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 76 MET CE :methyl 177:sc= -0.0777 (180deg=-0.0865) USER MOD Set 1.2: A 83 SER OG : rot -172:sc= -0.551 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -30:sc= -0.208 USER MOD Single : A 42 THR OG1 : rot 116:sc= 0.942 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 49 ASN : amide:sc= -0.0311 K(o=-0.031,f=-2.3!) USER MOD Single : A 54 ASN : amide:sc= -0.961 X(o=-0.96,f=-0.61) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.765 X(o=-0.77,f=-1.1) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.954 F(o=-1.5,f=-0.95) USER MOD Single : A 67 LYS NZ :NH3+ -113:sc= -0.679 (180deg=-2.58!) USER MOD Single : A 68 CYS SG : rot -130:sc= -2.17! USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 150:sc= -2.35 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.338 USER MOD Single : A 89 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 93 SER OG : rot 168:sc= 0.819 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 90:sc= 1.18 USER MOD Single : A 101 ASN : amide:sc= -2.01 K(o=-2,f=-7.3!) USER MOD Single : A 103 LYS NZ :NH3+ -168:sc=-0.00396 (180deg=-0.122) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) 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 118 ASN : amide:sc= -0.0803 K(o=-0.08,f=-2.1!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.117 K(o=-0.12,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.364 8.441 9.323 1.00 0.00 N ATOM 231 CA ILE A 35 1.206 8.427 7.874 1.00 0.00 C ATOM 232 C ILE A 35 0.047 9.319 7.440 1.00 0.00 C ATOM 233 O ILE A 35 -1.083 9.152 7.898 1.00 0.00 O ATOM 234 CB ILE A 35 0.966 7.001 7.347 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.164 6.106 7.674 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.712 7.026 5.847 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.886 4.631 7.483 1.00 0.00 C ATOM 0 HA ILE A 35 2.135 8.809 7.451 1.00 0.00 H new ATOM 0 HB ILE A 35 0.084 6.591 7.839 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.005 6.394 7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.466 6.280 8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.544 6.010 5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.168 7.635 5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.577 7.451 5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.778 4.057 7.733 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.066 4.328 8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.613 4.444 6.444 1.00 0.00 H new ATOM 249 N GLU A 36 0.335 10.264 6.550 1.00 0.00 N ATOM 250 CA GLU A 36 -0.684 11.181 6.053 1.00 0.00 C ATOM 251 C GLU A 36 -1.052 10.854 4.609 1.00 0.00 C ATOM 252 O GLU A 36 -0.243 11.022 3.696 1.00 0.00 O ATOM 253 CB GLU A 36 -0.192 12.627 6.150 1.00 0.00 C ATOM 254 CG GLU A 36 0.112 13.071 7.571 1.00 0.00 C ATOM 255 CD GLU A 36 0.812 14.416 7.625 1.00 0.00 C ATOM 256 OE1 GLU A 36 0.286 15.381 7.033 1.00 0.00 O ATOM 257 OE2 GLU A 36 1.885 14.502 8.258 1.00 0.00 O ATOM 0 H GLU A 36 1.265 10.414 6.159 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.574 11.065 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.707 12.738 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.947 13.288 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.818 13.127 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.736 12.321 8.056 1.00 0.00 H new ATOM 264 N THR A 37 -2.279 10.383 4.409 1.00 0.00 N ATOM 265 CA THR A 37 -2.755 10.030 3.077 1.00 0.00 C ATOM 266 C THR A 37 -3.757 11.056 2.562 1.00 0.00 C ATOM 267 O THR A 37 -4.554 11.599 3.327 1.00 0.00 O ATOM 268 CB THR A 37 -3.412 8.637 3.067 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.643 8.671 3.799 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.484 7.596 3.673 1.00 0.00 C ATOM 0 H THR A 37 -2.961 10.237 5.153 1.00 0.00 H new ATOM 0 HA THR A 37 -1.884 10.017 2.422 1.00 0.00 H new ATOM 0 HB THR A 37 -3.613 8.362 2.032 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.055 7.782 3.787 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.970 6.621 3.655 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.560 7.552 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.255 7.868 4.703 1.00 0.00 H new ATOM 278 N VAL A 38 -3.712 11.318 1.259 1.00 0.00 N ATOM 279 CA VAL A 38 -4.618 12.279 0.641 1.00 0.00 C ATOM 280 C VAL A 38 -5.960 11.635 0.312 1.00 0.00 C ATOM 281 O VAL A 38 -6.203 10.475 0.645 1.00 0.00 O ATOM 282 CB VAL A 38 -4.015 12.870 -0.648 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.780 13.698 -0.328 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.683 11.763 -1.636 1.00 0.00 C ATOM 0 H VAL A 38 -3.058 10.878 0.612 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.770 13.081 1.363 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.754 13.526 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.368 14.107 -1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.052 14.514 0.341 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.034 13.067 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.258 12.198 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.961 11.080 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.591 11.216 -1.889 1.00 0.00 H new ATOM 294 N SER A 39 -6.830 12.396 -0.346 1.00 0.00 N ATOM 295 CA SER A 39 -8.150 11.901 -0.718 1.00 0.00 C ATOM 296 C SER A 39 -8.212 11.587 -2.210 1.00 0.00 C ATOM 297 O SER A 39 -8.794 10.584 -2.621 1.00 0.00 O ATOM 298 CB SER A 39 -9.224 12.929 -0.356 1.00 0.00 C ATOM 299 OG SER A 39 -10.516 12.347 -0.384 1.00 0.00 O ATOM 0 H SER A 39 -6.644 13.357 -0.632 1.00 0.00 H new ATOM 0 HA SER A 39 -8.336 10.981 -0.163 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.025 13.333 0.636 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.183 13.764 -1.055 1.00 0.00 H new ATOM 0 HG SER A 39 -11.185 13.023 -0.148 1.00 0.00 H new ATOM 305 N TYR A 40 -7.608 12.454 -3.015 1.00 0.00 N ATOM 306 CA TYR A 40 -7.596 12.272 -4.462 1.00 0.00 C ATOM 307 C TYR A 40 -6.738 11.074 -4.853 1.00 0.00 C ATOM 308 O TYR A 40 -5.997 10.532 -4.033 1.00 0.00 O ATOM 309 CB TYR A 40 -7.074 13.534 -5.151 1.00 0.00 C ATOM 310 CG TYR A 40 -5.581 13.731 -5.002 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.039 14.213 -3.816 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.714 13.438 -6.047 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.677 14.395 -3.677 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.351 13.615 -5.915 1.00 0.00 C ATOM 315 CZ TYR A 40 -2.837 14.095 -4.728 1.00 0.00 C ATOM 316 OH TYR A 40 -1.480 14.275 -4.594 1.00 0.00 O ATOM 0 H TYR A 40 -7.121 13.289 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.619 12.085 -4.788 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.322 13.488 -6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.590 14.402 -4.740 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.694 14.449 -2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.113 13.065 -6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.272 14.771 -2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.691 13.379 -6.736 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.308 15.012 -3.971 1.00 0.00 H new ATOM 326 N ALA A 41 -6.845 10.665 -6.113 1.00 0.00 N ATOM 327 CA ALA A 41 -6.077 9.531 -6.616 1.00 0.00 C ATOM 328 C ALA A 41 -4.604 9.892 -6.771 1.00 0.00 C ATOM 329 O ALA A 41 -4.265 10.959 -7.285 1.00 0.00 O ATOM 330 CB ALA A 41 -6.648 9.053 -7.942 1.00 0.00 C ATOM 0 H ALA A 41 -7.455 11.101 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.151 8.722 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.065 8.207 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.685 8.746 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.604 9.863 -8.670 1.00 0.00 H new ATOM 336 N THR A 42 -3.729 8.995 -6.326 1.00 0.00 N ATOM 337 CA THR A 42 -2.292 9.220 -6.414 1.00 0.00 C ATOM 338 C THR A 42 -1.574 7.985 -6.945 1.00 0.00 C ATOM 339 O THR A 42 -1.834 6.867 -6.500 1.00 0.00 O ATOM 340 CB THR A 42 -1.697 9.597 -5.044 1.00 0.00 C ATOM 341 OG1 THR A 42 -1.796 8.486 -4.145 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.417 10.800 -4.454 1.00 0.00 C ATOM 0 H THR A 42 -3.991 8.106 -5.901 1.00 0.00 H new ATOM 0 HA THR A 42 -2.144 10.049 -7.106 1.00 0.00 H new ATOM 0 HB THR A 42 -0.648 9.856 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.897 8.179 -3.904 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.980 11.048 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.315 11.651 -5.127 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.473 10.564 -4.325 1.00 0.00 H new ATOM 350 N GLN A 43 -0.670 8.194 -7.896 1.00 0.00 N ATOM 351 CA GLN A 43 0.085 7.095 -8.487 1.00 0.00 C ATOM 352 C GLN A 43 0.683 6.203 -7.406 1.00 0.00 C ATOM 353 O GLN A 43 0.963 5.027 -7.642 1.00 0.00 O ATOM 354 CB GLN A 43 1.195 7.639 -9.389 1.00 0.00 C ATOM 355 CG GLN A 43 0.749 7.889 -10.820 1.00 0.00 C ATOM 356 CD GLN A 43 1.885 8.342 -11.715 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.607 9.286 -11.393 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.052 7.669 -12.848 1.00 0.00 N ATOM 0 H GLN A 43 -0.442 9.114 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.601 6.497 -9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.571 8.571 -8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.026 