2.459 -8.169 1.00 0.00 C ATOM 1350 C ALA A 90 6.155 1.719 -9.473 1.00 0.00 C ATOM 1351 O ALA A 90 7.158 1.015 -9.598 1.00 0.00 O ATOM 1352 CB ALA A 90 7.046 3.367 -7.816 1.00 0.00 C ATOM 0 H ALA A 90 6.442 1.267 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 90 4.987 3.071 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.230 4.060 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.810 3.930 -6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.937 2.763 -7.645 1.00 0.00 H new ATOM 1358 N TYR A 91 5.261 1.882 -10.442 1.00 0.00 N ATOM 1359 CA TYR A 91 5.409 1.227 -11.736 1.00 0.00 C ATOM 1360 C TYR A 91 5.991 2.186 -12.769 1.00 0.00 C ATOM 1361 O TYR A 91 5.318 3.109 -13.225 1.00 0.00 O ATOM 1362 CB TYR A 91 4.058 0.697 -12.220 1.00 0.00 C ATOM 1363 CG TYR A 91 3.657 -0.614 -11.583 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.073 -0.647 -10.323 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.863 -1.820 -12.241 1.00 0.00 C ATOM 1366 CE1 TYR A 91 2.707 -1.843 -9.736 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.498 -3.021 -11.663 1.00 0.00 C ATOM 1368 CZ TYR A 91 2.921 -3.027 -10.410 1.00 0.00 C ATOM 1369 OH TYR A 91 2.556 -4.220 -9.830 1.00 0.00 O ATOM 0 H TYR A 91 4.426 2.462 -10.356 1.00 0.00 H new ATOM 0 HA TYR A 91 6.098 0.391 -11.615 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.290 1.442 -12.012 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.094 0.569 -13.302 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.902 0.278 -9.793 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.316 -1.819 -13.221 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.256 -1.851 -8.755 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.664 -3.950 -12.189 1.00 0.00 H new ATOM 0 HH TYR A 91 2.222 -4.054 -8.924 1.00 0.00 H new ATOM 1379 N ASN A 92 7.249 1.959 -13.134 1.00 0.00 N ATOM 1380 CA ASN A 92 7.924 2.803 -14.114 1.00 0.00 C ATOM 1381 C ASN A 92 8.100 2.065 -15.438 1.00 0.00 C ATOM 1382 O ASN A 92 8.063 0.835 -15.486 1.00 0.00 O ATOM 1383 CB ASN A 92 9.288 3.248 -13.581 1.00 0.00 C ATOM 1384 CG ASN A 92 9.175 4.378 -12.577 1.00 0.00 C ATOM 1385 OD1 ASN A 92 8.155 4.526 -11.903 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.225 5.184 -12.472 1.00 0.00 N ATOM 0 H ASN A 92 7.821 1.199 -12.766 1.00 0.00 H new ATOM 0 HA ASN A 92 7.304 3.682 -14.288 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.787 2.399 -13.114 1.00 0.00 H new ATOM 0 HB3 ASN A 92 9.914 3.567 -14.414 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.207 5.962 -11.813 1.00 0.00 H new ATOM 0 HD22 ASN A 92 11.050 5.025 -13.050 1.00 0.00 H new ATOM 1393 N LYS A 93 8.291 2.825 -16.511 1.00 0.00 N ATOM 1394 CA LYS A 93 8.474 2.245 -17.837 1.00 0.00 C ATOM 1395 C LYS A 93 9.339 0.991 -17.767 1.00 0.00 C ATOM 1396 O LYS A 93 9.154 0.053 -18.543 1.00 0.00 O ATOM 1397 CB LYS A 93 9.114 3.268 -18.779 1.00 0.00 C ATOM 1398 CG LYS A 93 10.530 3.652 -18.388 1.00 0.00 C ATOM 1399 CD LYS A 93 11.221 4.434 -19.493 1.00 0.00 C ATOM 1400 CE LYS A 93 10.864 5.911 -19.437 1.00 0.00 C ATOM 1401 NZ LYS A 93 11.456 6.580 -18.246 1.00 0.00 N ATOM 0 H LYS A 93 8.323 3.844 -16.489 1.00 0.00 H new ATOM 0 HA LYS A 93 7.494 1.967 -18.224 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.123 2.862 -19.791 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.496 4.166 -18.801 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.507 4.250 -17.477 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.103 2.752 -18.164 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.301 4.316 -19.403 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.935 4.026 -20.462 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.216 6.404 -20.343 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.780 6.022 -19.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.504 7.606 -18.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.864 6.392 -17.