USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 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 82 THR OG1 : rot 97:sc= 0.409 USER MOD Set 1.2: A 87 TYR OH : rot 173:sc= -0.0721 USER MOD Set 2.1: A 67 HIS :FLIP no HE2:sc= -0.109 F(o=-3.1,f=-0.24) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= -0.13 USER MOD Set 3.1: A 35 LYS NZ :NH3+ 160:sc= 0.207 (180deg=-0.05) USER MOD Set 3.2: A 37 SER OG : rot 180:sc= -0.972 USER MOD Single : A 23 HIS : no HD1:sc= -0.699 X(o=-0.7,f=-0.25) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 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= -0.407 USER MOD Single : A 39 GLN : amide:sc= -0.0972 X(o=-0.097,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= -0.173 (180deg=-0.292) USER MOD Single : A 45 ASN : amide:sc= -0.0705 K(o=-0.07,f=-1) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 51 TYR OH : rot 150:sc= -1.28 USER MOD Single : A 54 SER OG : rot 114:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.06 K(o=-1.1,f=-6.7!) USER MOD Single : A 61 THR OG1 : rot -19:sc= 0.742 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 THR OG1 : rot -57:sc= 0.933 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.19 K(o=-0.19,f=-3.4!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 74:sc= 0.296 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -119:sc= -5.18! (180deg=-5.54!) USER MOD Single : A 95 THR OG1 : rot 150:sc= -1.22 USER MOD Single : A 96 SER OG : rot -30:sc= 1.05 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -2.12 K(o=-2.1,f=-6.9!) USER MOD Single : A 101 GLN : amide:sc= -0.889 K(o=-0.89,f=-3.3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0227 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -162:sc= -0.474! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.596 -0.749 -13.305 1.00 0.00 N ATOM 203 CA ASP A 16 17.225 0.262 -12.472 1.00 0.00 C ATOM 204 C ASP A 16 16.470 0.365 -11.145 1.00 0.00 C ATOM 205 O ASP A 16 17.021 0.060 -10.088 1.00 0.00 O ATOM 206 CB ASP A 16 17.184 1.635 -13.147 1.00 0.00 C ATOM 207 CG ASP A 16 18.171 2.661 -12.586 1.00 0.00 C ATOM 208 OD1 ASP A 16 19.371 2.318 -12.523 1.00 0.00 O ATOM 209 OD2 ASP A 16 17.702 3.764 -12.232 1.00 0.00 O ATOM 0 HA ASP A 16 18.263 -0.031 -12.312 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.383 1.506 -14.211 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.175 2.037 -13.057 1.00 0.00 H new ATOM 214 N VAL A 17 15.221 0.797 -11.243 1.00 0.00 N ATOM 215 CA VAL A 17 14.386 0.944 -10.063 1.00 0.00 C ATOM 216 C VAL A 17 14.495 -0.318 -9.206 1.00 0.00 C ATOM 217 O VAL A 17 14.968 -1.353 -9.674 1.00 0.00 O ATOM 218 CB VAL A 17 12.948 1.263 -10.477 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.780 2.755 -10.770 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.523 0.417 -11.679 1.00 0.00 C ATOM 0 H VAL A 17 14.767 1.050 -12.121 1.00 0.00 H new ATOM 0 HA VAL A 17 14.729 1.781 -9.454 1.00 0.00 H new ATOM 0 HB VAL A 17 12.295 1.010 -9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.749 2.955 -11.062 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.022 3.331 -9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.449 3.044 -11.580 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.497 0.663 -11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.183 0.624 -12.521 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.586 -0.640 -11.420 1.00 0.00 H new ATOM 230 N PRO A 18 14.038 -0.189 -7.931 1.00 0.00 N ATOM 231 CA PRO A 18 14.079 -1.306 -7.004 1.00 0.00 C ATOM 232 C PRO A 18 12.989 -2.329 -7.328 1.00 0.00 C ATOM 233 O PRO A 18 12.214 -2.140 -8.264 1.00 0.00 O ATOM 234 CB PRO A 18 13.918 -0.682 -5.628 1.00 0.00 C ATOM 235 CG PRO A 18 13.328 0.699 -5.863 1.00 0.00 C ATOM 236 CD PRO A 18 13.471 1.021 -7.342 1.00 0.00 C ATOM 0 HA PRO A 18 15.011 -1.868 -7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.262 -1.285 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.877 -0.615 -5.115 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.279 0.722 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.846 1.443 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.507 1.265 -7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.122 1.881 -7.499 1.00 0.00 H new ATOM 244 N GLY A 19 12.963 -3.391 -6.536 1.00 0.00 N ATOM 245 CA GLY A 19 11.980 -4.443 -6.727 1.00 0.00 C ATOM 246 C GLY A 19 10.803 -4.277 -5.763 1.00 0.00 C ATOM 247 O GLY A 19 10.533 -3.172 -5.293 1.00 0.00 O ATOM 0 H GLY A 19 13.607 -3.545 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.618 -4.425 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.448 -5.415 -6.571 1.00 0.00 H new ATOM 251 N PRO A 20 10.118 -5.419 -5.489 1.00 0.00 N ATOM 252 CA PRO A 20 8.977 -5.410 -4.590 1.00 0.00 C ATOM 253 C PRO A 20 9.428 -5.291 -3.133 1.00 0.00 C ATOM 254 O PRO A 20 10.321 -6.014 -2.695 1.00 0.00 O ATOM 255 CB PRO A 20 8.238 -6.706 -4.879 1.00 0.00 C ATOM 256 CG PRO A 20 9.236 -7.605 -5.591 1.00 0.00 C ATOM 257 CD PRO A 20 10.410 -6.744 -6.027 1.00 0.00 C ATOM 0 HA PRO A 20 8.324 -4.551 -4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.885 -7.168 -3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.362 -6.525 -5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.573 -8.402 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.772 -8.083 -6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.351 -7.131 -5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.501 -6.719 -7.113 1.00 0.00 H new ATOM 265 N VAL A 21 8.790 -4.372 -2.422 1.00 0.00 N ATOM 266 CA VAL A 21 9.114 -4.150 -1.024 1.00 0.00 C ATOM 267 C VAL A 21 8.982 -5.467 -0.258 1.00 0.00 C ATOM 268 O VAL A 21 8.815 -6.526 -0.861 1.00 0.00 O ATOM 269 CB VAL A 21 8.233 -3.036 -0.453 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.642 -1.672 -1.014 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.753 -3.317 -0.719 1.00 0.00 C ATOM 0 H VAL A 21 8.050 -3.773 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 21 10.146 -3.816 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 21 8.380 -3.012 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.001 -0.898 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.680 -1.467 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.538 -1.679 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.149 -2.511 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.582 -3.381 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.472 -4.260 -0.250 1.00 0.00 H new ATOM 281 N GLY A 22 9.062 -5.359 1.060 1.00 0.00 N ATOM 282 CA GLY A 22 8.954 -6.530 1.915 1.00 0.00 C ATOM 283 C GLY A 22 7.615 -7.239 1.706 1.00 0.00 C ATOM 284 O GLY A 22 7.086 -7.260 0.596 1.00 0.00 O ATOM 0 H GLY A 22 9.200 -4.479 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.771 -7.218 1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.053 -6.233 2.959 1.00 0.00 H new ATOM 288 N HIS A 23 7.105 -7.803 2.791 1.00 0.00 N ATOM 289 CA HIS A 23 5.838 -8.512 2.740 1.00 0.00 C ATOM 290 C HIS A 23 4.719 -7.601 3.251 1.00 0.00 C ATOM 291 O HIS A 23 4.816 -7.046 4.344 1.00 0.00 O ATOM 292 CB HIS A 23 5.923 -9.833 3.508 1.00 0.00 C ATOM 293 CG HIS A 23 5.519 -9.728 4.959 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.440 -10.414 5.489 1.00 0.00 N ATOM 295 CD2 HIS A 23 6.061 -9.011 5.985 1.00 0.00 C ATOM 296 CE1 HIS A 23 4.346 -10.115 6.776 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.351 -9.245 7.081 1.00 0.00 N ATOM 0 H HIS A 23 7.546 -7.783 3.710 1.00 0.00 H new ATOM 0 HA HIS A 23 5.605 -8.773 1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.286 -10.568 3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.945 -10.208 3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.922 -8.363 5.917 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.604 -10.494 7.463 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.528 -8.841 8.001 1.00 0.00 H new ATOM 305 N LEU A 24 3.683 -7.476 2.434 1.00 0.00 N ATOM 306 CA LEU A 24 2.548 -6.642 2.789 1.00 0.00 C ATOM 307 C LEU A 24 1.929 -7.157 4.090 1.00 0.00 C ATOM 308 O LEU A 24 1.772 -8.364 4.272 1.00 0.00 O ATOM 309 CB LEU A 24 1.557 -6.562 1.626 1.00 0.00 C ATOM 310 CG LEU A 24 1.570 -5.260 0.822 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.762 -4.170 1.531 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.003 -4.811 0.528 1.00 0.00 C ATOM 0 H LEU A 24 3.606 -7.938 1.528 1.00 0.00 H new ATOM 0 HA LEU A 24 2.871 -5.617 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.759 -7.388 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.552 -6.712 2.020 1.00 0.00 H new ATOM 0 HG LEU A 24 1.088 -5.446 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.787 -3.255 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.271 -4.499 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.193 -3.978 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.984 -3.884 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.533 -4.647 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.515 -5.582 -0.048 1.00 0.00 H new ATOM 324 N SER A 25 1.593 -6.217 4.961 1.00 0.00 N ATOM 325 CA SER A 25 0.994 -6.561 6.240 1.00 0.00 C ATOM 326 C SER A 25 -0.171 -5.617 6.544 1.00 0.00 C ATOM 327 O SER A 25 -0.188 -4.478 6.079 1.00 0.00 O ATOM 328 CB SER A 25 2.029 -6.507 7.365 1.00 0.00 C ATOM 329 OG SER A 25 1.671 -7.343 8.462 1.00 0.00 O ATOM 0 H SER A 25 1.724 -5.217 4.807 1.00 0.00 H new ATOM 0 HA SER A 25 0.618 -7.582 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.001 -6.813 6.978 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.134 -5.479 7.712 1.00 0.00 H new ATOM 0 HG SER A 25 2.358 -7.281 9.158 1.00 0.00 H new ATOM 335 N PHE A 26 -1.115 -6.125 7.322 1.00 0.00 N ATOM 336 CA PHE A 26 -2.281 -5.341 7.693 1.00 0.00 C ATOM 337 C PHE A 26 -2.676 -5.601 9.148 1.00 0.00 C ATOM 338 O PHE A 26 -2.847 -6.749 9.553 1.00 0.00 O ATOM 339 CB PHE A 26 -3.426 -5.782 6.780 1.00 0.00 C ATOM 340 CG PHE A 26 -3.161 -5.547 5.291 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.676 -4.349 4.868 1.00 0.00 C ATOM 342 CD2 PHE A 26 -3.411 -6.535 4.391 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.430 -4.130 3.487 1.00 0.00 C ATOM 344 CE2 PHE A 26 -3.165 -6.317 3.010 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.680 -5.119 2.587 1.00 0.00 C ATOM 0 H PHE A 26 -1.096 -7.070 7.706 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.063 -4.278 7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.618 -6.843 6.941 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.332 -5.247 7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.478 -3.564 5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.797 -7.486 4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.045 -3.179 3.151 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.363 -7.102 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.493 -4.953 1.536 1.00 0.00 H new ATOM 355 N SER A 27 -2.808 -4.514 9.895 1.00 0.00 N ATOM 356 CA SER A 27 -3.180 -4.610 11.296 1.00 0.00 C ATOM 357 C SER A 27 -4.178 -3.506 11.650 1.00 0.00 C ATOM 358 O SER A 27 -4.378 -2.573 10.874 1.00 0.00 O ATOM 359 CB SER A 27 -1.948 -4.521 12.200 1.00 0.00 C ATOM 360 OG SER A 27 -1.275 -5.772 12.310 1.00 0.00 O ATOM 0 H SER A 27 -2.664 -3.563 9.556 1.00 0.00 H new ATOM 0 HA SER A 27 -3.649 -5.580 11.459 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.261 -3.773 11.804 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.250 -4.183 13.191 1.00 0.00 H new ATOM 0 HG SER A 27 -0.494 -5.673 12.894 1.00 0.00 H new ATOM 366 N GLU A 28 -4.780 -3.649 12.821 1.00 0.00 N ATOM 367 CA GLU A 28 -5.753 -2.676 13.287 1.00 0.00 C ATOM 368 