6.933 -9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.314 6.976 -11.226 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.036 8.645 -10.825 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.431 6.893 -13.076 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.801 7.928 -13.490 1.00 0.00 H new ATOM 367 N SER A 44 0.877 6.768 -6.219 1.00 0.00 N ATOM 368 CA SER A 44 1.447 6.024 -5.101 1.00 0.00 C ATOM 369 C SER A 44 0.351 5.542 -4.155 1.00 0.00 C ATOM 370 O SER A 44 -0.701 6.171 -4.032 1.00 0.00 O ATOM 371 CB SER A 44 2.448 6.895 -4.339 1.00 0.00 C ATOM 372 OG SER A 44 3.407 7.458 -5.216 1.00 0.00 O ATOM 0 H SER A 44 0.648 7.739 -6.006 1.00 0.00 H new ATOM 0 HA SER A 44 1.966 5.153 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.918 7.691 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.952 6.296 -3.581 1.00 0.00 H new ATOM 0 HG SER A 44 4.034 8.011 -4.704 1.00 0.00 H new ATOM 378 N LEU A 45 0.605 4.421 -3.490 1.00 0.00 N ATOM 379 CA LEU A 45 -0.359 3.851 -2.555 1.00 0.00 C ATOM 380 C LEU A 45 0.348 3.227 -1.356 1.00 0.00 C ATOM 381 O LEU A 45 1.405 2.611 -1.496 1.00 0.00 O ATOM 382 CB LEU A 45 -1.220 2.800 -3.256 1.00 0.00 C ATOM 383 CG LEU A 45 -2.167 3.321 -4.338 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.718 2.170 -5.165 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.301 4.122 -3.714 1.00 0.00 C ATOM 0 H LEU A 45 1.470 3.888 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.000 4.657 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.559 2.059 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.812 2.282 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.604 3.980 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.390 2.560 -5.930 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.895 1.638 -5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.265 1.485 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.965 4.485 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.862 3.486 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.889 4.970 -3.166 1.00 0.00 H new ATOM 397 N VAL A 46 -0.241 3.390 -0.176 1.00 0.00 N ATOM 398 CA VAL A 46 0.330 2.841 1.047 1.00 0.00 C ATOM 399 C VAL A 46 -0.443 1.612 1.512 1.00 0.00 C ATOM 400 O VAL A 46 -1.649 1.677 1.749 1.00 0.00 O ATOM 401 CB VAL A 46 0.342 3.885 2.180 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.069 4.130 2.694 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.259 3.436 3.308 1.00 0.00 C ATOM 0 H VAL A 46 -1.115 3.899 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 46 1.356 2.555 0.815 1.00 0.00 H new ATOM 0 HB VAL A 46 0.727 4.824 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.041 4.870 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.694 4.498 1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.484 3.197 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.256 4.185 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.906 2.485 3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.273 3.316 2.927 1.00 0.00 H new ATOM 413 N VAL A 47 0.260 0.490 1.639 1.00 0.00 N ATOM 414 CA VAL A 47 -0.360 -0.754 2.078 1.00 0.00 C ATOM 415 C VAL A 47 -0.373 -0.857 3.599 1.00 0.00 C ATOM 416 O VAL A 47 0.677 -0.945 4.234 1.00 0.00 O ATOM 417 CB VAL A 47 0.371 -1.980 1.498 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.525 -3.207 1.544 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.835 -1.700 0.077 1.00 0.00 C ATOM 0 H VAL A 47 1.259 0.418 1.444 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.386 -0.743 1.710 1.00 0.00 H new ATOM 0 HB VAL A 47 1.251 -2.180 2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.008 -4.063 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.802 -3.417 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.425 -3.022 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.349 -2.576 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.028 -1.473 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.516 -0.849 0.078 1.00 0.00 H new ATOM 429 N ALA A 48 -1.570 -0.844 4.176 1.00 0.00 N ATOM 430 CA ALA A 48 -1.720 -0.938 5.624 1.00 0.00 C ATOM 431 C ALA A 48 -1.850 -2.391 6.070 1.00 0.00 C ATOM 432 O ALA A 48 -2.296 -3.246 5.306 1.00 0.00 O ATOM 433 CB ALA A 48 -2.929 -0.133 6.082 1.00 0.00 C ATOM 0 H ALA A 48 -2.449 -0.769 3.664 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.824 -0.523 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.030 -0.212 7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.796 0.913 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.828 -0.523 5.605 1.00 0.00 H new ATOM 439 N ASN A 49 -1.456 -2.662 7.309 1.00 0.00 N ATOM 440 CA ASN A 49 -1.526 -4.012 7.856 1.00 0.00 C ATOM 441 C ASN A 49 -0.659 -4.972 7.047 1.00 0.00 C ATOM 442 O ASN A 49 -0.906 -6.177 7.022 1.00 0.00 O ATOM 443 CB ASN A 49 -2.975 -4.504 7.868 1.00 0.00 C ATOM 444 CG ASN A 49 -3.710 -4.104 9.134 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.106 -3.610 10.086 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.021 -4.317 9.149 1.00 0.00 N ATOM 0 H ASN A 49 -1.085 -1.965 7.954 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.149 -3.984 8.878 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.500 -4.100 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.988 -5.590 7.771 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.569 -4.068 9.973 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.480 -4.729 8.337 1.00 0.00 H new ATOM 453 N GLY A 50 0.359 -4.429 6.387 1.00 0.00 N ATOM 454 CA GLY A 50 1.249 -5.251 5.587 1.00 0.00 C ATOM 455 C GLY A 50 2.709 -5.026 5.929 1.00 0.00 C ATOM 456 O GLY A 50 3.097 -5.082 7.094 1.00 0.00 O ATOM 0 H GLY A 50 0.584 -3.434 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.001 -6.302 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.089 -5.034 4.531 1.00 0.00 H new ATOM 460 N GLY A 51 3.521 -4.772 4.907 1.00 0.00 N ATOM 461 CA GLY A 51 4.938 -4.543 5.124 1.00 0.00 C ATOM 462 C GLY A 51 5.636 -5.754 5.710 1.00 0.00 C ATOM 463 O GLY A 51 5.001 -6.608 6.330 1.00 0.00 O ATOM 0 H GLY A 51 3.223 -4.721 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.409 -4.278 4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.067 -3.693 5.794 1.00 0.00 H new ATOM 467 N LEU A 52 6.948 -5.830 5.514 1.00 0.00 N ATOM 468 CA LEU A 52 7.734 -6.948 6.027 1.00 0.00 C ATOM 469 C LEU A 52 7.359 -7.259 7.473 1.00 0.00 C ATOM 470 O LEU A 52 7.055 -8.400 7.813 1.00 0.00 O ATOM 471 CB LEU A 52 9.228 -6.630 5.933 1.00 0.00 C ATOM 472 CG LEU A 52 9.755 -6.293 4.538 1.00 0.00 C ATOM 473 CD1 LEU A 52 11.095 -5.579 4.632 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.878 -7.553 3.694 1.00 0.00 C ATOM 0 H LEU A 52 7.490 -5.132 5.004 1.00 0.00 H new ATOM 0 HA LEU A 52 7.515 -7.825 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.443 -5.790 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.786 -7.485 6.314 1.00 0.00 H new ATOM 0 HG LEU A 52 9.043 -5.625 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.455 -5.347 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.976 -4.655 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.816 -6.223 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.255 -7.293 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.568 -8.247 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.899 -8.023 3.598 1.00 0.00 H new ATOM 486 N GLY A 53 7.381 -6.233 8.319 1.00 0.00 N ATOM 487 CA GLY A 53 7.040 -6.418 9.717 1.00 0.00 C ATOM 488 C GLY A 53 5.870 -7.362 9.908 1.00 0.00 C ATOM 489 O GLY A 53 5.807 -8.090 10.898 1.00 0.00 O ATOM 0 H GLY A 53 7.629 -5.278 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.907 -6.806 10.251 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.799 -5.452 10.160 1.00 0.00 H new ATOM 493 N ASN A 54 4.940 -7.350 8.959 1.00 0.00 N ATOM 494 CA ASN A 54 3.765 -8.211 9.028 1.00 0.00 C ATOM 495 C ASN A 54 4.012 -9.528 8.300 1.00 0.00 C ATOM 496 O ASN A 54 3.101 -10.098 7.699 1.00 0.00 O ATOM 497 CB ASN A 54 2.551 -7.501 8.426 1.00 0.00 C ATOM 498 CG ASN A 54 1.239 -8.102 8.894 1.00 0.00 C ATOM 499 OD1 ASN A 54 0.949 -9.270 8.635 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.438 -7.302 9.590 1.00 0.00 N ATOM 0 H ASN A 54 4.977 -6.753 8.133 1.00 0.00 H new ATOM 0 HA ASN A 54 3.566 -8.429 10.077 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.580 -6.445 8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.605 -7.554 7.339 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.458 -7.650 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.719 -6.340 9.781 1.00 0.00 H new ATOM 507 N GLY A 55 5.251 -10.009 8.359 1.00 0.00 N ATOM 508 CA GLY A 55 5.595 -11.255 7.701 1.00 0.00 C ATOM 509 C GLY A 55 5.138 -11.294 6.256 1.00 0.00 C ATOM 510 O GLY A 55 4.684 -12.329 5.769 1.00 0.00 O ATOM 0 H GLY A 55 6.022 -9.557 8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.675 -11.397 7.741 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.144 -12.085 8.244 1.00 0.00 H new ATOM 514 N VAL A 56 5.259 -10.162 5.568 1.00 0.00 N ATOM 515 CA VAL A 56 4.854 -10.071 4.171 1.00 0.00 C ATOM 516 C VAL A 56 6.060 -9.862 3.262 1.00 0.00 C ATOM 517 O VAL A 56 6.761 -8.855 3.365 1.00 0.00 O ATOM 518 CB VAL A 56 3.854 -8.920 3.950 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.616 -8.697 2.464 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.545 -9.207 4.672 1.00 0.00 C ATOM 0 H VAL A 56 5.634 -9.296 5.956 1.00 0.00 H new ATOM 0 HA VAL A 56 4.371 -11.015 3.919 1.00 0.00 H new ATOM 0 HB VAL A 56 4.279 -8.006 4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.907 -7.880 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.559 -8.444 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.212 -9.607 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.850 -8.384 4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.113 -10.131 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.734 -9.312 5.740 1.00 0.00 H new ATOM 530 N SER A 57 6.297 -10.820 2.372 1.00 0.00 N ATOM 531 CA SER A 57 7.421 -10.743 1.446 1.00 0.00 C ATOM 532 C SER A 57 7.024 -10.007 0.169 1.00 0.00 C ATOM 533 O SER A 57 5.854 -9.989 -0.211 1.00 0.00 O ATOM 534 CB SER A 57 7.923 -12.147 1.104 1.00 0.00 C ATOM 535 OG SER A 57 8.286 -12.858 2.274 1.00 0.00 O ATOM 0 H SER A 57 5.726 -11.659 2.272 1.00 0.00 H new ATOM 0 HA SER A 57 8.223 -10.186 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.147 -12.694 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.782 -12.077 0.436 1.00 0.00 H new ATOM 0 HG SER A 57 8.602 -13.753 2.028 1.00 0.00 H new ATOM 541 N ARG A 58 8.008 -9.400 -0.487 1.00 0.00 N ATOM 542 CA ARG A 58 7.763 -8.662 -1.719 1.00 0.00 C ATOM 543 C ARG A 58 7.148 -9.567 -2.783 1.00 0.00 C ATOM 544 O ARG A 58 6.224 -9.170 -3.491 1.00 0.00 O ATOM 545 CB ARG A 58 9.066 -8.054 -2.242 1.00 0.00 C ATOM 546 CG ARG A 58 9.017 -7.688 -3.717 1.00 0.00 C ATOM 547 CD ARG A 58 10.166 -6.767 -4.100 1.00 0.00 C ATOM 548 NE ARG A 58 10.218 -5.577 -3.256 1.00 0.00 N ATOM 549 CZ ARG A 58 11.189 -4.673 -3.318 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.184 -4.823 -4.183 1.00 0.00 N ATOM 551 NH2 ARG A 58 11.167 -3.616 -2.517 1.00 0.00 N ATOM 0 H ARG A 58 8.982 -9.405 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 58 7.059 -7.860 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.299 -7.161 -1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.879 -8.762 -2.078 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.060 -8.595 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.068 -7.201 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.108 -7.310 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.059 -6.468 -5.143 1.00 0.00 H new ATOM 0 HE ARG A 58 9.467 -5.432 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.204 -5.634 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.929 -4.128 -4.229 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.403 -3.496 -1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.914 -2.923 -2.566 1.00 0.00 H new ATOM 565 N ASN A 59 7.668 -10.786 -2.888 1.00 0.00 N ATOM 566 CA ASN A 59 7.171 -11.747 -3.866 1.00 0.00 C ATOM 567 C ASN A 59 5.819 -12.307 -3.439 1.00 0.00 C ATOM 568 O ASN A 59 5.206 -13.093 -4.161 1.00 0.00 O ATOM 569 CB ASN A 59 8.175 -12.888 -4.045 1.00 0.00 C ATOM 570 CG ASN A 59 7.556 -14.103 -4.710 1.00 0.00 C ATOM 571 OD1 ASN A 59 7.054 -15.005 -4.038 1.00 0.00 O ATOM 572 ND2 ASN A 59 7.591 -14.132 -6.037 1.00 0.00 N ATOM 0 H ASN A 59 8.433 -11.131 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 59 7.046 -11.229 -4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.016 -12.538 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.574 -13.174 -3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.192 -14.924 -6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.017 -13.362 -6.553 1.00 0.00 H new ATOM 579 N GLN A 60 5.359 -11.895 -2.261 1.00 0.00 N ATOM 580 CA GLN A 60 4.078 -12.356 -1.739 1.00 0.00 C ATOM 581 C GLN A 60 3.038 -11.242 -1.786 1.00 0.00 C ATOM 582 O GLN A 60 1.835 -11.497 -1.717 1.00 0.00 O ATOM 583 CB GLN A 60 4.240 -12.858 -0.303 1.00 0.00 C ATOM 584 CG GLN A 60 2.923 -13.006 0.442 1.00 0.00 C ATOM 585 CD GLN A 60 1.982 -13.990 -0.224 1.00 0.00 C ATOM 586 OE1 GLN A 60 0.794 -13.521 -0.587 1.00 0.00 O flip ATOM 587 NE2 GLN A 60 2.320 -15.159 -0.411 1.00 0.00 N flip ATOM 0 H GLN A 60 5.854 -11.244 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 60 3.733 -13.177 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.749 -13.822 -0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.882 -12.168 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.122 -13.334 1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.437 -12.033 0.509 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.243 -15.476 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.677 -15.810 -0.861 1.00 0.00 H new ATOM 596 N LEU A 61 3.508 -10.005 -1.904 1.00 0.00 N ATOM 597 CA LEU A 61 2.619 -8.850 -1.960 1.00 0.00 C ATOM 598 C LEU A 61 2.567 -8.270 -3.371 1.00 0.00 C ATOM 599 O LEU A 61 1.511 -7.848 -3.841 1.00 0.00 O ATOM 600 CB LEU A 61 3.081 -7.777 -0.973 1.00 0.00 C ATOM 601 CG LEU A 61 2.080 -6.660 -0.679 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.841 -7.220 0.005 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.722 -5.581 0.181 1.00 0.00 C ATOM 0 H LEU A 61 4.500 -9.776 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 61 1.617 -9.181 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.338 -8.264 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.995 -7.326 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 61 1.778 -6.211 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.139 -6.410 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.368 -7.956 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.127 -7.695 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.995 -4.794 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.053 -6.016 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.579 -5.159 -0.344 1.00 0.00 H new ATOM 615 N LEU A 62 3.715 -8.255 -4.041 1.00 0.00 N ATOM 616 CA LEU A 62 3.800 -7.731 -5.399 1.00 0.00 C ATOM 617 C LEU A 62 2.835 -8.462 -6.327 1.00 0.00 C ATOM 618 O LEU A 62 2.155 -7.857 -7.157 1.00 0.00 O ATOM 619 CB LEU A 62 5.229 -7.859 -5.928 1.00 0.00 C ATOM 620 CG LEU A 62 5.388 -7.827 -7.448 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.187 -6.417 -7.977 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.756 -8.360 -7.851 1.00 0.00 C ATOM 0 H LEU A 62 4.599 -8.600 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 62 3.522 -6.677 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.826 -7.052 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.649 -8.794 -5.559 1.00 0.00 H new ATOM 0 HG LEU A 62 4.625 -8.469 -7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.304 -6.415 -9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.186 -6.071 -7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.927 -5.752 -7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.853 -8.330 -8.936 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.534 -7.744 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.862 -9.388 -7.505 1.00 0.00 H new ATOM 634 N PRO A 63 2.771 -9.794 -6.184 1.00 0.00 N ATOM 635 CA PRO A 63 1.891 -10.636 -7.000 1.00 0.00 C ATOM 636 C PRO A 63 0.469 -10.090 -7.070 1.00 0.00 C ATOM 637 O PRO A 63 -0.185 -10.165 -8.111 1.00 0.00 O ATOM 638 CB PRO A 63 1.911 -11.982 -6.270 1.00 0.00 C ATOM 639 CG PRO A 63 3.214 -12.001 -5.549 1.00 0.00 C ATOM 640 CD PRO A 63 3.552 -10.580 -5.215 1.00 0.00 C ATOM 0 HA PRO A 63 2.226 -10.692 -8.036 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.074 -12.070 -5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.834 -12.814 -6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.145 -12.604 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.991 -12.446 -6.170 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.279 -10.335 -4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.621 -10.389 -5.314 1.00 0.00 H new ATOM 648 N VAL A 64 -0.005 -9.540 -5.956 1.00 0.00 N ATOM 649 CA VAL A 64 -1.350 -8.980 -5.893 1.00 0.00 C ATOM 650 C VAL A 64 -1.395 -7.587 -6.510 1.00 0.00 C ATOM 651 O VAL A 64 -2.446 -7.130 -6.964 1.00 0.00 O ATOM 652 CB VAL A 64 -1.857 -8.902 -4.441 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.293 -8.401 -4.403 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.739 -10.258 -3.762 1.00 0.00 C ATOM 0 H VAL A 64 0.522 -9.470 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.998 -9.647 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.235 -8.192 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.634 -8.352 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.344 -7.408 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.931 -9.083 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.102 -10.184 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.335 -10.990 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.695 -10.572 -3.756 1.00 0.00 H new ATOM 664 N LEU A 65 -0.249 -6.916 -6.526 1.00 0.00 N ATOM 665 CA LEU A 65 -0.156 -5.572 -7.090 1.00 0.00 C ATOM 666 C LEU A 65 0.087 -5.629 -8.595 1.00 0.00 C ATOM 667 O LEU A 65 -0.067 -4.630 -9.295 1.00 0.00 O ATOM 668 CB LEU A 65 0.968 -4.789 -6.409 1.00 0.00 C ATOM 669 CG LEU A 65 0.916 -4.731 -4.882 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.283 -4.379 -4.314 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.129 -3.726 -4.422 1.00 0.00 C ATOM 0 H LEU A 65 0.629 -7.279 