USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 717 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 GLN : amide:sc= -0.297 K(o=-0.31,f=-4.5!) USER MOD Set 1.2: A 97 GLN : amide:sc=-0.00926 X(o=-0.31,f=-0.3) USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 HIS :FLIP no HD1:sc= -0.12 F(o=-0.77,f=-0.12) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.355 K(o=-0.36,f=-2.4!) USER MOD Single : A 26 SER OG : rot 57:sc= 0.0123 USER MOD Single : A 35 SER OG : rot 170:sc= -0.47 USER MOD Single : A 38 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.7!) USER MOD Single : A 50 GLN : amide:sc= -0.018 X(o=-0.018,f=-4.4e-05) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 26:sc= 0.239 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00611 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.025 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 138:sc= -6.31! (180deg=-9.65!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 132:sc= -2.16! (180deg=-5.02!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 151:sc= 0.115 USER MOD Single : A 85 TYR OH : rot -61:sc= 0.868 USER MOD Single : A 86 TYR OH : rot 28:sc= -4.29! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.1) USER MOD Single : A 95 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.0683 K(o=-0.068,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.853 7.827 -3.310 1.00 0.00 N ATOM 201 CA LEU A 17 1.103 6.396 -3.338 1.00 0.00 C ATOM 202 C LEU A 17 -0.015 5.702 -4.118 1.00 0.00 C ATOM 203 O LEU A 17 -1.159 6.153 -4.104 1.00 0.00 O ATOM 204 CB LEU A 17 1.288 5.857 -1.918 1.00 0.00 C ATOM 205 CG LEU A 17 1.128 4.345 -1.748 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.464 3.626 -1.948 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.493 4.008 -0.398 1.00 0.00 C ATOM 0 HA LEU A 17 2.036 6.183 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.282 6.138 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.570 6.354 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 17 0.449 3.985 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.322 2.553 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.839 3.827 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.184 3.986 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.391 2.927 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.126 4.384 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.491 4.472 -0.333 1.00 0.00 H new ATOM 219 N VAL A 18 0.356 4.616 -4.781 1.00 0.00 N ATOM 220 CA VAL A 18 -0.602 3.856 -5.566 1.00 0.00 C ATOM 221 C VAL A 18 -0.470 2.370 -5.224 1.00 0.00 C ATOM 222 O VAL A 18 0.563 1.757 -5.489 1.00 0.00 O ATOM 223 CB VAL A 18 -0.405 4.145 -7.056 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.408 3.361 -7.904 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.501 5.645 -7.340 1.00 0.00 C ATOM 0 H VAL A 18 1.306 4.245 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.620 4.158 -5.321 1.00 0.00 H new ATOM 0 HB VAL A 18 0.596 3.815 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.246 3.585 -8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.271 2.293 -7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.422 3.646 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.357 5.823 -8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.483 6.010 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.269 6.172 -6.777 1.00 0.00 H new ATOM 235 N ILE A 19 -1.532 1.834 -4.639 1.00 0.00 N ATOM 236 CA ILE A 19 -1.548 0.432 -4.258 1.00 0.00 C ATOM 237 C ILE A 19 -2.256 -0.380 -5.344 1.00 0.00 C ATOM 238 O ILE A 19 -3.406 -0.103 -5.681 1.00 0.00 O ATOM 239 CB ILE A 19 -2.161 0.263 -2.866 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.344 1.013 -1.812 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.326 -1.217 -2.516 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.933 0.809 -0.415 1.00 0.00 C ATOM 0 H ILE A 19 -2.387 2.345 -4.420 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.531 0.046 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.157 0.705 -2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.312 0.663 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.324 2.076 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.764 -1.309 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.981 -1.693 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.351 -1.705 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.334 1.352 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.957 1.182 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.929 -0.253 -0.170 1.00 0.00 H new ATOM 254 N ARG A 20 -1.538 -1.365 -5.864 1.00 0.00 N ATOM 255 CA ARG A 20 -2.083 -2.219 -6.905 1.00 0.00 C ATOM 256 C ARG A 20 -2.548 -3.550 -6.312 1.00 0.00 C ATOM 257 O ARG A 20 -1.727 -4.385 -5.933 1.00 0.00 O ATOM 258 CB ARG A 20 -1.044 -2.489 -7.996 1.00 0.00 C ATOM 259 CG ARG A 20 -1.462 -3.673 -8.870 1.00 0.00 C ATOM 260 CD ARG A 20 -0.453 -3.906 -9.996 1.00 0.00 C ATOM 261 NE ARG A 20 -0.754 -5.179 -10.690 1.00 0.00 N ATOM 262 CZ ARG A 20 0.091 -5.796 -11.526 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.294 -5.262 -11.778 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.267 -6.948 -12.111 1.00 0.00 N ATOM 0 H ARG A 20 -0.584 -1.590 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.932 -1.699 -7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.922 -1.600 -8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.076 -2.694 -7.539 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.543 -4.571 -8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.449 -3.486 -9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.489 -3.079 -10.705 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.558 -3.934 -9.590 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.661 -5.613 -10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.566 -4.385 -11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.937 -5.732 -12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.183 -7.354 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.376 -7.418 -12.748 1.00 0.00 H new ATOM 278 N ILE A 21 -3.862 -3.708 -6.248 1.00 0.00 N ATOM 279 CA ILE A 21 -4.445 -4.923 -5.707 1.00 0.00 C ATOM 280 C ILE A 21 -4.575 -5.962 -6.823 1.00 0.00 C ATOM 281 O ILE A 21 -5.438 -5.841 -7.691 1.00 0.00 O ATOM 282 CB ILE A 21 -5.765 -4.614 -4.997 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.520 -4.173 -3.553 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.722 -5.805 -5.079 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.610 -2.651 -3.422 1.00 0.00 C ATOM 0 H ILE A 21 -4.540 -3.014 -6.562 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.793 -5.352 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.244 -3.780 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.253 -4.642 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.537 -4.512 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.653 -5.560 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.932 -6.032 -6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.264 -6.673 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.432 -2.364 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.860 -2.186 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.602 -2.318 -3.725 1.00 0.00 H new ATOM 297 N LYS A 22 -3.705 -6.959 -6.764 1.00 0.00 N ATOM 298 CA LYS A 22 -3.712 -8.018 -7.758 1.00 0.00 C ATOM 299 C LYS A 22 -5.007 -8.822 -7.632 1.00 0.00 C ATOM 300 O LYS A 22 -5.086 -9.758 -6.838 1.00 0.00 O ATOM 301 CB LYS A 22 -2.446 -8.870 -7.643 1.00 0.00 C ATOM 302 CG LYS A 22 -1.467 -8.554 -8.776 1.00 0.00 C ATOM 303 CD LYS A 22 -1.960 -9.131 -10.104 1.00 0.00 C ATOM 304 CE LYS A 22 -0.831 -9.854 -10.840 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.144 -11.293 -10.984 1.00 0.00 N ATOM 0 H LYS A 22 -2.990 -7.056 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.695 -7.596 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.966 -8.687 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.711 -9.927 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.347 -7.474 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.486 -8.965 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.782 -9.823 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.352 -8.329 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.686 -9.407 -11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.104 -9.732 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.367 -11.769 -11.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.260 -11.719 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.025 -11.404 -11.525 1.00 0.00 H new ATOM 319 N ILE A 23 -5.991 -8.427 -8.427 1.00 0.00 N ATOM 320 CA ILE A 23 -7.279 -9.099 -8.415 1.00 0.00 C ATOM 321 C ILE A 23 -7.085 -10.572 -8.783 1.00 0.00 C ATOM 322 O ILE A 23 -6.260 -10.898 -9.635 1.00 0.00 O ATOM 323 CB ILE A 23 -8.275 -8.366 -9.315 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.402 -6.896 -8.909 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.630 -9.076 -9.327 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.083 -6.761 -7.546 1.00 0.00 C ATOM 0 H ILE A 23 -5.922 -7.650 -9.084 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.712 -9.074 -7.415 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.892 -8.387 -10.335 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.413 -6.438 -8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.976 -6.355 -9.662 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.319 -8.534 -9.975 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.505 -10.092 -9.700 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.033 -9.108 -8.315 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.161 -5.707 -7.281 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.080 -7.198 -7.593 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.494 -7.282 -6.792 1.00 0.00 H new ATOM 338 N PRO A 24 -7.880 -11.443 -8.107 1.00 0.00 N ATOM 339 CA PRO A 24 -7.804 -12.873 -8.355 1.00 0.00 C ATOM 340 C PRO A 24 -8.475 -13.236 -9.680 1.00 0.00 C ATOM 341 O PRO A 24 -9.702 -13.250 -9.776 1.00 0.00 O ATOM 342 CB PRO A 24 -8.475 -13.517 -7.153 1.00 0.00 C ATOM 343 CG PRO A 24 -9.311 -12.423 -6.507 1.00 0.00 C ATOM 344 CD PRO A 24 -8.869 -11.092 -7.092 1.00 0.00 C ATOM 0 HA PRO A 24 -6.779 -13.228 -8.459 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.099 -14.357 -7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.735 -13.907 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.371 -12.590 -6.697 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.176 -12.428 -5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.710 -10.553 -7.528 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.439 -10.446 -6.326 1.00 0.00 H new ATOM 352 N ASN A 25 -7.642 -13.521 -10.670 1.00 0.00 N ATOM 353 CA ASN A 25 -8.140 -13.883 -11.987 1.00 0.00 C ATOM 354 C ASN A 25 -9.090 -12.792 -12.486 1.00 0.00 C ATOM 355 O ASN A 25 -10.302 -12.994 -12.532 1.00 0.00 O ATOM 356 CB ASN A 25 -8.916 -15.200 -11.939 1.00 0.00 C ATOM 357 CG ASN A 25 -8.267 -16.253 -12.840 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.453 -15.955 -13.699 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.671 -17.496 -12.597 1.00 0.00 N ATOM 0 H ASN A 25 -6.625 -13.509 -10.587 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.284 -13.993 -12.653 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.953 -15.567 -10.913 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.946 -15.031 -12.255 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.296 -18.270 -13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.356 -17.675 -11.863 1.00 0.00 H new ATOM 366 N SER A 26 -8.503 -11.661 -12.847 1.00 0.00 N ATOM 367 CA SER A 26 -9.281 -10.538 -13.342 1.00 0.00 C ATOM 368 C SER A 26 -8.349 -9.444 -13.863 1.00 0.00 C ATOM 369 O SER A 26 -8.407 -9.081 -15.037 1.00 0.00 O ATOM 370 CB SER A 26 -10.197 -9.980 -12.250 1.00 0.00 C ATOM 371 OG SER A 26 -11.574 -10.189 -12.550 1.00 0.00 O ATOM 0 H SER A 26 -7.497 -11.498 -12.807 1.00 0.00 H new ATOM 0 HA SER A 26 -9.908 -10.891 -14.161 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.957 -10.454 -11.298 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.010 -8.913 -12.130 1.00 0.00 H new ATOM 0 HG SER A 26 -11.738 -11.146 -12.685 1.00 0.00 H new ATOM 377 N GLY A 27 -7.510 -8.947 -12.965 1.00 0.00 N ATOM 378 CA GLY A 27 -6.567 -7.901 -13.320 1.00 0.00 C ATOM 379 C GLY A 27 -5.884 -7.333 -12.074 1.00 0.00 C ATOM 380 O GLY A 27 -5.215 -8.060 -11.342 1.00 0.00 O ATOM 0 H GLY A 27 -7.464 -9.250 -11.992 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.815 -8.300 -14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.086 -7.103 -13.850 1.00 0.00 H new ATOM 384 N ALA A 28 -6.077 -6.037 -11.872 1.00 0.00 N ATOM 385 CA ALA A 28 -5.489 -5.363 -10.728 1.00 0.00 C ATOM 386 C ALA A 28 -5.982 -3.915 -10.685 1.00 0.00 C ATOM 387 O ALA A 28 -5.931 -3.209 -11.691 1.00 0.00 O ATOM 388 CB ALA A 28 -3.964 -5.458 -10.808 1.00 0.00 C ATOM 0 H ALA A 28 -6.632 -5.437 -12.482 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.797 -5.843 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.522 -4.952 -9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.664 -6.506 -10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.618 -4.984 -11.726 1.00 0.00 H new ATOM 394 N VAL A 29 -6.447 -3.516 -9.511 1.00 0.00 N ATOM 395 CA VAL A 29 -6.949 -2.165 -9.324 1.00 0.00 C ATOM 396 C VAL A 29 -5.859 -1.305 -8.682 1.00 0.00 C ATOM 397 O VAL A 29 -4.981 -1.822 -7.993 1.00 0.00 O ATOM 398 CB VAL A 29 -8.244 -2.196 -8.510 1.00 0.00 C ATOM 399 CG1 VAL A 29 -7.947 -2.253 -7.010 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.133 -0.997 -8.848 1.00 0.00 C ATOM 0 H VAL A 29 -6.487 -4.105 -8.679 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.196 -1.713 -10.284 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.787 -3.102 -8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.884 -2.274 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.372 -3.152 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.372 -1.374 -6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.047 -1.043 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.600 -0.074 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.386 -1.019 -9.908 1.00 0.00 H new ATOM 410 N ASP A 30 -5.951 -0.007 -8.931 1.00 0.00 N ATOM 411 CA ASP A 30 -4.983 0.929 -8.385 1.00 0.00 C ATOM 412 C ASP A 30 -5.678 1.842 -7.373 1.00 0.00 C ATOM 413 O ASP A 30 -6.472 2.703 -7.750 1.00 0.00 O ATOM 414 CB ASP A 30 -4.388 1.810 -9.485 1.00 0.00 C ATOM 415 CG ASP A 30 -5.346 2.850 -10.070 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.552 2.531 -10.147 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.851 3.941 -10.427 1.00 0.00 O ATOM 0 H ASP A 30 -6.680 0.418 -9.503 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.187 0.354 -7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.516 2.326 -9.084 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.035 1.168 -10.292 1.00 0.00 H new ATOM 422 N TRP A 31 -5.355 1.623 -6.107 1.00 0.00 N ATOM 423 CA TRP A 31 -5.938 2.415 -5.037 1.00 0.00 C ATOM 424 C TRP A 31 -5.107 3.691 -4.887 1.00 0.00 C ATOM 425 O TRP A 31 -3.992 3.652 -4.369 1.00 0.00 O ATOM 426 CB TRP A 31 -6.030 1.605 -3.743 1.00 0.00 C ATOM 427 CG TRP A 31 -6.387 2.440 -2.511 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.076 3.588 -2.463 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.041 2.142 -1.141 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.200 4.050 -1.169 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.550 3.143 -0.339 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.322 1.063 -0.599 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.395 3.164 1.052 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.175 1.099 0.793 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.682 2.099 1.615 1.00 0.00 C ATOM 0 H TRP A 31 -4.697 0.908 -5.798 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.964 2.694 -5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.778 0.823 -3.868 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.076 1.108 -3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.483 4.089 -3.329 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.680 4.901 -0.875 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.915 0.269 -1.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.803 3.959 1.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.629 0.293 1.261 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.527 2.054 2.683 1.00 0.00 H new ATOM 446 N THR A 32 -5.682 4.792 -5.348 1.00 0.00 N ATOM 447 CA THR A 32 -5.008 6.077 -5.271 1.00 0.00 C ATOM 448 C THR A 32 -4.890 6.530 -3.815 1.00 0.00 C ATOM 449 O THR A 32 -5.884 6.905 -3.195 1.00 0.00 O ATOM 450 CB THR A 32 -5.772 7.065 -6.155 1.00 0.00 C ATOM 451 OG1 THR A 32 -4.944 8.224 -6.176 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.072 7.547 -5.507 1.00 0.00 C ATOM 0 H THR A 32 -6.607 4.821 -5.776 1.00 0.00 H new ATOM 0 HA THR A 32 -3.985 6.011 -5.642 1.00 0.00 H new ATOM 0 HB THR A 32 -5.996 6.596 -7.113 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.364 8.916 -6.729 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.575 8.246 -6.176 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.723 6.693 -5.318 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.846 8.046 -4.565 1.00 0.00 H new ATOM 460 N VAL A 33 -3.666 6.481 -3.311 1.00 0.00 N ATOM 461 CA VAL A 33 -3.404 6.882 -1.939 1.00 0.00 C ATOM 462 C VAL A 33 -2.571 8.165 -1.937 1.00 0.00 C ATOM 463 O VAL A 33 -1.484 8.204 -2.512 1.00 0.00 O ATOM 464 CB VAL A 33 -2.738 5.735 -1.176 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.436 6.140 0.268 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.601 4.472 -1.222 1.00 0.00 C ATOM 0 H VAL A 33 -2.844 6.170 -3.828 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.338 7.100 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.791 5.512 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.963 5.307 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.765 6.999 0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.365 6.403 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.105 3.672 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.571 4.677 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.743 4.166 -2.258 1.00 0.00 H new ATOM 476 N HIS A 34 -3.112 9.184 -1.285 1.00 0.00 N ATOM 477 CA HIS A 34 -2.431 10.465 -1.201 1.00 0.00 C ATOM 478 C HIS A 34 -1.603 10.523 0.085 1.00 0.00 C ATOM 479 O HIS A 34 -0.471 11.002 0.077 1.00 0.00 O ATOM 480 CB HIS A 34 -3.429 11.619 -1.316 1.00 0.00 C ATOM 481 CG HIS A 34 -4.290 11.565 -2.555 1.00 0.00 C ATOM 482 ND1 HIS A 34 -5.035 10.550 -3.080 1.00 0.00 N flip ATOM 483 CD2 HIS A 34 -4.450 12.646 -3.405 1.00 0.00 C flip ATOM 484 CE1 HIS A 34 -5.619 10.987 -4.188 1.00 0.00 C flip ATOM 485 NE2 HIS A 34 -5.257 12.286 -4.392 1.00 0.00 N flip ATOM 0 H HIS A 34 -4.014 9.148 -0.810 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.743 10.571 -2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.074 11.617 -0.437 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.882 12.562 -1.307 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.994 13.618 -3.284 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.273 10.409 -4.824 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.555 12.877 -5.168 1.00 0.00 H new ATOM 493 N SER A 35 -2.201 10.027 1.158 1.00 0.00 N ATOM 494 CA SER A 35 -1.533 10.017 2.449 1.00 0.00 C ATOM 495 C SER A 35 -0.612 8.799 2.551 1.00 0.00 C ATOM 496 O SER A 35 -0.773 7.967 3.443 1.00 0.00 O ATOM 497 CB SER A 35 -2.547 10.012 3.594 1.00 0.00 C ATOM 498 OG SER A 35 -2.738 11.313 4.143 1.00 0.00 O ATOM 0 H SER A 35 -3.140 9.629 1.160 1.00 0.00 H new ATOM 0 HA SER A 35 -0.936 10.925 2.533 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.501 9.628 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.207 9.334 4.377 1.00 0.00 H new ATOM 0 HG SER A 35 -3.503 11.300 4.756 1.00 0.00 H new ATOM 504 N GLY A 36 0.334 8.734 1.626 1.00 0.00 N ATOM 505 CA GLY A 36 1.281 7.632 1.601 1.00 0.00 C ATOM 506 C GLY A 36 1.662 7.204 3.020 1.00 0.00 C ATOM 507 O GLY A 36 1.434 6.060 3.409 1.00 0.00 O ATOM 0 H GLY A 36 0.465 9.426 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.847 6.787 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.176 7.929 1.054 1.00 0.00 H new ATOM 511 N PRO A 37 2.252 8.171 3.772 1.00 0.00 N ATOM 512 CA PRO A 37 2.667 7.906 5.139 1.00 0.00 C ATOM 513 C PRO A 37 1.461 7.861 6.080 1.00 0.00 C ATOM 514 O PRO A 37 1.438 7.080 7.029 1.00 0.00 O ATOM 515 CB PRO A 37 3.643 9.021 5.478 1.00 0.00 C ATOM 516 CG PRO A 37 3.386 10.123 4.462 1.00 0.00 C ATOM 517 CD PRO A 37 2.539 9.537 3.344 1.00 0.00 C ATOM 0 HA PRO A 37 3.142 6.931 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.486 9.382 6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.673 8.669 5.421 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.872 10.962 4.931 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.327 10.506 4.067 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.622 10.108 3.202 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.073 9.550 2.394 1.00 0.00 H new ATOM 525 N GLN A 38 0.488 8.710 5.783 1.00 0.00 N ATOM 526 CA GLN A 38 -0.718 8.778 6.590 1.00 0.00 C ATOM 527 C GLN A 38 -1.685 7.660 6.194 1.00 0.00 C ATOM 528 O GLN A 38 -2.858 7.915 5.926 1.00 0.00 O ATOM 529 CB GLN A 38 -1.385 10.149 6.465 1.00 0.00 C ATOM 530 CG GLN A 38 -1.250 10.944 7.765 1.00 0.00 C ATOM 531 CD GLN A 38 -0.221 12.067 7.617 1.00 0.00 C ATOM 532 OE1 GLN A 38 0.160 12.455 6.525 1.00 0.00 O ATOM 533 NE2 GLN A 38 0.207 12.565 8.774 1.00 0.00 N ATOM 0 H GLN A 38 0.511 9.357 4.994 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.441 8.639 7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.930 10.705 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.439 10.024 6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.217 11.366 8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.952 10.277 8.574 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.153 12.194 9.653 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.895 13.318 8.782 1.00 0.00 H new ATOM 542 N LEU A 39 -1.156 6.445 6.169 1.00 0.00 N ATOM 543 CA LEU A 39 -1.958 5.288 5.810 1.00 0.00 C ATOM 544 