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.414 6.211 -18.081 1.00 0.00 H new ATOM 1415 N HIS A 94 10.285 0.981 -16.833 1.00 0.00 N ATOM 1416 CA HIS A 94 11.178 -0.160 -16.661 1.00 0.00 C ATOM 1417 C HIS A 94 10.457 -1.314 -15.972 1.00 0.00 C ATOM 1418 O HIS A 94 10.289 -2.388 -16.549 1.00 0.00 O ATOM 1419 CB HIS A 94 12.408 0.247 -15.850 1.00 0.00 C ATOM 1420 CG HIS A 94 12.917 1.616 -16.179 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.753 1.873 -17.245 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.702 2.809 -15.576 1.00 0.00 C ATOM 1423 CE1 HIS A 94 14.032 3.164 -17.282 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.405 3.754 -16.280 1.00 0.00 N ATOM 0 H HIS A 94 10.453 1.750 -16.184 1.00 0.00 H new ATOM 0 HA HIS A 94 11.498 -0.493 -17.648 1.00 0.00 H new ATOM 0 HB2 HIS A 94 12.163 0.205 -14.789 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.203 -0.478 -16.023 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.091 2.984 -14.703 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.665 3.653 -18.008 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.438 4.750 -16.065 1.00 0.00 H new ATOM 1433 N GLY A 95 10.035 -1.086 -14.732 1.00 0.00 N ATOM 1434 CA GLY A 95 9.339 -2.117 -13.983 1.00 0.00 C ATOM 1435 C GLY A 95 8.889 -1.638 -12.617 1.00 0.00 C ATOM 1436 O GLY A 95 9.226 -0.537 -12.180 1.00 0.00 O ATOM 0 H GLY A 95 10.163 -0.206 -14.232 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.471 -2.451 -14.551 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.994 -2.980 -13.864 1.00 0.00 H new ATOM 1440 N PRO A 96 8.109 -2.476 -11.919 1.00 0.00 N ATOM 1441 CA PRO A 96 7.595 -2.153 -10.585 1.00 0.00 C ATOM 1442 C PRO A 96 8.694 -2.140 -9.528 1.00 0.00 C ATOM 1443 O PRO A 96 8.942 -3.146 -8.865 1.00 0.00 O ATOM 1444 CB PRO A 96 6.598 -3.281 -10.307 1.00 0.00 C ATOM 1445 CG PRO A 96 7.070 -4.419 -11.144 1.00 0.00 C ATOM 1446 CD PRO A 96 7.669 -3.804 -12.379 1.00 0.00 C ATOM 0 HA PRO A 96 7.154 -1.157 -10.548 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.585 -3.546 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.583 -2.987 -10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.807 -5.017 -10.609 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.245 -5.084 -11.400 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.503 -4.395 -12.758 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.939 -3.729 -13.185 1.00 0.00 H new ATOM 1454 N GLY A 97 9.349 -0.993 -9.376 1.00 0.00 N ATOM 1455 CA GLY A 97 10.413 -0.871 -8.397 1.00 0.00 C ATOM 1456 C GLY A 97 9.996 -1.357 -7.023 1.00 0.00 C ATOM 1457 O GLY A 97 8.864 -1.801 -6.831 1.00 0.00 O ATOM 0 H GLY A 97 9.162 -0.146 -9.913 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.279 -1.441 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.724 0.172 -8.331 1.00 0.00 H new ATOM 1461 N VAL A 98 10.913 -1.275 -6.064 1.00 0.00 N ATOM 1462 CA VAL A 98 10.635 -1.711 -4.701 1.00 0.00 C ATOM 1463 C VAL A 98 9.243 -1.275 -4.258 1.00 0.00 C ATOM 1464 O VAL A 98 8.628 -0.404 -4.874 1.00 0.00 O ATOM 1465 CB VAL A 98 11.675 -1.153 -3.711 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.049 -1.744 -3.990 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.714 0.366 -3.779 1.00 0.00 C ATOM 0 H VAL A 98 11.855 -0.911 -6.206 1.00 0.00 H new ATOM 0 HA VAL A 98 10.689 -2.800 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 98 11.381 -1.441 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.770 -1.338 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.007 -2.828 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.355 -1.490 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.454 0.743 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.983 0.678 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.733 0.767 -3.525 1.00 0.00 H new ATOM 1477 N SER A 99 8.751 -1.887 -3.185 1.00 0.00 N ATOM 1478 CA SER A 99 7.429 -1.564 -2.661 1.00 0.00 C ATOM 1479 C SER A 99 7.512 -1.152 -1.194 1.00 0.00 C ATOM 1480 O SER A 99 8.219 -1.774 -0.401 1.00 0.00 O ATOM 1481 CB SER A 99 6.491 -2.763 -2.813 1.00 0.00 C ATOM 1482 OG SER A 99 5.235 -2.508 -2.208 1.00 0.00 O ATOM 0 H SER A 99 9.248 -2.608 -2.662 1.00 0.00 H new ATOM 0 HA SER A 99 7.032 -0.726 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.350 -2.987 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.945 -3.644 -2.359 1.00 0.00 H new ATOM 0 HG SER A 99 4.967 -1.582 -2.387 1.00 0.00 H new ATOM 1488 N THR A 100 6.785 -0.097 -0.841 1.00 0.00 N ATOM 1489 CA THR A 100 6.776 0.401 0.529 1.00 0.00 C ATOM 1490 C THR A 100 6.474 -0.718 1.519 1.00 0.00 C ATOM 1491 O THR A 100 5.819 -1.708 1.193 1.00 0.00 O ATOM 1492 CB THR A 100 5.739 1.526 0.711 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.438 1.058 0.338 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.106 2.741 -0.127 1.00 0.00 C ATOM 0 H THR A 100 6.195 0.429 -1.485 1.00 0.00 H new ATOM 0 HA THR A 100 7.771 0.799 0.727 1.00 0.00 H new ATOM 0 HB THR A 100 5.732 