C GLU A 28 -6.769 -2.372 12.184 1.00 0.00 C ATOM 369 O GLU A 28 -7.031 -1.209 11.879 1.00 0.00 O ATOM 370 CB GLU A 28 -5.063 -1.397 13.765 1.00 0.00 C ATOM 371 CG GLU A 28 -4.226 -1.660 15.018 1.00 0.00 C ATOM 372 CD GLU A 28 -4.651 -0.741 16.165 1.00 0.00 C ATOM 373 OE1 GLU A 28 -4.849 0.461 15.885 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.769 -1.261 17.295 1.00 0.00 O ATOM 0 H GLU A 28 -4.613 -4.425 13.462 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.286 -3.102 14.137 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.425 -1.006 12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.811 -0.633 13.977 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.337 -2.701 15.321 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.171 -1.504 14.794 1.00 0.00 H new ATOM 381 N ILE A 29 -7.315 -3.437 11.616 1.00 0.00 N ATOM 382 CA ILE A 29 -8.296 -3.299 10.554 1.00 0.00 C ATOM 383 C ILE A 29 -9.682 -3.091 11.170 1.00 0.00 C ATOM 384 O ILE A 29 -10.053 -3.781 12.118 1.00 0.00 O ATOM 385 CB ILE A 29 -8.222 -4.490 9.597 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.769 -4.827 9.253 1.00 0.00 C ATOM 387 CG2 ILE A 29 -9.064 -4.241 8.345 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.677 -5.548 7.907 1.00 0.00 C ATOM 0 H ILE A 29 -7.096 -4.400 11.872 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.080 -2.419 9.948 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.644 -5.360 10.101 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.178 -3.912 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.342 -5.455 10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.994 -5.103 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.105 -4.087 8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.695 -3.355 7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.634 -5.776 7.687 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.249 -6.475 7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.082 -4.908 7.123 1.00 0.00 H new ATOM 400 N LEU A 30 -10.408 -2.137 10.605 1.00 0.00 N ATOM 401 CA LEU A 30 -11.744 -1.830 11.087 1.00 0.00 C ATOM 402 C LEU A 30 -12.765 -2.186 10.005 1.00 0.00 C ATOM 403 O LEU A 30 -12.822 -3.328 9.552 1.00 0.00 O ATOM 404 CB LEU A 30 -11.823 -0.375 11.553 1.00 0.00 C ATOM 405 CG LEU A 30 -10.999 -0.021 12.792 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.342 -0.947 13.961 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.502 -0.028 12.475 1.00 0.00 C ATOM 0 H LEU A 30 -10.096 -1.567 9.819 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.983 -2.434 11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.502 0.266 10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.867 -0.135 11.755 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.259 0.993 13.097 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.742 -0.674 14.829 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.400 -0.849 14.205 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.128 -1.979 13.682 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.939 0.227 13.373 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.208 -1.020 12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.292 0.704 11.695 1.00 0.00 H new ATOM 419 N ASP A 31 -13.548 -1.187 9.623 1.00 0.00 N ATOM 420 CA ASP A 31 -14.564 -1.381 8.603 1.00 0.00 C ATOM 421 C ASP A 31 -14.166 -0.615 7.340 1.00 0.00 C ATOM 422 O ASP A 31 -14.471 -1.043 6.228 1.00 0.00 O ATOM 423 CB ASP A 31 -15.921 -0.850 9.070 1.00 0.00 C ATOM 424 CG ASP A 31 -15.890 0.550 9.688 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.769 1.008 9.999 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.987 1.130 9.835 1.00 0.00 O ATOM 0 H ASP A 31 -13.499 -0.241 10.002 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.643 -2.450 8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.603 -0.840 8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.334 -1.545 9.802 1.00 0.00 H new ATOM 431 N THR A 32 -13.491 0.505 7.554 1.00 0.00 N ATOM 432 CA THR A 32 -13.047 1.334 6.446 1.00 0.00 C ATOM 433 C THR A 32 -11.684 1.955 6.757 1.00 0.00 C ATOM 434 O THR A 32 -11.287 2.936 6.130 1.00 0.00 O ATOM 435 CB THR A 32 -14.137 2.371 6.166 1.00 0.00 C ATOM 436 OG1 THR A 32 -14.116 3.216 7.314 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.541 1.763 6.178 1.00 0.00 C ATOM 0 H THR A 32 -13.241 0.858 8.478 1.00 0.00 H new ATOM 0 HA THR A 32 -12.901 0.742 5.543 1.00 0.00 H new ATOM 0 HB THR A 32 -13.952 2.839 5.199 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.792 3.919 7.215 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.276 2.541 5.974 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.609 0.990 5.413 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.739 1.324 7.156 1.00 0.00 H new ATOM 445 N SER A 33 -11.004 1.357 7.724 1.00 0.00 N ATOM 446 CA SER A 33 -9.693 1.838 8.126 1.00 0.00 C ATOM 447 C SER A 33 -8.807 0.661 8.537 1.00 0.00 C ATOM 448 O SER A 33 -9.220 -0.185 9.329 1.00 0.00 O ATOM 449 CB SER A 33 -9.804 2.846 9.272 1.00 0.00 C ATOM 450 OG SER A 33 -10.773 2.450 10.239 1.00 0.00 O ATOM 0 H SER A 33 -11.336 0.543 8.241 1.00 0.00 H new ATOM 0 HA SER A 33 -9.239 2.345 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.833 2.954 9.755 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.071 3.824 8.870 1.00 0.00 H new ATOM 0 HG SER A 33 -10.813 3.118 10.955 1.00 0.00 H new ATOM 456 N LEU A 34 -7.604 0.645 7.982 1.00 0.00 N ATOM 457 CA LEU A 34 -6.656 -0.415 8.281 1.00 0.00 C ATOM 458 C LEU A 34 -5.232 0.118 8.110 1.00 0.00 C ATOM 459 O LEU A 34 -4.989 0.997 7.284 1.00 0.00 O ATOM 460 CB LEU A 34 -6.954 -1.656 7.437 1.00 0.00 C ATOM 461 CG LEU A 34 -6.765 -1.501 5.927 1.00 0.00 C ATOM 462 CD1 LEU A 34 -5.287 -1.609 5.546 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.629 -2.503 5.160 1.00 0.00 C ATOM 0 H LEU A 34 -7.264 1.349 7.327 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.756 -0.733 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.314 -2.468 7.782 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.984 -1.960 7.625 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.100 -0.504 5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.180 -1.495 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.723 -0.825 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.904 -2.584 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.475 -2.371 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.349 -3.517 5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.679 -2.336 5.399 1.00 0.00 H new ATOM 475 N LYS A 35 -4.327 -0.437 8.903 1.00 0.00 N ATOM 476 CA LYS A 35 -2.934 -0.029 8.849 1.00 0.00 C ATOM 477 C LYS A 35 -2.176 -0.943 7.883 1.00 0.00 C ATOM 478 O LYS A 35 -2.378 -2.156 7.884 1.00 0.00 O ATOM 479 CB LYS A 35 -2.333 0.012 10.256 1.00 0.00 C ATOM 480 CG LYS A 35 -1.093 0.909 10.296 1.00 0.00 C ATOM 481 CD LYS A 35 0.167 0.119 9.936 1.00 0.00 C ATOM 482 CE LYS A 35 0.868 -0.397 11.194 1.00 0.00 C ATOM 483 NZ LYS A 35 1.093 -1.857 11.100 1.00 0.00 N ATOM 0 H LYS A 35 -4.532 -1.166 9.586 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.849 0.986 8.461 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.076 0.381 10.962 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.067 -0.997 10.571 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.217 1.739 9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.984 1.341 11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.097 -0.720 9.292 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.849 0.753 9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.821 0.116 11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.263 -0.172 12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.842 -2.136 11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.214 -2.360 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.381 -2.102 10.131 1.00 0.00 H new ATOM 497 N VAL A 36 -1.320 -0.324 7.083 1.00 0.00 N ATOM 498 CA VAL A 36 -0.531 -1.067 6.114 1.00 0.00 C ATOM 499 C VAL A 36 0.948 -0.977 6.492 1.00 0.00 C ATOM 500 O VAL A 36 1.462 0.111 6.751 1.00 0.00 O ATOM 501 CB VAL A 36 -0.821 -0.555 4.702 1.00 0.00 C ATOM 502 CG1 VAL A 36 0.141 -1.175 3.686 1.00 0.00 C ATOM 503 CG2 VAL A 36 -2.276 -0.818 4.310 1.00 0.00 C ATOM 0 H VAL A 36 -1.155 0.683 7.086 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.805 -2.122 6.125 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.664 0.524 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.087 -0.794 2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.166 -0.914 3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.030 -2.259 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.455 -0.444 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.473 -1.890 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.939 -0.308 5.009 1.00 0.00 H new ATOM 513 N SER A 37 1.593 -2.134 6.510 1.00 0.00 N ATOM 514 CA SER A 37 3.004 -2.200 6.851 1.00 0.00 C ATOM 515 C SER A 37 3.750 -3.062 5.831 1.00 0.00 C ATOM 516 O SER A 37 3.196 -4.025 5.303 1.00 0.00 O ATOM 517 CB SER A 37 3.204 -2.755 8.263 1.00 0.00 C ATOM 518 OG SER A 37 2.082 -3.516 8.701 1.00 0.00 O ATOM 0 H SER A 37 1.164 -3.034 6.294 1.00 0.00 H new ATOM 0 HA SER A 37 3.409 -1.188 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.097 -3.380 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.376 -1.931 8.956 1.00 0.00 H new ATOM 0 HG SER A 37 2.249 -3.854 9.605 1.00 0.00 H new ATOM 524 N TRP A 38 4.996 -2.684 5.583 1.00 0.00 N ATOM 525 CA TRP A 38 5.823 -3.411 4.635 1.00 0.00 C ATOM 526 C TRP A 38 7.275 -3.319 5.108 1.00 0.00 C ATOM 527 O TRP A 38 7.554 -2.746 6.160 1.00 0.00 O ATOM 528 CB TRP A 38 5.622 -2.882 3.214 1.00 0.00 C ATOM 529 CG TRP A 38 5.939 -1.394 3.053 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.119 -0.828 2.767 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.008 -0.298 3.182 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.018 0.547 2.702 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.694 0.880 2.962 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.633 -0.302 3.474 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.087 2.140 3.012 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.042 0.967 3.519 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.718 2.161 3.301 1.00 0.00 C ATOM 0 H TRP A 38 5.452 -1.884 6.022 1.00 0.00 H new ATOM 0 HA TRP A 38 5.535 -4.462 4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.252 -3.453 2.532 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.589 -3.057 2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.034 -1.378 2.607 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.776 1.199 2.500 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.077 -1.211 3.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.645 3.048 2.