USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 727 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 37 THR OG1 : rot -130:sc= -0.0206 USER MOD Set 1.2: A 118 ASN : amide:sc= -0.0409 X(o=-0.061,f=-0.021) USER MOD Set 2.1: A 76 MET CE :methyl -122:sc= 0 (180deg=-0.956) USER MOD Set 2.2: A 83 SER OG : rot 2:sc= -0.434 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.535 USER MOD Single : A 42 THR OG1 : rot 72:sc= 0.0442 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 53:sc= 1.04 USER MOD Single : A 49 ASN : amide:sc= 0.392 K(o=0.39,f=-1.2!) USER MOD Single : A 54 ASN : amide:sc= -6.18! C(o=-6.2!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.12! C(o=-1.1!,f=-1.8!) USER MOD Single : A 60 GLN :FLIP amide:sc= 0.632 F(o=-0.55,f=0.63) USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= -0.44 (180deg=-2.29!) USER MOD Single : A 68 CYS SG : rot -170:sc= -0.365 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00241 USER MOD Single : A 93 SER OG : rot 170:sc= -0.648 USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= -0.192 (180deg=-0.826) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 97:sc= 0.451 USER MOD Single : A 101 ASN : amide:sc= -1.75 K(o=-1.7,f=-5.9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.060 8.182 9.525 1.00 0.00 N ATOM 231 CA ILE A 35 0.893 8.151 8.078 1.00 0.00 C ATOM 232 C ILE A 35 -0.359 8.910 7.653 1.00 0.00 C ATOM 233 O ILE A 35 -1.466 8.593 8.087 1.00 0.00 O ATOM 234 CB ILE A 35 0.807 6.706 7.552 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.139 5.982 7.765 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.425 6.700 6.080 1.00 0.00 C ATOM 237 CD1 ILE A 35 2.052 4.485 7.567 1.00 0.00 C ATOM 0 HA ILE A 35 1.771 8.634 7.649 1.00 0.00 H new ATOM 0 HB ILE A 35 0.034 6.178 8.110 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.879 6.389 7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.497 6.187 8.774 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.368 5.672 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.544 7.182 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.177 7.242 5.507 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.032 4.038 7.734 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.337 4.065 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.724 4.271 6.550 1.00 0.00 H new ATOM 249 N GLU A 36 -0.175 9.913 6.800 1.00 0.00 N ATOM 250 CA GLU A 36 -1.291 10.717 6.314 1.00 0.00 C ATOM 251 C GLU A 36 -1.474 10.542 4.810 1.00 0.00 C ATOM 252 O GLU A 36 -0.540 10.739 4.031 1.00 0.00 O ATOM 253 CB GLU A 36 -1.066 12.193 6.644 1.00 0.00 C ATOM 254 CG GLU A 36 -1.012 12.484 8.134 1.00 0.00 C ATOM 255 CD GLU A 36 -1.093 13.966 8.443 1.00 0.00 C ATOM 256 OE1 GLU A 36 -0.710 14.776 7.574 1.00 0.00 O ATOM 257 OE2 GLU A 36 -1.541 14.316 9.555 1.00 0.00 O ATOM 0 H GLU A 36 0.735 10.188 6.431 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.197 10.375 6.814 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.133 12.521 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.866 12.782 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.833 11.968 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.087 12.081 8.546 1.00 0.00 H new ATOM 264 N THR A 37 -2.684 10.169 4.405 1.00 0.00 N ATOM 265 CA THR A 37 -2.991 9.966 2.995 1.00 0.00 C ATOM 266 C THR A 37 -4.035 10.964 2.510 1.00 0.00 C ATOM 267 O THR A 37 -4.874 11.426 3.283 1.00 0.00 O ATOM 268 CB THR A 37 -3.501 8.537 2.731 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.796 8.363 3.317 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.539 7.505 3.301 1.00 0.00 C ATOM 0 H THR A 37 -3.468 10.001 5.035 1.00 0.00 H new ATOM 0 HA THR A 37 -2.063 10.120 2.445 1.00 0.00 H new ATOM 0 HB THR A 37 -3.568 8.392 1.653 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.804 7.543 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.920 6.503 3.102 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.562 7.621 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.445 7.651 4.377 1.00 0.00 H new ATOM 278 N VAL A 38 -3.979 11.293 1.223 1.00 0.00 N ATOM 279 CA VAL A 38 -4.923 12.236 0.634 1.00 0.00 C ATOM 280 C VAL A 38 -6.210 11.536 0.215 1.00 0.00 C ATOM 281 O VAL A 38 -6.355 10.326 0.388 1.00 0.00 O ATOM 282 CB VAL A 38 -4.316 12.945 -0.591 1.00 0.00 C ATOM 283 CG1 VAL A 38 -3.202 13.889 -0.165 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.804 11.926 -1.598 1.00 0.00 C ATOM 0 H VAL A 38 -3.291 10.921 0.569 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.149 12.978 1.400 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.097 13.535 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.786 14.381 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.602 14.641 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.419 13.323 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.379 12.445 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.037 11.307 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.629 11.294 -1.928 1.00 0.00 H new ATOM 294 N SER A 39 -7.143 12.305 -0.337 1.00 0.00 N ATOM 295 CA SER A 39 -8.422 11.759 -0.778 1.00 0.00 C ATOM 296 C SER A 39 -8.375 11.394 -2.259 1.00 0.00 C ATOM 297 O SER A 39 -8.790 10.304 -2.654 1.00 0.00 O ATOM 298 CB SER A 39 -9.544 12.767 -0.525 1.00 0.00 C ATOM 299 OG SER A 39 -10.787 12.110 -0.341 1.00 0.00 O ATOM 0 H SER A 39 -7.038 13.308 -0.490 1.00 0.00 H new ATOM 0 HA SER A 39 -8.620 10.853 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.310 13.363 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.614 13.457 -1.366 1.00 0.00 H new ATOM 0 HG SER A 39 -11.488 12.775 -0.179 1.00 0.00 H new ATOM 305 N TYR A 40 -7.867 12.312 -3.072 1.00 0.00 N ATOM 306 CA TYR A 40 -7.767 12.090 -4.509 1.00 0.00 C ATOM 307 C TYR A 40 -6.804 10.947 -4.819 1.00 0.00 C ATOM 308 O TYR A 40 -5.978 10.575 -3.985 1.00 0.00 O ATOM 309 CB TYR A 40 -7.304 13.366 -5.214 1.00 0.00 C ATOM 310 CG TYR A 40 -6.043 13.958 -4.627 1.00 0.00 C ATOM 311 CD1 TYR A 40 -4.790 13.531 -5.047 1.00 0.00 C ATOM 312 CD2 TYR A 40 -6.104 14.947 -3.652 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.635 14.068 -4.511 1.00 0.00 C ATOM 314 CE2 TYR A 40 -4.956 15.492 -3.113 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.723 15.048 -3.546 1.00 0.00 C ATOM 316 OH TYR A 40 -2.575 15.589 -3.012 1.00 0.00 O ATOM 0 H TYR A 40 -7.518 13.218 -2.760 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.756 11.818 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.136 13.148 -6.269 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -8.101 14.108 -5.165 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.717 12.766 -5.806 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.067 15.295 -3.310 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.669 13.722 -4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.022 16.261 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.812 16.267 -2.346 1.00 0.00 H new ATOM 326 N ALA A 41 -6.917 10.396 -6.022 1.00 0.00 N ATOM 327 CA ALA A 41 -6.056 9.299 -6.444 1.00 0.00 C ATOM 328 C ALA A 41 -4.607 9.756 -6.575 1.00 0.00 C ATOM 329 O ALA A 41 -4.338 10.903 -6.935 1.00 0.00 O ATOM 330 CB ALA A 41 -6.549 8.716 -7.760 1.00 0.00 C ATOM 0 H ALA A 41 -7.597 10.692 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.097 8.524 -5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.896 7.897 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.565 8.342 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.540 9.490 -8.527 1.00 0.00 H new ATOM 336 N THR A 42 -3.677 8.853 -6.282 1.00 0.00 N ATOM 337 CA THR A 42 -2.256 9.165 -6.365 1.00 0.00 C ATOM 338 C THR A 42 -1.461 7.976 -6.893 1.00 0.00 C ATOM 339 O THR A 42 -1.557 6.870 -6.361 1.00 0.00 O ATOM 340 CB THR A 42 -1.689 9.577 -4.993 1.00 0.00 C ATOM 341 OG1 THR A 42 -2.039 8.602 -4.005 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.221 10.940 -4.576 1.00 0.00 C ATOM 0 H THR A 42 -3.883 7.899 -5.985 1.00 0.00 H new ATOM 0 HA THR A 42 -2.157 10.001 -7.057 1.00 0.00 H new ATOM 0 HB THR A 42 -0.604 9.636 -5.076 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.521 7.784 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.807 11.210 -3.604 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.929 11.686 -5.315 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.308 10.901 -4.509 1.00 0.00 H new ATOM 350 N GLN A 43 -0.678 8.211 -7.940 1.00 0.00 N ATOM 351 CA GLN A 43 0.133 7.157 -8.539 1.00 0.00 C ATOM 352 C GLN A 43 0.707 6.236 -7.468 1.00 0.00 C ATOM 353 O GLN A 43 0.898 5.043 -7.698 1.00 0.00 O ATOM 354 CB GLN A 43 1.266 7.765 -9.367 1.00 0.00 C ATOM 355 CG GLN A 43 0.881 8.047 -10.811 1.00 0.00 C ATOM 356 CD GLN A 43 1.954 8.810 -11.562 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.215 9.979 -11.278 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.584 8.150 -12.527 1.00 0.00 N ATOM 0 H GLN A 43 -0.588 9.121 -8.391 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.509 6.567 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.589 8.694 -8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.119 7.087 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.686 7.104 -11.322 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.047 8.618 -10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.335 7.182 -12.729 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.316 8.612 -13.066 1.00 0.00 H new ATOM 367 N SER A 44 0.979 6.799 -6.294 1.00 0.00 N ATOM 368 CA SER A 44 1.536 6.030 -5.187 1.00 0.00 C ATOM 369 C SER A 44 0.431 5.545 -4.254 1.00 0.00 C ATOM 370 O SER A 44 -0.661 6.113 -4.216 1.00 0.00 O ATOM 371 CB SER A 44 2.544 6.875 -4.408 1.00 0.00 C ATOM 372 OG SER A 44 2.175 8.243 -4.413 1.00 0.00 O ATOM 0 H SER A 44 0.822 7.785 -6.085 1.00 0.00 H new ATOM 0 HA SER A 44 2.046 5.160 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.607 6.516 -3.381 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.535 6.761 -4.847 1.00 0.00 H new ATOM 0 HG SER A 44 1.249 8.333 -4.104 1.00 0.00 H new ATOM 378 N LEU A 45 0.723 4.490 -3.501 1.00 0.00 N ATOM 379 CA LEU A 45 -0.244 3.926 -2.567 1.00 0.00 C ATOM 380 C LEU A 45 0.456 3.356 -1.336 1.00 0.00 C ATOM 381 O LEU A 45 1.609 2.932 -1.406 1.00 0.00 O ATOM 382 CB LEU A 45 -1.068 2.833 -3.250 1.00 0.00 C ATOM 383 CG LEU A 45 -2.020 3.300 -4.351 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.448 2.128 -5.221 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.236 3.990 -3.747 1.00 0.00 C ATOM 0 H LEU A 45 1.622 4.008 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.910 4.727 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.382 2.102 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.651 2.316 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.493 4.018 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.125 2.481 -5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.569 1.677 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.957 1.385 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.903 4.316 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.763 3.293 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.913 4.855 -3.168 1.00 0.00 H new ATOM 397 N VAL A 46 -0.251 3.349 -0.210 1.00 0.00 N ATOM 398 CA VAL A 46 0.300 2.828 1.035 1.00 0.00 C ATOM 399 C VAL A 46 -0.473 1.603 1.509 1.00 