1.818 1.761 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.798 1.269 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.359 3.522 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.084 3.112 0.179 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.138 2.461 -1.180 1.00 0.00 H new ATOM 1502 N PRO A 101 6.960 -0.560 2.759 1.00 0.00 N ATOM 1503 CA PRO A 101 6.754 -1.547 3.822 1.00 0.00 C ATOM 1504 C PRO A 101 5.304 -1.598 4.292 1.00 0.00 C ATOM 1505 O PRO A 101 4.698 -0.566 4.580 1.00 0.00 O ATOM 1506 CB PRO A 101 7.664 -1.051 4.949 1.00 0.00 C ATOM 1507 CG PRO A 101 7.798 0.414 4.710 1.00 0.00 C ATOM 1508 CD PRO A 101 7.749 0.596 3.218 1.00 0.00 C ATOM 0 HA PRO A 101 6.981 -2.559 3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.229 -1.254 5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.634 -1.547 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.993 0.964 5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.735 0.792 5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.277 1.539 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.747 0.600 2.781 1.00 0.00 H new ATOM 1516 N ASP A 102 4.754 -2.805 4.369 1.00 0.00 N ATOM 1517 CA ASP A 102 3.375 -2.990 4.806 1.00 0.00 C ATOM 1518 C ASP A 102 2.994 -1.952 5.856 1.00 0.00 C ATOM 1519 O ASP A 102 3.739 -1.711 6.806 1.00 0.00 O ATOM 1520 CB ASP A 102 3.181 -4.399 5.370 1.00 0.00 C ATOM 1521 CG ASP A 102 4.238 -4.763 6.395 1.00 0.00 C ATOM 1522 OD1 ASP A 102 5.368 -5.101 5.986 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.933 -4.709 7.605 1.00 0.00 O ATOM 0 H ASP A 102 5.242 -3.670 4.135 1.00 0.00 H new ATOM 0 HA ASP A 102 2.725 -2.861 3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.195 -4.471 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.207 -5.121 4.554 1.00 0.00 H new ATOM 1528 N VAL A 103 1.828 -1.338 5.678 1.00 0.00 N ATOM 1529 CA VAL A 103 1.347 -0.325 6.610 1.00 0.00 C ATOM 1530 C VAL A 103 0.013 -0.733 7.224 1.00 0.00 C ATOM 1531 O VAL A 103 -1.038 -0.207 6.857 1.00 0.00 O ATOM 1532 CB VAL A 103 1.185 1.042 5.919 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.389 1.994 6.798 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.546 1.630 5.578 1.00 0.00 C ATOM 0 H VAL A 103 1.199 -1.525 4.897 1.00 0.00 H new ATOM 0 HA VAL A 103 2.095 -0.239 7.398 1.00 0.00 H new ATOM 0 HB VAL A 103 0.634 0.897 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.285 2.954 6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.599 1.574 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.910 2.136 7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.413 2.596 5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.125 1.762 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.076 0.955 4.907 1.00 0.00 H new ATOM 1544 N ALA A 104 0.062 -1.673 8.162 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.143 -2.150 8.830 1.00 0.00 C ATOM 1546 C ALA A 104 -1.801 -1.035 9.636 1.00 0.00 C ATOM 1547 O ALA A 104 -1.120 -0.205 10.238 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.814 -3.332 9.730 1.00 0.00 C ATOM 0 H ALA A 104 0.923 -2.119 8.477 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.849 -2.475 8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.723 -3.678 10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.396 -4.140 9.130 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.088 -3.025 10.483 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.131 -1.022 9.643 1.00 0.00 N ATOM 1555 CA VAL A 105 -3.881 -0.010 10.376 1.00 0.00 C ATOM 1556 C VAL A 105 -5.221 -0.558 10.854 1.00 0.00 C ATOM 1557 O VAL A 105 -5.856 -1.359 10.168 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.130 1.240 9.510 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.045 0.906 8.341 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.716 2.363 10.353 1.00 0.00 C ATOM 0 H VAL A 105 -3.710 -1.701 9.149 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.277 0.269 11.239 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.175 1.579 9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.210 1.801 7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.581 0.136 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.000 0.542 8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.886 3.238 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.662 2.038 10.786 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.021 2.619 11.152 