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.104 -5.063 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.921 -5.229 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.957 -3.769 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 65 0.633 -5.716 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.226 -4.342 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.008 -5.136 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.595 -3.406 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.152 -3.698 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.124 -2.737 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.108 -4.022 -4.798 1.00 0.00 H new ATOM 683 N GLU A 66 0.465 -6.807 -9.084 1.00 0.00 N ATOM 684 CA GLU A 66 0.727 -6.992 -10.506 1.00 0.00 C ATOM 685 C GLU A 66 -0.546 -7.393 -11.246 1.00 0.00 C ATOM 686 O GLU A 66 -0.846 -6.869 -12.319 1.00 0.00 O ATOM 687 CB GLU A 66 1.806 -8.057 -10.713 1.00 0.00 C ATOM 688 CG GLU A 66 3.212 -7.565 -10.409 1.00 0.00 C ATOM 689 CD GLU A 66 4.283 -8.434 -11.038 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.484 -8.331 -12.267 1.00 0.00 O ATOM 691 OE2 GLU A 66 4.920 -9.217 -10.303 1.00 0.00 O ATOM 0 H GLU A 66 0.596 -7.645 -8.517 1.00 0.00 H new ATOM 0 HA GLU A 66 1.079 -6.043 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.585 -8.915 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.767 -8.406 -11.745 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.321 -6.542 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.358 -7.539 -9.329 1.00 0.00 H new ATOM 698 N LYS A 67 -1.292 -8.327 -10.665 1.00 0.00 N ATOM 699 CA LYS A 67 -2.533 -8.800 -11.267 1.00 0.00 C ATOM 700 C LYS A 67 -3.473 -7.635 -11.561 1.00 0.00 C ATOM 701 O LYS A 67 -4.190 -7.642 -12.561 1.00 0.00 O ATOM 702 CB LYS A 67 -3.222 -9.804 -10.341 1.00 0.00 C ATOM 703 CG LYS A 67 -3.465 -9.273 -8.940 1.00 0.00 C ATOM 704 CD LYS A 67 -4.352 -10.209 -8.135 1.00 0.00 C ATOM 705 CE LYS A 67 -5.815 -10.065 -8.526 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.175 -10.954 -9.664 1.00 0.00 N ATOM 0 H LYS A 67 -1.058 -8.772 -9.777 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.287 -9.292 -12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.176 -10.095 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.612 -10.705 -10.278 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.511 -9.144 -8.428 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.931 -8.289 -8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.032 -11.239 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.236 -9.997 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.445 -10.300 -7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.018 -9.029 -8.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.399 -10.376 -10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.374 -11.581 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.004 -11.528 -9.408 1.00 0.00 H new ATOM 720 N CYS A 68 -3.464 -6.638 -10.683 1.00 0.00 N ATOM 721 CA CYS A 68 -4.316 -5.466 -10.849 1.00 0.00 C ATOM 722 C CYS A 68 -3.744 -4.522 -11.903 1.00 0.00 C ATOM 723 O CYS A 68 -4.417 -4.180 -12.875 1.00 0.00 O ATOM 724 CB CYS A 68 -4.470 -4.728 -9.517 1.00 0.00 C ATOM 725 SG CYS A 68 -5.772 -5.391 -8.453 1.00 0.00 S ATOM 0 H CYS A 68 -2.876 -6.618 -9.849 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.296 -5.805 -11.184 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.522 -4.767 -8.980 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.680 -3.677 -9.718 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.537 -4.421 -8.047 1.00 0.00 H new ATOM 731 N GLY A 69 -2.498 -4.105 -11.702 1.00 0.00 N ATOM 732 CA GLY A 69 -1.858 -3.203 -12.642 1.00 0.00 C ATOM 733 C GLY A 69 -0.355 -3.392 -12.694 1.00 0.00 C ATOM 734 O GLY A 69 0.195 -4.254 -12.006 1.00 0.00 O ATOM 0 H GLY A 69 -1.921 -4.375 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.276 -3.362 -13.636 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.082 -2.173 -12.363 1.00 0.00 H new ATOM 738 N LEU A 70 0.314 -2.587 -13.512 1.00 0.00 N ATOM 739 CA LEU A 70 1.763 -2.669 -13.652 1.00 0.00 C ATOM 740 C LEU A 70 2.464 -2.008 -12.470 1.00 0.00 C ATOM 741 O LEU A 70 2.167 -0.867 -12.118 1.00 0.00 O ATOM 742 CB LEU A 70 2.207 -2.007 -14.959 1.00 0.00 C ATOM 743 CG LEU A 70 2.019 -2.837 -16.229 1.00 0.00 C ATOM 744 CD1 LEU A 70 2.323 -2.001 -17.462 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.902 -4.076 -16.192 1.00 0.00 C ATOM 0 H LEU A 70 -0.125 -1.869 -14.089 1.00 0.00 H new ATOM 0 HA LEU A 70 2.042 -3.723 -13.672 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.657 -1.073 -15.075 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.262 -1.747 -14.871 1.00 0.00 H new ATOM 0 HG LEU A 70 0.979 -3.158 -16.280 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.184 -2.608 -18.357 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.649 -1.145 -17.496 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.354 -1.650 -17.418 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.755 -4.655 -17.104 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.947 -3.776 -16.117 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.637 -4.686 -15.328 1.00 0.00 H new ATOM 757 N VAL A 71 3.398 -2.732 -11.862 1.00 0.00 N ATOM 758 CA VAL A 71 4.144 -2.215 -10.721 1.00 0.00 C ATOM 759 C VAL A 71 5.501 -1.673 -11.153 1.00 0.00 C ATOM 760 O VAL A 71 6.392 -2.432 -11.535 1.00 0.00 O ATOM 761 CB VAL A 71 4.355 -3.301 -9.649 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.192 -2.762 -8.500 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.016 -3.820 -9.146 1.00 0.00 C ATOM 0 H VAL A 71 3.656 -3.679 -12.141 1.00 0.00 H new ATOM 0 HA VAL A 71 3.551 -1.406 -10.295 1.00 0.00 H new ATOM 0 HB VAL A 71 4.895 -4.133 -10.101 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.330 -3.543 -7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.164 -2.443 -8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.682 -1.912 -8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.184 -4.586 -8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.448 -2.998 -8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.456 -4.248 -9.978 1.00 0.00 H new ATOM 773 N ASP A 72 5.653 -0.355 -11.088 1.00 0.00 N ATOM 774 CA ASP A 72 6.904 0.292 -11.470 1.00 0.00 C ATOM 775 C ASP A 72 7.934 0.185 -10.351 1.00 0.00 C ATOM 776 O ASP A 72 9.065 -0.246 -10.574 1.00 0.00 O ATOM 777 CB ASP A 72 6.658 1.760 -11.818 1.00 0.00 C ATOM 778 CG ASP A 72 7.636 2.281 -12.852 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.100 1.478 -13.689 1.00 0.00 O ATOM 780 OD2 ASP A 72 7.937 3.493 -12.826 1.00 0.00 O ATOM 0 H ASP A 72 4.925 0.287 -10.774 1.00 0.00 H new ATOM 0 HA ASP A 72 7.296 -0.219 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.641 1.876 -12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.735 2.363 -10.913 1.00 0.00 H new ATOM 785 N ALA A 73 7.537 0.583 -9.148 1.00 0.00 N ATOM 786 CA ALA A 73 8.425 0.533 -7.993 1.00 0.00 C ATOM 787 C ALA A 73 7.646 0.249 -6.713 1.00 0.00 C ATOM 788 O ALA A 73 6.643 0.903 -6.426 1.00 0.00 O ATOM 789 CB ALA A 73 9.199 1.836 -7.865 1.00 0.00 C ATOM 0 H ALA A 73 6.605 0.944 -8.947 1.00 0.00 H new ATOM 0 HA ALA A 73 9.132 -0.283 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.858 1.784 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.794 1.996 -8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.500 2.663 -7.741 1.00 0.00 H new ATOM 795 N LEU A 74 8.114 -0.730 -5.947 1.00 0.00 N ATOM 796 CA LEU A 74 7.461 -1.102 -4.696 1.00 0.00 C ATOM 797 C LEU A 74 8.398 -0.895 -3.510 1.00 0.00 C ATOM 798 O LEU A 74 9.330 -1.673 -3.299 1.00 0.00 O ATOM 799 CB LEU A 74 7.001 -2.559 -4.751 1.00 0.00 C ATOM 800 CG LEU A 74 6.714 -3.223 -3.404 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.439 -2.662 -2.794 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.610 -4.733 -3.564 1.00 0.00 C ATOM 0 H LEU A 74 8.943 -1.281 -6.170 1.00 0.00 H new ATOM 0 HA LEU A 74 6.591 -0.459 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.098 -2.611 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.766 -3.141 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 74 7.543 -3.005 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.250 -3.146 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.550 -1.588 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.601 -2.849 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.406 -5.188 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.801 -4.971 -4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.549 -5.123 -3.957 1.00 0.00 H new ATOM 814 N LEU A 75 8.145 0.155 -2.738 1.00 0.00 N ATOM 815 CA LEU A 75 8.964 0.462 -1.571 1.00 0.00 C ATOM 816 C LEU A 75 8.489 -0.319 -0.350 1.00 0.00 C ATOM 817 O LEU A 75 7.331 -0.217 0.051 1.00 0.00 O ATOM 818 CB LEU A 75 8.926 1.963 -1.277 1.00 0.00 C ATOM 819 CG LEU A 75 9.736 2.431 -0.067 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.222 2.439 -0.390 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.278 3.811 0.380 1.00 0.00 C ATOM 0 H LEU A 75 7.379 0.809 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 75 9.990 0.167 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.286 2.495 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.887 