0.00 C ATOM 400 O VAL A 46 -1.680 1.669 1.743 1.00 0.00 O ATOM 401 CB VAL A 46 0.282 3.894 2.146 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.147 4.289 2.485 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.011 3.388 3.381 1.00 0.00 C ATOM 0 H VAL A 46 -1.206 3.698 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 46 1.332 2.545 0.830 1.00 0.00 H new ATOM 0 HB VAL A 46 0.802 4.781 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.139 5.043 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.632 4.696 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.695 3.412 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.989 4.154 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.522 2.486 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.046 3.161 3.125 1.00 0.00 H new ATOM 413 N VAL A 47 0.230 0.483 1.648 1.00 0.00 N ATOM 414 CA VAL A 47 -0.390 -0.758 2.096 1.00 0.00 C ATOM 415 C VAL A 47 -0.402 -0.849 3.618 1.00 0.00 C ATOM 416 O VAL A 47 0.644 -0.792 4.261 1.00 0.00 O ATOM 417 CB VAL A 47 0.341 -1.988 1.525 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.560 -3.213 1.571 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.812 -1.716 0.105 1.00 0.00 C ATOM 0 H VAL A 47 1.229 0.410 1.457 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.416 -0.750 1.728 1.00 0.00 H new ATOM 0 HB VAL A 47 1.217 -2.187 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.027 -4.072 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.843 -3.418 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.456 -3.028 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.326 -2.595 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.047 -1.490 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.495 -0.867 0.105 1.00 0.00 H new ATOM 429 N ALA A 48 -1.595 -0.989 4.187 1.00 0.00 N ATOM 430 CA ALA A 48 -1.744 -1.090 5.633 1.00 0.00 C ATOM 431 C ALA A 48 -1.817 -2.547 6.077 1.00 0.00 C ATOM 432 O ALA A 48 -2.131 -3.433 5.284 1.00 0.00 O ATOM 433 CB ALA A 48 -2.983 -0.335 6.090 1.00 0.00 C ATOM 0 H ALA A 48 -2.472 -1.035 3.668 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.866 -0.640 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.082 -0.419 7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.891 0.716 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.865 -0.760 5.611 1.00 0.00 H new ATOM 439 N ASN A 49 -1.524 -2.788 7.351 1.00 0.00 N ATOM 440 CA ASN A 49 -1.555 -4.139 7.901 1.00 0.00 C ATOM 441 C ASN A 49 -0.691 -5.084 7.072 1.00 0.00 C ATOM 442 O ASN A 49 -0.926 -6.290 7.039 1.00 0.00 O ATOM 443 CB ASN A 49 -2.993 -4.658 7.951 1.00 0.00 C ATOM 444 CG ASN A 49 -3.822 -3.960 9.012 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.291 -3.475 10.011 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.132 -3.908 8.800 1.00 0.00 N ATOM 0 H ASN A 49 -1.262 -2.066 8.022 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.153 -4.102 8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.461 -4.517 6.977 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.983 -5.730 8.148 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.741 -3.452 9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.529 -4.324 7.957 1.00 0.00 H new ATOM 453 N GLY A 50 0.313 -4.524 6.403 1.00 0.00 N ATOM 454 CA GLY A 50 1.199 -5.331 5.582 1.00 0.00 C ATOM 455 C GLY A 50 2.659 -5.139 5.944 1.00 0.00 C ATOM 456 O GLY A 50 3.039 -5.271 7.106 1.00 0.00 O ATOM 0 H GLY A 50 0.529 -3.527 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.935 -6.383 5.694 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.051 -5.075 4.533 1.00 0.00 H new ATOM 460 N GLY A 51 3.478 -4.831 4.944 1.00 0.00 N ATOM 461 CA GLY A 51 4.895 -4.629 5.183 1.00 0.00 C ATOM 462 C GLY A 51 5.583 -5.882 5.687 1.00 0.00 C ATOM 463 O GLY A 51 4.942 -6.762 6.263 1.00 0.00 O ATOM 0 H GLY A 51 3.186 -4.718 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.373 -4.302 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.027 -3.828 5.911 1.00 0.00 H new ATOM 467 N LEU A 52 6.891 -5.964 5.471 1.00 0.00 N ATOM 468 CA LEU A 52 7.667 -7.121 5.907 1.00 0.00 C ATOM 469 C LEU A 52 7.272 -7.541 7.319 1.00 0.00 C ATOM 470 O LEU A 52 6.981 -8.709 7.572 1.00 0.00 O ATOM 471 CB LEU A 52 9.162 -6.804 5.857 1.00 0.00 C ATOM 472 CG LEU A 52 9.713 -6.378 4.495 1.00 0.00 C ATOM 473 CD1 LEU A 52 11.046 -5.664 4.657 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.861 -7.584 3.578 1.00 0.00 C ATOM 0 H LEU A 52 7.437 -5.244 4.997 1.00 0.00 H new ATOM 0 HA LEU A 52 7.454 -7.947 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.369 -6.010 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.711 -7.685 6.189 1.00 0.00 H new ATOM 0 HG LEU A 52 9.006 -5.685 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.422 -5.369 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.911 -4.777 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.762 -6.334 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.254 -7.262 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.547 -8.301 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.888 -8.054 3.434 1.00 0.00 H new ATOM 486 N GLY A 53 7.262 -6.579 8.237 1.00 0.00 N ATOM 487 CA GLY A 53 6.899 -6.867 9.611 1.00 0.00 C ATOM 488 C GLY A 53 5.721 -7.816 9.713 1.00 0.00 C ATOM 489 O GLY A 53 5.656 -8.641 10.624 1.00 0.00 O ATOM 0 H GLY A 53 7.499 -5.604 8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.756 -7.300 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.656 -5.935 10.122 1.00 0.00 H new ATOM 493 N ASN A 54 4.787 -7.699 8.775 1.00 0.00 N ATOM 494 CA ASN A 54 3.603 -8.552 8.764 1.00 0.00 C ATOM 495 C ASN A 54 3.874 -9.846 8.004 1.00 0.00 C ATOM 496 O ASN A 54 2.978 -10.407 7.373 1.00 0.00 O ATOM 497 CB ASN A 54 2.423 -7.813 8.131 1.00 0.00 C ATOM 498 CG ASN A 54 1.960 -6.637 8.970 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.773 -5.913 9.546 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.649 -6.441 9.042 1.00 0.00 N ATOM 0 H ASN A 54 4.826 -7.022 8.013 1.00 0.00 H new ATOM 0 HA ASN A 54 3.355 -8.802 9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.709 -7.459 7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.594 -8.507 7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.279 -5.665 9.591 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.012 -7.066 8.548 1.00 0.00 H new ATOM 507 N GLY A 55 5.115 -10.317 8.069 1.00 0.00 N ATOM 508 CA GLY A 55 5.482 -11.543 7.384 1.00 0.00 C ATOM 509 C GLY A 55 5.116 -11.516 5.913 1.00 0.00 C ATOM 510 O GLY A 55 5.018 -12.561 5.271 1.00 0.00 O ATOM 0 H GLY A 55 5.874 -9.871 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.555 -11.705 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.985 -12.386 7.864 1.00 0.00 H new ATOM 514 N VAL A 56 4.913 -10.316 5.377 1.00 0.00 N ATOM 515 CA VAL A 56 4.556 -10.157 3.974 1.00 0.00 C ATOM 516 C VAL A 56 5.782 -9.835 3.127 1.00 0.00 C ATOM 517 O VAL A 56 6.313 -8.726 3.181 1.00 0.00 O ATOM 518 CB VAL A 56 3.508 -9.043 3.783 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.306 -8.747 2.305 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.193 -9.432 4.442 1.00 0.00 C ATOM 0 H VAL A 56 4.990 -9.440 5.894 1.00 0.00 H new ATOM 0 HA VAL A 56 4.131 -11.106 3.647 1.00 0.00 H new ATOM 0 HB VAL A 56 3.875 -8.136 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.563 -7.958 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.250 -8.423 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.960 -9.648 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.464 -8.635 4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.819 -10.352 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.353 -9.589 5.509 1.00 0.00 H new ATOM 530 N SER A 57 6.228 -10.814 2.345 1.00 0.00 N ATOM 531 CA SER A 57 7.395 -10.637 1.489 1.00 0.00 C ATOM 532 C SER A 57 7.021 -9.902 0.205 1.00 0.00 C ATOM 533 O SER A 57 5.853 -9.869 -0.185 1.00 0.00 O ATOM 534 CB SER A 57 8.017 -11.993 1.152 1.00 0.00 C ATOM 535 OG SER A 57 8.371 -12.699 2.329 1.00 0.00 O ATOM 0 H SER A 57 5.799 -11.737 2.287 1.00 0.00 H new ATOM 0 HA SER A 57 8.125 -10.036 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.312 -12.585 0.568 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.902 -11.847 0.532 1.00 0.00 H new ATOM 0 HG SER A 57 8.765 -13.563 2.086 1.00 0.00 H new ATOM 541 N ARG A 58 8.019 -9.316 -0.447 1.00 0.00 N ATOM 542 CA ARG A 58 7.796 -8.581 -1.686 1.00 0.00 C ATOM 543 C ARG A 58 7.220 -9.495 -2.763 1.00 0.00 C ATOM 544 O ARG A 58 6.311 -9.109 -3.497 1.00 0.00 O ATOM 545 CB ARG A 58 9.104 -7.958 -2.177 1.00 0.00 C ATOM 546 CG ARG A 58 9.049 -7.485 -3.620 1.00 0.00 C ATOM 547 CD ARG A 58 10.331 -6.774 -4.022 1.00 0.00 C ATOM 548 NE ARG A 58 11.337 -7.704 -4.531 1.00 0.00 N ATOM 549 CZ ARG A 58 12.588 -7.355 -4.804 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.988 -6.104 -4.618 1.00 0.00 N ATOM 551 NH2 ARG A 58 13.445 -8.258 -5.264 1.00 0.00 N ATOM 0 H ARG A 58 8.991 -9.336 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 58 7.077 -7.787 -1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.357 -7.114 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.906 -8.689 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.883 -8.338 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.202 -6.812 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.108 -6.028 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.734 -6.239 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 58 11.063 -8.674 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.333 -5.407 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.950 -5.840 -4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.142 -9.221 -5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.406 -7.989 -5.473 1.00 0.00 H new ATOM 565 N ASN A 59 7.755 -10.708 -2.852 1.00 0.00 N ATOM 566 CA ASN A 59 7.296 -11.676 -3.840 1.00 0.00 C ATOM 567 C ASN A 59 5.944 -12.260 -3.441 1.00 0.00 C ATOM 568 O ASN A 59 5.358 -13.052 -4.179 1.00 0.00 O ATOM 569 CB ASN A 59 8.322 -12.799 -4.001 1.00 0.00 C ATOM 570 CG ASN A 59 7.709 -14.067 -4.564 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.163 -14.887 -3.824 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.797 -14.233 -5.878 1.00 0.00 N ATOM 0 H ASN A 59 8.508 -11.044 -2.251 1.00 0.00 H new ATOM 0 HA ASN A 59 7.182 -11.159 -4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.124 -12.463 -4.659 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.774 -13.016 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.403 -15.067 -6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.258 -13.527 -6.451 1.00 0.00 H new ATOM 579 N GLN A 60 5.457 -11.865 -2.270 1.00 0.00 N ATOM 580 CA GLN A 60 4.175 -12.350 -1.772 1.00 0.00 C ATOM 581 C GLN A 60 3.118 -11.252 -1.830 1.00 0.00 C ATOM 582 O GLN A 60 1.920 -11.524 -1.739 1.00 0.00 O ATOM 583 CB GLN A 60 4.321 -12.859 -0.338 1.00 0.00 C ATOM 584 CG GLN A 60 2.991 -13.113 0.355 1.00 0.00 C ATOM 585 CD GLN A 60 2.196 -14.227 -0.297 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.171 -15.390 0.344 1.00 0.00 O flip ATOM 587 NE2 GLN A 60 1.611 -14.045 -1.364 1.00 0.00 N flip ATOM 0 H GLN A 60 5.931 -11.210 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 60 3.853 -13.173 -2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.899 -13.783 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.890 -12.132 0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.172 -13.365 1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.400 -12.197 0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.657 -13.135 -1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.080 -14.804 -1.790 1.00 0.00 H new ATOM 596 N LEU A 61 3.569 -10.011 -1.982 1.00 0.00 N ATOM 597 CA LEU A 61 2.661 -8.871 -2.052 1.00 0.00 C ATOM 598 C LEU A 61 2.634 -8.283 -3.459 1.00 0.00 C ATOM 599 O LEU A 61 1.581 -7.875 -3.953 1.00 0.00 O ATOM 600 CB LEU A 61 3.081 -7.798 -1.046 1.00 0.00 C ATOM 601 CG LEU A 61 2.088 -6.656 -0.830 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.830 -7.164 -0.144 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.728 -5.539 -0.017 1.00 0.00 C ATOM 0 H LEU A 61 4.557 -9.769 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 61 1.658 -9.220 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.264 -8.280 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.029 -7.372 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 61 1.808 -6.255 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.135 -6.337 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.360 -7.928 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.091 -7.593 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.007 -4.735 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.038 -5.927 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.599 -5.155 -0.549 1.00 0.00 H new ATOM 615 N LEU A 62 3.796 -8.243 -4.101 1.00 0.00 N ATOM 616 CA LEU A 62 3.906 -7.707 -5.453 1.00 0.00 C ATOM 617 C LEU A 62 2.974 -8.445 -6.409 1.00 0.00 C ATOM 618 O LEU A 62 2.304 -7.845 -7.249 1.00 0.00 O ATOM 619 CB LEU A 62 5.349 -7.809 -5.948 1.00 0.00 C ATOM 620 CG LEU A 62 5.544 -7.765 -7.464 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.292 -6.361 -7.993 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.943 -8.234 -7.836 1.00 0.00 C ATOM 0 H LEU A 62 4.676 -8.576 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 62 3.612 -6.658 -5.426 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.922 -6.995 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.775 -8.740 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 62 4.822 -8.440 -7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.435 -6.348 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.270 -6.062 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.990 -5.666 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.064 -8.196 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.681 -7.585 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.087 -9.258 -7.491 1.00 0.00 H new ATOM 634 N PRO A 63 2.929 -9.780 -6.278 1.00 0.00 N ATOM 635 CA PRO A 63 2.081 -10.629 -7.120 1.00 0.00 C ATOM 636 C PRO A 63 0.651 -10.105 -7.219 1.00 0.00 C ATOM 637 O PRO A 63 0.019 -10.192 -8.271 1.00 0.00 O ATOM 638 CB PRO A 63 2.107 -11.980 -6.401 1.00 0.00 C ATOM 639 CG PRO A 63 3.394 -11.984 -5.650 1.00 0.00 C ATOM 640 CD PRO A 63 3.701 -10.561 -5.298 1.00 0.00 C ATOM 0 HA PRO A 63 2.440 -10.671 -8.148 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.256 -12.087 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.059 -12.807 -7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.314 -12.595 -4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.193 -12.412 -6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.401 -10.328 -4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.768 -10.352 -5.372 1.00 0.00 H new ATOM 648 N VAL A 64 0.149 -9.560 -6.115 1.00 0.00 N ATOM 649 CA VAL A 64 -1.205 -9.020 -6.078 1.00 0.00 C ATOM 650 C VAL A 64 -1.261 -7.631 -6.703 1.00 0.00 C ATOM 651 O VAL A 64 -2.279 -7.233 -7.269 1.00 0.00 O ATOM 652 CB VAL A 64 -1.741 -8.945 -4.635 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.185 -8.470 -4.626 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.609 -10.296 -3.948 1.00 0.00 C ATOM 0 H VAL A 64 0.659 -9.481 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.832 -9.700 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.144 -8.222 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.546 -8.423 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.245 -7.480 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.801 -9.166 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.992 -10.225 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.181 -11.042 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.560 -10.590 -3.921 1.00 0.00 H new ATOM 664 N LEU A 65 -0.159 -6.896 -6.595 1.00 0.00 N ATOM 665 CA LEU A 65 -0.081 -5.549 -7.149 1.00 0.00 C ATOM 666 C LEU A 65 0.168 -5.594 -8.654 1.00 0.00 C ATOM 667 O LEU A 65 -0.004 -4.594 -9.350 1.00 0.00 O ATOM 668 CB LEU A 65 1.031 -4.756 -6.460 1.00 0.00 C ATOM 669 CG LEU A 65 1.002 -4.751 -4.931 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.341 -4.294 -4.374 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.121 -3.858 -4.422 1.00 0.00 C ATOM 0 H LEU A 65 0.692 -7.210 -6.129 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.035 -5.053 -6.971 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.991 -5.158 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.983 -3.724 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 65 0.816 -5.768 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.302 -4.297 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.126 -4.972 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.557 -3.286 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.127 -3.866 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.035 -2.839 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.077 -4.228 -4.793 1.00 0.00 H new ATOM 683 N GLU A 66 0.573 -6.759 -9.148 1.00 0.00 N ATOM 684 CA GLU A 66 0.844 -6.933 -10.569 1.00 0.00 C ATOM 685 C GLU A 66 -0.407 -7.403 -11.308 1.00 0.00 C ATOM 686 O GLU A 66 -0.745 -6.884 -12.371 1.00 0.00 O ATOM 687 CB GLU A 66 1.979 -7.939 -10.776 1.00 0.00 C ATOM 688 CG GLU A 66 3.326 -7.447 -10.274 1.00 0.00 C ATOM 689 CD GLU A 66 4.465 -8.371 -10.656 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.328 -9.596 -10.453 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.492 -7.870 -11.159 1.00 0.00 O ATOM 0 H GLU A 66 0.721 -7.596 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 66 1.145 -5.968 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.727 -8.868 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.059 -8.171 -11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.519 -6.453 -10.678 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.291 -7.349 -9.189 1.00 0.00 H new ATOM 698 N LYS A 67 -1.088 -8.391 -10.738 1.00 0.00 N ATOM 699 CA LYS A 67 -2.300 -8.932 -11.339 1.00 0.00 C ATOM 700 C LYS A 67 -3.294 -7.818 -11.656 1.00 0.00 C ATOM 701 O LYS A 67 -4.029 -7.891 -12.642 1.00 0.00 O ATOM 702 CB LYS A 67 -2.947 -9.955 -10.403 1.00 0.00 C ATOM 703 CG LYS A 67 -3.345 -9.379 -9.054 1.00 0.00 C ATOM 704 CD LYS A 67 -4.004 -10.427 -8.172 1.00 0.00 C ATOM 705 CE LYS A 67 -5.465 -10.626 -8.542 1.00 0.00 C ATOM 706 NZ LYS A 67 -5.628 -11.599 -9.658 1.00 0.00 N ATOM 0 H LYS A 67 -0.820 -8.834 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.024 -9.426 -12.271 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.831 -10.369 -10.887 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.253 -10.781 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.462 -8.983 -8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.030 -8.544 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.471 -11.373 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.930 -10.124 -7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.016 -10.978 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.901 -9.669 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.987 -11.105 -10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.709 -12.033 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.303 -12.339 -9.378 1.00 0.00 H new ATOM 720 N CYS A 68 -3.311 -6.790 -10.815 1.00 0.00 N ATOM 721 CA CYS A 68 -4.214 -5.661 -11.007 1.00 0.00 C ATOM 722 C CYS A 68 -3.643 -4.673 -12.018 1.00 0.00 C ATOM 723 O CYS A 68 -4.159 -4.535 -13.126 1.00 0.00 O ATOM 724 CB CYS A 68 -4.471 -4.955 -9.675 1.00 0.00 C ATOM 725 SG CYS A 68 -5.845 -5.647 -8.724 1.00 0.00 S ATOM 0 H CYS A 68 -2.710 -6.715 -9.994 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.158 -6.045 -11.395 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.565 -5.002 -9.071 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.671 -3.901 -9.868 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.119 -4.863 -7.724 1.00 0.00 H new ATOM 731 N GLY A 69 -2.574 -3.986 -11.628 1.00 0.00 N ATOM 732 CA GLY A 69 -1.951 -3.018 -12.511 1.00 0.00 C ATOM 733 C GLY A 69 -0.445 -3.176 -12.575 1.00 0.00 C ATOM 734 O GLY A 69 0.121 -4.066 -11.938 1.00 0.00 O ATOM 0 H GLY A 69 -2.128 -4.083 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.367 -3.124 -13.513 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.193 -2.011 -12.170 1.00 0.00 H new ATOM 738 N LEU A 70 0.207 -2.313 -13.346 1.00 0.00 N ATOM 739 CA LEU A 70 1.658 -2.362 -13.493 1.00 0.00 C ATOM 740 C LEU A 70 2.349 -1.767 -12.270 1.00 0.00 C ATOM 741 O LEU A 70 2.001 -0.677 -11.816 1.00 0.00 O ATOM 742 CB LEU A 70 2.089 -1.609 -14.753 1.00 0.00 C ATOM 743 CG LEU A 70 1.689 -2.246 -16.085 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.930 -1.278 -17.232 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.457 -3.541 -16.307 1.00 0.00 C ATOM 0 H LEU A 70 -0.246 -1.571 -13.879 1.00 0.00 H new ATOM 0 HA LEU A 70 1.954 -3.407 -13.583 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.669 -0.604 -14.713 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.174 -1.502 -14.735 1.00 0.00 H new ATOM 0 HG LEU A 70 0.625 -2.479 -16.