C LEU A 39 -1.866 4.244 6.925 1.00 0.00 C ATOM 545 O LEU A 39 -0.789 4.002 7.467 1.00 0.00 O ATOM 546 CB LEU A 39 -1.546 4.757 4.435 1.00 0.00 C ATOM 547 CG LEU A 39 -2.427 3.649 3.853 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.840 4.163 3.572 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.783 3.034 2.608 1.00 0.00 C ATOM 0 H LEU A 39 -0.182 6.237 6.391 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.008 5.565 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.535 5.591 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.524 4.384 4.503 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.514 2.856 4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.445 3.356 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.290 4.516 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.793 4.984 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.429 2.249 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.646 3.806 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.815 2.608 2.872 1.00 0.00 H new ATOM 561 N LEU A 40 -3.011 3.653 7.234 1.00 0.00 N ATOM 562 CA LEU A 40 -3.074 2.641 8.274 1.00 0.00 C ATOM 563 C LEU A 40 -3.431 1.292 7.647 1.00 0.00 C ATOM 564 O LEU A 40 -3.937 1.239 6.527 1.00 0.00 O ATOM 565 CB LEU A 40 -4.031 3.074 9.386 1.00 0.00 C ATOM 566 CG LEU A 40 -3.572 4.255 10.244 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.710 4.762 11.133 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.328 3.892 11.057 1.00 0.00 C ATOM 0 H LEU A 40 -3.903 3.856 6.782 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.100 2.524 8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.989 3.330 8.934 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.205 2.220 10.041 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.294 5.073 9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.357 5.601 11.732 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.542 5.087 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.042 3.960 11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.023 4.749 11.658 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.554 3.051 11.713 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.519 3.617 10.381 1.00 0.00 H new ATOM 580 N PHE A 41 -3.153 0.235 8.396 1.00 0.00 N ATOM 581 CA PHE A 41 -3.438 -1.110 7.927 1.00 0.00 C ATOM 582 C PHE A 41 -4.933 -1.290 7.652 1.00 0.00 C ATOM 583 O PHE A 41 -5.317 -1.797 6.599 1.00 0.00 O ATOM 584 CB PHE A 41 -3.018 -2.071 9.041 1.00 0.00 C ATOM 585 CG PHE A 41 -3.229 -3.548 8.702 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.610 -4.092 7.620 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.035 -4.317 9.482 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.805 -5.463 7.305 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.231 -5.687 9.166 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.612 -6.232 8.085 1.00 0.00 C ATOM 0 H PHE A 41 -2.733 0.283 9.324 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.899 -1.302 6.999 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.965 -1.908 9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.580 -1.832 9.944 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.970 -3.481 7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.526 -3.885 10.342 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.313 -5.895 6.446 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.872 -6.297 9.785 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.761 -7.275 7.846 1.00 0.00 H new ATOM 600 N ARG A 42 -5.735 -0.864 8.616 1.00 0.00 N ATOM 601 CA ARG A 42 -7.178 -0.971 8.491 1.00 0.00 C ATOM 602 C ARG A 42 -7.649 -0.312 7.193 1.00 0.00 C ATOM 603 O ARG A 42 -8.394 -0.914 6.421 1.00 0.00 O ATOM 604 CB ARG A 42 -7.885 -0.309 9.676 1.00 0.00 C ATOM 605 CG ARG A 42 -7.404 -0.903 11.002 1.00 0.00 C ATOM 606 CD ARG A 42 -7.596 -2.421 11.024 1.00 0.00 C ATOM 607 NE ARG A 42 -8.907 -2.774 10.436 1.00 0.00 N ATOM 608 CZ ARG A 42 -10.072 -2.687 11.091 1.00 0.00 C ATOM 609 NH1 ARG A 42 -10.097 -2.259 12.361 1.00 0.00 N ATOM 610 NH2 ARG A 42 -11.214 -3.029 10.478 1.00 0.00 N ATOM 0 H ARG A 42 -5.413 -0.444 9.488 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.431 -2.031 8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.695 0.764 9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.963 -0.443 9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.351 -0.664 11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.954 -0.451 11.828 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.795 -2.905 10.465 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.537 -2.788 12.048 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.925 -3.104 9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.229 -1.999 12.829 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.984 -2.193 12.860 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.196 -3.356 9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.101 -2.962 10.978 1.00 0.00 H new ATOM 624 N ASP A 43 -7.196 0.917 6.992 1.00 0.00 N ATOM 625 CA ASP A 43 -7.561 1.664 5.801 1.00 0.00 C ATOM 626 C ASP A 43 -7.490 0.741 4.583 1.00 0.00 C ATOM 627 O ASP A 43 -8.438 0.663 3.803 1.00 0.00 O ATOM 628 CB ASP A 43 -6.599 2.831 5.566 1.00 0.00 C ATOM 629 CG ASP A 43 -6.992 4.140 6.253 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.082 4.123 7.499 1.00 0.00 O ATOM 631 OD2 ASP A 43 -7.193 5.130 5.516 1.00 0.00 O ATOM 0 H ASP A 43 -6.579 1.414 7.635 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.570 2.051 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.607 2.540 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.523 3.009 4.493 1.00 0.00 H new ATOM 636 N VAL A 44 -6.358 0.063 4.459 1.00 0.00 N ATOM 637 CA VAL A 44 -6.152 -0.852 3.350 1.00 0.00 C ATOM 638 C VAL A 44 -7.299 -1.863 3.308 1.00 0.00 C ATOM 639 O VAL A 44 -7.873 -2.113 2.249 1.00 0.00 O ATOM 640 CB VAL A 44 -4.776 -1.512 3.465 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.532 -2.476 2.303 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.668 -0.460 3.547 1.00 0.00 C ATOM 0 H VAL A 44 -5.574 0.129 5.108 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.161 -0.312 2.403 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.758 -2.090 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.547 -2.931 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.295 -3.255 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.580 -1.930 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.701 -0.956 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.685 0.157 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.828 0.169 4.423 1.00 0.00 H new ATOM 652 N LEU A 45 -7.598 -2.418 4.473 1.00 0.00 N ATOM 653 CA LEU A 45 -8.667 -3.397 4.584 1.00 0.00 C ATOM 654 C LEU A 45 -10.007 -2.717 4.300 1.00 0.00 C ATOM 655 O LEU A 45 -10.920 -3.338 3.758 1.00 0.00 O ATOM 656 CB LEU A 45 -8.610 -4.102 5.940 1.00 0.00 C ATOM 657 CG LEU A 45 -7.419 -5.037 6.161 1.00 0.00 C ATOM 658 CD1 LEU A 45 -7.005 -5.716 4.854 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.252 -4.294 6.815 1.00 0.00 C ATOM 0 H LEU A 45 -7.119 -2.209 5.349 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.543 -4.182 3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.600 -3.343 6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.527 -4.678 6.067 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.726 -5.824 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.157 -6.375 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.840 -6.300 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.723 -4.958 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.419 -4.982 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.937 -3.473 6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.568 -3.897 7.780 1.00 0.00 H new ATOM 671 N ASP A 46 -10.083 -1.449 4.679 1.00 0.00 N ATOM 672 CA ASP A 46 -11.297 -0.678 4.472 1.00 0.00 C ATOM 673 C ASP A 46 -11.493 -0.435 2.974 1.00 0.00 C ATOM 674 O ASP A 46 -12.621 -0.273 2.510 1.00 0.00 O ATOM 675 CB ASP A 46 -11.209 0.684 5.163 1.00 0.00 C ATOM 676 CG ASP A 46 -11.768 0.724 6.587 1.00 0.00 C ATOM 677 OD1 ASP A 46 -11.287 -0.085 7.409 1.00 0.00 O ATOM 678 OD2 ASP A 46 -12.665 1.563 6.821 1.00 0.00 O ATOM 0 H ASP A 46 -9.324 -0.937 5.128 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.130 -1.243 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.164 0.994 5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.743 1.417 4.558 1.00 0.00 H new ATOM 683 N VAL A 47 -10.378 -0.419 2.259 1.00 0.00 N ATOM 684 CA VAL A 47 -10.413 -0.199 0.823 1.00 0.00 C ATOM 685 C VAL A 47 -10.604 -1.540 0.111 1.00 0.00 C ATOM 686 O VAL A 47 -11.578 -1.726 -0.618 1.00 0.00 O ATOM 687 CB VAL A 47 -9.150 0.540 0.376 1.00 0.00 C ATOM 688 CG1 VAL A 47 -9.087 0.644 -1.149 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.067 1.924 1.023 1.00 0.00 C ATOM 0 H VAL A 47 -9.445 -0.555 2.647 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.257 0.436 0.554 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.288 -0.038 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.180 1.173 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.078 -0.356 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.958 1.189 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.160 2.428 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.937 2.513 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.044 1.818 2.108 1.00 0.00 H new ATOM 699 N ILE A 48 -9.661 -2.439 0.347 1.00 0.00 N ATOM 700 CA ILE A 48 -9.713 -3.757 -0.263 1.00 0.00 C ATOM 701 C ILE A 48 -11.141 -4.299 -0.174 1.00 0.00 C ATOM 702 O ILE A 48 -11.652 -4.874 -1.134 1.00 0.00 O ATOM 703 CB ILE A 48 -8.665 -4.679 0.363 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.255 -4.290 -0.085 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.977 -6.147 0.064 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.204 -5.189 0.570 1.00 0.00 C ATOM 0 H ILE A 48 -8.856 -2.281 0.953 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.459 -3.697 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.705 -4.556 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.180 -4.367 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.061 -3.249 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.217 -6.781 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.955 -6.402 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.982 -6.306 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.211 -4.891 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.266 -5.091 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.386 -6.226 0.289 1.00 0.00 H new ATOM 718 N GLY A 49 -11.745 -4.096 0.988 1.00 0.00 N ATOM 719 CA GLY A 49 -13.104 -4.557 1.215 1.00 0.00 C ATOM 720 C GLY A 49 -14.026 -4.134 0.069 1.00 0.00 C ATOM 721 O GLY A 49 -14.951 -4.861 -0.289 1.00 0.00 O ATOM 0 H GLY A 49 -11.318 -3.619 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.112 -5.643 1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.477 -4.151 2.155 1.00 0.00 H new ATOM 725 N GLN A 50 -13.741 -2.960 -0.474 1.00 0.00 N ATOM 726 CA GLN A 50 -14.532 -2.431 -1.572 1.00 0.00 C ATOM 727 C