2.258 -1.130 1.00 0.00 H new ATOM 0 HG LEU A 75 9.567 1.731 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.782 2.775 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.541 1.432 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.409 3.116 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.865 4.128 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.416 4.522 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.224 3.774 0.653 1.00 0.00 H new ATOM 833 N MET A 76 9.393 -1.098 0.235 1.00 0.00 N ATOM 834 CA MET A 76 9.066 -1.894 1.413 1.00 0.00 C ATOM 835 C MET A 76 10.057 -1.629 2.541 1.00 0.00 C ATOM 836 O MET A 76 11.145 -2.202 2.593 1.00 0.00 O ATOM 837 CB MET A 76 9.061 -3.383 1.063 1.00 0.00 C ATOM 838 CG MET A 76 7.908 -3.792 0.161 1.00 0.00 C ATOM 839 SD MET A 76 7.715 -5.581 0.047 1.00 0.00 S ATOM 840 CE MET A 76 6.857 -5.927 1.582 1.00 0.00 C ATOM 0 H MET A 76 10.356 -1.195 -0.087 1.00 0.00 H new ATOM 0 HA MET A 76 8.071 -1.604 1.752 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.002 -3.636 0.574 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.015 -3.964 1.984 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.984 -3.354 0.538 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.070 -3.384 -0.837 1.00 0.00 H new ATOM 0 HE1 MET A 76 6.618 -6.989 1.634 1.00 0.00 H new ATOM 0 HE2 MET A 76 7.494 -5.657 2.424 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.936 -5.346 1.623 1.00 0.00 H new ATOM 850 N PRO A 77 9.675 -0.737 3.469 1.00 0.00 N ATOM 851 CA PRO A 77 10.517 -0.376 4.613 1.00 0.00 C ATOM 852 C PRO A 77 10.646 -1.513 5.620 1.00 0.00 C ATOM 853 O PRO A 77 9.682 -2.213 5.930 1.00 0.00 O ATOM 854 CB PRO A 77 9.776 0.810 5.238 1.00 0.00 C ATOM 855 CG PRO A 77 8.354 0.624 4.832 1.00 0.00 C ATOM 856 CD PRO A 77 8.393 -0.014 3.470 1.00 0.00 C ATOM 0 HA PRO A 77 11.539 -0.147 4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.881 0.815 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.171 1.759 4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.824 -0.008 5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.829 1.579 4.801 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.551 -0.689 3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.351 0.731 2.676 1.00 0.00 H new ATOM 864 N PRO A 78 11.866 -1.705 6.144 1.00 0.00 N ATOM 865 CA PRO A 78 12.151 -2.757 7.124 1.00 0.00 C ATOM 866 C PRO A 78 11.507 -2.478 8.477 1.00 0.00 C ATOM 867 O PRO A 78 11.440 -1.331 8.919 1.00 0.00 O ATOM 868 CB PRO A 78 13.676 -2.728 7.242 1.00 0.00 C ATOM 869 CG PRO A 78 14.061 -1.342 6.857 1.00 0.00 C ATOM 870 CD PRO A 78 13.062 -0.909 5.819 1.00 0.00 C ATOM 0 HA PRO A 78 11.752 -3.723 6.813 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.999 -2.961 8.257 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.138 -3.464 6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.040 -0.677 7.720 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.075 -1.315 6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.861 0.161 5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.418 -1.112 4.809 1.00 0.00 H new ATOM 878 N ASN A 79 11.032 -3.533 9.131 1.00 0.00 N ATOM 879 CA ASN A 79 10.393 -3.401 10.435 1.00 0.00 C ATOM 880 C ASN A 79 9.241 -2.402 10.376 1.00 0.00 C ATOM 881 O ASN A 79 9.064 -1.586 11.282 1.00 0.00 O ATOM 882 CB ASN A 79 11.413 -2.957 11.485 1.00 0.00 C ATOM 883 CG ASN A 79 12.525 -3.971 11.675 1.00 0.00 C ATOM 884 OD1 ASN A 79 12.337 -5.165 11.442 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.691 -3.499 12.102 1.00 0.00 N ATOM 0 H ASN A 79 11.078 -4.489 8.779 1.00 0.00 H new ATOM 0 HA ASN A 79 9.994 -4.375 10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.844 -2.001 11.188 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.905 -2.796 12.436 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.475 -4.134 12.249 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.802 -2.501 12.283 1.00 0.00 H new ATOM 892 N LYS A 80 8.457 -2.473 9.306 1.00 0.00 N ATOM 893 CA LYS A 80 7.320 -1.578 9.129 1.00 0.00 C ATOM 894 C LYS A 80 6.102 -2.340 8.617 1.00 0.00 C ATOM 895 O LYS A 80 6.138 -2.983 7.567 1.00 0.00 O ATOM 896 CB LYS A 80 7.676 -0.454 8.154 1.00 0.00 C ATOM 897 CG LYS A 80 8.562 0.621 8.763 1.00 0.00 C ATOM 898 CD LYS A 80 7.909 1.258 9.978 1.00 0.00 C ATOM 899 CE LYS A 80 8.436 2.664 10.222 1.00 0.00 C ATOM 900 NZ LYS A 80 9.720 2.650 10.977 1.00 0.00 N ATOM 0 H LYS A 80 8.588 -3.142 8.547 1.00 0.00 H new ATOM 0 HA LYS A 80 7.076 -1.146 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.181 -0.882 7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.757 0.006 7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.519 0.186 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.771 1.388 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.829 1.293 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.095 0.641 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.581 3.169 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.694 3.239 10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.047 3.626 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.576 2.191 11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.435 2.123 10.436 1.00 0.00 H new ATOM 914 N PRO A 81 4.997 -2.269 9.373 1.00 0.00 N ATOM 915 CA PRO A 81 3.746 -2.945 9.014 1.00 0.00 C ATOM 916 C PRO A 81 3.074 -2.315 7.799 1.00 0.00 C ATOM 917 O PRO A 81 2.060 -2.812 7.310 1.00 0.00 O ATOM 918 CB PRO A 81 2.875 -2.765 10.260 1.00 0.00 C ATOM 919 CG PRO A 81 3.405 -1.538 10.918 1.00 0.00 C ATOM 920 CD PRO A 81 4.882 -1.521 10.636 1.00 0.00 C ATOM 0 HA PRO A 81 3.911 -3.987 8.739 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.824 -2.650 9.995 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.944 -3.630 10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.922 -0.644 10.523 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.213 -1.557 11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.260 -0.504 10.536 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.449 -1.995 11.437 1.00 0.00 H new ATOM 928 N TYR A 82 3.646 -1.217 7.316 1.00 0.00 N ATOM 929 CA TYR A 82 3.102 -0.518 6.158 1.00 0.00 C ATOM 930 C TYR A 82 4.148 -0.392 5.054 1.00 0.00 C ATOM 931 O TYR A 82 5.349 -0.374 5.323 1.00 0.00 O ATOM 932 CB TYR A 82 2.602 0.870 6.564 1.00 0.00 C ATOM 933 CG TYR A 82 3.672 1.743 7.178 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.657 2.326 6.392 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.699 1.983 8.547 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.638 3.124 6.950 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.675 2.780 9.113 1.00 0.00 C ATOM 938 CZ TYR A 82 5.642 3.348 8.310 1.00 0.00 C ATOM 939 OH TYR A 82 6.616 4.142 8.871 1.00 0.00 O ATOM 0 H TYR A 82 4.486 -0.792 7.709 1.00 0.00 H new ATOM 0 HA TYR A 82 2.265 -1.101 5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.195 1.372 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.784 0.758 7.275 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.657 2.153 5.326 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.944 1.539 9.179 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.397 3.569 6.324 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.681 2.957 10.178 1.00 0.00 H new ATOM 0 HH TYR A 82 6.257 4.587 9.667 1.00 0.00 H new ATOM 949 N SER A 83 3.682 -0.303 3.814 1.00 0.00 N ATOM 950 CA SER A 83 4.575 -0.182 2.668 1.00 0.00 C ATOM 951 C SER A 83 4.017 0.803 1.645 1.00 0.00 C ATOM 952 O SER A 83 2.921 1.337 1.814 1.00 0.00 O ATOM 953 CB SER A 83 4.788 -1.548 2.013 1.00 0.00 C ATOM 954 OG SER A 83 5.573 -2.392 2.839 1.00 0.00 O ATOM 0 H SER A 83 2.690 -0.312 3.576 1.00 0.00 H new ATOM 0 HA SER A 83 5.533 0.195 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.823 -2.017 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.278 -1.420 1.048 1.00 0.00 H new ATOM 0 HG SER A 83 5.801 -3.209 2.349 1.00 0.00 H new ATOM 960 N PHE A 84 4.780 1.039 0.583 1.00 0.00 N ATOM 961 CA PHE A 84 4.363 1.960 -0.468 1.00 0.00 C ATOM 962 C PHE A 84 4.588 1.349 -1.848 1.00 0.00 C ATOM 963 O PHE A 84 5.630 0.749 -2.110 1.00 0.00 O ATOM 964 CB PHE A 84 5.129 3.280 -0.352 1.00 0.00 C ATOM 965 CG PHE A 84 5.094 3.874 1.028 1.00 0.00 C ATOM 966 CD1 PHE A 84 3.997 4.604 1.455 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.159 3.702 1.898 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.962 5.152 2.723 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.129 4.246 3.167 1.00 0.00 C ATOM 970 CZ PHE A 84 5.030 4.973 3.580 1.00 0.00 C ATOM 0 H PHE A 84 5.690 0.605 0.427 1.00 0.00 H new ATOM 0 HA PHE A 84 3.297 2.153 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.167 3.115 -0.642 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.711 3.997 -1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.159 4.747 0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.022 3.136 1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.101 5.719 3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.965 4.103 3.836 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.006 5.401 4.571 1.00 0.00 H new ATOM 980 N ALA A 85 3.602 1.505 -2.725 1.00 0.00 N ATOM 981 CA ALA A 85 3.692 0.970 -4.078 1.00 0.00 C ATOM 982 C ALA A 85 3.546 2.078 -5.117 1.00 0.00 C ATOM 