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.640 -1.748 -18.172 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.336 -0.377 -17.078 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.987 -1.014 -17.269 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.160 -3.981 -17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.527 -3.332 -16.321 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.235 -4.239 -15.500 1.00 0.00 H new ATOM 757 N VAL A 71 3.332 -2.490 -11.742 1.00 0.00 N ATOM 758 CA VAL A 71 4.075 -2.032 -10.575 1.00 0.00 C ATOM 759 C VAL A 71 5.413 -1.424 -10.978 1.00 0.00 C ATOM 760 O VAL A 71 6.360 -2.141 -11.304 1.00 0.00 O ATOM 761 CB VAL A 71 4.324 -3.182 -9.581 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.087 -2.682 -8.365 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.008 -3.825 -9.169 1.00 0.00 C ATOM 0 H VAL A 71 3.632 -3.395 -12.104 1.00 0.00 H new ATOM 0 HA VAL A 71 3.465 -1.269 -10.091 1.00 0.00 H new ATOM 0 HB VAL A 71 4.933 -3.940 -10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.253 -3.509 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.047 -2.274 -8.680 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.508 -1.904 -7.867 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.203 -4.635 -8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.371 -3.079 -8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.505 -4.222 -10.051 1.00 0.00 H new ATOM 773 N ASP A 72 5.486 -0.098 -10.953 1.00 0.00 N ATOM 774 CA ASP A 72 6.710 0.607 -11.315 1.00 0.00 C ATOM 775 C ASP A 72 7.773 0.444 -10.232 1.00 0.00 C ATOM 776 O ASP A 72 8.895 0.021 -10.509 1.00 0.00 O ATOM 777 CB ASP A 72 6.420 2.092 -11.542 1.00 0.00 C ATOM 778 CG ASP A 72 7.579 2.814 -12.201 1.00 0.00 C ATOM 779 OD1 ASP A 72 7.918 2.467 -13.352 1.00 0.00 O ATOM 780 OD2 ASP A 72 8.147 3.727 -11.566 1.00 0.00 O ATOM 0 H ASP A 72 4.712 0.510 -10.686 1.00 0.00 H new ATOM 0 HA ASP A 72 7.090 0.173 -12.240 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.531 2.195 -12.164 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.197 2.566 -10.586 1.00 0.00 H new ATOM 785 N ALA A 73 7.410 0.782 -8.999 1.00 0.00 N ATOM 786 CA ALA A 73 8.331 0.670 -7.875 1.00 0.00 C ATOM 787 C ALA A 73 7.586 0.351 -6.583 1.00 0.00 C ATOM 788 O ALA A 73 6.678 1.082 -6.182 1.00 0.00 O ATOM 789 CB ALA A 73 9.132 1.954 -7.721 1.00 0.00 C ATOM 0 H ALA A 73 6.485 1.135 -8.753 1.00 0.00 H new ATOM 0 HA ALA A 73 9.017 -0.152 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.816 1.857 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.702 2.139 -8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.453 2.788 -7.543 1.00 0.00 H new ATOM 795 N LEU A 74 7.972 -0.743 -5.937 1.00 0.00 N ATOM 796 CA LEU A 74 7.339 -1.159 -4.690 1.00 0.00 C ATOM 797 C LEU A 74 8.288 -0.975 -3.510 1.00 0.00 C ATOM 798 O LEU A 74 9.190 -1.785 -3.292 1.00 0.00 O ATOM 799 CB LEU A 74 6.899 -2.621 -4.782 1.00 0.00 C ATOM 800 CG LEU A 74 6.569 -3.307 -3.456 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.335 -2.684 -2.825 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.367 -4.801 -3.664 1.00 0.00 C ATOM 0 H LEU A 74 8.720 -1.358 -6.256 1.00 0.00 H new ATOM 0 HA LEU A 74 6.462 -0.531 -4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.020 -2.675 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.690 -3.187 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 74 7.410 -3.165 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.116 -3.185 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.516 -1.625 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.486 -2.794 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.133 -5.273 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.544 -4.963 -4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.279 -5.238 -4.071 1.00 0.00 H new ATOM 814 N LEU A 75 8.078 0.094 -2.750 1.00 0.00 N ATOM 815 CA LEU A 75 8.914 0.384 -1.590 1.00 0.00 C ATOM 816 C LEU A 75 8.451 -0.411 -0.374 1.00 0.00 C ATOM 817 O LEU A 75 7.284 -0.346 0.015 1.00 0.00 O ATOM 818 CB LEU A 75 8.883 1.881 -1.277 1.00 0.00 C ATOM 819 CG LEU A 75 9.661 2.323 -0.036 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.158 2.281 -0.302 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.232 3.718 0.393 1.00 0.00 C ATOM 0 H LEU A 75 7.336 0.774 -2.916 1.00 0.00 H new ATOM 0 HA LEU A 75 9.937 0.089 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.276 2.420 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.843 2.185 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 75 9.438 1.631 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.695 2.599 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.453 1.264 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.400 2.950 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.796 4.016 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.426 4.423 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.167 3.716 0.625 1.00 0.00 H new ATOM 833 N MET A 76 9.373 -1.159 0.224 1.00 0.00 N ATOM 834 CA MET A 76 9.059 -1.964 1.399 1.00 0.00 C ATOM 835 C MET A 76 10.036 -1.673 2.534 1.00 0.00 C ATOM 836 O MET A 76 11.129 -2.235 2.604 1.00 0.00 O ATOM 837 CB MET A 76 9.095 -3.452 1.048 1.00 0.00 C ATOM 838 CG MET A 76 7.978 -3.884 0.112 1.00 0.00 C ATOM 839 SD MET A 76 7.721 -5.669 0.113 1.00 0.00 S ATOM 840 CE MET A 76 6.830 -5.882 1.651 1.00 0.00 C ATOM 0 H MET A 76 10.343 -1.224 -0.085 1.00 0.00 H new ATOM 0 HA MET A 76 8.055 -1.701 1.732 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.055 -3.685 0.586 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.033 -4.035 1.967 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.053 -3.388 0.404 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.211 -3.555 -0.901 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.377 -6.570 2.296 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.730 -4.918 2.150 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.840 -6.288 1.445 1.00 0.00 H new ATOM 850 N PRO A 77 9.635 -0.773 3.445 1.00 0.00 N ATOM 851 CA PRO A 77 10.461 -0.388 4.593 1.00 0.00 C ATOM 852 C PRO A 77 10.592 -1.512 5.616 1.00 0.00 C ATOM 853 O PRO A 77 9.619 -2.179 5.968 1.00 0.00 O ATOM 854 CB PRO A 77 9.701 0.797 5.194 1.00 0.00 C ATOM 855 CG PRO A 77 8.286 0.591 4.777 1.00 0.00 C ATOM 856 CD PRO A 77 8.344 -0.064 3.424 1.00 0.00 C ATOM 0 HA PRO A 77 11.484 -0.151 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.795 0.818 6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.089 1.745 4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.756 -0.038 5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.751 1.540 4.729 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.511 -0.750 3.273 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.302 0.670 2.620 1.00 0.00 H new ATOM 864 N PRO A 78 11.822 -1.726 6.106 1.00 0.00 N ATOM 865 CA PRO A 78 12.108 -2.768 7.097 1.00 0.00 C ATOM 866 C PRO A 78 11.513 -2.447 8.464 1.00 0.00 C ATOM 867 O PRO A 78 11.492 -1.292 8.886 1.00 0.00 O ATOM 868 CB PRO A 78 13.637 -2.778 7.167 1.00 0.00 C ATOM 869 CG PRO A 78 14.045 -1.409 6.745 1.00 0.00 C ATOM 870 CD PRO A 78 13.027 -0.968 5.731 1.00 0.00 C ATOM 0 HA PRO A 78 11.674 -3.728 6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.986 -3.002 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.058 -3.537 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.068 -0.729 7.596 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.047 -1.415 6.315 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.855 0.107 5.775 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.346 -1.198 4.715 1.00 0.00 H new ATOM 878 N ASN A 79 11.032 -3.478 9.150 1.00 0.00 N ATOM 879 CA ASN A 79 10.436 -3.306 10.470 1.00 0.00 C ATOM 880 C ASN A 79 9.249 -2.349 10.410 1.00 0.00 C ATOM 881 O ASN A 79 9.029 -1.557 11.327 1.00 0.00 O ATOM 882 CB ASN A 79 11.479 -2.783 11.459 1.00 0.00 C ATOM 883 CG ASN A 79 12.797 -3.526 11.356 1.00 0.00 C ATOM 884 OD1 ASN A 79 13.808 -2.964 10.937 1.00 0.00 O ATOM 885 ND2 ASN A 79 12.790 -4.798 11.740 1.00 0.00 N ATOM 0 H ASN A 79 11.043 -4.441 8.814 1.00 0.00 H new ATOM 0 HA ASN A 79 10.079 -4.278 10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.648 -1.722 11.277 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.092 -2.875 12.474 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.647 -5.349 11.694 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.928 -5.223 12.081 1.00 0.00 H new ATOM 892 N LYS A 80 8.488 -2.425 9.325 1.00 0.00 N ATOM 893 CA LYS A 80 7.322 -1.567 9.144 1.00 0.00 C ATOM 894 C LYS A 80 6.136 -2.366 8.613 1.00 0.00 C ATOM 895 O LYS A 80 6.206 -2.999 7.560 1.00 0.00 O ATOM 896 CB LYS A 80 7.651 -0.421 8.185 1.00 0.00 C ATOM 897 CG LYS A 80 8.572 0.629 8.782 1.00 0.00 C ATOM 898 CD LYS A 80 7.857 1.463 9.833 1.00 0.00 C ATOM 899 CE LYS A 80 8.838 2.068 10.825 1.00 0.00 C ATOM 900 NZ LYS A 80 8.139 2.725 11.964 1.00 0.00 N ATOM 0 H LYS A 80 8.657 -3.073 8.556 1.00 0.00 H new ATOM 0 HA LYS A 80 7.052 -1.153 10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.115 -0.831 7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.723 0.058 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.439 0.142 9.230 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.945 1.280 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.293 2.258 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.137 0.841 10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.498 1.288 11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.467 2.798 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.842 3.125 12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.528 3.486 11.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.558 2.023 12.466 1.00 0.00 H new ATOM 914 N PRO A 81 5.020 -2.335 9.356 1.00 0.00 N ATOM 915 CA PRO A 81 3.797 -3.049 8.978 1.00 0.00 C ATOM 916 C PRO A 81 3.119 -2.431 7.759 1.00 0.00 C ATOM 917 O PRO A 81 2.118 -2.950 7.265 1.00 0.00 O ATOM 918 CB PRO A 81 2.906 -2.906 10.215 1.00 0.00 C ATOM 919 CG PRO A 81 3.387 -1.666 10.887 1.00 0.00 C ATOM 920 CD PRO A 81 4.867 -1.601 10.623 1.00 0.00 C ATOM 0 HA PRO A 81 3.998 -4.083 8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.855 -2.824 9.938 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.997 -3.772 10.870 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.881 -0.786 10.491 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.182 -1.697 11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.215 -0.572 10.536 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.439 -2.064 11.427 1.00 0.00 H new ATOM 928 N TYR A 82 3.671 -1.323 7.279 1.00 0.00 N ATOM 929 CA TYR A 82 3.119 -0.635 6.118 1.00 0.00 C ATOM 930 C TYR A 82 4.158 -0.517 5.009 1.00 0.00 C ATOM 931 O TYR A 82 5.362 -0.552 5.263 1.00 0.00 O ATOM 932 CB TYR A 82 2.620 0.756 6.514 1.00 0.00 C ATOM 933 CG TYR A 82 3.715 1.674 7.008 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.534 2.353 6.115 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.932 1.862 8.367 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.536 3.193 6.561 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.930 2.700 8.823 1.00 0.00 C ATOM 938 CZ TYR A 82 5.730 3.364 7.916 1.00 0.00 C ATOM 939 OH TYR A 82 6.728 4.199 8.366 1.00 0.00 O ATOM 0 H TYR A 82 4.501 -0.882 7.676 1.00 0.00 H new ATOM 0 HA TYR A 82 2.281 -1.223 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.132 1.216 5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.864 0.654 7.293 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.385 2.222 5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.309 1.343 9.080 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.164 3.713 5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.084 2.835 9.883 1.00 0.00 H new ATOM 0 HH TYR A 82 6.730 4.208 9.346 1.00 0.00 H new ATOM 949 N SER A 83 3.684 -0.379 3.775 1.00 0.00 N ATOM 950 CA SER A 83 4.571 -0.260 2.623 1.00 0.00 C ATOM 951 C SER A 83 4.013 0.733 1.609 1.00 0.00 C ATOM 952 O SER A 83 2.873 1.183 1.724 1.00 0.00 O ATOM 953 CB SER A 83 4.769 -1.625 1.963 1.00 0.00 C ATOM 954 OG SER A 83 5.534 -2.486 2.788 1.00 0.00 O ATOM 0 H SER A 83 2.690 -0.347 3.547 1.00 0.00 H new ATOM 0 HA SER A 83 5.535 0.109 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.799 -2.078 1.760 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.268 -1.499 1.002 1.00 0.00 H new ATOM 0 HG SER A 83 5.756 -2.026 3.624 1.00 0.00 H new ATOM 960 N PHE A 84 4.825 1.071 0.613 1.00 0.00 N ATOM 961 CA PHE A 84 4.415 2.011 -0.424 1.00 0.00 C ATOM 962 C PHE A 84 4.642 1.423 -1.813 1.00 0.00 C ATOM 963 O PHE A 84 5.675 0.811 -2.078 1.00 0.00 O ATOM 964 CB PHE A 84 5.185 3.326 -0.283 1.00 0.00 