GLN A 50 -14.154 -3.126 -2.882 1.00 0.00 C ATOM 728 O GLN A 50 -14.993 -3.292 -3.766 1.00 0.00 O ATOM 729 CB GLN A 50 -14.366 -0.915 -1.688 1.00 0.00 C ATOM 730 CG GLN A 50 -14.570 -0.236 -0.332 1.00 0.00 C ATOM 731 CD GLN A 50 -15.539 0.943 -0.449 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.705 0.791 -0.776 1.00 0.00 O ATOM 733 NE2 GLN A 50 -14.993 2.122 -0.166 1.00 0.00 N ATOM 0 H GLN A 50 -12.973 -2.360 -0.174 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.583 -2.633 -1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.372 -0.683 -2.069 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.084 -0.521 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.957 -0.959 0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.611 0.113 0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.010 2.178 0.101 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.557 2.970 -0.216 1.00 0.00 H new ATOM 742 N VAL A 51 -12.889 -3.513 -2.965 1.00 0.00 N ATOM 743 CA VAL A 51 -12.389 -4.186 -4.152 1.00 0.00 C ATOM 744 C VAL A 51 -12.865 -5.640 -4.147 1.00 0.00 C ATOM 745 O VAL A 51 -13.275 -6.165 -5.181 1.00 0.00 O ATOM 746 CB VAL A 51 -10.866 -4.056 -4.225 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.331 -4.611 -5.546 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.430 -2.603 -4.023 1.00 0.00 C ATOM 0 H VAL A 51 -12.196 -3.373 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.785 -3.717 -5.052 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.440 -4.649 -3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.246 -4.506 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.596 -5.665 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.769 -4.058 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.343 -2.538 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.872 -1.979 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.764 -2.255 -3.045 1.00 0.00 H new ATOM 758 N LEU A 52 -12.796 -6.248 -2.972 1.00 0.00 N ATOM 759 CA LEU A 52 -13.215 -7.631 -2.820 1.00 0.00 C ATOM 760 C LEU A 52 -14.328 -7.709 -1.773 1.00 0.00 C ATOM 761 O LEU A 52 -14.083 -8.091 -0.629 1.00 0.00 O ATOM 762 CB LEU A 52 -12.012 -8.524 -2.508 1.00 0.00 C ATOM 763 CG LEU A 52 -11.089 -8.842 -3.686 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.239 -7.627 -4.059 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.231 -10.074 -3.392 1.00 0.00 C ATOM 0 H LEU A 52 -12.456 -5.809 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.629 -8.009 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.421 -8.044 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.380 -9.464 -2.096 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.708 -9.080 -4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.592 -7.880 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.891 -6.799 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.628 -7.335 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.584 -10.279 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.620 -9.889 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.877 -10.933 -3.213 1.00 0.00 H new ATOM 777 N PRO A 53 -15.558 -7.332 -2.212 1.00 0.00 N ATOM 778 CA PRO A 53 -16.709 -7.356 -1.326 1.00 0.00 C ATOM 779 C PRO A 53 -17.193 -8.789 -1.094 1.00 0.00 C ATOM 780 O PRO A 53 -17.884 -9.064 -0.115 1.00 0.00 O ATOM 781 CB PRO A 53 -17.749 -6.481 -2.007 1.00 0.00 C ATOM 782 CG PRO A 53 -17.318 -6.377 -3.461 1.00 0.00 C ATOM 783 CD PRO A 53 -15.885 -6.874 -3.559 1.00 0.00 C ATOM 0 HA PRO A 53 -16.480 -6.977 -0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.743 -6.920 -1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.796 -5.496 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.973 -6.973 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.389 -5.346 -3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.795 -7.682 -4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.212 -6.080 -3.881 1.00 0.00 H new ATOM 791 N GLU A 54 -16.811 -9.664 -2.013 1.00 0.00 N ATOM 792 CA GLU A 54 -17.197 -11.062 -1.921 1.00 0.00 C ATOM 793 C GLU A 54 -16.020 -11.907 -1.429 1.00 0.00 C ATOM 794 O GLU A 54 -16.127 -13.128 -1.330 1.00 0.00 O ATOM 795 CB GLU A 54 -17.717 -11.576 -3.265 1.00 0.00 C ATOM 796 CG GLU A 54 -18.094 -10.415 -4.188 1.00 0.00 C ATOM 797 CD GLU A 54 -19.093 -10.866 -5.256 1.00 0.00 C ATOM 798 OE1 GLU A 54 -18.910 -11.993 -5.764 1.00 0.00 O ATOM 799 OE2 GLU A 54 -20.016 -10.073 -5.539 1.00 0.00 O ATOM 0 H GLU A 54 -16.238 -9.432 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.008 -11.148 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.955 -12.192 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.586 -12.213 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.525 -9.604 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.198 -10.020 -4.667 1.00 0.00 H new ATOM 806 N ALA A 55 -14.925 -11.223 -1.134 1.00 0.00 N ATOM 807 CA ALA A 55 -13.729 -11.895 -0.655 1.00 0.00 C ATOM 808 C ALA A 55 -13.038 -11.015 0.389 1.00 0.00 C ATOM 809 O ALA A 55 -11.964 -10.472 0.134 1.00 0.00 O ATOM 810 CB ALA A 55 -12.817 -12.221 -1.839 1.00 0.00 C ATOM 0 H ALA A 55 -14.841 -10.210 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.986 -12.838 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.920 -12.725 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.344 -12.872 -2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.536 -11.298 -2.347 1.00 0.00 H new ATOM 816 N THR A 56 -13.682 -10.901 1.541 1.00 0.00 N ATOM 817 CA THR A 56 -13.142 -10.097 2.624 1.00 0.00 C ATOM 818 C THR A 56 -11.644 -10.360 2.788 1.00 0.00 C ATOM 819 O THR A 56 -11.167 -11.456 2.500 1.00 0.00 O ATOM 820 CB THR A 56 -13.954 -10.396 3.885 1.00 0.00 C ATOM 821 OG1 THR A 56 -15.262 -9.921 3.577 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.519 -9.542 5.078 1.00 0.00 C ATOM 0 H THR A 56 -14.573 -11.352 1.748 1.00 0.00 H new ATOM 0 HA THR A 56 -13.231 -9.032 2.409 1.00 0.00 H new ATOM 0 HB THR A 56 -13.854 -11.451 4.139 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.855 -10.077 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.127 -9.794 5.947 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.470 -9.736 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.650 -8.487 4.837 1.00 0.00 H new ATOM 830 N THR A 57 -10.943 -9.335 3.252 1.00 0.00 N ATOM 831 CA THR A 57 -9.509 -9.442 3.458 1.00 0.00 C ATOM 832 C THR A 57 -9.091 -8.666 4.709 1.00 0.00 C ATOM 833 O THR A 57 -9.582 -7.565 4.954 1.00 0.00 O ATOM 834 CB THR A 57 -8.811 -8.962 2.184 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.676 -10.141 1.397 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.369 -8.516 2.439 1.00 0.00 C ATOM 0 H THR A 57 -11.342 -8.427 3.491 1.00 0.00 H new ATOM 0 HA THR A 57 -9.211 -10.475 3.639 1.00 0.00 H new ATOM 0 HB THR A 57 -9.375 -8.136 1.750 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.377 -10.780 1.642 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.920 -8.185 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.364 -7.694 3.155 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.796 -9.351 2.841 1.00 0.00 H new ATOM 844 N THR A 58 -8.190 -9.272 5.468 1.00 0.00 N ATOM 845 CA THR A 58 -7.700 -8.652 6.688 1.00 0.00 C ATOM 846 C THR A 58 -6.230 -8.259 6.534 1.00 0.00 C ATOM 847 O THR A 58 -5.797 -7.238 7.066 1.00 0.00 O ATOM 848 CB THR A 58 -7.952 -9.621 7.845 1.00 0.00 C ATOM 849 OG1 THR A 58 -7.306 -10.823 7.438 1.00 0.00 O ATOM 850 CG2 THR A 58 -9.426 -10.014 7.969 1.00 0.00 C ATOM 0 H THR A 58 -7.786 -10.186 5.262 1.00 0.00 H new ATOM 0 HA THR A 58 -8.231 -7.724 6.900 1.00 0.00 H new ATOM 0 HB THR A 58 -7.617 -9.167 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.418 -11.506 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.550 -10.702 8.805 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.027 -9.121 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.752 -10.498 7.049 1.00 0.00 H new ATOM 858 N ALA A 59 -5.502 -9.090 5.802 1.00 0.00 N ATOM 859 CA ALA A 59 -4.089 -8.843 5.571 1.00 0.00 C ATOM 860 C ALA A 59 -3.804 -8.902 4.069 1.00 0.00 C ATOM 861 O ALA A 59 -4.672 -9.280 3.283 1.00 0.00 O ATOM 862 CB ALA A 59 -3.257 -9.854 6.362 1.00 0.00 C ATOM 0 H ALA A 59 -5.865 -9.935 5.361 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.812 -7.849 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.197 -9.668 6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.474 -9.751 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.506 -10.864 6.037 1.00 0.00 H new ATOM 868 N PHE A 60 -2.585 -8.523 3.715 1.00 0.00 N ATOM 869 CA PHE A 60 -2.175 -8.527 2.321 1.00 0.00 C ATOM 870 C PHE A 60 -0.656 -8.661 2.197 1.00 0.00 C ATOM 871 O PHE A 60 0.085 -8.187 3.057 1.00 0.00 O ATOM 872 CB PHE A 60 -2.609 -7.188 1.722 1.00 0.00 C ATOM 873 CG PHE A 60 -2.268 -5.978 2.594 1.00 0.00 C ATOM 874 CD1 PHE A 60 -3.105 -5.607 3.601 1.00 0.00 C ATOM 875 CD2 PHE A 60 -1.129 -5.272 2.363 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.789 -4.484 4.410 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.813 -4.149 3.172 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.649 -3.779 4.179 1.00 0.00 C ATOM 0 H PHE A 60 -1.868 -8.211 4.370 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.630 -9.370 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.135 -7.066 0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.685 -7.209 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.010 -6.167 3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.465 -5.566 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.454 -4.190 5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.091 -3.588 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.408 -2.925 4.795 1.00 0.00 H new ATOM 888 N GLU A 61 -0.237 -9.307 1.119 1.00 0.00 N ATOM 889 CA GLU A 61 1.180 -9.509 0.871 1.00 0.00 C ATOM 890 C GLU A 61 1.684 -8.509 -0.173 1.00 0.00 C ATOM 891 O GLU A 61 0.922 -8.064 -1.029 1.00 0.00 O ATOM 892 CB GLU A 61 1.461 -10.947 0.432 1.00 0.00 C ATOM 893 CG GLU A 61 0.955 -11.947 1.474 1.00 0.00 C ATOM 894 CD GLU A 61 1.270 -13.384 1.054 1.00 0.00 C ATOM 895 OE1 GLU A 61 2.435 -13.790 1.250 1.00 0.00 O ATOM 896 OE2 GLU A 61 0.338 -14.044 0.545 1.00 0.00 O ATOM 0 H GLU A 61 -0.854 -9.697 0.407 1.00 0.00 H new ATOM 0 HA GLU A 61 1.720 -9.336 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.979 -11.139 -0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.532 -11.083 0.283 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.417 -11.737 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.121 -11.830 1.603 1.00 0.00 H new ATOM 903 N TYR A 62 2.964 -8.186 -0.066 1.00 0.00 N ATOM 904 CA TYR A 62 3.579 -7.247 -0.990 1.00 0.00 C ATOM 905 C TYR A 62 5.037 -7.622 -1.263 1.00 0.00 C ATOM 906 O TYR A 62 5.814 -7.827 -0.332 1.00 0.00 O ATOM 907 CB TYR A 62 3.536 -5.884 -0.296 1.00 0.00 C ATOM 908 CG TYR A 62 4.733 -5.613 0.617 1.00 0.00 C ATOM 909 CD1 TYR A 62 5.949 -5.256 0.071 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.597 -5.724 1.985 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.076 -5.000 0.931 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.723 -5.469 2.845 1.00 0.00 C ATOM 913 CZ TYR A 62 6.908 -5.119 2.275 1.00 0.00 C ATOM 914 OH TYR A 62 7.972 -4.878 3.086 1.00 0.00 O ATOM 0 H TYR A 62 3.593 -8.557 0.646 1.00 0.00 H new ATOM 0 HA TYR A 62 3.053 -7.247 -1.945 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.486 -5.103 -1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.621 -5.816 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.056 -5.169 -1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.645 -6.003 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.033 -4.720 0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.629 -5.554 3.918 1.00 0.00 H new ATOM 0 HH TYR A 62 7.705 -5.000 4.021 1.00 0.00 H new ATOM 924 N GLU A 63 5.364 -7.700 -2.544 1.00 0.00 N ATOM 925 CA GLU A 63 6.715 -8.046 -2.952 1.00 0.00 C ATOM 926 C GLU A 63 7.718 -7.053 -2.361 1.00 0.00 C ATOM 927 O GLU A 63 7.579 -5.844 -2.540 1.00 0.00 O ATOM 928 CB GLU A 63 6.831 -8.101 -4.476 1.00 0.00 C ATOM 929 CG GLU A 63 6.655 -9.532 -4.988 1.00 0.00 C ATOM 930 CD GLU A 63 6.174 -9.539 -6.441 1.00 0.00 C ATOM 931 OE1 GLU A 63 5.664 -8.484 -6.875 1.00 0.00 O ATOM 932 OE2 GLU A 63 6.326 -10.600 -7.084 1.00 0.00 O ATOM 0 H GLU A 63 4.717 -7.530 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 63 6.947 -9.039 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.077 -7.455 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.804 -7.718 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.601 -10.068 -4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.937 -10.061 -4.361 1.00 0.00 H new ATOM 939 N ASP A 64 8.707 -7.601 -1.670 1.00 0.00 N ATOM 940 CA ASP A 64 9.733 -6.778 -1.052 1.00 0.00 C ATOM 941 C ASP A 64 10.875 -6.562 -2.047 1.00 0.00 C ATOM 942 O ASP A 64 10.793 -6.995 -3.195 1.00 0.00 O ATOM 943 CB ASP A 64 10.311 -7.459 0.190 1.00 0.00 C ATOM 944 CG ASP A 64 10.636 -8.945 0.021 1.00 0.00 C ATOM 945 OD1 ASP A 64 9.693 -9.699 -0.300 1.00 0.00 O ATOM 946 OD2 ASP A 64 11.820 -9.292 0.217 1.00 0.00 O ATOM 0 H ASP A 64 8.820 -8.604 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 64 9.278 -5.830 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.221 -6.935 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.601 -7.349 1.010 1.00 0.00 H new ATOM 951 N GLU A 65 11.915 -5.893 -1.570 1.00 0.00 N ATOM 952 CA GLU A 65 13.072 -5.614 -2.403 1.00 0.00 C ATOM 953 C GLU A 65 13.687 -6.920 -2.911 1.00 0.00 C ATOM 954 O GLU A 65 14.314 -6.945 -3.969 1.00 0.00 O ATOM 955 CB GLU A 65 14.106 -4.780 -1.644 1.00 0.00 C ATOM 956 CG GLU A 65 14.588 -5.513 -0.391 1.00 0.00 C ATOM 957 CD GLU A 65 15.029 -4.522 0.688 1.00 0.00 C ATOM 958 OE1 GLU A 65 14.348 -3.481 0.815 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.036 -4.827 1.362 1.00 0.00 O ATOM 0 H GLU A 65 11.980 -5.536 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 65 12.744 -5.030 -3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.955 -4.567 -2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.670 -3.821 -1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.788 -6.145 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.418 -6.171 -0.647 1.00 0.00 H new ATOM 966 N ASP A 66 13.486 -7.974 -2.134 1.00 0.00 N ATOM 967 CA ASP A 66 14.013 -9.280 -2.492 1.00 0.00 C ATOM 968 C ASP A 66 12.896 -10.123 -3.110 1.00 0.00 C ATOM 969 O ASP A 66 13.013 -11.344 -3.200 1.00 0.00 O ATOM 970 CB ASP A 66 14.536 -10.019 -1.259 1.00 0.00 C ATOM 971 CG ASP A 66 16.046 -10.269 -1.247 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.783 -9.306 -1.550 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.429 -11.418 -0.936 1.00 0.00 O ATOM 0 H ASP A 66 12.965 -7.950 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 66 14.830 -9.133 -3.198 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.271 -9.446 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.023 -10.978 -1.184 1.00 0.00 H new ATOM 978 N GLY A 67 11.838 -9.438 -3.520 1.00 0.00 N ATOM 979 CA GLY A 67 10.702 -10.110 -4.127 1.00 0.00 C ATOM 980 C GLY A 67 10.433 -11.455 -3.449 1.00 0.00 C ATOM 981 O GLY A 67 10.469 -12.499 -4.098 1.00 0.00 O ATOM 0 H GLY A 67 11.744 -8.425 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.818 -9.477 -4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.892 -10.266 -5.189 1.00 0.00 H new ATOM 985 N ASP A 68 10.169 -11.385 -2.152 1.00 0.00 N ATOM 986 CA ASP A 68 9.894 -12.585 -1.380 1.00 0.00 C ATOM 987 C ASP A 68 8.446 -12.548 -0.886 1.00 0.00 C ATOM 988 O ASP A 68 8.012 -13.439 -0.158 1.00 0.00 O ATOM 989 CB ASP A 68 10.808 -12.673 -0.156 1.00 0.00 C ATOM 990 CG ASP A 68 11.072 -14.091 0.353 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.050 -15.011 -0.493 1.00 0.00 O ATOM 992 OD2 ASP A 68 11.289 -14.224 1.577 1.00 0.00 O ATOM 0 H ASP A 68 10.140 -10.517 -1.617 1.00 0.00 H new ATOM 0 HA ASP A 68 10.068 -13.447 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.763 -12.207 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.366 -12.090 0.652 1.00 0.00 H new ATOM 997 N ARG A 69 7.739 -11.508 -1.303 1.00 0.00 N ATOM 998 CA ARG A 69 6.349 -11.343 -0.913 1.00 0.00 C ATOM 999 C ARG A 69 6.223 -11.338 0.612 1.00 0.00 C ATOM 1000 O ARG A 69 6.329 -12.384 1.250 1.00 0.00 O ATOM 1001 CB ARG A 69 5.480 -12.464 -1.486 1.00 0.00 C ATOM 1002 CG ARG A 69 5.403 -12.373 -3.011 1.00 0.00 C ATOM 1003 CD ARG A 69 4.186 -11.558 -3.452 1.00 0.00 C ATOM 1004 NE ARG A 69 3.939 -11.758 -4.898 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.324 -12.831 -5.414 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.889 -13.807 -4.606 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.144 -12.927 -6.738 1.00 0.00 N ATOM 0 H ARG A 69 8.103 -10.771 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 69 6.003 -10.390 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.890 -13.431 -1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.477 -12.404 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.312 -11.913 -3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.347 -13.375 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.309 -11.860 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.352 -10.501 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 69 4.257 -11.034 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.026 -13.733 -3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.421 -14.624 -4.999 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.475 -12.184 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.676 -13.744 -7.131 1.00 0.00 H new ATOM 1021 N ILE A 70 5.999 -10.149 1.151 1.00 0.00 N ATOM 1022 CA ILE A 70 5.857 -9.994 2.589 1.00 0.00 C ATOM 1023 C ILE A 70 4.388 -10.178 2.975 1.00 0.00 C ATOM 1024 O ILE A 70 3.539 -10.401 2.113 1.00 0.00 O ATOM 1025 CB ILE A 70 6.450 -8.659 3.045 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.684 -8.295 2.216 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.752 -8.677 4.545 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.772 -9.362 2.356 1.00 0.00 C ATOM 0 H ILE A 70 5.912 -9.284 0.618 1.00 0.00 H new ATOM 0 HA ILE A 70 6.423 -10.764 3.113 1.00 0.00 H new ATOM 0 HB ILE A 70 5.707 -7.880 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.405 -8.191 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.072 -7.329 2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.172 -7.717 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.831 -8.858 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.468 -9.470 4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.638 -9.079 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.066 -9.447 3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.388 -10.321 2.008 1.00 0.00 H new ATOM 1040 N THR A 71 4.133 -10.078 4.272 1.00 0.00 N ATOM 1041 CA THR A 71 2.782 -10.231 4.782 1.00 0.00 C ATOM 1042 C THR A 71 2.487 -9.165 5.839 1.00 0.00 C ATOM 1043 O THR A 71 3.080 -9.173 6.917 1.00 0.00 O ATOM 1044 CB THR A 71 2.633 -11.662 5.305 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.625 -12.462 4.126 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.262 -11.915 5.936 1.00 0.00 C ATOM 0 H THR A 71 4.840 -9.893 4.984 1.00 0.00 H new ATOM 0 HA THR A 71 2.043 -10.078 3.996 1.00 0.00 H new ATOM 0 HB THR A 71 3.413 -11.864 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.533 -13.406 4.372 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.209 -12.944 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.116 -11.234 6.775 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.483 -11.747 5.193 1.00 0.00 H new ATOM 1054 N VAL A 72 1.571 -8.273 5.494 1.00 0.00 N ATOM 1055 CA VAL A 72 1.190 -7.202 6.399 1.00 0.00 C ATOM 1056 C VAL A 72 -0.030 -7.638 7.214 1.00 0.00 C ATOM 1057 O VAL A 72 -1.133 -7.739 6.680 1.00 0.00 O ATOM 1058 CB VAL A 72 0.953 -5.911 5.613 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.534 -4.771 6.544 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.193 -5.528 4.802 1.00 0.00 C ATOM 0 H VAL A 72 1.081 -8.270 4.599 1.00 0.00 H new ATOM 0 HA VAL A 72 1.995 -6.994 7.104 1.00 0.00 H new ATOM 0 HB VAL A 72 0.136 -6.090 4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.372 -3.865 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.388 -5.041 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.320 -4.593 7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.998 -4.607 4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.036 -5.377 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.429 -6.327 4.099 1.00 0.00 H new ATOM 1070 N ARG A 73 0.210 -7.885 8.493 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.855 -8.308 9.386 1.00 0.00 C ATOM 1072 C ARG A 73 -1.194 -7.190 10.375 1.00 0.00 C ATOM 1073 O ARG A 73 -2.306 -7.134 10.897 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.456 -9.563 10.164 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.646 -10.819 9.312 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.596 -12.081 10.176 1.00 0.00 C ATOM 1077 NE ARG A 73 -1.698 -12.062 11.164 1.00 0.00 N ATOM 1078 CZ ARG A 73 -1.592 -11.549 12.397 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -0.434 -11.011 12.802 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -2.645 -11.575 13.226 1.00 0.00 N ATOM 0 H ARG A 73 1.127 -7.800 8.932 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.729 -8.535 8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.585 -9.486 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.057 -9.640 11.070 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.602 -10.768 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.131 -10.866 8.549 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.677 -12.967 9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.363 -12.142 10.690 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.594 -12.465 10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.368 -10.992 12.171 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.354 -10.621 13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.527 -11.985 12.918 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.565 -11.185 14.165 1.00 0.00 H new ATOM 1094 N SER A 74 -0.214 -6.327 10.602 1.00 0.00 N ATOM 1095 CA SER A 74 -0.395 -5.214 11.519 1.00 0.00 C ATOM 1096 C SER A 74 0.217 -3.944 10.925 1.00 0.00 C ATOM 