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.986 1.021 3.739 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.189 3.101 3.354 1.00 0.00 H new ATOM 548 N GLN A 39 8.162 -3.892 4.307 1.00 0.00 N ATOM 549 CA GLN A 39 9.578 -3.882 4.630 1.00 0.00 C ATOM 550 C GLN A 39 10.397 -3.439 3.415 1.00 0.00 C ATOM 551 O GLN A 39 9.838 -3.147 2.359 1.00 0.00 O ATOM 552 CB GLN A 39 10.037 -5.253 5.129 1.00 0.00 C ATOM 553 CG GLN A 39 10.320 -5.223 6.632 1.00 0.00 C ATOM 554 CD GLN A 39 11.789 -4.892 6.907 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.641 -5.761 7.000 1.00 0.00 O ATOM 556 NE2 GLN A 39 12.037 -3.592 7.031 1.00 0.00 N ATOM 0 H GLN A 39 7.927 -4.366 3.435 1.00 0.00 H new ATOM 0 HA GLN A 39 9.741 -3.166 5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.270 -5.997 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.936 -5.557 4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.681 -4.482 7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.073 -6.189 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.277 -2.917 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.987 -3.269 7.215 1.00 0.00 H new ATOM 565 N GLU A 40 11.707 -3.403 3.606 1.00 0.00 N ATOM 566 CA GLU A 40 12.608 -3.000 2.539 1.00 0.00 C ATOM 567 C GLU A 40 12.827 -4.159 1.564 1.00 0.00 C ATOM 568 O GLU A 40 12.898 -5.316 1.975 1.00 0.00 O ATOM 569 CB GLU A 40 13.939 -2.500 3.104 1.00 0.00 C ATOM 570 CG GLU A 40 14.127 -1.008 2.825 1.00 0.00 C ATOM 571 CD GLU A 40 15.355 -0.464 3.558 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.728 -1.083 4.577 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.892 0.560 3.083 1.00 0.00 O ATOM 0 H GLU A 40 12.167 -3.646 4.483 1.00 0.00 H new ATOM 0 HA GLU A 40 12.149 -2.174 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.972 -2.680 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.761 -3.063 2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.238 -0.846 1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.239 -0.461 3.140 1.00 0.00 H new ATOM 580 N PRO A 41 12.932 -3.798 0.257 1.00 0.00 N ATOM 581 CA PRO A 41 13.141 -4.795 -0.780 1.00 0.00 C ATOM 582 C PRO A 41 14.585 -5.302 -0.769 1.00 0.00 C ATOM 583 O PRO A 41 15.480 -4.627 -0.263 1.00 0.00 O ATOM 584 CB PRO A 41 12.767 -4.097 -2.077 1.00 0.00 C ATOM 585 CG PRO A 41 12.808 -2.607 -1.777 1.00 0.00 C ATOM 586 CD PRO A 41 12.853 -2.438 -0.267 1.00 0.00 C ATOM 0 HA PRO A 41 12.533 -5.688 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.465 -4.354 -2.874 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.775 -4.401 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.682 -2.148 -2.239 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.931 -2.110 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.715 -1.845 0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.965 -1.923 0.100 1.00 0.00 H new ATOM 594 N GLY A 42 14.766 -6.487 -1.332 1.00 0.00 N ATOM 595 CA GLY A 42 16.085 -7.093 -1.393 1.00 0.00 C ATOM 596 C GLY A 42 16.837 -6.644 -2.648 1.00 0.00 C ATOM 597 O GLY A 42 18.038 -6.879 -2.774 1.00 0.00 O ATOM 0 H GLY A 42 14.021 -7.044 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.656 -6.820 -0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.991 -8.179 -1.390 1.00 0.00 H new ATOM 601 N GLU A 43 16.099 -6.006 -3.545 1.00 0.00 N ATOM 602 CA GLU A 43 16.681 -5.522 -4.785 1.00 0.00 C ATOM 603 C GLU A 43 16.685 -3.993 -4.808 1.00 0.00 C ATOM 604 O GLU A 43 16.419 -3.383 -5.842 1.00 0.00 O ATOM 605 CB GLU A 43 15.936 -6.086 -5.997 1.00 0.00 C ATOM 606 CG GLU A 43 14.546 -6.589 -5.601 1.00 0.00 C ATOM 607 CD GLU A 43 13.874 -7.316 -6.767 1.00 0.00 C ATOM 608 OE1 GLU A 43 13.732 -6.674 -7.830 1.00 0.00 O ATOM 609 OE2 GLU A 43 13.516 -8.497 -6.569 1.00 0.00 O ATOM 0 H GLU A 43 15.103 -5.813 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 43 17.713 -5.870 -4.839 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.843 -5.315 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.511 -6.902 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.628 -7.262 -4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.927 -5.749 -5.286 1.00 0.00 H new ATOM 616 N LYS A 44 16.990 -3.416 -3.654 1.00 0.00 N ATOM 617 CA LYS A 44 17.033 -1.969 -3.528 1.00 0.00 C ATOM 618 C LYS A 44 17.675 -1.372 -4.782 1.00 0.00 C ATOM 619 O LYS A 44 17.357 -0.249 -5.172 1.00 0.00 O ATOM 620 CB LYS A 44 17.730 -1.565 -2.228 1.00 0.00 C ATOM 621 CG LYS A 44 16.889 -1.957 -1.011 1.00 0.00 C ATOM 622 CD LYS A 44 17.767 -2.125 0.231 1.00 0.00 C ATOM 623 CE LYS A 44 16.916 -2.186 1.500 1.00 0.00 C ATOM 624 NZ LYS A 44 17.284 -3.366 2.315 1.00 0.00 N ATOM 0 H LYS A 44 17.210 -3.925 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 44 16.024 -1.562 -3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.707 -2.046 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.904 -0.489 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.133 -1.194 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.359 -2.888 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.359 -3.036 0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.469 -1.294 0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.056 -1.276 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.860 -2.235 1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.823 -3.303 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.972 -4.233 1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.316 -3.393 2.441 1.00 0.00 H new ATOM 638 N ASN A 45 18.568 -2.148 -5.378 1.00 0.00 N ATOM 639 CA ASN A 45 19.258 -1.710 -6.579 1.00 0.00 C ATOM 640 C ASN A 45 19.797 -0.294 -6.364 1.00 0.00 C ATOM 641 O ASN A 45 20.017 0.443 -7.325 1.00 0.00 O ATOM 642 CB ASN A 45 18.309 -1.677 -7.779 1.00 0.00 C ATOM 643 CG ASN A 45 18.275 -3.033 -8.487 1.00 0.00 C ATOM 644 OD1 ASN A 45 19.140 -3.371 -9.278 1.00 0.00 O ATOM 645 ND2 ASN A 45 17.229 -3.788 -8.161 1.00 0.00 N ATOM 0 H ASN A 45 18.830 -3.078 -5.051 1.00 0.00 H new ATOM 0 HA ASN A 45 20.067 -2.413 -6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 45 17.306 -1.411 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.628 -0.905 -8.479 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.115 -4.711 -8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.541 -3.444 -7.491 1.00 0.00 H new ATOM 652 N GLY A 46 19.994 0.044 -5.099 1.00 0.00 N ATOM 653 CA GLY A 46 20.503 1.359 -4.746 1.00 0.00 C ATOM 654 C GLY A 46 19.981 1.799 -3.376 1.00 0.00 C ATOM 655 O GLY A 46 20.081 1.055 -2.401 1.00 0.00 O ATOM 0 H GLY A 46 19.811 -0.570 -4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.593 1.340 -4.735 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.204 2.084 -5.503 1.00 0.00 H new ATOM 659 N ILE A 47 19.436 3.006 -3.346 1.00 0.00 N ATOM 660 CA ILE A 47 18.898 3.554 -2.113 1.00 0.00 C ATOM 661 C ILE A 47 17.498 4.111 -2.375 1.00 0.00 C ATOM 662 O ILE A 47 17.288 4.847 -3.337 1.00 0.00 O ATOM 663 CB ILE A 47 19.865 4.579 -1.516 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.086 3.888 -0.903 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.153 5.483 -0.508 1.00 0.00 C ATOM 666 CD1 ILE A 47 20.662 2.786 0.069 1.00 0.00 C ATOM 0 H ILE A 47 19.355 3.620 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 47 18.795 2.771 -1.362 1.00 0.00 H new ATOM 0 HB ILE A 47 20.226 5.218 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.703 3.462 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.700 4.622 -0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.863 6.202 -0.099 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.343 6.016 -1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.745 4.876 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.548 2.311 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.066 3.219 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.069 2.041 -0.462 1.00 0.00 H new ATOM 678 N LEU A 48 16.574 3.738 -1.501 1.00 0.00 N ATOM 679 CA LEU A 48 15.199 4.190 -1.626 1.00 0.00 C ATOM 680 C LEU A 48 15.083 5.613 -1.075 1.00 0.00 C ATOM 681 O LEU A 48 15.605 5.911 -0.001 1.00 0.00 O ATOM 682 CB LEU A 48 14.245 3.195 -0.963 1.00 0.00 C ATOM 683 CG LEU A 48 14.614 1.716 -1.104 1.00 0.00 C ATOM 684 CD1 LEU A 48 15.206 1.429 -2.485 1.00 0.00 C ATOM 685 CD2 LEU A 48 15.549 1.275 0.024 1.00 0.00 C ATOM 0 H LEU A 48 16.751 3.128 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 48 14.904 4.228 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.183 3.434 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.249 3.342 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 48 13.702 1.125 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.460 0.372 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.476 1.682 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.105 2.029 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.796 0.221 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 48 16.463 1.868 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.055 1.422 0.984 1.00 0.00 H new ATOM 697 N THR A 49 14.396 6.453 -1.834 1.00 0.00 N ATOM 698 CA THR A 49 14.205 7.837 -1.435 1.00 0.00 C ATOM 699 C THR A 49 12.768 8.062 -0.961 1.00 0.00 C ATOM 700 O THR A 49 12.381 9.188 -0.651 1.00 0.00 O ATOM 701 CB THR A 49 14.602 8.728 -2.614 1.00 0.00 C ATOM 702 OG1 THR A 49 13.758 8.294 -3.677 1.00 0.00 O ATOM 703 CG2 THR A 49 16.016 8.436 -3.118 1.00 0.00 C ATOM 0 H THR A 49 13.964 6.202 -2.724 1.00 0.00 H new ATOM 0 HA THR A 49 14.838 8.095 -0.586 1.00 0.00 H new ATOM 0 HB THR A 49 14.531 9.775 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.948 8.821 -4.481 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.247 9.095 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.731 8.606 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.078 7.398 -3.446 1.00 0.00 H new ATOM 711 N GLY A 50 12.015 6.972 -0.918 1.00 0.00 N ATOM 712 CA GLY A 50 10.629 7.036 -0.486 1.00 0.00 C ATOM 713 C GLY A 50 9.861 5.786 -0.921 1.00 0.00 C ATOM 714 O GLY A 50 10.430 4.888 -1.540 1.00 0.00 O ATOM 0 H GLY A 50 12.339 6.040 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.587 7.134 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.154 7.923 -0.905 1.00 0.00 H new ATOM 718 N TYR A 51 8.582 5.768 -0.579 1.00 0.00 N ATOM 719 CA TYR A 51 7.730 4.643 -0.925 1.00 0.00 C ATOM 720 C TYR A 51 6.340 5.118 -1.353 1.00 0.00 C ATOM 721 O TYR A 51 5.719 5.928 -0.666 1.00 0.00 O ATOM 722 CB TYR A 51 7.600 3.804 0.348 1.00 0.00 C ATOM 723 CG TYR A 51 8.843 2.975 0.676 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.113 1.824 -0.035 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.695 3.379 1.685 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.283 1.043 0.274 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.865 2.598 1.994 1.00 0.00 C ATOM 728 CZ TYR A 51 11.101 1.469 1.274 1.00 0.00 C ATOM 729 OH TYR A 51 12.206 0.732 1.566 1.00 0.00 O ATOM 0 H TYR A 51 8.114 6.515 -0.065 1.00 0.00 H new ATOM 0 HA TYR A 51 8.157 4.080 -1.755 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.386 4.466 1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.746 3.134 0.244 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.446 1.508 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.484 4.280 2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.506 0.140 -0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.540 2.902 2.780 1.00 0.00 H new ATOM 0 HH TYR A 51 12.912 1.321 1.906 1.00 0.00 H new ATOM 739 N ARG A 52 5.893 4.595 -2.485 1.00 0.00 N ATOM 740 CA ARG A 52 4.588 4.956 -3.012 1.00 0.00 C ATOM 741 C ARG A 52 3.554 3.889 -2.646 1.00 0.00 C ATOM 742 O ARG A 52 3.713 2.720 -2.994 1.00 0.00 O ATOM 743 CB ARG A 52 4.633 5.112 -4.534 1.00 0.00 C ATOM 744 CG ARG A 52 3.482 5.991 -5.028 1.00 0.00 C ATOM 745 CD ARG A 52 3.216 5.759 -6.517 1.00 0.00 C ATOM 746 NE ARG A 52 4.389 6.185 -7.313 1.00 0.00 N ATOM 747 CZ ARG A 52 4.363 6.389 -8.637 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.226 6.209 -9.322 1.00 0.00 N ATOM 749 NH2 ARG A 52 5.476 6.775 -9.277 1.00 0.00 N ATOM 0 H ARG A 52 6.411 3.924 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 52 4.303 5.910 -2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.585 5.552 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.575 4.131 -5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.581 5.772 