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.645 -0.121 12.036 1.00 0.00 N ATOM 1571 CA ARG A 106 -6.909 -0.569 12.607 1.00 0.00 C ATOM 1572 C ARG A 106 -8.026 0.425 12.301 1.00 0.00 C ATOM 1573 O ARG A 106 -7.872 1.630 12.500 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.774 -0.750 14.120 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.766 -1.742 14.706 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.644 -1.823 16.220 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.484 -2.608 16.634 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.391 -3.923 16.474 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.385 -4.598 15.913 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.303 -4.567 16.877 1.00 0.00 N ATOM 0 H ARG A 106 -5.132 0.542 12.616 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.164 -1.527 12.154 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.762 -1.083 14.349 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.909 0.216 14.606 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.780 -1.446 14.437 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.596 -2.728 14.273 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.567 -0.817 16.632 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.549 -2.268 16.633 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.702 -2.119 17.070 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.224 -4.107 15.603 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.311 -5.608 15.791 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.537 -4.052 17.310 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.233 -5.577 16.753 1.00 0.00 H new ATOM 1594 N THR A 107 -9.152 -0.089 11.815 1.00 0.00 N ATOM 1595 CA THR A 107 -10.294 0.752 11.480 1.00 0.00 C ATOM 1596 C THR A 107 -11.095 1.113 12.725 1.00 0.00 C ATOM 1597 O THR A 107 -10.929 0.502 13.782 1.00 0.00 O ATOM 1598 CB THR A 107 -11.225 0.058 10.467 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.463 -1.296 10.869 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.619 0.079 9.072 1.00 0.00 C ATOM 0 H THR A 107 -9.297 -1.084 11.645 1.00 0.00 H new ATOM 0 HA THR A 107 -9.895 1.662 11.032 1.00 0.00 H new ATOM 0 HB THR A 107 -12.170 0.601 10.443 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.154 -1.691 10.297 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.294 -0.417 8.374 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.466 1.111 8.757 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.662 -0.443 9.083 1.00 0.00 H new ATOM 1608 N LEU A 108 -11.966 2.107 12.595 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.795 2.550 13.710 1.00 0.00 C ATOM 1610 C LEU A 108 -13.836 1.493 14.068 1.00 0.00 C ATOM 1611 O LEU A 108 -14.427 0.867 13.188 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.488 3.869 13.365 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.605 4.946 12.734 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.450 6.117 12.258 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.549 5.416 13.723 1.00 0.00 C ATOM 0 H LEU A 108 -12.117 2.622 11.728 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.147 2.703 14.573 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.311 3.656 12.683 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.927 4.275 14.276 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.099 4.514 11.870 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.805 6.874 11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.168 5.769 11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.983 6.549 13.105 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.930 6.182 13.257 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.036 5.830 14.606 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.924 4.573 14.016 1.00 0.00 H new ATOM 1627 N SER A 109 -14.057 1.303 15.364 1.00 0.00 N ATOM 1628 CA SER A 109 -15.026 0.321 15.838 1.00 0.00 C ATOM 1629 C SER A 109 -16.391 0.967 16.058 1.00 0.00 C ATOM 1630 O SER A 109 -16.533 1.880 16.872 1.00 0.00 O ATOM 1631 CB SER A 109 -14.538 -0.322 17.138 1.00 0.00 C ATOM 1632 OG SER A 109 -15.503 -1.222 17.655 1.00 0.00 O ATOM 0 H SER A 109 -13.579 1.816 16.105 1.00 0.00 H new ATOM 0 HA SER A 109 -15.127 -0.451 15.075 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.603 -0.851 16.957 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.328 0.454 17.875 1.00 0.00 H new ATOM 0 HG SER A 109 -15.167 -1.621 18.485 1.00 0.00 H new