1097 O SER A 74 0.932 -4.002 9.926 1.00 0.00 O ATOM 1098 CB SER A 74 0.230 -5.517 12.882 1.00 0.00 C ATOM 1099 OG SER A 74 -0.265 -6.733 13.437 1.00 0.00 O ATOM 0 H SER A 74 0.707 -6.376 10.167 1.00 0.00 H new ATOM 0 HA SER A 74 -1.464 -5.061 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.313 -5.580 12.778 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.023 -4.695 13.567 1.00 0.00 H new ATOM 0 HG SER A 74 0.159 -6.892 14.306 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.086 -2.824 11.566 1.00 0.00 N ATOM 1106 CA ASP A 75 0.425 -1.541 11.115 1.00 0.00 C ATOM 1107 C ASP A 75 1.950 -1.610 11.019 1.00 0.00 C ATOM 1108 O ASP A 75 2.546 -1.031 10.112 1.00 0.00 O ATOM 1109 CB ASP A 75 0.062 -0.427 12.098 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.048 0.515 11.628 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.770 1.299 10.695 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -2.150 0.429 12.211 1.00 0.00 O ATOM 0 H ASP A 75 -0.679 -2.779 12.394 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.020 -1.323 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.242 -0.881 13.041 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.956 0.163 12.302 1.00 0.00 H new ATOM 1117 N GLU A 76 2.539 -2.323 11.968 1.00 0.00 N ATOM 1118 CA GLU A 76 3.984 -2.474 12.003 1.00 0.00 C ATOM 1119 C GLU A 76 4.509 -2.875 10.623 1.00 0.00 C ATOM 1120 O GLU A 76 5.388 -2.214 10.073 1.00 0.00 O ATOM 1121 CB GLU A 76 4.403 -3.492 13.066 1.00 0.00 C ATOM 1122 CG GLU A 76 5.639 -3.010 13.828 1.00 0.00 C ATOM 1123 CD GLU A 76 6.174 -4.106 14.753 1.00 0.00 C ATOM 1124 OE1 GLU A 76 6.850 -5.014 14.225 1.00 0.00 O ATOM 1125 OE2 GLU A 76 5.894 -4.009 15.968 1.00 0.00 O ATOM 0 H GLU A 76 2.042 -2.802 12.719 1.00 0.00 H new ATOM 0 HA GLU A 76 4.424 -1.514 12.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.581 -3.654 13.764 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.614 -4.451 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.414 -2.715 13.121 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.388 -2.125 14.413 1.00 0.00 H new ATOM 1132 N GLU A 77 3.946 -3.956 10.102 1.00 0.00 N ATOM 1133 CA GLU A 77 4.347 -4.453 8.797 1.00 0.00 C ATOM 1134 C GLU A 77 4.050 -3.409 7.718 1.00 0.00 C ATOM 1135 O GLU A 77 4.835 -3.233 6.788 1.00 0.00 O ATOM 1136 CB GLU A 77 3.655 -5.781 8.480 1.00 0.00 C ATOM 1137 CG GLU A 77 4.328 -6.939 9.219 1.00 0.00 C ATOM 1138 CD GLU A 77 3.286 -7.896 9.802 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.486 -7.423 10.638 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.313 -9.079 9.399 1.00 0.00 O ATOM 0 H GLU A 77 3.216 -4.501 10.560 1.00 0.00 H new ATOM 0 HA GLU A 77 5.421 -4.635 8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.604 -5.725 8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.685 -5.964 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.982 -7.480 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.956 -6.548 10.019 1.00 0.00 H new ATOM 1147 N MET A 78 2.915 -2.745 7.879 1.00 0.00 N ATOM 1148 CA MET A 78 2.506 -1.723 6.930 1.00 0.00 C ATOM 1149 C MET A 78 3.598 -0.667 6.756 1.00 0.00 C ATOM 1150 O MET A 78 4.214 -0.574 5.695 1.00 0.00 O ATOM 1151 CB MET A 78 1.222 -1.053 7.423 1.00 0.00 C ATOM 1152 CG MET A 78 0.075 -1.271 6.435 1.00 0.00 C ATOM 1153 SD MET A 78 0.038 0.055 5.240 1.00 0.00 S ATOM 1154 CE MET A 78 -0.882 1.276 6.161 1.00 0.00 C ATOM 0 H MET A 78 2.266 -2.894 8.652 1.00 0.00 H new ATOM 0 HA MET A 78 2.331 -2.199 5.965 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.948 -1.456 8.398 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.393 0.015 7.557 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.199 -2.227 5.926 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.873 -1.316 6.970 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.429 2.257 6.018 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.913 1.297 5.808 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.866 1.020 7.220 1.00 0.00 H new ATOM 1164 N LYS A 79 3.806 0.104 7.814 1.00 0.00 N ATOM 1165 CA LYS A 79 4.814 1.150 7.791 1.00 0.00 C ATOM 1166 C LYS A 79 6.065 0.632 7.079 1.00 0.00 C ATOM 1167 O LYS A 79 6.666 1.344 6.275 1.00 0.00 O ATOM 1168 CB LYS A 79 5.081 1.667 9.206 1.00 0.00 C ATOM 1169 CG LYS A 79 4.109 2.791 9.572 1.00 0.00 C ATOM 1170 CD LYS A 79 2.972 2.268 10.452 1.00 0.00 C ATOM 1171 CE LYS A 79 3.006 2.919 11.836 1.00 0.00 C ATOM 1172 NZ LYS A 79 2.088 4.079 11.886 1.00 0.00 N ATOM 0 H LYS A 79 3.293 0.025 8.692 1.00 0.00 H new ATOM 0 HA LYS A 79 4.458 2.010 7.224 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.983 0.849 9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.106 2.031 9.277 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.644 3.583 10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.698 3.231 8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.014 2.472 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.054 1.186 10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.722 2.190 12.594 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.021 3.241 12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.123 4.509 12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.377 4.781 11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.118 3.763 11.686 1.00 0.00 H new ATOM 1186 N ALA A 80 6.421 -0.603 7.400 1.00 0.00 N ATOM 1187 CA ALA A 80 7.590 -1.224 6.802 1.00 0.00 C ATOM 1188 C ALA A 80 7.413 -1.276 5.283 1.00 0.00 C ATOM 1189 O ALA A 80 8.246 -0.759 4.539 1.00 0.00 O ATOM 1190 CB ALA A 80 7.799 -2.612 7.412 1.00 0.00 C ATOM 0 H ALA A 80 5.920 -1.190 8.067 1.00 0.00 H new ATOM 0 HA ALA A 80 8.485 -0.638 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.676 -3.078 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.948 -2.518 8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.922 -3.230 7.220 1.00 0.00 H new ATOM 1196 N MET A 81 6.323 -1.904 4.867 1.00 0.00 N ATOM 1197 CA MET A 81 6.026 -2.030 3.450 1.00 0.00 C ATOM 1198 C MET A 81 6.143 -0.678 2.743 1.00 0.00 C ATOM 1199 O MET A 81 6.669 -0.597 1.634 1.00 0.00 O ATOM 1200 CB MET A 81 4.609 -2.578 3.272 1.00 0.00 C ATOM 1201 CG MET A 81 4.193 -2.553 1.800 1.00 0.00 C ATOM 1202 SD MET A 81 2.511 -3.129 1.631 1.00 0.00 S ATOM 1203 CE MET A 81 1.629 -1.672 2.165 1.00 0.00 C ATOM 0 H MET A 81 5.634 -2.331 5.487 1.00 0.00 H new ATOM 0 HA MET A 81 6.748 -2.715 3.006 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.560 -3.599 3.650 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.909 -1.986 3.862 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.281 -1.541 1.406 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.862 -3.182 1.214 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.837 -1.444 1.452 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.192 -1.851 3.148 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.319 -0.830 2.222 1.00 0.00 H new ATOM 1213 N LEU A 82 5.645 0.350 3.415 1.00 0.00 N ATOM 1214 CA LEU A 82 5.688 1.694 2.865 1.00 0.00 C ATOM 1215 C LEU A 82 7.121 2.224 2.933 1.00 0.00 C ATOM 1216 O LEU A 82 7.628 2.780 1.961 1.00 0.00 O ATOM 1217 CB LEU A 82 4.666 2.592 3.566 1.00 0.00 C ATOM 1218 CG LEU A 82 3.202 2.371 3.180 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.282 2.561 4.388 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.802 3.270 2.008 1.00 0.00 C ATOM 0 H LEU A 82 5.210 0.279 4.335 1.00 0.00 H new ATOM 0 HA LEU A 82 5.402 1.684 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.763 2.448 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.923 3.631 3.359 1.00 0.00 H new ATOM 0 HG LEU A 82 3.088 1.339 2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.247 2.398 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.550 1.846 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.392 3.575 4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.757 3.093 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.935 4.315 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.429 3.043 1.145 1.00 0.00 H new ATOM 1232 N SER A 83 7.734 2.032 4.092 1.00 0.00 N ATOM 1233 CA SER A 83 9.100 2.483 4.300 1.00 0.00 C ATOM 1234 C SER A 83 10.000 1.961 3.179 1.00 0.00 C ATOM 1235 O SER A 83 10.969 2.617 2.799 1.00 0.00 O ATOM 1236 CB SER A 83 9.629 2.028 5.661 1.00 0.00 C ATOM 1237 OG SER A 83 11.018 2.305 5.814 1.00 0.00 O ATOM 0 H SER A 83 7.310 1.570 4.897 1.00 0.00 H new ATOM 0 HA SER A 83 9.106 3.573 4.284 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.070 2.528 6.452 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.458 0.958 5.777 1.00 0.00 H new ATOM 0 HG SER A 83 11.317 2.001 6.696 1.00 0.00 H new ATOM 1243 N TYR A 84 9.649 0.784 2.681 1.00 0.00 N ATOM 1244 CA TYR A 84 10.413 0.166 1.611 1.00 0.00 C ATOM 1245 C TYR A 84 10.029 0.755 0.252 1.00 0.00 C ATOM 1246 O TYR A 84 10.849 1.394 -0.406 1.00 0.00 O ATOM 1247 CB TYR A 84 10.045 -1.318 1.632 1.00 0.00 C ATOM 1248 CG TYR A 84 9.928 -1.951 0.244 1.00 0.00 C ATOM 1249 CD1 TYR A 84 10.993 -1.892 -0.633 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.759 -2.580 -0.132 1.00 0.00 C ATOM 1251 CE1 TYR A 84 10.883 -2.487 -1.940 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.649 -3.175 -1.439 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.717 -3.099 -2.278 1.00 0.00 C ATOM 1254 OH TYR A 84 9.614 -3.662 -3.512 1.00 0.00 O ATOM 0 H TYR A 84 8.845 0.242 2.999 1.00 0.00 H new ATOM 0 HA TYR A 84 11.480 0.334 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.797 -1.860 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.097 -1.439 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.908 -1.400 -0.339 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.926 -2.626 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.708 -2.448 -2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.740 -3.670 -1.746 1.00 0.00 H new ATOM 0 HH TYR A 84 8.994 -4.420 -3.475 1.00 0.00 H new ATOM 1264 N TYR A 85 8.782 0.520 -0.128 1.00 0.00 N ATOM 1265 CA TYR A 85 8.279 1.019 -1.397 1.00 0.00 C ATOM 1266 C TYR A 85 8.867 2.395 -1.716 1.00 0.00 C ATOM 1267 O TYR A 85 9.288 2.648 -2.844 1.00 0.00 O ATOM 1268 CB TYR A 85 6.765 1.151 -1.228 1.00 0.00 C ATOM 1269 CG TYR A 85 6.030 1.566 -2.504 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.943 0.690 -3.566 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.454 2.817 -2.593 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.251 1.080 -4.767 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.762 3.208 -3.794 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.695 2.320 -4.822 1.00 0.00 C ATOM 1275 OH TYR A 85 4.042 2.689 -5.956 1.00 0.00 O ATOM 0 H TYR A 85 8.104 -0.010 0.421 1.00 0.00 H new ATOM 0 HA TYR A 85 8.551 0.346 -2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.364 0.198 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.559 1.884 -0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.394 -0.289 -3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.522 3.503 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.175 0.403 -5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.307 4.184 -3.876 1.00 0.00 H new ATOM 0 HH TYR A 85 4.666 2.677 -6.711 1.00 0.00 H new ATOM 1285 N TYR A 86 