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.722 7.040 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.007 4.705 -6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.333 6.317 -6.828 1.00 0.00 H new ATOM 0 HE ARG A 52 5.272 6.332 -6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.379 5.916 -8.836 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.208 6.365 -10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.342 6.913 -8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.457 6.930 -10.285 1.00 0.00 H new ATOM 763 N ILE A 53 2.518 4.330 -1.949 1.00 0.00 N ATOM 764 CA ILE A 53 1.458 3.427 -1.532 1.00 0.00 C ATOM 765 C ILE A 53 0.153 3.824 -2.226 1.00 0.00 C ATOM 766 O ILE A 53 -0.123 5.009 -2.405 1.00 0.00 O ATOM 767 CB ILE A 53 1.355 3.391 -0.006 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.356 2.326 0.451 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.016 4.773 0.555 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.088 2.433 1.954 1.00 0.00 C ATOM 0 H ILE A 53 2.389 5.300 -1.662 1.00 0.00 H new ATOM 0 HA ILE A 53 1.685 2.406 -1.838 1.00 0.00 H new ATOM 0 HB ILE A 53 2.330 3.112 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.579 2.440 -0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.744 1.335 0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.949 4.718 1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.796 5.481 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.061 5.106 0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.625 1.665 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.021 2.294 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.323 3.417 2.181 1.00 0.00 H new ATOM 782 N SER A 54 -0.613 2.810 -2.599 1.00 0.00 N ATOM 783 CA SER A 54 -1.882 3.037 -3.270 1.00 0.00 C ATOM 784 C SER A 54 -2.894 1.968 -2.853 1.00 0.00 C ATOM 785 O SER A 54 -2.720 0.790 -3.161 1.00 0.00 O ATOM 786 CB SER A 54 -1.708 3.040 -4.790 1.00 0.00 C ATOM 787 OG SER A 54 -0.348 2.853 -5.172 1.00 0.00 O ATOM 0 H SER A 54 -0.379 1.828 -2.449 1.00 0.00 H new ATOM 0 HA SER A 54 -2.256 4.017 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.319 2.250 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.072 3.985 -5.195 1.00 0.00 H new ATOM 0 HG SER A 54 -0.253 1.993 -5.632 1.00 0.00 H new ATOM 793 N TRP A 55 -3.929 2.417 -2.158 1.00 0.00 N ATOM 794 CA TRP A 55 -4.969 1.514 -1.696 1.00 0.00 C ATOM 795 C TRP A 55 -6.183 1.682 -2.612 1.00 0.00 C ATOM 796 O TRP A 55 -6.448 2.779 -3.102 1.00 0.00 O ATOM 797 CB TRP A 55 -5.294 1.761 -0.222 1.00 0.00 C ATOM 798 CG TRP A 55 -5.959 3.111 0.052 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.197 3.503 -0.280 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.368 4.239 0.731 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.446 4.796 0.134 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.299 5.257 0.768 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.090 4.394 1.295 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.050 6.502 1.359 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.857 5.643 1.882 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.783 6.679 1.928 1.00 0.00 C ATOM 0 H TRP A 55 -4.069 3.395 -1.904 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.633 0.479 -1.751 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.950 0.966 0.133 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.373 1.697 0.358 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.910 2.885 -0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.312 5.317 -0.001 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.346 3.611 1.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.795 7.284 1.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.890 5.814 2.331 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.526 7.616 2.400 1.00 0.00 H new ATOM 817 N GLU A 56 -6.888 0.579 -2.815 1.00 0.00 N ATOM 818 CA GLU A 56 -8.067 0.590 -3.664 1.00 0.00 C ATOM 819 C GLU A 56 -8.856 -0.710 -3.494 1.00 0.00 C ATOM 820 O GLU A 56 -8.326 -1.701 -2.994 1.00 0.00 O ATOM 821 CB GLU A 56 -7.687 0.813 -5.129 1.00 0.00 C ATOM 822 CG GLU A 56 -7.154 -0.475 -5.759 1.00 0.00 C ATOM 823 CD GLU A 56 -6.878 -0.282 -7.252 1.00 0.00 C ATOM 824 OE1 GLU A 56 -5.842 0.345 -7.561 1.00 0.00 O ATOM 825 OE2 GLU A 56 -7.710 -0.765 -8.049 1.00 0.00 O ATOM 0 H GLU A 56 -6.665 -0.329 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.703 1.421 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.557 1.161 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.931 1.595 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.238 -0.780 -5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.877 -1.278 -5.620 1.00 0.00 H new ATOM 832 N GLU A 57 -10.110 -0.663 -3.919 1.00 0.00 N ATOM 833 CA GLU A 57 -10.977 -1.825 -3.821 1.00 0.00 C ATOM 834 C GLU A 57 -10.353 -3.017 -4.550 1.00 0.00 C ATOM 835 O GLU A 57 -9.307 -2.883 -5.183 1.00 0.00 O ATOM 836 CB GLU A 57 -12.372 -1.516 -4.368 1.00 0.00 C ATOM 837 CG GLU A 57 -13.336 -1.152 -3.238 1.00 0.00 C ATOM 838 CD GLU A 57 -14.310 -2.298 -2.957 1.00 0.00 C ATOM 839 OE1 GLU A 57 -13.824 -3.445 -2.861 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.519 -2.001 -2.845 1.00 0.00 O ATOM 0 H GLU A 57 -10.546 0.161 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.085 -2.085 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.313 -0.693 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.753 -2.381 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.772 -0.920 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.893 -0.254 -3.506 1.00 0.00 H new ATOM 847 N TYR A 58 -11.021 -4.155 -4.436 1.00 0.00 N ATOM 848 CA TYR A 58 -10.545 -5.369 -5.077 1.00 0.00 C ATOM 849 C TYR A 58 -10.317 -5.146 -6.573 1.00 0.00 C ATOM 850 O TYR A 58 -9.196 -5.282 -7.061 1.00 0.00 O ATOM 851 CB TYR A 58 -11.655 -6.407 -4.892 1.00 0.00 C ATOM 852 CG TYR A 58 -11.546 -7.608 -5.832 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.416 -8.400 -5.812 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.579 -7.901 -6.700 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.314 -9.532 -6.697 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.476 -9.032 -7.585 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.349 -9.792 -7.540 1.00 0.00 C ATOM 858 OH TYR A 58 -11.253 -10.860 -8.376 1.00 0.00 O ATOM 0 H TYR A 58 -11.888 -4.262 -3.909 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.598 -5.687 -4.641 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.638 -6.762 -3.862 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.620 -5.924 -5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.608 -8.171 -5.133 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.464 -7.282 -6.715 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.435 -10.160 -6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.276 -9.272 -8.270 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.066 -10.924 -8.919 1.00 0.00 H new ATOM 868 N ASN A 59 -11.398 -4.808 -7.261 1.00 0.00 N ATOM 869 CA ASN A 59 -11.329 -4.565 -8.692 1.00 0.00 C ATOM 870 C ASN A 59 -12.003 -3.229 -9.010 1.00 0.00 C ATOM 871 O ASN A 59 -12.982 -3.185 -9.754 1.00 0.00 O ATOM 872 CB ASN A 59 -12.059 -5.661 -9.472 1.00 0.00 C ATOM 873 CG ASN A 59 -13.516 -5.780 -9.018 1.00 0.00 C ATOM 874 OD1 ASN A 59 -13.955 -5.136 -8.079 1.00 0.00 O ATOM 875 ND2 ASN A 59 -14.237 -6.636 -9.735 1.00 0.00 N ATOM 0 H ASN A 59 -12.327 -4.697 -6.854 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.279 -4.554 -8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.024 -5.438 -10.538 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.551 -6.614 -9.329 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.221 -6.786 -9.512 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.806 -7.143 -10.508 1.00 0.00 H new ATOM 882 N ARG A 60 -11.452 -2.172 -8.432 1.00 0.00 N ATOM 883 CA ARG A 60 -11.987 -0.838 -8.645 1.00 0.00 C ATOM 884 C ARG A 60 -10.907 0.214 -8.387 1.00 0.00 C ATOM 885 O ARG A 60 -10.686 0.616 -7.246 1.00 0.00 O ATOM 886 CB ARG A 60 -13.180 -0.570 -7.726 1.00 0.00 C ATOM 887 CG ARG A 60 -13.858 -1.878 -7.311 1.00 0.00 C ATOM 888 CD ARG A 60 -14.946 -1.624 -6.266 1.00 0.00 C ATOM 889 NE ARG A 60 -16.247 -2.130 -6.756 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.430 -1.805 -6.218 1.00 0.00 C ATOM 891 NH1 ARG A 60 -17.484 -0.973 -5.169 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.561 -2.311 -6.729 1.00 0.00 N ATOM 0 H ARG A 60 -10.640 -2.212 -7.816 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.320 -0.776 -9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.846 -0.032 -6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.899 0.071 -8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.295 -2.359 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.114 -2.565 -6.907 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.684 -2.117 -5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.018 -0.557 -6.056 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.243 -2.766 -7.553 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.624 -0.587 -4.780 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -18.385 -0.726 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.521 -2.944 -7.528 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.461 -2.063 -6.319 1.00 0.00 H new ATOM 906 N THR A 61 -10.262 0.631 -9.467 1.00 0.00 N ATOM 907 CA THR A 61 -9.210 1.629 -9.373 1.00 0.00 C ATOM 908 C THR A 61 -9.801 2.994 -9.013 1.00 0.00 C ATOM 909 O THR A 61 -9.111 3.846 -8.456 1.00 0.00 O ATOM 910 CB THR A 61 -8.439 1.629 -10.694 1.00 0.00 C ATOM 911 OG1 THR A 61 -7.809 0.352 -10.728 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.272 2.620 -10.690 1.00 0.00 C ATOM 0 H THR A 61 -10.448 0.296 -10.412 1.00 0.00 H new ATOM 0 HA THR A 61 -8.510 1.392 -8.572 1.00 0.00 H new ATOM 0 HB THR A 61 -9.119 1.871 -11.511 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.776 -0.021 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.758 2.581 -11.650 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.651 3.628 -10.523 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.575 2.358 -9.894 1.00 0.00 H new ATOM 920 N ASN A 62 -11.073 3.159 -9.347 1.00 0.00 N ATOM 921 CA ASN A 62 -11.764 4.405 -9.067 1.00 0.00 C ATOM 922 C ASN A 62 -11.505 4.813 -7.616 1.00 0.00 C ATOM 923 O ASN A 62 -11.342 5.995 -7.318 1.00 0.00 O ATOM 924 CB ASN A 62 -13.275 4.251 -9.252 1.00 0.00 C ATOM 925 CG ASN A 62 -14.027 5.429 -8.630 1.00 0.00 C ATOM 926 OD1 ASN A 62 -14.462 5.389 -7.490 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.155 6.477 -9.439 1.00 0.00 N ATOM 0 H ASN A 62 -11.642 2.450 -9.809 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.391 5.160 -9.759 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.510 4.185 -10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.608 3.320 -8.794 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.641 7.314 -9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.767 6.444 -10.382 1.00 0.00 H new ATOM 934 N THR A 63 -11.474 3.810 -6.750 1.00 0.00 N ATOM 935 CA THR A 63 -11.237 4.049 -5.336 1.00 0.00 C ATOM 936 C THR A 63 -9.749 3.900 -5.012 1.00 0.00 C ATOM 937 O THR A 63 -9.389 3.401 -3.948 1.00 0.00 O ATOM 938 CB THR A 63 -12.131 3.097 -4.539 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.431 1.856 -4.570 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.451 2.798 -5.253 1.00 0.00 C ATOM 0 H THR A 63 -11.609 2.830 -7.000 1.00 0.00 H new ATOM 0 HA THR A 63 -11.497 5.071 -5.059 1.00 0.00 H new ATOM 0 HB THR A 63 -12.338 3.528 -3.559 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.283 1.587 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.048 2.118 -4.645 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.001 3.727 -5.405 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.246 2.336 -6.219 1.00 0.00 H new ATOM 948 N ARG A 64 -8.925 4.342 -5.951 1.00 0.00 N ATOM 949 CA ARG A 64 -7.484 4.264 -5.779 1.00 0.00 C ATOM 950 C ARG A 64 -6.921 5.632 -5.388 1.00 0.00 C ATOM 951 O ARG A 64 -7.357 6.658 -5.908 1.00 0.00 O ATOM 952 CB ARG A 64 -6.801 3.787 -7.062 1.00 0.00 C ATOM 953 CG ARG A 64 -5.328 3.458 -6.810 1.00 0.00 C ATOM 954 CD ARG A 64 -4.421 4.242 -7.760 1.00 0.00 C ATOM 955 NE ARG A 64 -3.076 3.626 -7.799 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.759 2.561 -8.547 1.00 0.00 C ATOM 957 NH1 ARG A 64 -3.688 1.987 -9.323 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.512 2.070 -8.520 1.00 0.00 N ATOM 0 H ARG A 64 -9.228 4.755 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.284 3.544 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.314 2.905 -7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.879 4.558 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.070 3.694 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.163 2.389 -6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.853 4.255 -8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.346 5.279 -7.432 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.344 4.038 -7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.637 2.361 -9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.447 1.176 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.804 2.507 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.271 1.259 -9.090 1.00 0.00 H new ATOM 972 N VAL A 65 -5.962 5.603 -4.475 1.00 0.00 N ATOM 973 CA VAL A 65 -5.335 6.828 -4.008 1.00 0.00 C ATOM 974 C VAL A 65 -3.825 6.745 -4.246 1.00 0.00 C ATOM 975 O VAL A 65 -3.277 5.656 -4.407 1.00 0.00 O ATOM 976 CB VAL A 65 -5.697 7.076 -2.543 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.999 6.067 -1.627 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.365 8.511 -2.131 1.00 0.00 C ATOM 0 H VAL A 65 -5.603 4.750 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.706 7.685 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.773 6.938 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.273 6.266 -0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.307 5.057 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.919 6.159 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.632 8.660 -1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.298 8.689 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.928 9.207 -2.752 1.00 0.00 H new ATOM 988 N THR A 66 -3.197 7.911 -4.260 1.00 0.00 N ATOM 989 CA THR A 66 -1.761 7.985 -4.474 1.00 0.00 C ATOM 990 C THR A 66 -1.095 8.785 -3.354 1.00 0.00 C ATOM 991 O THR A 66 -1.236 10.005 -3.288 1.00 0.00 O ATOM 992 CB THR A 66 -1.521 8.573 -5.866 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.128 7.633 -6.749 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.043 8.556 -6.262 1.00 0.00 C ATOM 0 H THR A 66 -3.656 8.812 -4.127 1.00 0.00 H new ATOM 0 HA THR A 66 -1.304 6.996 -4.439 1.00 0.00 H new ATOM 0 HB THR A 66 -1.893 9.597 -5.897 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.021 7.937 -7.674 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.072 8.984 -7.258 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.532 9.143 -5.546 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.321 7.529 -6.265 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.382 8.066 -2.499 1.00 0.00 N ATOM 1003 CA HIS A 67 0.307 8.693 -1.385 1.00 0.00 C ATOM 1004 C HIS A 67 1.817 8.503 -1.542 1.00 0.00 C ATOM 1005 O HIS A 67 2.262 7.599 -2.247 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.222 8.162 -0.051 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.307 9.014 0.563 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.392 8.670 1.314 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.345 10.391 0.429 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.057 9.776 1.623 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -2.410 10.844 1.075 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.267 7.054 -2.556 1.00 0.00 H new ATOM 0 HA HIS A 67 0.109 9.765 -1.387 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.607 7.153 -0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.607 8.086 0.652 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.649 7.723 1.591 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.629 10.994 -0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.961 9.823 2.211 1.00 0.00 H new ATOM 1019 N TYR A 68 2.563 9.371 -0.874 1.00 0.00 N ATOM 1020 CA TYR A 68 4.013 9.310 -0.930 1.00 0.00 C ATOM 1021 C TYR A 68 4.620 9.378 0.472 1.00 0.00 C ATOM 1022 O TYR A 68 4.292 10.271 1.252 1.00 0.00 O ATOM 1023 CB TYR A 68 4.456 10.540 -1.725 1.00 0.00 C ATOM 1024 CG TYR A 68 4.168 10.449 -3.225 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.812 9.502 -3.995 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.264 11.314 -3.808 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.541 9.416 -5.407 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.993 11.228 -5.219 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.645 10.283 -5.949 1.00 0.00 C ATOM 1030 OH TYR A 68 3.389 10.202 -7.282 1.00 0.00 O ATOM 0 H TYR A 68 2.190 10.120 -0.291 1.00 0.00 H new ATOM 0 HA TYR A 68 4.340 8.376 -1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.955 11.420 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.526 10.688 -1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.519 8.825 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.760 12.055 -3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.038 8.680 -6.021 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.288 11.899 -5.688 1.00 0.00 H new ATOM 0 HH TYR A 68 2.728 10.882 -7.530 1.00 0.00 H new ATOM 1040 N LEU A 69 5.496 8.423 0.751 1.00 0.00 N ATOM 1041 CA LEU A 69 6.151 8.364 2.046 1.00 0.00 C ATOM 1042 C LEU A 69 7.668 8.378 1.846 1.00 0.00 C ATOM 1043 O LEU A 69 8.157 8.086 0.756 1.00 0.00 O ATOM 1044 CB LEU A 69 5.648 7.161 2.847 1.00 0.00 C ATOM 1045 CG LEU A 69 4.153 6.858 2.733 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.868 5.385 3.033 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.334 7.793 3.625 1.00 0.00 C ATOM 0 H LEU A 69 5.767 7.684 0.102 1.00 0.00 H new ATOM 0 HA LEU A 69 5.899 9.242 2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.203 6.279 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.887 7.324 3.898 1.00 0.00 H new ATOM 0 HG LEU A 69 3.845 7.043 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.798 5.196 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.407 4.758 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.196 5.150 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.275 7.556 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.638 7.664 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.505 8.826 3.323 1.00 0.00 H new ATOM 1059 N PRO A 70 8.389 8.730 2.944 1.00 0.00 N ATOM 1060 CA PRO A 70 9.841 8.787 2.899 1.00 0.00 C ATOM 1061 C PRO A 70 10.445 7.381 2.911 1.00 0.00 C ATOM 1062 O PRO A 70 9.722 6.392 3.018 1.00 0.00 O ATOM 1063 CB PRO A 70 10.239 9.614 4.110 1.00 0.00 C ATOM 1064 CG PRO A 70 9.037 9.598 5.040 1.00 0.00 C ATOM 1065 CD PRO A 70 7.845 9.083 4.252 1.00 0.00 C ATOM 0 HA PRO A 70 10.216 9.241 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.117 9.192 4.599 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.495 10.633 3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.230 8.959 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.838 10.599 5.423 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.392 8.219 4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.069 9.844 4.166 1.00 0.00 H new ATOM 1073 N ASN A 71 11.764 7.338 2.799 1.00 0.00 N ATOM 1074 CA ASN A 71 12.474 6.069 2.795 1.00 0.00 C ATOM 1075 C ASN A 71 12.749 5.640 4.238 1.00 0.00 C ATOM 1076 O ASN A 71 13.621 4.808 4.486 1.00 0.00 O ATOM 1077 CB ASN A 71 13.817 6.192 2.074 1.00 0.00 C ATOM 1078 CG ASN A 71 14.825 6.973 2.921 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.509 7.973 3.543 1.00 0.00 O ATOM 1080 ND2 ASN A 71 16.052 6.461 2.909 1.00 0.00 N ATOM 0 H ASN A 71 12.360 8.161 2.710 1.00 0.00 H new ATOM 0 HA ASN A 71 11.854 5.336 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.210 5.199 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.675 6.693 1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.797 6.909 3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.248 5.620 2.366 1.00 0.00 H new ATOM 1087 N VAL A 72 11.989 6.226 5.151 1.00 0.00 N ATOM 1088 CA VAL A 72 12.140 5.914 6.563 1.00 0.00 C ATOM 1089 C VAL A 72 10.873 5.221 7.066 1.00 0.00 C ATOM 1090 O VAL A 72 10.907 4.508 8.068 1.00 0.00 O ATOM 1091 CB VAL A 72 12.478 7.184 7.346 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.664 7.918 6.716 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.259 8.103 7.453 1.00 0.00 C ATOM 0 H VAL A 72 11.267 6.915 4.941 1.00 0.00 H new ATOM 0 HA VAL A 72 12.970 5.224 6.715 1.00 0.00 H new ATOM 0 HB VAL A 72 12.765 6.888 8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.883 8.817 7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.537 7.265 6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.418 8.195 5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.526 8.998 8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.928 8.386 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.453 7.580 7.967 1.00 0.00 H new ATOM 1103 N THR A 73 9.784 5.453 6.347 1.00 0.00 N ATOM 1104 CA THR A 73 8.508 4.860 6.708 1.00 0.00 C ATOM 1105 C THR A 73 8.195 3.672 5.796 1.00 0.00 C ATOM 1106 O THR A 73 8.493 3.705 4.603 1.00 0.00 O ATOM 1107 CB THR A 73 7.445 5.959 6.660 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.678 6.719 7.843 1.00 0.00 O ATOM 1109 CG2 THR A 73 6.028 5.412 6.842 1.00 0.00 C ATOM 0 H THR A 73 9.760 6.044 5.516 1.00 0.00 H new ATOM 0 HA THR A 73 8.532 4.455 7.720 1.00 0.00 H new ATOM 0 HB THR A 73 7.511 6.486 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.033 7.455 7.891 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.313 6.233 6.800 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.809 4.698 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.952 4.914 7.808 1.00 0.00 H new ATOM 1117 N LEU A 74 7.598 2.650 6.393 1.00 0.00 N ATOM 1118 CA LEU A 74 7.242 1.454 5.649 1.00 0.00 C ATOM 1119 C LEU A 74 5.830 1.015 6.045 1.00 0.00 C ATOM 1120 O LEU A 74 5.395 -0.080 5.690 1.00 0.00 O ATOM 1121 CB LEU A 74 8.301 0.367 5.843 1.00 0.00 C ATOM 1122 CG LEU A 74 9.751 0.849 5.912 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.553 0.031 6.927 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.400 0.837 4.526 1.00 0.00 C ATOM 0 H LEU A 74 7.352 2.626 7.383 1.00 0.00 H new ATOM 0 HA LEU A 74 7.224 1.661 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.074 -0.173 6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.215 -0.347 5.024 1.00 0.00 H new ATOM 0 HG LEU A 74 9.751 1.882 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.580 0.394 6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.103 0.134 7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.547 -1.019 6.634 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.430 1.184 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.388 -0.177 