C ATOM 965 CG PHE A 84 5.134 3.906 1.102 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.026 4.621 1.527 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.193 3.735 1.978 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.975 5.156 2.801 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.148 4.267 3.253 1.00 0.00 C ATOM 970 CZ PHE A 84 5.039 4.979 3.665 1.00 0.00 C ATOM 0 H PHE A 84 5.772 0.708 0.502 1.00 0.00 H new ATOM 0 HA PHE A 84 3.350 2.206 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.226 3.160 -0.560 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.780 4.052 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.192 4.762 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.064 3.180 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.105 5.711 3.120 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.980 4.126 3.927 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.003 5.397 4.660 1.00 0.00 H new ATOM 980 N ALA A 85 3.665 1.613 -2.696 1.00 0.00 N ATOM 981 CA ALA A 85 3.758 1.103 -4.058 1.00 0.00 C ATOM 982 C ALA A 85 3.605 2.227 -5.077 1.00 0.00 C ATOM 983 O ALA A 85 2.966 3.243 -4.802 1.00 0.00 O ATOM 984 CB ALA A 85 2.706 0.028 -4.291 1.00 0.00 C ATOM 0 H ALA A 85 2.801 2.116 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 85 4.747 0.663 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.786 -0.344 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.864 -0.793 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.713 0.451 -4.136 1.00 0.00 H new ATOM 990 N ARG A 86 4.194 2.037 -6.252 1.00 0.00 N ATOM 991 CA ARG A 86 4.124 3.037 -7.312 1.00 0.00 C ATOM 992 C ARG A 86 3.696 2.402 -8.631 1.00 0.00 C ATOM 993 O ARG A 86 4.475 1.700 -9.276 1.00 0.00 O ATOM 994 CB ARG A 86 5.479 3.726 -7.481 1.00 0.00 C ATOM 995 CG ARG A 86 5.376 5.160 -7.975 1.00 0.00 C ATOM 996 CD ARG A 86 6.530 6.009 -7.467 1.00 0.00 C ATOM 997 NE ARG A 86 6.853 7.099 -8.384 1.00 0.00 N ATOM 998 CZ ARG A 86 7.993 7.780 -8.344 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.914 7.485 -7.437 1.00 0.00 N ATOM 1000 NH2 ARG A 86 8.214 8.759 -9.212 1.00 0.00 N ATOM 0 H ARG A 86 4.725 1.201 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 86 3.379 3.780 -7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.003 3.717 -6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.084 3.152 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.367 5.171 -9.065 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.432 5.593 -7.645 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.275 6.421 -6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.409 5.380 -7.328 1.00 0.00 H new ATOM 0 HE ARG A 86 6.166 7.351 -9.094 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.748 6.733 -6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.788 8.010 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.508 8.990 -9.911 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.090 9.281 -9.180 1.00 0.00 H new ATOM 1014 N TYR A 87 2.453 2.654 -9.026 1.00 0.00 N ATOM 1015 CA TYR A 87 1.919 2.105 -10.268 1.00 0.00 C ATOM 1016 C TYR A 87 2.409 2.904 -11.472 1.00 0.00 C ATOM 1017 O TYR A 87 2.811 4.060 -11.341 1.00 0.00 O ATOM 1018 CB TYR A 87 0.390 2.100 -10.232 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.194 0.954 -9.439 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.396 1.064 -8.068 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.542 -0.240 -10.058 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.929 0.018 -7.339 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.077 -1.290 -9.338 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.268 -1.156 -7.978 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.799 -2.200 -7.255 1.00 0.00 O ATOM 0 H TYR A 87 1.796 3.235 -8.505 1.00 0.00 H new ATOM 0 HA TYR A 87 2.276 1.080 -10.366 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.042 3.041 -9.805 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.011 2.054 -11.253 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.132 1.982 -7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.391 -0.349 -11.122 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.079 0.119 -6.274 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.344 -2.210 -9.836 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.984 -2.953 -7.855 1.00 0.00 H new ATOM 1035 N ARG A 88 2.372 2.278 -12.644 1.00 0.00 N ATOM 1036 CA ARG A 88 2.813 2.928 -13.872 1.00 0.00 C ATOM 1037 C ARG A 88 1.785 3.954 -14.341 1.00 0.00 C ATOM 1038 O ARG A 88 2.125 4.921 -15.025 1.00 0.00 O ATOM 1039 CB ARG A 88 3.048 1.889 -14.968 1.00 0.00 C ATOM 1040 CG ARG A 88 3.357 2.496 -16.327 1.00 0.00 C ATOM 1041 CD ARG A 88 4.695 3.218 -16.325 1.00 0.00 C ATOM 1042 NE ARG A 88 4.842 4.102 -17.478 1.00 0.00 N ATOM 1043 CZ ARG A 88 5.015 3.666 -18.721 1.00 0.00 C ATOM 1044 NH1 ARG A 88 5.061 2.364 -18.970 1.00 0.00 N ATOM 1045 NH2 ARG A 88 5.141 4.533 -19.717 1.00 0.00 N ATOM 0 H ARG A 88 2.041 1.321 -12.769 1.00 0.00 H new ATOM 0 HA ARG A 88 3.750 3.445 -13.665 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.874 1.242 -14.672 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.164 1.258 -15.054 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.367 1.711 -17.083 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.566 3.194 -16.603 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.792 3.799 -15.408 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.502 2.485 -16.325 1.00 0.00 H new ATOM 0 HE ARG A 88 4.810 5.109 -17.320 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.963 1.695 -18.206 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.194 2.032 -19.925 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.105 5.535 -19.529 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.274 4.198 -20.671 1.00 0.00 H new ATOM 1059 N THR A 89 0.528 3.738 -13.970 1.00 0.00 N ATOM 1060 CA THR A 89 -0.550 4.642 -14.354 1.00 0.00 C ATOM 1061 C THR A 89 -1.528 4.851 -13.204 1.00 0.00 C ATOM 1062 O THR A 89 -1.734 3.961 -12.379 1.00 0.00 O ATOM 1063 CB THR A 89 -1.319 4.110 -15.578 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.771 2.775 -15.331 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.442 4.132 -16.821 1.00 0.00 C ATOM 0 H THR A 89 0.230 2.944 -13.403 1.00 0.00 H new ATOM 0 HA THR A 89 -0.088 5.595 -14.611 1.00 0.00 H new ATOM 0 HB THR A 89 -2.179 4.758 -15.748 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.260 2.445 -16.113 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.007 3.752 -17.672 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.124 5.155 -17.024 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.435 3.505 -16.659 1.00 0.00 H new ATOM 1073 N THR A 90 -2.131 6.036 -13.154 1.00 0.00 N ATOM 1074 CA THR A 90 -3.087 6.362 -12.105 1.00 0.00 C ATOM 1075 C THR A 90 -4.271 5.401 -12.121 1.00 0.00 C ATOM 1076 O THR A 90 -4.643 4.844 -11.089 1.00 0.00 O ATOM 1077 CB THR A 90 -3.610 7.804 -12.250 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.529 8.687 -12.568 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.290 8.265 -10.970 1.00 0.00 C ATOM 0 H THR A 90 -1.973 6.785 -13.828 1.00 0.00 H new ATOM 0 HA THR A 90 -2.559 6.268 -11.156 1.00 0.00 H new ATOM 0 HB THR A 90 -4.342 7.822 -13.057 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.870 9.601 -12.660 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.651 9.286 -11.097 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.131 7.608 -10.748 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.576 8.232 -10.147 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.856 5.210 -13.299 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.999 4.316 -13.448 1.00 0.00 C ATOM 1089 C GLU A 91 -5.771 3.013 -12.686 1.00 0.00 C ATOM 1090 O GLU A 91 -6.640 2.557 -11.944 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.251 4.017 -14.927 1.00 0.00 C ATOM 1092 CG GLU A 91 -5.252 3.045 -15.531 1.00 0.00 C ATOM 1093 CD GLU A 91 -5.362 2.959 -17.041 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -4.864 3.879 -17.725 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -5.946 1.975 -17.540 1.00 0.00 O ATOM 0 H GLU A 91 -4.558 5.662 -14.164 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.875 4.813 -13.031 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.256 3.609 -15.040 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.221 4.951 -15.488 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.242 3.353 -15.261 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.409 2.055 -15.102 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.597 2.420 -12.878 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.256 1.169 -12.210 1.00 0.00 C ATOM 1104 C GLU A 92 -4.304 1.331 -10.693 1.00 0.00 C ATOM 1105 O GLU A 92 -5.034 0.619 -10.005 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.866 0.697 -12.640 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.847 0.017 -13.998 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.937 -1.028 -14.142 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -4.275 -1.677 -13.130 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -4.452 -1.196 -15.268 1.00 0.00 O ATOM 0 H GLU A 92 -3.867 2.785 -13.490 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.992 0.420 -12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.192 1.553 -12.662 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.479 0.006 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.964 0.769 -14.778 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.876 -0.453 -14.151 1.00 0.00 H new ATOM 1117 N SER A 93 -3.519 2.272 -10.180 1.00 0.00 N ATOM 1118 CA SER A 93 -3.467 2.526 -8.745 1.00 0.00 C ATOM 1119 C SER A 93 -4.865 2.476 -8.133 1.00 0.00 C ATOM 1120 O SER A 93 -5.112 1.739 -7.180 1.00 0.00 O ATOM 1121 CB SER A 93 -2.826 3.888 -8.469 1.00 0.00 C ATOM 1122 OG SER A 93 -3.205 4.381 -7.195 1.00 0.00 O ATOM 0 H SER A 93 -2.910 2.872 -10.737 1.00 0.00 H new ATOM 0 HA SER A 93 -2.859 1.747 -8.285 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.741 3.800 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.125 4.597 -9.241 1.00 0.00 H new ATOM 0 HG SER A 93 -2.660 5.164 -6.972 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.775 3.266 -8.691 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.149 3.313 -8.203 1.00 0.00 C ATOM 1130 C LYS A 94 -7.778 1.924 -8.215 1.00 0.00 C ATOM 1131 O LYS A 94 -8.361 1.488 -7.222 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.983 4.270 -9.059 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.759 5.735 -8.728 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.966 6.619 -9.946 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.445 6.840 -10.229 1.00 0.00 C ATOM 1136 NZ LYS A 94 -10.145 7.454 -9.067 1.00 0.00 N ATOM 0 H LYS A 94 -5.587 3.883 -9.481 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.131 3.676 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.747 4.104 -10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.039 4.034 -8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.443 6.039 -7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.748 5.872 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.477 7.580 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.493 6.161 -10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.556 7.484 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.914 5.887 -10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.022 7.909 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.375 6.716 -8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.528 8.166 -8.626 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.654 1.233 -9.343 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.210 -0.107 -9.483 1.00 0.00 C ATOM 1152 C ARG A 95 -7.796 -0.993 -8.312 1.00 0.00 C ATOM 1153 O ARG A 95 -8.591 -1.788 -7.809 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.752 -0.738 -10.799 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.081 -2.218 -10.912 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.123 -2.931 -11.853 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.606 -2.929 -13.231 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.615 -3.680 -13.658 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -9.245 -4.489 -12.816 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.997 -3.624 -14.927 1.00 0.00 N ATOM 0 H ARG A 95 -7.173 1.579 -10.173 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.297 -0.023 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.218 -0.206 -11.629 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.675 -0.605 -10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.034 -2.679 -9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.103 -2.338 -11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.147 -2.448 -11.810 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.985 -3.959 -11.519 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.143 -2.317 -13.903 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.955 -4.535 -11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.020 -5.065 -13.145 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.516 -3.003 -15.578 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.772 -4.202 -15.252 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.547 -0.850 -7.882 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.028 -1.636 -6.769 1.00 0.00 C ATOM 1176 C ALA A 96 -6.481 -1.060 -5.431 1.00 0.00 C ATOM 1177 O ALA A 96 -6.726 -1.798 -4.477 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.509 -1.699 -6.830 1.00 0.00 C ATOM 0 H ALA A 96 -5.876 -0.198 -8.287 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.427 -2.647 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.135 -2.289 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.201 -2.163 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.100 -0.690 -6.774 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.592 0.263 -5.369 1.00 0.00 N ATOM 1185 CA TYR A 97 -7.013 0.938 -4.147 1.00 0.00 C ATOM 1186 C TYR A 97 -8.442 0.552 -3.777 1.00 0.00 C ATOM 1187 O TYR A 97 -8.779 0.430 -2.599 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.911 2.454 -4.317 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.725 3.232 -3.307 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.229 3.490 -2.035 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.990 3.711 -3.628 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.970 4.200 -1.111 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.737 4.424 -2.710 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.223 4.664 -1.452 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.964 5.374 -0.534 1.00 0.00 O ATOM 0 H TYR A 97 -6.396 0.889 -6.150 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.350 0.624 -3.341 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.865 2.751 -4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.241 2.722 -5.321 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.248 3.129 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.396 3.523 -4.611 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.570 4.391 -0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.717 4.791 -2.975 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.822 5.629 -0.933 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.278 0.359 -4.791 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.671 -0.015 -4.575 1.00 0.00 C ATOM 1207 C VAL A 98 -10.832 -1.531 -4.529 1.00 0.00 C ATOM 1208 O VAL A 98 -11.825 -2.046 -4.013 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.583 0.553 -5.677 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.045 0.428 -5.279 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.224 2.003 -5.970 1.00 0.00 C ATOM 0 H VAL A 98 -9.015 0.455 -5.772 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.967 0.409 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.429 -0.028 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.674 0.835 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.291 -0.622 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.220 0.982 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.878 2.389 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.348 2.599 -5.066 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.188 2.061 -6.303 1.00 0.00 H new ATOM 1221 N THR A 99 -9.848 -2.242 -5.072 1.00 0.00 N ATOM 1222 CA THR A 99 -9.880 -3.699 -5.093 1.00 0.00 C ATOM 1223 C THR A 99 -9.044 -4.285 -3.962 1.00 0.00 C ATOM 1224 O THR A 99 -9.568 -4.949 -3.068 1.00 0.00 O ATOM 1225 CB THR A 99 -9.367 -4.252 -6.437 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.323 -3.993 -7.471 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.106 -5.747 -6.342 1.00 0.00 C ATOM 0 H THR A 99 -9.019 -1.832 -5.503 1.00 0.00 H new ATOM 0 HA THR A 99 -10.921 -3.994 -4.960 1.00 0.00 H new ATOM 0 HB THR A 99 -8.430 -3.750 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.071 -3.177 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.745 -6.115 -7.302 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.355 -5.937 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.031 -6.262 -6.081 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.739 -4.033 -4.006 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.829 -4.536 -2.983 1.00 0.00 C ATOM 1237 C LEU A 100 -7.291 -4.120 -1.590 1.00 0.00 C ATOM 1238 O LEU A 100 -7.359 -4.941 -0.677 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.411 -4.021 -3.238 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.888 -4.171 -4.666 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.417 -3.791 -4.739 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.099 -5.593 -5.165 1.00 0.00 C ATOM 0 H LEU A 100 -7.289 -3.484 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.829 -5.625 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.376 -2.965 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.730 -4.544 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.449 -3.494 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.062 -3.904 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.293 -2.755 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.840 -4.441 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.721 -5.681 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.565 -6.289 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.163 -5.829 -5.152 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.611 -2.839 -1.437 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.069 -2.314 -0.156 1.00 0.00 C ATOM 1256 C ASN A 101 -9.260 -3.112 0.365 1.00 0.00 C ATOM 1257 O ASN A 101 -10.299 -3.192 -0.289 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.450 -0.838 -0.293 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.637 -0.162 1.051 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.046 -0.795 2.026 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.339 1.130 1.112 1.00 0.00 N ATOM 0 H ASN A 101 -7.562 -2.146 -2.184 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.252 -2.407 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.675 -0.316 -0.854 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.371 -0.755 -0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.446 1.637 1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.003 1.616 0.280 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.102 -3.700 1.546 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.172 -4.484 2.134 1.00 0.00 C ATOM 1270 C GLY A 102 -10.106 -5.945 1.737 1.00 0.00 C ATOM 1271 O GLY A 102 -10.827 -6.779 2.288 1.00 0.00 O ATOM 0 H GLY A 102 -8.252 -3.648 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.123 -4.403 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.132 -4.070 1.827 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.241 -6.258 0.779 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.083 -7.628 0.307 1.00 0.00 C ATOM 1277 C LYS A 103 -8.270 -8.454 1.299 1.00 0.00 C ATOM 1278 O LYS A 103 -7.363 -7.940 1.952 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.403 -7.643 -1.064 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.516 -8.976 -1.784 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.585 -9.041 -2.983 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.779 -10.329 -3.770 1.00 0.00 C ATOM 1283 NZ LYS A 103 -7.161 -11.497 -3.083 1.00 0.00 N ATOM 0 H LYS A 103 -8.638 -5.580 0.313 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.075 -8.072 0.218 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.843 -6.864 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.349 -7.394 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.279 -9.785 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.544 -9.128 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.767 -8.185 -3.633 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.551 -8.971 -2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.844 -10.512 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.341 -10.218 -4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.315 -12.355 -3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.140 -11.334 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.596 -11.619 -2.146 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.600 -9.739 1.404 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.898 -10.634 2.316 1.00 0.00 C ATOM 1299 C GLU A 104 -6.771 -11.370 1.595 1.00 0.00 C ATOM 1300 O GLU A 104 -6.953 -11.877 0.489 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.874 -11.643 2.925 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.512 -11.168 4.219 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.126 -12.301 5.017 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.007 -13.001 4.476 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -9.724 -12.489 6.186 1.00 0.00 O ATOM 0 H GLU A 104 -9.348 -10.182 0.870 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.463 -10.032 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.659 -11.859 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.347 -12.579 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.760 -10.666 4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.282 -10.431 3.991 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.606 -11.424 2.233 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.450 -12.098 1.655 1.00 0.00 C ATOM 1314 C VAL A 105 -3.760 -12.987 2.684 1.00 0.00 C ATOM 1315 O VAL A 105 -3.480 -12.558 3.803 