8.876 3.249 -0.703 1.00 0.00 N ATOM 1286 CA TYR A 86 9.405 4.593 -0.861 1.00 0.00 C ATOM 1287 C TYR A 86 10.931 4.573 -0.965 1.00 0.00 C ATOM 1288 O TYR A 86 11.509 5.265 -1.801 1.00 0.00 O ATOM 1289 CB TYR A 86 9.001 5.356 0.402 1.00 0.00 C ATOM 1290 CG TYR A 86 7.489 5.487 0.593 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.658 5.560 -0.507 1.00 0.00 C ATOM 1292 CD2 TYR A 86 6.956 5.534 1.865 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.235 5.683 -0.326 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.532 5.657 2.045 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.742 5.726 0.940 1.00 0.00 C ATOM 1296 OH TYR A 86 3.398 5.842 1.111 1.00 0.00 O ATOM 0 H TYR A 86 8.525 3.036 0.231 1.00 0.00 H new ATOM 0 HA TYR A 86 9.018 5.054 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.424 4.851 1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.440 6.353 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.075 5.525 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.606 5.479 2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.573 5.740 -1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.102 5.694 3.035 1.00 0.00 H new ATOM 0 HH TYR A 86 2.935 5.447 0.343 1.00 0.00 H new ATOM 1306 N SER A 87 11.540 3.772 -0.103 1.00 0.00 N ATOM 1307 CA SER A 87 12.988 3.653 -0.087 1.00 0.00 C ATOM 1308 C SER A 87 13.492 3.210 -1.462 1.00 0.00 C ATOM 1309 O SER A 87 14.608 3.546 -1.857 1.00 0.00 O ATOM 1310 CB SER A 87 13.448 2.667 0.989 1.00 0.00 C ATOM 1311 OG SER A 87 14.866 2.660 1.136 1.00 0.00 O ATOM 0 H SER A 87 11.057 3.199 0.589 1.00 0.00 H new ATOM 0 HA SER A 87 13.408 4.630 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.986 2.928 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.105 1.665 0.733 1.00 0.00 H new ATOM 0 HG SER A 87 15.119 2.019 1.833 1.00 0.00 H new ATOM 1317 N THR A 88 12.646 2.461 -2.154 1.00 0.00 N ATOM 1318 CA THR A 88 12.991 1.969 -3.477 1.00 0.00 C ATOM 1319 C THR A 88 12.419 2.891 -4.556 1.00 0.00 C ATOM 1320 O THR A 88 13.118 3.258 -5.499 1.00 0.00 O ATOM 1321 CB THR A 88 12.498 0.525 -3.588 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.499 -0.126 -4.365 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.230 0.402 -4.436 1.00 0.00 C ATOM 0 H THR A 88 11.722 2.183 -1.823 1.00 0.00 H new ATOM 0 HA THR A 88 14.070 1.972 -3.631 1.00 0.00 H new ATOM 0 HB THR A 88 12.307 0.130 -2.590 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.259 -1.069 -4.484 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.923 -0.643 -4.482 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.433 0.995 -3.987 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.429 0.766 -5.444 1.00 0.00 H new ATOM 1331 N VAL A 89 11.152 3.238 -4.381 1.00 0.00 N ATOM 1332 CA VAL A 89 10.478 4.110 -5.328 1.00 0.00 C ATOM 1333 C VAL A 89 11.363 5.325 -5.616 1.00 0.00 C ATOM 1334 O VAL A 89 11.593 5.669 -6.774 1.00 0.00 O ATOM 1335 CB VAL A 89 9.095 4.491 -4.795 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.614 5.806 -5.411 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.085 3.369 -5.040 1.00 0.00 C ATOM 0 H VAL A 89 10.575 2.931 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 89 10.317 3.594 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 89 9.179 4.636 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.629 6.054 -5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.316 6.602 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.554 5.700 -6.494 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.111 3.665 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.006 3.178 -6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.417 2.463 -4.533 1.00 0.00 H new ATOM 1347 N MET A 90 11.836 5.940 -4.542 1.00 0.00 N ATOM 1348 CA MET A 90 12.691 7.109 -4.665 1.00 0.00 C ATOM 1349 C MET A 90 13.937 6.792 -5.493 1.00 0.00 C ATOM 1350 O MET A 90 14.460 7.659 -6.191 1.00 0.00 O ATOM 1351 CB MET A 90 13.110 7.583 -3.272 1.00 0.00 C ATOM 1352 CG MET A 90 14.311 6.785 -2.759 1.00 0.00 C ATOM 1353 SD MET A 90 15.829 7.545 -3.308 1.00 0.00 S ATOM 1354 CE MET A 90 16.464 8.132 -1.746 1.00 0.00 C ATOM 0 H MET A 90 11.644 5.651 -3.583 1.00 0.00 H new ATOM 0 HA MET A 90 12.131 7.894 -5.173 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.361 8.643 -3.305 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.275 7.474 -2.580 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.290 6.741 -1.670 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.257 5.758 -3.121 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.417 8.637 -1.907 1.00 0.00 H new ATOM 0 HE2 MET A 90 15.754 8.831 -1.304 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.610 7.288 -1.072 1.00 0.00 H new ATOM 1364 N GLU A 91 14.377 5.546 -5.389 1.00 0.00 N ATOM 1365 CA GLU A 91 15.552 5.104 -6.120 1.00 0.00 C ATOM 1366 C GLU A 91 15.221 4.932 -7.603 1.00 0.00 C ATOM 1367 O GLU A 91 16.102 5.037 -8.456 1.00 0.00 O ATOM 1368 CB GLU A 91 16.110 3.807 -5.528 1.00 0.00 C ATOM 1369 CG GLU A 91 17.028 4.097 -4.340 1.00 0.00 C ATOM 1370 CD GLU A 91 18.416 4.534 -4.813 1.00 0.00 C ATOM 1371 OE1 GLU A 91 19.259 3.631 -5.009 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.604 5.760 -4.968 1.00 0.00 O ATOM 0 H GLU A 91 13.941 4.829 -4.809 1.00 0.00 H new ATOM 0 HA GLU A 91 16.323 5.869 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.288 3.166 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.662 3.261 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.589 4.878 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.116 3.206 -3.718 1.00 0.00 H new ATOM 1379 N GLN A 92 13.949 4.671 -7.867 1.00 0.00 N ATOM 1380 CA GLN A 92 13.491 4.483 -9.233 1.00 0.00 C ATOM 1381 C GLN A 92 13.445 5.825 -9.966 1.00 0.00 C ATOM 1382 O GLN A 92 13.538 5.870 -11.192 1.00 0.00 O ATOM 1383 CB GLN A 92 12.124 3.795 -9.263 1.00 0.00 C ATOM 1384 CG GLN A 92 12.274 2.275 -9.172 1.00 0.00 C ATOM 1385 CD GLN A 92 11.317 1.572 -10.137 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.704 1.069 -11.179 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.050 1.564 -9.733 1.00 0.00 N ATOM 0 H GLN A 92 13.221 4.585 -7.158 1.00 0.00 H new ATOM 0 HA GLN A 92 14.199 3.834 -9.747 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.514 4.154 -8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.600 4.058 -10.182 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.301 1.993 -9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.074 1.946 -8.152 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.794 2.004 -8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.334 1.118 -10.307 1.00 0.00 H new ATOM 1396 N GLN A 93 13.302 6.886 -9.185 1.00 0.00 N ATOM 1397 CA GLN A 93 13.243 8.225 -9.745 1.00 0.00 C ATOM 1398 C GLN A 93 14.654 8.745 -10.028 1.00 0.00 C ATOM 1399 O GLN A 93 14.917 9.282 -11.103 1.00 0.00 O ATOM 1400 CB GLN A 93 12.486 9.176 -8.815 1.00 0.00 C ATOM 1401 CG GLN A 93 11.078 8.651 -8.523 1.00 0.00 C ATOM 1402 CD GLN A 93 10.056 9.790 -8.533 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.146 10.733 -9.303 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.083 9.651 -7.638 1.00 0.00 N ATOM 0 H GLN A 93 13.225 6.845 -8.169 1.00 0.00 H new ATOM 0 HA GLN A 93 12.697 8.179 -10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.036 9.292 -7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.422 10.164 -9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.803 7.904 -9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.065 8.154 -7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.067 8.837 -7.024 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.352 10.359 -7.565 1.00 0.00 H new ATOM 1413 N VAL A 94 15.525 8.565 -9.046 1.00 0.00 N ATOM 1414 CA VAL A 94 16.902 9.009 -9.177 1.00 0.00 C ATOM 1415 C VAL A 94 17.552 8.300 -10.367 1.00 0.00 C ATOM 1416 O VAL A 94 18.430 8.857 -11.023 1.00 0.00 O ATOM 1417 CB VAL A 94 17.652 8.781 -7.863 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.778 9.148 -6.662 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.150 7.338 -7.759 1.00 0.00 C ATOM 0 H VAL A 94 15.304 8.118 -8.156 1.00 0.00 H new ATOM 0 HA VAL A 94 16.940 10.080 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 94 18.523 9.437 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.335 8.977 -5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.496 10.199 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.880 8.530 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.680 7.203 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.301 6.656 -7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.825 7.125 -8.588 1.00 0.00 H new ATOM 1429 N ASN A 95 17.094 7.080 -10.609 1.00 0.00 N ATOM 1430 CA ASN A 95 17.619 6.289 -11.708 1.00 0.00 C ATOM 1431 C ASN A 95 17.102 6.855 -13.032 1.00 0.00 C ATOM 1432 O ASN A 95 17.877 7.373 -13.835 1.00 0.00 O ATOM 1433 CB ASN A 95 17.161 4.832 -11.607 1.00 0.00 C ATOM 1434 CG ASN A 95 18.282 3.941 -11.068 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.809 3.080 -11.753 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.616 4.195 -9.806 1.00 0.00 N ATOM 0 H ASN A 95 16.365 6.621 -10.063 1.00 0.00 H new ATOM 0 HA ASN A 95 18.707 6.330 -11.661 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.292 4.765 -10.953 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.849 4.476 -12.589 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.354 3.654 -9.355 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.134 4.931 -9.289 1.00 0.00 H new ATOM 1443 N GLY A 96 15.795 6.739 -13.218 1.00 0.00 N ATOM 1444 CA GLY A 96 15.165 7.233 -14.431 1.00 0.00 C ATOM 1445 C GLY A 96 13.834 6.524 -14.686 1.00 0.00 C ATOM 1446 O GLY A 96 12.797 7.171 -14.817 1.00 0.00 O ATOM 0 H GLY A 96 15.155 6.310 -12.549 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.999 8.307 -14.347 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.831 7.079 -15.280 1.00 0.00 H new ATOM 1450 N GLN A 97 13.908 5.202 -14.748 1.00 0.00 N ATOM 1451 CA GLN A 97 12.721 4.397 -14.985 1.00 0.00 C ATOM 1452 C GLN A 97 11.532 4.961 -14.204 1.00 0.00 C ATOM 1453 O GLN A 97 11.714 5.711 -13.246 1.00 0.00 O ATOM 1454 CB GLN A 97 12.971 2.932 -14.621 1.00 0.00 C ATOM 1455 CG GLN A 97 13.512 2.806 -13.195 1.00 0.00 C ATOM 1456 CD GLN A 97 14.231 1.470 -12.998 1.00 0.00 C ATOM 1457 OE1 GLN A 97 13.773 0.421 -13.418 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.381 1.568 -12.337 1.00 0.00 N ATOM 0 H GLN A 97 14.771 4.669 -14.638 1.00 0.00 H new ATOM 0 HA GLN A 97 12.484 4.438 -16.048 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.043 2.367 -14.713 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.681 2.495 -15.323 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.199 3.627 -12.989 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.692 2.890 -12.482 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.707 2.479 -12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.937 0.733 -12.154 1.00 0.00 H new ATOM 1467 N LEU A 98 10.342 4.579 -14.644 1.00 0.00 N ATOM 1468 CA LEU A 98 9.124 5.038 -13.998 1.00 0.00 C ATOM 1469 C LEU A 98 8.935 4.283 -12.680 1.00 0.00 C ATOM 1470 O LEU A 98 9.617 3.292 -12.425 1.00 0.00 O