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.845 1.496 3.858 1.00 0.00 H new ATOM 1136 N GLU A 75 5.155 1.891 6.773 1.00 0.00 N ATOM 1137 CA GLU A 75 3.802 1.607 7.221 1.00 0.00 C ATOM 1138 C GLU A 75 2.949 2.877 7.171 1.00 0.00 C ATOM 1139 O GLU A 75 3.463 3.981 7.343 1.00 0.00 O ATOM 1140 CB GLU A 75 3.804 1.003 8.626 1.00 0.00 C ATOM 1141 CG GLU A 75 4.153 2.059 9.677 1.00 0.00 C ATOM 1142 CD GLU A 75 5.507 1.763 10.324 1.00 0.00 C ATOM 1143 OE1 GLU A 75 6.523 1.922 9.612 1.00 0.00 O ATOM 1144 OE2 GLU A 75 5.497 1.385 11.515 1.00 0.00 O ATOM 0 H GLU A 75 5.519 2.798 7.064 1.00 0.00 H new ATOM 0 HA GLU A 75 3.364 0.871 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.824 0.578 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.524 0.186 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.176 3.045 9.213 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.378 2.085 10.443 1.00 0.00 H new ATOM 1151 N TYR A 76 1.661 2.677 6.936 1.00 0.00 N ATOM 1152 CA TYR A 76 0.732 3.792 6.862 1.00 0.00 C ATOM 1153 C TYR A 76 -0.701 3.332 7.140 1.00 0.00 C ATOM 1154 O TYR A 76 -1.038 2.170 6.916 1.00 0.00 O ATOM 1155 CB TYR A 76 0.816 4.316 5.427 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.095 5.513 5.147 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.408 5.308 4.776 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.397 6.797 5.266 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.266 6.435 4.513 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.461 7.924 5.002 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.750 7.687 4.639 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.560 8.751 4.390 1.00 0.00 O ATOM 0 H TYR A 76 1.238 1.760 6.794 1.00 0.00 H new ATOM 0 HA TYR A 76 0.986 4.552 7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.847 4.600 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.559 3.509 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.792 4.303 4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.425 6.957 5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.296 6.289 4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.089 8.934 5.090 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.057 9.582 4.520 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.505 4.266 7.625 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.893 3.972 7.936 1.00 0.00 C ATOM 1174 C ARG A 77 -3.797 4.387 6.775 1.00 0.00 C ATOM 1175 O ARG A 77 -3.757 5.534 6.331 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.339 4.699 9.206 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.860 4.645 9.364 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.260 4.673 10.840 1.00 0.00 C ATOM 1179 NE ARG A 77 -5.615 6.052 11.242 1.00 0.00 N ATOM 1180 CZ ARG A 77 -5.576 6.500 12.504 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -5.197 5.681 13.495 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -5.916 7.768 12.776 1.00 0.00 N ATOM 0 H ARG A 77 -1.221 5.228 7.810 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.975 2.897 8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.863 4.245 10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.010 5.738 9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.313 5.490 8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.246 3.739 8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.106 4.007 11.009 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.438 4.306 11.455 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.908 6.702 10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.938 4.716 13.288 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.167 6.022 14.456 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.204 8.392 12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.886 8.109 13.737 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.593 3.432 6.315 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.506 3.685 5.213 1.00 0.00 C ATOM 1198 C VAL A 78 -6.890 4.022 5.771 1.00 0.00 C ATOM 1199 O VAL A 78 -7.281 3.513 6.820 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.520 2.487 4.261 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.473 2.731 3.088 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.110 2.165 3.763 1.00 0.00 C ATOM 0 H VAL A 78 -4.624 2.482 6.685 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.173 4.543 4.629 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.884 1.622 4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.465 1.865 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.483 2.889 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.151 3.613 2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.149 1.310 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.706 3.027 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.469 1.928 4.612 1.00 0.00 H new ATOM 1212 N THR A 79 -7.593 4.878 5.044 1.00 0.00 N ATOM 1213 CA THR A 79 -8.925 5.289 5.452 1.00 0.00 C ATOM 1214 C THR A 79 -9.749 5.716 4.236 1.00 0.00 C ATOM 1215 O THR A 79 -9.210 6.275 3.282 1.00 0.00 O ATOM 1216 CB THR A 79 -8.778 6.391 6.503 1.00 0.00 C ATOM 1217 OG1 THR A 79 -8.043 7.413 5.835 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.871 5.977 7.663 1.00 0.00 C ATOM 0 H THR A 79 -7.265 5.298 4.174 1.00 0.00 H new ATOM 0 HA THR A 79 -9.473 4.461 5.901 1.00 0.00 H new ATOM 0 HB THR A 79 -9.762 6.657 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.904 8.168 6.445 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.801 6.795 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.288 5.098 8.155 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.877 5.742 7.282 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.042 5.436 4.308 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.945 5.784 3.225 1.00 0.00 C ATOM 1228 C GLY A 80 -12.310 4.549 2.397 1.00 0.00 C ATOM 1229 O GLY A 80 -12.677 4.667 1.229 1.00 0.00 O ATOM 0 H GLY A 80 -11.486 4.972 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.850 6.234 3.632 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.478 6.531 2.583 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.195 3.394 3.035 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.508 2.139 2.373 1.00 0.00 C ATOM 1235 C LEU A 81 -14.003 1.848 2.522 1.00 0.00 C ATOM 1236 O LEU A 81 -14.826 2.759 2.455 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.608 1.018 2.896 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.176 1.420 3.256 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.482 0.317 4.058 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.384 1.803 2.004 1.00 0.00 C ATOM 0 H LEU A 81 -11.889 3.301 4.004 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.301 2.210 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.076 0.586 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.565 0.232 2.142 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.219 2.303 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.466 0.628 4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.035 0.134 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.450 -0.598 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.370 2.085 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.348 0.953 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.870 2.644 1.510 1.00 0.00 H new ATOM 1252 N THR A 82 -14.308 0.574 2.721 1.00 0.00 N ATOM 1253 CA THR A 82 -15.689 0.151 2.880 1.00 0.00 C ATOM 1254 C THR A 82 -15.777 -1.027 3.852 1.00 0.00 C ATOM 1255 O THR A 82 -14.829 -1.799 3.986 1.00 0.00 O ATOM 1256 CB THR A 82 -16.250 -0.163 1.492 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.789 0.913 0.680 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.774 -0.046 1.436 1.00 0.00 C ATOM 0 H THR A 82 -13.622 -0.179 2.776 1.00 0.00 H new ATOM 0 HA THR A 82 -16.297 0.941 3.321 1.00 0.00 H new ATOM 0 HB THR A 82 -15.953 -1.170 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.977 0.639 0.204 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.120 -0.279 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 82 -18.219 -0.746 2.144 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.071 0.970 1.695 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.925 -1.129 4.506 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.150 -2.200 5.462 1.00 0.00 C ATOM 1268 C ALA A 83 -17.240 -3.532 4.716 1.00 0.00 C ATOM 1269 O ALA A 83 -17.857 -3.614 3.655 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.410 -1.901 6.277 1.00 0.00 C ATOM 0 H ALA A 83 -17.710 -0.487 4.393 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.318 -2.270 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.579 -2.704 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.283 -0.959 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.267 -1.826 5.608 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.615 -4.545 5.300 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.617 -5.870 4.704 1.00 0.00 C ATOM 1278 C LEU A 84 -16.424 -5.744 3.192 1.00 0.00 C ATOM 1279 O LEU A 84 -17.269 -6.186 2.415 1.00 0.00 O ATOM 1280 CB LEU A 84 -17.882 -6.634 5.101 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.103 -6.832 6.602 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.250 -7.810 6.863 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.810 -7.269 7.293 1.00 0.00 C ATOM 0 H LEU A 84 -16.104 -4.474 6.180 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.783 -6.460 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.744 -6.106 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.855 -7.614 4.626 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.392 -5.874 7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.386 -7.933 7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.168 -7.420 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.014 -8.775 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -16.994 -7.403 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.468 -8.210 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.045 -6.506 7.150 1.00 0.00 H new ATOM 1295 N THR A 85 -15.306 -5.139 2.819 1.00 0.00 N ATOM 1296 CA THR A 85 -14.990 -4.950 1.413 1.00 0.00 C ATOM 1297 C THR A 85 -13.546 -5.368 1.129 1.00 0.00 C ATOM 1298 O THR A 85 -12.652 -5.110 1.934 1.00 0.00 O ATOM 1299 CB THR A 85 -15.282 -3.492 1.055 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.695 -3.456 0.869 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.717 -3.099 -0.311 1.00 0.00 C ATOM 0 H THR A 85 -14.607 -4.773 3.466 1.00 0.00 H new ATOM 0 HA THR A 85 -15.609 -5.586 0.780 1.00 0.00 H new ATOM 0 HB THR A 85 -14.864 -2.840 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.141 -3.506 1.740 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.953 -2.055 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.635 -3.233 -0.310 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.160 -3.729 -1.083 1.00 0.00 H new ATOM 1309 N THR A 86 -13.362 -6.005 -0.018 1.00 0.00 N ATOM 1310 CA THR A 86 -12.042 -6.461 -0.417 1.00 0.00 C ATOM 1311 C THR A 86 -11.253 -5.315 -1.055 1.00 0.00 C ATOM 1312 O THR A 86 -11.682 -4.742 -2.055 1.00 0.00 O ATOM 1313 CB THR A 86 -12.218 -7.666 -1.343 1.00 0.00 C ATOM 1314 OG1 THR A 86 -12.956 -8.600 -0.560 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.896 -8.382 -1.630 1.00 0.00 C ATOM 0 H THR A 86 -14.105 -6.216 -0.684 1.00 0.00 H new ATOM 0 HA THR A 86 -11.455 -6.778 0.445 1.00 0.00 H new ATOM 0 HB THR A 86 -12.665 -7.340 -2.282 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.116 -9.412 -1.085 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.077 -9.229 -2.292 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.204 -7.689 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.464 -8.738 -0.695 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.113 -5.016 -0.449 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.260 -3.949 -0.945 1.00 0.00 C ATOM 1325 C TYR A 87 -7.837 -4.455 -1.192 1.00 0.00 C ATOM 1326 O TYR A 87 -7.397 -5.414 -0.560 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.227 -2.889 0.157 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.363 -1.867 0.072 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -11.573 -2.129 0.682 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -10.178 -0.685 -0.615 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -12.643 -1.168 0.602 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -11.248 0.276 -0.695 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.427 -0.013 -0.083 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.437 0.895 -0.158 1.00 0.00 O ATOM 0 H TYR A 87 -9.760 -5.494 0.380 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.642 -3.559 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.271 -3.386 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.274 -2.362 0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -11.718 -3.055 1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -9.231 -0.480 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -13.595 -1.360 1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -11.117 1.205 -1.229 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.108 1.717 -0.579 1.00 0.00 H new ATOM 1344 N THR A 88 -7.158 -3.787 -2.114 1.00 0.00 N ATOM 1345 CA THR A 88 -5.794 -4.157 -2.452 1.00 0.00 C ATOM 1346 C THR A 88 -4.846 -2.981 -2.208 1.00 0.00 C ATOM 1347 O THR A 88 -4.997 -1.922 -2.815 1.00 0.00 O ATOM 1348 CB THR A 88 -5.784 -4.656 -3.899 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.734 -6.074 -3.777 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.490 -4.299 -4.632 1.00 0.00 C ATOM 0 H THR A 88 -7.527 -2.993 -2.637 1.00 0.00 H new ATOM 0 HA THR A 88 -5.433 -4.963 -1.813 1.00 0.00 H new ATOM 0 HB THR A 88 -6.633 -4.232 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.726 -6.479 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.535 -4.676 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.369 -3.216 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.643 -4.750 -4.116 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.890 -3.207 -1.319 1.00 0.00 N ATOM 1359 CA ILE A 89 -2.918 -2.179 -0.988 1.00 0.00 C ATOM 1360 C ILE A 89 -1.609 -2.465 -1.726 1.00 0.00 C ATOM 1361 O ILE A 89 -0.985 -3.503 -1.512 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.756 -2.064 0.529 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.115 -2.114 1.231 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -1.965 -0.809 0.902 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.152 -1.277 0.479 1.00 0.00 C ATOM 0 H ILE A 89 -3.768 -4.087 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.267 -1.202 -1.323 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.182 -2.922 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.456 -3.147 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.015 -1.744 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.864 -0.751 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.975 -0.854 0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.491 0.074 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.109 -1.330 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.820 -0.240 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.267 -1.664 -0.533 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.231 -1.525 -2.580 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.007 -1.663 -3.351 1.00 0.00 C ATOM 1379 C GLU A 90 1.091 -0.770 -2.769 1.00 0.00 C ATOM 1380 O GLU A 90 0.935 0.448 -2.702 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.250 -1.341 -4.827 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.562 -1.957 -5.314 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.568 -0.871 -5.701 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.104 0.191 -6.169 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.778 -1.127 -5.521 1.00 0.00 O ATOM 0 H GLU A 90 -1.751 -0.665 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 90 0.324 -2.700 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.277 -0.260 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.578 -1.719 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.369 -2.601 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.985 -2.587 -4.531 1.00 0.00 H new ATOM 1392 N VAL A 91 2.176 -1.411 -2.362 1.00 0.00 N ATOM 1393 CA VAL A 91 3.300 -0.691 -1.787 1.00 0.00 C ATOM 1394 C VAL A 91 4.508 -0.813 -2.717 1.00 0.00 C ATOM 1395 O VAL A 91 5.000 -1.913 -2.962 1.00 0.00 O ATOM 1396 CB VAL A 91 3.580 -1.202 -0.372 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.839 -0.552 0.206 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.376 -0.974 0.543 1.00 0.00 C ATOM 0 H VAL A 91 2.301 -2.422 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 91 3.067 0.370 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 91 3.755 -2.276 -0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.016 -0.932 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.694 -0.789 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.705 0.529 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.603 -1.346 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.155 0.092 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.511 -1.505 0.145 1.00 0.00 H new ATOM 1408 N ALA A 92 4.952 0.334 -3.211 1.00 0.00 N ATOM 1409 CA ALA A 92 6.093 0.370 -4.109 1.00 0.00 C ATOM 1410 C ALA A 92 7.203 1.217 -3.484 1.00 0.00 C ATOM 1411 O ALA A 92 6.941 2.041 -2.608 1.00 0.00 O ATOM 1412 CB ALA A 92 5.653 0.902 -5.474 1.00 0.00 C ATOM 0 H ALA A 92 4.542 1.245 -3.006 1.00 0.00 H new ATOM 0 HA ALA A 92 6.491 -0.633 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.510 0.929 -6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.886 0.249 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.250 1.908 -5.360 1.00 0.00 H new ATOM 1418 N ALA A 93 8.419 0.986 -3.957 1.00 0.00 N ATOM 1419 CA ALA A 93 9.569 1.718 -3.455 1.00 0.00 C ATOM 1420 C ALA A 93 9.907 2.854 -4.423 1.00 0.00 C ATOM 1421 O ALA A 93 9.390 2.899 -5.538 1.00 0.00 O ATOM 1422 CB ALA A 93 10.740 0.755 -3.255 1.00 0.00 C ATOM 0 H ALA A 93 8.633 0.302 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 93 9.346 2.165 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.603 1.305 -2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.459 -0.016 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.994 0.289 -4.207 1.00 0.00 H new ATOM 1428 N MET A 94 10.773 3.744 -3.960 1.00 0.00 N ATOM 1429 CA MET A 94 11.186 4.877 -4.771 1.00 0.00 C ATOM 1430 C MET A 94 12.686 5.140 -4.622 1.00 0.00 C ATOM 1431 O MET A 94 13.210 5.154 -3.509 1.00 0.00 O ATOM 1432 CB MET A 94 10.405 6.122 -4.345 1.00 0.00 C ATOM 1433 CG MET A 94 8.943 6.029 -4.785 1.00 0.00 C ATOM 1434 SD MET A 94 8.160 7.627 -4.645 1.00 0.00 S ATOM 1435 CE MET A 94 7.945 7.713 -2.875 1.00 0.00 C ATOM 0 H MET A 94 11.200 3.703 -3.034 1.00 0.00 H new ATOM 0 HA MET A 94 10.978 4.647 -5.816 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.456 6.235 -3.262 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.864 7.010 -4.780 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.886 5.676 -5.815 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.415 5.301 -4.169 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.883 7.791 -2.641 1.00 0.00 H new ATOM 0 HE2 MET A 94 8.353 6.813 -2.415 1.00 0.00 H new ATOM 0 HE3 MET A 94 8.467 8.588 -2.487 1.00 0.00 H new ATOM 1445 N THR A 95 13.335 5.340 -5.760 1.00 0.00 N ATOM 1446 CA THR A 95 14.765 5.601 -5.770 1.00 0.00 C ATOM 1447 C THR A 95 15.053 6.966 -6.398 1.00 0.00 C ATOM 1448 O THR A 95 14.143 7.774 -6.582 1.00 0.00 O ATOM 1449 CB THR A 95 15.452 4.442 -6.494 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.504 4.037 -7.478 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.614 3.209 -5.602 1.00 0.00 C ATOM 0 H THR A 95 12.897 5.327 -6.681 1.00 0.00 H new ATOM 0 HA THR A 95 15.165 5.653 -4.757 1.00 0.00 H new ATOM 0 HB THR A 95 16.431 4.764 -6.849 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.976 3.675 -8.257 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.107 2.416 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.218 3.466 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.633 2.866 -5.274 1.00 0.00 H new ATOM 1459 N SER A 96 16.322 7.182 -6.710 1.00 0.00 N ATOM 1460 CA SER A 96 16.742 8.435 -7.314 1.00 0.00 C ATOM 1461 C SER A 96 16.483 8.402 -8.822 1.00 0.00 C ATOM 1462 O SER A 96 16.870 9.321 -9.542 1.00 0.00 O ATOM 1463 CB SER A 96 18.220 8.713 -7.035 1.00 0.00 C ATOM 1464 OG SER A 96 18.669 9.906 -7.673 1.00 0.00 O ATOM 0 H SER A 96 17.074 6.510 -6.556 1.00 0.00 H new ATOM 0 HA SER A 96 16.159 9.241 -6.869 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.376 8.796 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.819 7.870 -7.380 1.00 0.00 H new ATOM 0 HG SER A 96 18.159 10.048 -8.498 1.00 0.00 H new ATOM 1470 N LYS A 97 15.831 7.333 -9.255 1.00 0.00 N ATOM 1471 CA LYS A 97 15.516 7.168 -10.663 1.00 0.00 C ATOM 1472 C LYS A 97 13.998 7.201 -10.850 1.00 0.00 C ATOM 1473 O LYS A 97 13.500 7.774 -11.817 1.00 0.00 O ATOM 1474 CB LYS A 97 16.176 5.903 -11.216 1.00 0.00 C ATOM 1475 CG LYS A 97 15.127 4.924 -11.745 1.00 0.00 C ATOM 1476 CD LYS A 97 14.636 5.343 -13.132 1.00 0.00 C ATOM 1477 CE LYS A 97 13.132 5.102 -13.278 1.00 0.00 C ATOM 1478 NZ LYS A 97 12.651 5.604 -14.585 1.00 0.00 N ATOM 0 H LYS A 97 15.512 6.572 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 97 15.927 7.994 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.867 6.169 -12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.764 5.424 -10.434 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.552 3.921 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.284 4.880 -11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.856 6.398 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.174 4.782 -13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.918 4.037 -13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.597 5.602 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.629 5.433 -14.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.838 6.625 -14.