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.429 -11.086 1.102 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -4.008 -10.342 -0.092 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -3.001 -10.113 2.191 1.00 0.00 C ATOM 0 H VAL A 105 -5.438 -11.009 3.150 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.821 -12.715 0.836 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.547 -11.632 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.273 -9.631 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.260 -11.055 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.907 -9.806 0.214 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.280 -9.405 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.873 -9.572 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.544 -10.665 3.012 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.489 -14.230 2.298 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.831 -15.180 3.185 1.00 0.00 C ATOM 1330 C VAL A 106 -1.345 -14.870 3.318 1.00 0.00 C ATOM 1331 O VAL A 106 -0.572 -15.069 2.380 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.999 -16.627 2.683 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.981 -17.544 3.345 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.417 -17.117 2.938 1.00 0.00 C ATOM 0 H VAL A 106 -3.716 -14.602 1.376 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.308 -15.084 4.160 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.821 -16.644 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.115 -18.562 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.974 -17.202 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.124 -17.526 4.425 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.519 -18.141 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.626 -17.087 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.124 -16.475 2.412 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.950 -14.382 4.489 1.00 0.00 N ATOM 1345 CA ASP A 107 0.445 -14.045 4.746 1.00 0.00 C ATOM 1346 C ASP A 107 1.318 -15.295 4.728 1.00 0.00 C ATOM 1347 O ASP A 107 0.817 -16.413 4.599 1.00 0.00 O ATOM 1348 CB ASP A 107 0.580 -13.332 6.092 1.00 0.00 C ATOM 1349 CG ASP A 107 0.556 -14.296 7.262 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.436 -15.043 7.395 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.528 -14.303 8.046 1.00 0.00 O ATOM 0 H ASP A 107 -1.577 -14.211 5.275 1.00 0.00 H new ATOM 0 HA ASP A 107 0.783 -13.376 3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.512 -12.767 6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.231 -12.612 6.201 1.00 0.00 H new ATOM 1356 N ASP A 108 2.626 -15.100 4.856 1.00 0.00 N ATOM 1357 CA ASP A 108 3.570 -16.211 4.855 1.00 0.00 C ATOM 1358 C ASP A 108 3.189 -17.248 5.908 1.00 0.00 C ATOM 1359 O ASP A 108 3.414 -18.446 5.725 1.00 0.00 O ATOM 1360 CB ASP A 108 4.990 -15.704 5.111 1.00 0.00 C ATOM 1361 CG ASP A 108 6.047 -16.651 4.581 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.239 -17.726 5.186 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.685 -16.316 3.560 1.00 0.00 O ATOM 0 H ASP A 108 3.057 -14.182 4.962 1.00 0.00 H new ATOM 0 HA ASP A 108 3.534 -16.685 3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.114 -14.727 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.135 -15.565 6.182 1.00 0.00 H new ATOM 1368 N LEU A 109 2.613 -16.781 7.010 1.00 0.00 N ATOM 1369 CA LEU A 109 2.203 -17.667 8.094 1.00 0.00 C ATOM 1370 C LEU A 109 1.042 -18.557 7.659 1.00 0.00 C ATOM 1371 O LEU A 109 0.940 -19.709 8.075 1.00 0.00 O ATOM 1372 CB LEU A 109 1.800 -16.850 9.322 1.00 0.00 C ATOM 1373 CG LEU A 109 2.887 -15.954 9.917 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.351 -15.188 11.116 1.00 0.00 C ATOM 1375 CD2 LEU A 109 4.104 -16.780 10.310 1.00 0.00 C ATOM 0 H LEU A 109 2.419 -15.794 7.177 1.00 0.00 H new ATOM 0 HA LEU A 109 3.050 -18.303 8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.948 -16.225 9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.460 -17.538 10.096 1.00 0.00 H new ATOM 0 HG LEU A 109 3.192 -15.233 9.158 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.139 -14.556 11.526 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.512 -14.566 10.805 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.018 -15.892 11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.867 -16.126 10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.814 -17.524 11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.503 -17.282 9.429 1.00 0.00 H new ATOM 1387 N GLY A 110 0.170 -18.013 6.814 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.970 -18.772 6.335 1.00 0.00 C ATOM 1389 C GLY A 110 -2.289 -18.214 6.832 1.00 0.00 C ATOM 1390 O GLY A 110 -3.335 -18.842 6.672 1.00 0.00 O ATOM 0 H GLY A 110 0.233 -17.061 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.968 -18.775 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.873 -19.809 6.657 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.238 -17.032 7.437 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.438 -16.390 7.961 1.00 0.00 C ATOM 1396 C GLN A 111 -3.908 -15.273 7.035 1.00 0.00 C ATOM 1397 O GLN A 111 -3.096 -14.534 6.476 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.174 -15.833 9.360 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.760 -16.891 10.369 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.124 -16.516 11.792 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.300 -16.357 12.122 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.116 -16.373 12.643 1.00 0.00 N ATOM 0 H GLN A 111 -1.379 -16.500 7.577 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.225 -17.142 8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.392 -15.076 9.299 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.074 -15.334 9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.237 -17.837 10.114 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.683 -17.049 10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.157 -16.515 12.326 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.300 -16.122 13.614 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.221 -15.155 6.876 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.800 -14.127 6.018 1.00 0.00 C ATOM 1413 C LYS A 112 -5.805 -12.774 6.720 1.00 0.00 C ATOM 1414 O LYS A 112 -6.398 -12.619 7.788 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.225 -14.512 5.617 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.289 -15.660 4.625 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.611 -15.677 3.875 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.455 -16.265 2.482 1.00 0.00 C ATOM 1419 NZ LYS A 112 -9.765 -16.658 1.896 1.00 0.00 N ATOM 0 H LYS A 112 -5.906 -15.759 7.330 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.186 -14.049 5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.784 -14.785 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.720 -13.642 5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.467 -15.574 3.914 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.156 -16.605 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.342 -16.259 4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.001 -14.662 3.801 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -7.971 -15.536 1.832 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.801 -17.136 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.616 -17.054 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.216 -17.372 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.380 -15.822 1.829 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.142 -11.794 6.113 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.073 -10.453 6.679 1.00 0.00 C ATOM 1435 C ILE A 113 -5.725 -9.432 5.753 1.00 0.00 C ATOM 1436 O ILE A 113 -5.587 -9.506 4.533 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.617 -10.030 6.948 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.838 -11.181 7.586 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.580 -8.798 7.841 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.402 -10.831 7.911 1.00 0.00 C ATOM 0 H ILE A 113 -4.645 -11.905 5.229 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.615 -10.481 7.624 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.145 -9.780 5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.345 -11.489 8.501 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.851 -12.037 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.544 -8.511 8.022 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.103 -7.977 7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.066 -9.022 8.791 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.910 -11.694 8.361 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.880 -10.551 6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.381 -9.996 8.611 1.00 0.00 H new ATOM 1452 N THR A 114 -6.437 -8.475 6.344 1.00 0.00 N ATOM 1453 CA THR A 114 -7.110 -7.439 5.573 1.00 0.00 C ATOM 1454 C THR A 114 -6.211 -6.222 5.385 1.00 0.00 C ATOM 1455 O THR A 114 -6.014 -5.434 6.312 1.00 0.00 O ATOM 1456 CB THR A 114 -8.420 -6.996 6.252 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.190 -8.143 6.627 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.238 -6.110 5.324 1.00 0.00 C ATOM 0 H THR A 114 -6.561 -8.398 7.353 1.00 0.00 H new ATOM 0 HA THR A 114 -7.342 -7.870 4.599 1.00 0.00 H new ATOM 0 HB THR A 114 -8.165 -6.423 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 114 -10.020 -7.853 7.059 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.158 -5.810 5.825 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.660 -5.223 5.065 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.483 -6.662 4.416 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.669 -6.073 4.182 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.791 -4.950 3.873 1.00 0.00 C ATOM 1468 C LEU A 115 -5.592 -3.753 3.373 1.00 0.00 C ATOM 1469 O LEU A 115 -6.536 -3.906 2.595 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.757 -5.361 2.823 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.161 -6.760 2.978 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -2.162 -7.042 1.867 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.502 -6.911 4.342 1.00 0.00 C ATOM 0 H LEU A 115 -5.822 -6.715 3.405 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.276 -4.661 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.221 -5.293 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.942 -4.637 2.842 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.969 -7.488 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.749 -8.042 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.664 -6.977 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.356 -6.309 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.083 -7.913 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.706 -6.174 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.245 -6.754 5.124 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.210 -2.563 3.821 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.894 -1.339 3.418 1.00 0.00 C ATOM 1487 C TYR A 116 -4.957 -0.423 2.638 1.00 0.00 C ATOM 1488 O TYR A 116 -3.904 -0.020 3.137 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.437 -0.606 4.646 