ATOM 1471 CB LEU A 98 7.934 4.916 -14.952 1.00 0.00 C ATOM 1472 CG LEU A 98 7.994 3.764 -15.957 1.00 0.00 C ATOM 1473 CD1 LEU A 98 8.416 2.462 -15.273 1.00 0.00 C ATOM 1474 CD2 LEU A 98 6.666 3.616 -16.701 1.00 0.00 C ATOM 0 H LEU A 98 10.195 3.957 -15.439 1.00 0.00 H new ATOM 0 HA LEU A 98 9.199 6.097 -13.751 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.027 4.806 -14.357 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.841 5.850 -15.506 1.00 0.00 H new ATOM 0 HG LEU A 98 8.755 3.999 -16.701 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.451 1.659 -16.009 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.402 2.588 -14.827 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.696 2.210 -14.495 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.736 2.790 -17.409 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.869 3.414 -15.986 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.446 4.538 -17.239 1.00 0.00 H new ATOM 1486 N ILE A 99 8.006 4.781 -11.878 1.00 0.00 N ATOM 1487 CA ILE A 99 7.719 4.167 -10.593 1.00 0.00 C ATOM 1488 C ILE A 99 6.658 3.080 -10.778 1.00 0.00 C ATOM 1489 O ILE A 99 5.811 3.179 -11.664 1.00 0.00 O ATOM 1490 CB ILE A 99 7.336 5.232 -9.563 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.414 6.313 -9.465 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.035 4.597 -8.204 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.657 5.783 -8.746 1.00 0.00 C ATOM 0 H ILE A 99 7.442 5.603 -12.093 1.00 0.00 H new ATOM 0 HA ILE A 99 8.610 3.680 -10.196 1.00 0.00 H new ATOM 0 HB ILE A 99 6.421 5.720 -9.900 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.685 6.653 -10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.020 7.177 -8.930 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.766 5.376 -7.490 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.207 3.896 -8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.918 4.067 -7.847 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.408 6.571 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.387 5.466 -7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.062 4.934 -9.297 1.00 0.00 H new ATOM 1505 N GLU A 100 6.740 2.067 -9.927 1.00 0.00 N ATOM 1506 CA GLU A 100 5.797 0.963 -9.986 1.00 0.00 C ATOM 1507 C GLU A 100 4.825 1.032 -8.806 1.00 0.00 C ATOM 1508 O GLU A 100 5.178 1.523 -7.735 1.00 0.00 O ATOM 1509 CB GLU A 100 6.528 -0.381 -10.016 1.00 0.00 C ATOM 1510 CG GLU A 100 7.052 -0.752 -8.628 1.00 0.00 C ATOM 1511 CD GLU A 100 8.405 -1.459 -8.723 1.00 0.00 C ATOM 1512 OE1 GLU A 100 9.127 -1.174 -9.703 1.00 0.00 O ATOM 1513 OE2 GLU A 100 8.688 -2.269 -7.814 1.00 0.00 O ATOM 0 H GLU A 100 7.444 1.988 -9.194 1.00 0.00 H new ATOM 0 HA GLU A 100 5.224 1.049 -10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.852 -1.158 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.358 -0.332 -10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.150 0.147 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.334 -1.400 -8.126 1.00 0.00 H new ATOM 1520 N PRO A 101 3.589 0.519 -9.049 1.00 0.00 N ATOM 1521 CA PRO A 101 2.564 0.517 -8.019 1.00 0.00 C ATOM 1522 C PRO A 101 2.843 -0.560 -6.970 1.00 0.00 C ATOM 1523 O PRO A 101 3.286 -1.658 -7.304 1.00 0.00 O ATOM 1524 CB PRO A 101 1.258 0.297 -8.765 1.00 0.00 C ATOM 1525 CG PRO A 101 1.643 -0.279 -10.118 1.00 0.00 C ATOM 1526 CD PRO A 101 3.137 -0.071 -10.306 1.00 0.00 C ATOM 0 HA PRO A 101 2.532 1.449 -7.454 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.607 -0.387 -8.220 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.711 1.233 -8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.396 -1.340 -10.165 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.086 0.214 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.646 -1.014 -10.507 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.342 0.588 -11.149 1.00 0.00 H new ATOM 1534 N LEU A 102 2.571 -0.210 -5.721 1.00 0.00 N ATOM 1535 CA LEU A 102 2.787 -1.133 -4.621 1.00 0.00 C ATOM 1536 C LEU A 102 2.008 -2.423 -4.882 1.00 0.00 C ATOM 1537 O LEU A 102 0.861 -2.558 -4.456 1.00 0.00 O ATOM 1538 CB LEU A 102 2.444 -0.467 -3.287 1.00 0.00 C ATOM 1539 CG LEU A 102 2.697 -1.306 -2.033 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.101 -1.913 -2.054 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.447 -0.487 -0.765 1.00 0.00 C ATOM 0 H LEU A 102 2.203 0.701 -5.447 1.00 0.00 H new ATOM 0 HA LEU A 102 3.840 -1.405 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.020 0.455 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.391 -0.185 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 102 1.987 -2.133 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.255 -2.504 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.208 -2.553 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.842 -1.115 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.634 -1.107 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.116 0.374 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.413 -0.143 -0.752 1.00 0.00 H new ATOM 1553 N GLN A 103 2.660 -3.340 -5.582 1.00 0.00 N ATOM 1554 CA GLN A 103 2.042 -4.614 -5.906 1.00 0.00 C ATOM 1555 C GLN A 103 1.711 -5.384 -4.626 1.00 0.00 C ATOM 1556 O GLN A 103 2.606 -5.897 -3.956 1.00 0.00 O ATOM 1557 CB GLN A 103 2.943 -5.442 -6.825 1.00 0.00 C ATOM 1558 CG GLN A 103 2.167 -6.603 -7.452 1.00 0.00 C ATOM 1559 CD GLN A 103 3.052 -7.396 -8.416 1.00 0.00 C ATOM 1560 OE1 GLN A 103 4.153 -6.998 -8.759 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.510 -8.537 -8.833 1.00 0.00 N ATOM 0 H GLN A 103 3.611 -3.226 -5.934 1.00 0.00 H new ATOM 0 HA GLN A 103 1.112 -4.419 -6.441 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.350 -4.806 -7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.789 -5.830 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.795 -7.262 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.297 -6.218 -7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.583 -8.811 -8.506 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.021 -9.138 -9.479 1.00 0.00 H new ATOM 1570 N ILE A 104 0.422 -5.440 -4.324 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.040 -6.138 -3.137 1.00 0.00 C ATOM 1572 C ILE A 104 -1.077 -7.188 -3.538 1.00 0.00 C ATOM 1573 O ILE A 104 -1.534 -7.210 -4.680 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.546 -5.141 -2.092 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.693 -4.297 -2.651 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.598 -4.275 -1.561 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.617 -3.816 -1.530 1.00 0.00 C ATOM 0 H ILE A 104 -0.317 -5.013 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 104 0.785 -6.670 -2.663 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.942 -5.703 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.289 -3.439 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.264 -4.884 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.211 -3.575 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.352 -4.912 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.047 -3.720 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.424 -3.218 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.038 -4.677 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.049 -3.209 -0.825 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.419 -8.034 -2.577 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.394 -9.084 -2.816 1.00 0.00 C ATOM 1591 C PHE A 105 -3.337 -9.239 -1.621 1.00 0.00 C ATOM 1592 O PHE A 105 -2.888 -9.370 -0.484 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.612 -10.385 -3.006 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.571 -10.329 -4.125 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.679 -9.860 -3.868 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.897 -10.746 -5.378 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.646 -9.807 -4.907 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.070 -10.693 -6.417 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.320 -10.225 -6.160 1.00 0.00 C ATOM 0 H PHE A 105 -1.038 -8.013 -1.631 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.997 -8.840 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.111 -10.636 -2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.314 -11.191 -3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.937 -9.528 -2.873 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.890 -11.117 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.639 -9.435 -4.703 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.188 -11.025 -7.412 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.055 -10.185 -6.951 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.662 -9.218 -1.928 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.672 -9.355 -0.893 1.00 0.00 C ATOM 1611 C PRO A 106 -5.771 -10.803 -0.411 1.00 0.00 C ATOM 1612 O PRO A 106 -6.230 -11.676 -1.147 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.958 -8.851 -1.528 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.722 -8.888 -3.030 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.231 -9.064 -3.264 1.00 0.00 C ATOM 0 HA PRO A 106 -5.435 -8.782 0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.804 -9.480 -1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.189 -7.840 -1.193 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.279 -9.708 -3.484 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.075 -7.967 -3.495 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.028 -9.937 -3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.806 -8.202 -3.778 1.00 0.00 H new ATOM 1623 N ARG A 107 -5.334 -11.015 0.822 1.00 0.00 N ATOM 1624 CA ARG A 107 -5.367 -12.343 1.410 1.00 0.00 C ATOM 1625 C ARG A 107 -6.761 -12.641 1.968 1.00 0.00 C ATOM 1626 O ARG A 107 -7.026 -12.402 3.145 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.337 -12.474 2.534 1.00 0.00 C ATOM 1628 CG ARG A 107 -3.043 -13.109 2.020 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.468 -14.087 3.046 1.00 0.00 C ATOM 1630 NE ARG A 107 -2.378 -15.442 2.459 1.00 0.00 N ATOM 1631 CZ ARG A 107 -2.145 -16.554 3.168 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -1.975 -16.479 4.495 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -2.080 -17.742 2.551 1.00 0.00 N ATOM 0 H ARG A 107 -4.955 -10.289 1.430 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.124 -13.059 0.625 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.123 -11.491 2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.749 -13.081 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.237 -13.631 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.312 -12.330 1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.480 -13.754 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -3.099 -14.108 3.934 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.501 -15.535 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.023 -15.575 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.798 -17.326 5.035 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.208 -17.800 1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.902 -18.588 3.092 1.00 0.00 H new