983 O ALA A 85 2.792 3.030 -4.920 1.00 0.00 O ATOM 984 CB ALA A 85 2.633 -0.101 -4.294 1.00 0.00 C ATOM 0 H ALA A 85 2.732 1.997 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 85 4.678 0.520 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.712 -0.491 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.784 -0.911 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.643 0.331 -4.148 1.00 0.00 H new ATOM 990 N ARG A 86 4.272 1.946 -6.222 1.00 0.00 N ATOM 991 CA ARG A 86 4.225 2.936 -7.290 1.00 0.00 C ATOM 992 C ARG A 86 3.821 2.291 -8.612 1.00 0.00 C ATOM 993 O ARG A 86 4.602 1.559 -9.222 1.00 0.00 O ATOM 994 CB ARG A 86 5.585 3.622 -7.440 1.00 0.00 C ATOM 995 CG ARG A 86 5.492 5.055 -7.939 1.00 0.00 C ATOM 996 CD ARG A 86 6.791 5.811 -7.704 1.00 0.00 C ATOM 997 NE ARG A 86 7.713 5.677 -8.829 1.00 0.00 N ATOM 998 CZ ARG A 86 8.719 6.514 -9.059 1.00 0.00 C ATOM 999 NH1 ARG A 86 8.931 7.539 -8.245 1.00 0.00 N ATOM 1000 NH2 ARG A 86 9.515 6.325 -10.103 1.00 0.00 N ATOM 0 H ARG A 86 4.900 1.162 -6.401 1.00 0.00 H new ATOM 0 HA ARG A 86 3.476 3.683 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.095 3.614 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.200 3.045 -8.131 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.256 5.057 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.675 5.566 -7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.572 6.866 -7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.268 5.439 -6.798 1.00 0.00 H new ATOM 0 HE ARG A 86 7.577 4.898 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.321 7.686 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.704 8.180 -8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.355 5.537 -10.730 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.287 6.968 -10.279 1.00 0.00 H new ATOM 1014 N TYR A 87 2.597 2.566 -9.050 1.00 0.00 N ATOM 1015 CA TYR A 87 2.089 2.010 -10.298 1.00 0.00 C ATOM 1016 C TYR A 87 2.603 2.801 -11.496 1.00 0.00 C ATOM 1017 O TYR A 87 3.240 3.843 -11.339 1.00 0.00 O ATOM 1018 CB TYR A 87 0.559 2.008 -10.293 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.042 0.880 -9.484 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.272 1.024 -8.121 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.380 -0.327 -10.082 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.820 -0.004 -7.377 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -0.930 -1.359 -9.346 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.148 -1.192 -7.994 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.694 -2.218 -7.258 1.00 0.00 O ATOM 0 H TYR A 87 1.939 3.171 -8.559 1.00 0.00 H new ATOM 0 HA TYR A 87 2.448 0.984 -10.382 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.204 2.959 -9.895 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.201 1.939 -11.320 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.018 1.955 -7.635 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.210 -0.461 -11.140 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.990 0.123 -6.318 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.188 -2.291 -9.826 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.868 -2.984 -7.844 1.00 0.00 H new ATOM 1035 N ARG A 88 2.322 2.298 -12.693 1.00 0.00 N ATOM 1036 CA ARG A 88 2.756 2.956 -13.921 1.00 0.00 C ATOM 1037 C ARG A 88 1.729 3.987 -14.378 1.00 0.00 C ATOM 1038 O ARG A 88 2.072 4.982 -15.016 1.00 0.00 O ATOM 1039 CB ARG A 88 2.985 1.923 -15.025 1.00 0.00 C ATOM 1040 CG ARG A 88 3.283 2.538 -16.383 1.00 0.00 C ATOM 1041 CD ARG A 88 4.766 2.833 -16.547 1.00 0.00 C ATOM 1042 NE ARG A 88 5.027 3.716 -17.681 1.00 0.00 N ATOM 1043 CZ ARG A 88 4.893 5.037 -17.630 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.505 5.624 -16.506 1.00 0.00 N ATOM 1045 NH2 ARG A 88 5.149 5.773 -18.703 1.00 0.00 N ATOM 0 H ARG A 88 1.796 1.437 -12.840 1.00 0.00 H new ATOM 0 HA ARG A 88 3.694 3.471 -13.715 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.814 1.276 -14.739 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.101 1.291 -15.108 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.957 1.859 -17.171 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.712 3.459 -16.500 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.147 3.292 -15.635 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.309 1.898 -16.684 1.00 0.00 H new ATOM 0 HE ARG A 88 5.329 3.296 -18.560 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.309 5.061 -15.678 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.403 6.638 -16.469 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.449 5.325 -19.569 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.046 6.787 -18.662 1.00 0.00 H new ATOM 1059 N THR A 89 0.464 3.740 -14.048 1.00 0.00 N ATOM 1060 CA THR A 89 -0.615 4.646 -14.426 1.00 0.00 C ATOM 1061 C THR A 89 -1.614 4.814 -13.288 1.00 0.00 C ATOM 1062 O THR A 89 -1.927 3.861 -12.574 1.00 0.00 O ATOM 1063 CB THR A 89 -1.359 4.140 -15.677 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.968 2.873 -15.406 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.408 4.011 -16.857 1.00 0.00 C ATOM 0 H THR A 89 0.162 2.921 -13.520 1.00 0.00 H new ATOM 0 HA THR A 89 -0.157 5.610 -14.649 1.00 0.00 H new ATOM 0 HB THR A 89 -2.131 4.866 -15.932 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.440 2.559 -16.205 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.956 3.652 -17.728 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.030 4.984 -17.079 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.384 3.304 -16.610 1.00 0.00 H new ATOM 1073 N THR A 90 -2.115 6.036 -13.123 1.00 0.00 N ATOM 1074 CA THR A 90 -3.079 6.331 -12.071 1.00 0.00 C ATOM 1075 C THR A 90 -4.234 5.334 -12.088 1.00 0.00 C ATOM 1076 O THR A 90 -4.539 4.708 -11.074 1.00 0.00 O ATOM 1077 CB THR A 90 -3.644 7.756 -12.210 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.595 8.668 -12.555 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.307 8.204 -10.916 1.00 0.00 C ATOM 0 H THR A 90 -1.868 6.836 -13.705 1.00 0.00 H new ATOM 0 HA THR A 90 -2.547 6.250 -11.123 1.00 0.00 H new ATOM 0 HB THR A 90 -4.394 7.750 -13.001 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.963 9.572 -12.643 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.699 9.214 -11.038 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.124 7.525 -10.672 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.574 8.195 -10.109 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.870 5.194 -13.246 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.991 4.273 -13.394 1.00 0.00 C ATOM 1089 C GLU A 91 -5.765 3.005 -12.576 1.00 0.00 C ATOM 1090 O GLU A 91 -6.620 2.602 -11.789 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.193 3.913 -14.868 1.00 0.00 C ATOM 1092 CG GLU A 91 -5.142 2.962 -15.412 1.00 0.00 C ATOM 1093 CD GLU A 91 -5.262 2.752 -16.909 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -6.305 2.228 -17.354 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -4.313 3.115 -17.636 1.00 0.00 O ATOM 0 H GLU A 91 -4.629 5.706 -14.095 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.887 4.769 -13.022 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.178 3.462 -14.991 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.185 4.828 -15.461 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.151 3.353 -15.182 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.231 2.001 -14.906 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.607 2.382 -12.770 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.269 1.158 -12.051 1.00 0.00 C ATOM 1104 C GLU A 92 -4.307 1.386 -10.542 1.00 0.00 C ATOM 1105 O GLU A 92 -5.086 0.755 -9.828 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.884 0.661 -12.469 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.777 0.327 -13.947 1.00 0.00 C ATOM 1108 CD GLU A 92 -1.344 0.111 -14.394 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -0.456 0.847 -13.917 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -1.112 -0.797 -15.221 1.00 0.00 O ATOM 0 H GLU A 92 -3.888 2.704 -13.418 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.010 0.400 -12.305 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.144 1.423 -12.223 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.634 -0.225 -11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.358 -0.571 -14.156 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.218 1.135 -14.531 1.00 0.00 H new ATOM 1117 N SER A 93 -3.459 2.290 -10.065 1.00 0.00 N ATOM 1118 CA SER A 93 -3.390 2.599 -8.641 1.00 0.00 C ATOM 1119 C SER A 93 -4.784 2.600 -8.019 1.00 0.00 C ATOM 1120 O SER A 93 -5.017 1.967 -6.989 1.00 0.00 O ATOM 1121 CB SER A 93 -2.721 3.957 -8.424 1.00 0.00 C ATOM 1122 OG SER A 93 -3.136 4.539 -7.200 1.00 0.00 O ATOM 0 H SER A 93 -2.809 2.822 -10.644 1.00 0.00 H new ATOM 0 HA SER A 93 -2.794 1.827 -8.154 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.638 3.837 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.968 4.624 -9.250 1.00 0.00 H new ATOM 0 HG SER A 93 -2.557 5.300 -6.987 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.707 3.317 -8.652 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.078 3.401 -8.164 1.00 0.00 C ATOM 1130 C LYS A 94 -7.735 2.025 -8.145 1.00 0.00 C ATOM 1131 O LYS A 94 -8.263 1.592 -7.119 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.894 4.356 -9.038 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.569 5.821 -8.807 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.793 6.647 -10.062 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.273 6.899 -10.308 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.493 7.947 -11.342 1.00 0.00 N ATOM 0 H LYS A 94 -5.530 3.848 -9.504 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.051 3.784 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.719 4.115 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.955 4.193 -8.847 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.190 6.209 -7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.532 5.918 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.271 7.600 -9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.363 6.130 -10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.752 5.972 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.749 7.203 -9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.514 8.089 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.058 8.839 -11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.061 7.646 -12.239 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.698 1.340 -9.284 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.290 0.013 -9.397 1.00 0.00 C ATOM 1152 C ARG A 95 -7.868 -0.872 -8.228 1.00 0.00 C ATOM 1153 O ARG A 95 -8.684 -1.598 -7.660 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.880 -0.640 -10.718 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.137 -2.137 -10.763 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.397 -2.795 -11.917 1.00 0.00 C ATOM 1157 NE ARG A 95 -8.142 -2.700 -13.169 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.818 -3.369 -14.270 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -6.768 -4.179 -14.273 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.545 -3.229 -15.371 1.00 0.00 N ATOM 0 H ARG A 95 -7.264 1.683 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.374 0.123 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.423 -0.162 -11.534 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.819 -0.457 -10.890 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.823 -2.590 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.207 -2.321 -10.863 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.422 -2.323 -12.039 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.216 -3.844 -11.681 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.956 -2.086 -13.200 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.207 -4.290 -13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.522 -4.691 -15.120 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.354 -2.607 -15.373 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.295 -3.743 -16.216 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.589 -0.805 -7.873 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.059 -1.598 -6.772 1.00 0.00 C ATOM 1176 C ALA A 96 -6.484 -1.022 -5.425 1.00 0.00 C ATOM 1177 O ALA A 96 -6.697 -1.758 -4.463 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.542 -1.676 -6.859 1.00 0.00 C ATOM 0 H ALA A 96 -5.901 -0.209 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.469 -2.605 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.160 -2.272 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.255 -2.141 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.122 -0.671 -6.807 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.605 0.300 -5.365 1.00 0.00 N ATOM 1185 CA TYR A 97 -7.001 0.977 -4.136 1.00 0.00 C ATOM 1186 C TYR A 97 -8.429 0.607 -3.747 1.00 0.00 C ATOM 1187 O TYR A 97 -8.747 0.467 -2.566 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.881 2.493 -4.301 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.676 3.277 -3.284 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.188 3.485 -1.999 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.918 3.812 -3.606 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.913 4.201 -1.066 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.650 4.531 -2.679 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.143 4.722 -1.411 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.866 5.437 -0.485 1.00 0.00 O ATOM 0 H TYR A 97 -6.434 0.924 -6.154 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.331 0.652 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.831 2.776 -4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.215 2.769 -5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.225 3.080 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.318 3.663 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.519 4.352 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.613 4.940 -2.946 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.708 5.735 -0.887 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.286 0.450 -4.750 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.681 0.095 -4.516 1.00 0.00 C ATOM 1207 C VAL A 98 -10.866 -1.418 -4.493 1.00 0.00 C ATOM 1208 O VAL A 98 -11.854 -1.926 -3.961 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.602 0.699 -5.592 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.058 0.607 -5.161 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.212 2.141 -5.879 1.00 0.00 C ATOM 0 H VAL A 98 -9.039 0.563 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.954 0.506 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.483 0.125 -6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.694 1.039 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.328 -0.438 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.197 1.155 -4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.873 2.552 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.300 2.730 -4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.182 2.175 -6.235 1.00 0.00 H new ATOM 1221 N THR A 99 -9.910 -2.135 -5.076 1.00 0.00 N ATOM 1222 CA THR A 99 -9.968 -3.590 -5.124 1.00 0.00 C ATOM 1223 C THR A 99 -9.153 -4.210 -3.994 1.00 0.00 C ATOM 1224 O THR A 99 -9.699 -4.883 -3.118 1.00 0.00 O ATOM 1225 CB THR A 99 -9.450 -4.129 -6.471 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.299 -3.686 -7.535 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.393 -5.649 -6.460 1.00 0.00 C ATOM 0 H THR A 99 -9.086 -1.731 -5.522 1.00 0.00 H new ATOM 0 HA THR A 99 -11.015 -3.869 -5.008 1.00 0.00 H new ATOM 0 HB THR A 99 -8.442 -3.745 -6.627 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.973 -2.828 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.024 -6.006 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.723 -5.982 -5.668 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.391 -6.049 -6.283 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.845 -3.981 -4.020 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.954 -4.517 -2.996 1.00 0.00 C ATOM 1237 C LEU A 100 -7.423 -4.114 -1.601 1.00 0.00 C ATOM 1238 O LEU A 100 -7.564 -4.957 -0.716 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.524 -4.024 -3.228 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.987 -4.171 -4.652 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.510 -3.812 -4.704 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.212 -5.586 -5.163 1.00 0.00 C ATOM 0 H LEU A 100 -7.377 -3.428 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.973 -5.605 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.474 -2.972 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.860 -4.565 -2.553 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.531 -3.482 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.144 -3.922 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.375 -2.780 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.951 -4.476 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.824 -5.672 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.695 -6.293 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.279 -5.808 -5.163 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.665 -2.821 -1.414 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.120 -2.307 -0.127 1.00 0.00 C ATOM 1256 C ASN A 101 -9.309 -3.110 0.390 1.00 0.00 C ATOM 1257 O ASN A 101 -10.368 -3.144 -0.236 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.501 -0.830 -0.250 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.760 -0.186 1.098 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.184 -0.849 2.045 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.505 1.114 1.191 1.00 0.00 N ATOM 0 H ASN A 101 -7.554 -2.110 -2.137 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.301 -2.406 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.701 -0.292 -0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.392 -0.738 -0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.660 1.602 2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.154 1.624 0.380 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.127 -3.757 1.537 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.193 -4.551 2.119 1.00 0.00 C ATOM 1270 C GLY A 102 -10.084 -6.019 1.761 1.00 0.00 C ATOM 1271 O GLY A 102 -10.568 -6.883 2.493 1.00 0.00 O ATOM 0 H GLY A 102 -8.260 -3.745 