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.148 5.108 -15.352 1.00 0.00 H new ATOM 1492 N GLY A 98 13.305 6.579 -9.907 1.00 0.00 N ATOM 1493 CA GLY A 98 11.853 6.530 -9.955 1.00 0.00 C ATOM 1494 C GLY A 98 11.312 5.429 -9.041 1.00 0.00 C ATOM 1495 O GLY A 98 11.933 5.091 -8.035 1.00 0.00 O ATOM 0 H GLY A 98 13.722 6.105 -9.106 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.443 7.493 -9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.525 6.351 -10.979 1.00 0.00 H new ATOM 1499 N GLN A 99 10.159 4.900 -9.424 1.00 0.00 N ATOM 1500 CA GLN A 99 9.526 3.845 -8.651 1.00 0.00 C ATOM 1501 C GLN A 99 9.773 2.485 -9.308 1.00 0.00 C ATOM 1502 O GLN A 99 9.813 2.382 -10.533 1.00 0.00 O ATOM 1503 CB GLN A 99 8.029 4.110 -8.484 1.00 0.00 C ATOM 1504 CG GLN A 99 7.379 3.047 -7.596 1.00 0.00 C ATOM 1505 CD GLN A 99 5.892 2.895 -7.920 1.00 0.00 C ATOM 1506 OE1 GLN A 99 5.059 3.692 -7.522 1.00 0.00 O ATOM 1507 NE2 GLN A 99 5.606 1.829 -8.663 1.00 0.00 N ATOM 0 H GLN A 99 9.647 5.182 -10.260 1.00 0.00 H new ATOM 0 HA GLN A 99 9.972 3.832 -7.656 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.877 5.097 -8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.546 4.117 -9.461 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.885 2.092 -7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.500 3.320 -6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.352 1.201 -8.963 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.641 1.639 -8.933 1.00 0.00 H new ATOM 1516 N GLY A 100 9.932 1.476 -8.464 1.00 0.00 N ATOM 1517 CA GLY A 100 10.174 0.128 -8.947 1.00 0.00 C ATOM 1518 C GLY A 100 8.923 -0.741 -8.797 1.00 0.00 C ATOM 1519 O GLY A 100 7.802 -0.240 -8.873 1.00 0.00 O ATOM 0 H GLY A 100 9.898 1.566 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.474 0.162 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 100 11.000 -0.318 -8.393 1.00 0.00 H new ATOM 1523 N GLN A 101 9.157 -2.028 -8.586 1.00 0.00 N ATOM 1524 CA GLN A 101 8.064 -2.971 -8.425 1.00 0.00 C ATOM 1525 C GLN A 101 7.071 -2.458 -7.380 1.00 0.00 C ATOM 1526 O GLN A 101 7.278 -1.400 -6.788 1.00 0.00 O ATOM 1527 CB GLN A 101 8.587 -4.359 -8.049 1.00 0.00 C ATOM 1528 CG GLN A 101 7.941 -5.441 -8.915 1.00 0.00 C ATOM 1529 CD GLN A 101 9.004 -6.281 -9.628 1.00 0.00 C ATOM 1530 OE1 GLN A 101 9.549 -7.228 -9.086 1.00 0.00 O ATOM 1531 NE2 GLN A 101 9.266 -5.881 -10.869 1.00 0.00 N ATOM 0 H GLN A 101 10.088 -2.440 -8.523 1.00 0.00 H new ATOM 0 HA GLN A 101 7.545 -3.061 -9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.670 -4.389 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.379 -4.557 -6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.319 -6.086 -8.294 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.284 -4.978 -9.651 1.00 0.00 H new ATOM 0 HE21 GLN A 101 8.772 -5.079 -11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.961 -6.376 -11.428 1.00 0.00 H new ATOM 1540 N VAL A 102 6.013 -3.233 -7.185 1.00 0.00 N ATOM 1541 CA VAL A 102 4.987 -2.870 -6.222 1.00 0.00 C ATOM 1542 C VAL A 102 4.407 -4.141 -5.598 1.00 0.00 C ATOM 1543 O VAL A 102 4.249 -5.154 -6.278 1.00 0.00 O ATOM 1544 CB VAL A 102 3.926 -1.995 -6.892 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.742 -2.838 -7.370 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.462 -0.880 -5.953 1.00 0.00 C ATOM 0 H VAL A 102 5.845 -4.110 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 102 5.415 -2.277 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 102 4.380 -1.529 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.002 -2.192 -7.842 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.090 -3.578 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.289 -3.345 -6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.708 -0.273 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.035 -1.318 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.312 -0.253 -5.684 1.00 0.00 H new ATOM 1556 N SER A 103 4.106 -4.046 -4.311 1.00 0.00 N ATOM 1557 CA SER A 103 3.547 -5.176 -3.588 1.00 0.00 C ATOM 1558 C SER A 103 2.065 -4.929 -3.298 1.00 0.00 C ATOM 1559 O SER A 103 1.724 -4.179 -2.384 1.00 0.00 O ATOM 1560 CB SER A 103 4.309 -5.427 -2.285 1.00 0.00 C ATOM 1561 OG SER A 103 5.469 -6.228 -2.491 1.00 0.00 O ATOM 0 H SER A 103 4.239 -3.204 -3.750 1.00 0.00 H new ATOM 0 HA SER A 103 3.646 -6.065 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.601 -4.473 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.651 -5.919 -1.569 1.00 0.00 H new ATOM 0 HG SER A 103 5.929 -6.364 -1.636 1.00 0.00 H new ATOM 1567 N ALA A 104 1.224 -5.575 -4.092 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.213 -5.436 -3.932 1.00 0.00 C ATOM 1569 C ALA A 104 -0.767 -6.678 -3.232 1.00 0.00 C ATOM 1570 O ALA A 104 -0.655 -7.789 -3.749 1.00 0.00 O ATOM 1571 CB ALA A 104 -0.859 -5.200 -5.298 1.00 0.00 C ATOM 0 H ALA A 104 1.511 -6.196 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.447 -4.574 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.937 -5.096 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.454 -4.290 -5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.647 -6.046 -5.952 1.00 0.00 H new ATOM 1577 N SER A 105 -1.353 -6.450 -2.065 1.00 0.00 N ATOM 1578 CA SER A 105 -1.924 -7.537 -1.289 1.00 0.00 C ATOM 1579 C SER A 105 -3.407 -7.268 -1.024 1.00 0.00 C ATOM 1580 O SER A 105 -3.779 -6.168 -0.619 1.00 0.00 O ATOM 1581 CB SER A 105 -1.174 -7.724 0.031 1.00 0.00 C ATOM 1582 OG SER A 105 -0.405 -8.924 0.043 1.00 0.00 O ATOM 0 H SER A 105 -1.444 -5.528 -1.639 1.00 0.00 H new ATOM 0 HA SER A 105 -1.826 -8.457 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.517 -6.871 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.888 -7.743 0.854 1.00 0.00 H new ATOM 0 HG SER A 105 0.060 -9.006 0.902 1.00 0.00 H new ATOM 1588 N THR A 106 -4.213 -8.292 -1.263 1.00 0.00 N ATOM 1589 CA THR A 106 -5.647 -8.180 -1.055 1.00 0.00 C ATOM 1590 C THR A 106 -5.978 -8.262 0.437 1.00 0.00 C ATOM 1591 O THR A 106 -5.409 -9.080 1.158 1.00 0.00 O ATOM 1592 CB THR A 106 -6.332 -9.263 -1.890 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.520 -9.368 -3.056 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.695 -8.817 -2.423 1.00 0.00 C ATOM 0 H THR A 106 -3.900 -9.203 -1.599 1.00 0.00 H new ATOM 0 HA THR A 106 -6.020 -7.211 -1.385 1.00 0.00 H new ATOM 0 HB THR A 106 -6.455 -10.163 -1.287 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.892 -10.051 -3.653 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.138 -9.623 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.351 -8.573 -1.587 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.569 -7.937 -3.054 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.895 -7.403 0.855 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.308 -7.368 2.248 1.00 0.00 C ATOM 1604 C ILE A 107 -8.771 -6.927 2.330 1.00 0.00 C ATOM 1605 O ILE A 107 -9.166 -5.952 1.693 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.356 -6.495 3.067 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.871 -6.314 4.497 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.107 -5.154 2.374 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.699 -7.600 5.308 1.00 0.00 C ATOM 0 H ILE A 107 -7.364 -6.726 0.254 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.249 -8.363 2.688 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.396 -7.006 3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.332 -5.500 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.923 -6.031 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.427 -4.553 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.664 -5.328 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.052 -4.624 2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.073 -7.445 6.320 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.259 -8.406 4.834 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.643 -7.866 5.348 1.00 0.00 H new ATOM 1621 N SER A 108 -9.535 -7.667 3.121 1.00 0.00 N ATOM 1622 CA SER A 108 -10.945 -7.364 3.295 1.00 0.00 C ATOM 1623 C SER A 108 -11.169 -6.664 4.637 1.00 0.00 C ATOM 1624 O SER A 108 -10.845 -7.213 5.689 1.00 0.00 O ATOM 1625 CB SER A 108 -11.795 -8.634 3.211 1.00 0.00 C ATOM 1626 OG SER A 108 -13.057 -8.475 3.854 1.00 0.00 O ATOM 0 H SER A 108 -9.204 -8.475 3.648 1.00 0.00 H new ATOM 0 HA SER A 108 -11.253 -6.698 2.489 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.952 -8.897 2.165 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.256 -9.462 3.671 1.00 0.00 H new ATOM 0 HG SER A 108 -13.570 -9.306 3.777 1.00 0.00 H new ATOM 1632 N SER A 109 -11.720 -5.462 4.556 1.00 0.00 N ATOM 1633 CA SER A 109 -11.990 -4.681 5.752 1.00 0.00 C ATOM 1634 C SER A 109 -12.495 -5.594 6.870 1.00 0.00 C ATOM 1635 O SER A 109 -13.183 -6.580 6.609 1.00 0.00 O ATOM 1636 CB SER A 109 -13.009 -3.575 5.468 1.00 0.00 C ATOM 1637 OG SER A 109 -14.186 -4.081 4.844 1.00 0.00 O ATOM 0 H SER A 109 -11.987 -5.010 3.682 1.00 0.00 H new ATOM 0 HA SER A 109 -11.060 -4.209 6.070 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.278 -3.081 6.402 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.555 -2.820 4.827 1.00 0.00 H new ATOM 0 HG SER A 109 -14.680 -3.343 4.430 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.135 -5.233 8.093 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.543 -6.008 9.253 1.00 0.00 C ATOM 1645 C GLY A 110 -14.068 -6.092 9.347 1.00 0.00 C ATOM 1646 O GLY A 110 -14.680 -6.989 8.769 1.00 0.00 O ATOM 0 H GLY A 110 -11.565 -4.414 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.123 -7.012 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.144 -5.551 10.159 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.637 -5.146 10.079 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.078 -5.102 10.256 1.00 0.00 C ATOM 1652 C VAL A 111 -16.449 -3.862 11.072 1.00 0.00 C ATOM 1653 O VAL A 111 -15.737 -3.491 12.004 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.567 -6.404 10.892 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.877 -6.652 12.235 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.089 -6.399 11.051 1.00 0.00 C ATOM 0 H VAL A 111 -14.126 -4.404 10.557 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.579 -5.019 9.292 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.302 -7.223 10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.243 -7.584 12.665 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.800 -6.721 12.083 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.096 -5.828 12.914 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.410 -7.336 11.506 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.385 -5.566 11.688 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.557 -6.291 10.072 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.594 -3.239 10.682 1.00 0.00 N ATOM 1667 CA PRO A 112 -18.068 -2.048 11.367 1.00 0.00 C ATOM 1668 C PRO A 112 -18.683 -2.404 12.722 1.00 0.00 C ATOM 1669 O PRO A 112 -19.573 -3.249 12.802 1.00 0.00 O ATOM 1670 CB PRO A 112 -19.066 -1.415 10.410 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.459 -2.512 9.433 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.463 -3.649 9.583 1.00 0.00 C ATOM 0 HA PRO A 112 -17.265 -1.350 11.603 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.937 -1.039 10.946 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.623 -0.567 9.888 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.471 -2.861 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.454 -2.133 8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.967 -4.590 9.806 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.895 -3.802 8.665 1.00 0.00 H new ATOM 1680 N PRO A 113 -18.170 -1.723 13.782 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.659 -1.958 15.130 1.00 0.00 C ATOM 1682 C PRO A 113 -20.032 -1.314 15.335 1.00 0.00 C ATOM 1683 O PRO A 113 -20.794 -1.733 16.205 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.589 -1.381 16.042 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.770 -0.435 15.179 1.00 0.00 C ATOM 1686 CD PRO A 113 -17.116 -0.715 13.725 1.00 0.00 C ATOM 0 HA PRO A 113 -18.817 -3.015 15.343 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -18.037 -0.853 16.884 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.963 -2.171 16.458 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.992 0.602 15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.704 -0.584 15.354 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.458 0.188 13.219 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.249 -1.080 13.175 1.00 0.00 H new