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.731 -1.183 5.173 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.746 -2.380 5.877 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.940 -0.530 4.965 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.926 -2.912 6.359 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.126 -1.053 5.446 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.114 -2.244 6.141 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.292 -2.769 6.621 1.00 0.00 O ATOM 0 H TYR A 116 -4.431 -2.419 4.463 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.726 -1.614 2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.687 -0.635 5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.593 0.443 4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.818 -2.904 6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.953 0.401 4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.919 -3.845 6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.057 -0.532 5.278 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.035 -2.176 6.383 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.345 -0.095 1.411 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.541 0.775 0.560 1.00 0.00 C ATOM 1508 C LEU A 117 -5.105 2.193 0.544 1.00 0.00 C ATOM 1509 O LEU A 117 -6.294 2.396 0.304 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.488 0.220 -0.865 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.505 -0.928 -1.100 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.098 -2.245 -0.622 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.129 -1.015 -2.572 1.00 0.00 C ATOM 0 H LEU A 117 -6.212 -0.419 0.983 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.531 0.809 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.487 -0.121 -1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.233 1.035 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.601 -0.730 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.385 -3.050 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.317 -2.180 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.018 -2.450 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.429 -1.837 -2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.026 -1.190 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.663 -0.081 -2.884 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.240 3.170 0.800 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.651 4.569 0.813 1.00 0.00 C ATOM 1527 C ASN A 118 -3.897 5.368 -0.245 1.00 0.00 C ATOM 1528 O ASN A 118 -2.770 5.029 -0.609 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.413 5.179 2.195 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.573 4.941 3.141 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.443 4.225 4.135 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.719 5.540 2.836 1.00 0.00 N ATOM 0 H ASN A 118 -3.252 3.018 1.001 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.716 4.611 0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.505 4.755 2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.246 6.251 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.535 5.415 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.783 6.125 2.003 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.525 6.431 -0.736 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.914 7.280 -1.752 1.00 0.00 C ATOM 1541 C PHE A 119 -2.892 8.226 -1.129 1.00 0.00 C ATOM 1542 O PHE A 119 -3.252 9.175 -0.432 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.986 8.082 -2.490 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.768 7.270 -3.482 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.117 6.463 -4.402 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.152 7.313 -3.495 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.834 5.714 -5.316 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.874 6.565 -4.406 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.214 5.765 -5.319 1.00 0.00 C ATOM 0 H PHE A 119 -5.458 6.725 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.398 6.636 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.674 8.510 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.512 8.915 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.038 6.419 -4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.673 7.938 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.315 5.089 -6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.953 6.606 -4.404 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.776 5.181 -6.033 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.614 7.960 -1.383 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.540 8.787 -0.848 1.00 0.00 C ATOM 1561 C VAL A 120 0.045 9.693 -1.925 1.00 0.00 C ATOM 1562 O VAL A 120 0.306 9.254 -3.045 1.00 0.00 O ATOM 1563 CB VAL A 120 0.588 7.925 -0.251 1.00 0.00 C ATOM 1564 CG1 VAL A 120 0.040 6.997 0.822 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.289 7.134 -1.345 1.00 0.00 C ATOM 0 H VAL A 120 -1.298 7.178 -1.956 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.976 9.400 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 120 1.320 8.586 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.851 6.396 1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.412 7.588 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.713 6.341 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.083 6.530 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.570 6.482 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.717 7.822 -2.074 1.00 0.00 H new ATOM 1575 N GLU A 121 0.247 10.961 -1.579 1.00 0.00 N ATOM 1576 CA GLU A 121 0.800 11.929 -2.519 1.00 0.00 C ATOM 1577 C GLU A 121 2.326 11.920 -2.474 1.00 0.00 C ATOM 1578 O GLU A 121 2.990 11.959 -3.510 1.00 0.00 O ATOM 1579 CB GLU A 121 0.278 13.334 -2.205 1.00 0.00 C ATOM 1580 CG GLU A 121 0.224 13.645 -0.719 1.00 0.00 C ATOM 1581 CD GLU A 121 -0.024 15.114 -0.439 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.862 15.936 -0.755 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -1.104 15.443 0.095 1.00 0.00 O ATOM 0 H GLU A 121 0.036 11.341 -0.656 1.00 0.00 H new ATOM 0 HA GLU A 121 0.481 11.646 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 121 0.915 14.068 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.721 13.444 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.565 13.053 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.163 13.344 -0.254 1.00 0.00 H new ATOM 1590 N LYS A 122 2.876 11.871 -1.265 1.00 0.00 N ATOM 1591 CA LYS A 122 4.322 11.856 -1.082 1.00 0.00 C ATOM 1592 C LYS A 122 4.756 10.637 -0.273 1.00 0.00 C ATOM 1593 O LYS A 122 4.096 10.254 0.693 1.00 0.00 O ATOM 1594 CB LYS A 122 4.780 13.136 -0.380 1.00 0.00 C ATOM 1595 CG LYS A 122 3.992 13.456 0.877 1.00 0.00 C ATOM 1596 CD LYS A 122 4.665 14.546 1.695 1.00 0.00 C ATOM 1597 CE LYS A 122 3.876 14.865 2.956 1.00 0.00 C ATOM 1598 NZ LYS A 122 2.720 15.760 2.675 1.00 0.00 N ATOM 0 H LYS A 122 2.341 11.841 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 122 4.787 11.801 -2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.835 13.042 -0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.695 13.972 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 122 2.985 13.773 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.890 12.556 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.672 14.230 1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.765 15.447 1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.517 13.938 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.533 15.339 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.208 15.954 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.064 16.654 2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.080 15.298 1.998 1.00 0.00 H new ATOM 1612 N VAL A 123 5.870 10.032 -0.675 1.00 0.00 N ATOM 1613 CA VAL A 123 6.392 8.859 0.014 1.00 0.00 C ATOM 1614 C VAL A 123 7.914 8.903 0.098 1.00 0.00 C ATOM 1615 O VAL A 123 8.584 9.333 -0.841 1.00 0.00 O ATOM 1616 CB VAL A 123 5.966 7.558 -0.691 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.575 6.349 0.004 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.449 7.449 -0.737 1.00 0.00 C ATOM 0 H VAL A 123 6.427 10.335 -1.474 1.00 0.00 H new ATOM 0 HA VAL A 123 5.974 8.872 1.021 1.00 0.00 H new ATOM 0 HB VAL A 123 6.337 7.583 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.263 5.439 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.662 6.424 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.237 6.316 1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.166 6.524 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.053 7.447 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.040 8.298 -1.284 1.00 0.00 H new ATOM 1628 N GLN A 124 8.453 8.455 1.227 1.00 0.00 N ATOM 1629 CA GLN A 124 9.896 8.445 1.434 1.00 0.00 C ATOM 1630 C GLN A 124 10.551 7.322 0.635 1.00 0.00 C ATOM 1631 O GLN A 124 10.950 6.301 1.196 1.00 0.00 O ATOM 1632 CB GLN A 124 10.220 8.286 2.920 1.00 0.00 C ATOM 1633 CG GLN A 124 9.835 9.494 3.759 1.00 0.00 C ATOM 1634 CD GLN A 124 10.514 9.503 5.114 1.00 0.00 C ATOM 1635 OE1 GLN A 124 11.708 9.222 5.226 1.00 0.00 O ATOM 1636 NE2 GLN A 124 9.754 9.826 6.155 1.00 0.00 N ATOM 0 H GLN A 124 7.912 8.094 2.013 1.00 0.00 H new ATOM 0 HA GLN A 124 10.295 9.397 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 124 9.702 7.407 3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.288 8.101 3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 124 10.096 10.404 3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.754 9.505 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.769 10.052 6.017 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.156 9.848 7.092 1.00 0.00 H new ATOM 1645 N TRP A 125 10.659 7.519 -0.673 1.00 0.00 N ATOM 1646 CA TRP A 125 11.266 6.522 -1.549 1.00 0.00 C ATOM 1647 C TRP A 125 12.760 6.394 -1.274 1.00 0.00 C ATOM 1648 O TRP A 125 13.432 7.381 -0.972 1.00 0.00 O ATOM 1649 CB TRP A 125 11.034 6.891 -3.014 1.00 0.00 C ATOM 1650 CG TRP A 125 9.593 6.831 -3.421 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.755 7.888 -3.633 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.820 5.649 -3.663 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.508 7.435 -3.992 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.523 6.065 -4.019 1.00 0.00 C ATOM 1655 CE3 TRP A 125 9.099 4.281 -3.616 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.508 5.163 -4.323 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 8.091 3.385 -3.919 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.808 3.829 -4.270 1.00 0.00 C ATOM 0 H TRP A 125 10.335 8.359 -1.151 1.00 0.00 H new ATOM 0 HA TRP A 125 10.794 5.561 -1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.413 7.897 -3.192 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.611 6.217 -3.647 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.031 8.927 -3.533 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.702 8.023 -4.204 1.00 0.00 H new ATOM 0 HE3 TRP A 125 10.084 3.930 -3.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.519 5.504 -4.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 8.295 2.325 -3.885 1.00 0.00 H new ATOM 0 HH2 TRP A 125 6.042 3.104 -4.503 1.00 0.00 H new