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.172 -4.442 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.155 -4.168 1.778 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.448 -6.305 0.630 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.276 -7.679 0.175 1.00 0.00 C ATOM 1277 C LYS A 103 -8.450 -8.485 1.172 1.00 0.00 C ATOM 1278 O LYS A 103 -7.694 -7.921 1.963 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.601 -7.703 -1.199 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.508 -9.091 -1.807 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.978 -9.042 -3.230 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.871 -10.434 -3.834 1.00 0.00 C ATOM 1283 NZ LYS A 103 -6.883 -11.278 -3.108 1.00 0.00 N ATOM 0 H LYS A 103 -9.043 -5.603 0.011 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.263 -8.134 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.155 -7.055 -1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.598 -7.287 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.855 -9.714 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.492 -9.559 -1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.637 -8.428 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.998 -8.565 -3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.848 -10.917 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.580 -10.354 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.687 -12.137 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.001 -10.743 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.269 -11.544 -2.180 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.599 -9.805 1.128 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.865 -10.687 2.028 1.00 0.00 C ATOM 1299 C GLU A 104 -6.690 -11.344 1.308 1.00 0.00 C ATOM 1300 O GLU A 104 -6.771 -11.655 0.120 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.795 -11.761 2.597 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.474 -11.354 3.893 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.347 -12.454 4.465 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.004 -13.161 3.674 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -10.371 -12.607 5.705 1.00 0.00 O ATOM 0 H GLU A 104 -9.221 -10.287 0.479 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.475 -10.084 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.558 -11.998 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.222 -12.672 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.715 -11.080 4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.083 -10.467 3.717 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.598 -11.551 2.038 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.407 -12.172 1.471 1.00 0.00 C ATOM 1314 C VAL A 105 -3.752 -13.119 2.470 1.00 0.00 C ATOM 1315 O VAL A 105 -3.646 -12.809 3.657 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.378 -11.113 1.032 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.871 -10.365 -0.196 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -3.087 -10.149 2.173 1.00 0.00 C ATOM 0 H VAL A 105 -5.514 -11.298 3.022 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.730 -12.738 0.597 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.450 -11.621 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.131 -9.621 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.024 -11.069 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.813 -9.867 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.358 -9.407 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.008 -9.647 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.686 -10.701 3.023 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.314 -14.275 1.982 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.667 -15.267 2.831 1.00 0.00 C ATOM 1330 C VAL A 106 -1.213 -14.896 3.102 1.00 0.00 C ATOM 1331 O VAL A 106 -0.361 -14.999 2.220 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.718 -16.669 2.194 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.695 -17.588 2.845 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.117 -17.254 2.303 1.00 0.00 C ATOM 0 H VAL A 106 -3.396 -14.547 1.002 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.215 -15.283 3.773 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.469 -16.578 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.745 -18.574 2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.696 -17.174 2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.910 -17.675 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.134 -18.244 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.398 -17.333 3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.824 -16.605 1.786 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.938 -14.465 4.328 1.00 0.00 N ATOM 1345 CA ASP A 107 0.414 -14.079 4.716 1.00 0.00 C ATOM 1346 C ASP A 107 1.351 -15.281 4.688 1.00 0.00 C ATOM 1347 O ASP A 107 0.958 -16.378 4.289 1.00 0.00 O ATOM 1348 CB ASP A 107 0.407 -13.454 6.113 1.00 0.00 C ATOM 1349 CG ASP A 107 -0.061 -14.426 7.179 1.00 0.00 C ATOM 1350 OD1 ASP A 107 0.575 -15.491 7.331 1.00 0.00 O ATOM 1351 OD2 ASP A 107 -1.060 -14.120 7.863 1.00 0.00 O ATOM 0 H ASP A 107 -1.632 -14.374 5.070 1.00 0.00 H new ATOM 0 HA ASP A 107 0.776 -13.343 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.411 -13.106 6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.242 -12.579 6.113 1.00 0.00 H new ATOM 1356 N ASP A 108 2.591 -15.068 5.114 1.00 0.00 N ATOM 1357 CA ASP A 108 3.586 -16.135 5.137 1.00 0.00 C ATOM 1358 C ASP A 108 3.156 -17.258 6.075 1.00 0.00 C ATOM 1359 O ASP A 108 3.319 -18.438 5.763 1.00 0.00 O ATOM 1360 CB ASP A 108 4.945 -15.584 5.570 1.00 0.00 C ATOM 1361 CG ASP A 108 6.066 -16.587 5.374 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.407 -16.874 4.208 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.601 -17.083 6.387 1.00 0.00 O ATOM 0 H ASP A 108 2.932 -14.167 5.448 1.00 0.00 H new ATOM 0 HA ASP A 108 3.672 -16.541 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.166 -14.681 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.899 -15.296 6.620 1.00 0.00 H new ATOM 1368 N LEU A 109 2.608 -16.884 7.226 1.00 0.00 N ATOM 1369 CA LEU A 109 2.156 -17.860 8.211 1.00 0.00 C ATOM 1370 C LEU A 109 1.053 -18.742 7.636 1.00 0.00 C ATOM 1371 O LEU A 109 0.911 -19.903 8.017 1.00 0.00 O ATOM 1372 CB LEU A 109 1.651 -17.148 9.468 1.00 0.00 C ATOM 1373 CG LEU A 109 2.574 -16.076 10.048 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.922 -15.400 11.244 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.914 -16.681 10.441 1.00 0.00 C ATOM 0 H LEU A 109 2.466 -15.912 7.500 1.00 0.00 H new ATOM 0 HA LEU A 109 3.003 -18.494 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.690 -16.687 9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.469 -17.898 10.238 1.00 0.00 H new ATOM 0 HG LEU A 109 2.749 -15.322 9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.594 -14.640 11.643 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.988 -14.932 10.933 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.716 -16.143 12.014 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.558 -15.903 10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.757 -17.456 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.388 -17.118 9.562 1.00 0.00 H new ATOM 1387 N GLY A 110 0.274 -18.184 6.713 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.804 -18.935 6.100 1.00 0.00 C ATOM 1389 C GLY A 110 -2.172 -18.458 6.545 1.00 0.00 C ATOM 1390 O GLY A 110 -3.160 -19.181 6.421 1.00 0.00 O ATOM 0 H GLY A 110 0.371 -17.225 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.729 -18.852 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.693 -19.991 6.347 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.229 -17.237 7.070 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.485 -16.665 7.538 1.00 0.00 C ATOM 1396 C GLN A 111 -3.929 -15.515 6.641 1.00 0.00 C ATOM 1397 O GLN A 111 -3.104 -14.752 6.139 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.341 -16.176 8.981 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.962 -17.275 9.961 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.415 -16.975 11.376 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.592 -17.122 11.708 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.481 -16.554 12.220 1.00 0.00 N ATOM 0 H GLN A 111 -1.420 -16.626 7.181 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.246 -17.445 7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.584 -15.392 9.016 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.281 -15.726 9.299 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.403 -18.217 9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.880 -17.409 9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.518 -16.446 11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.727 -16.338 13.186 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.237 -15.396 6.443 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.792 -14.338 5.607 1.00 0.00 C ATOM 1413 C LYS A 112 -5.844 -13.016 6.365 1.00 0.00 C ATOM 1414 O LYS A 112 -6.458 -12.923 7.428 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.195 -14.720 5.129 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.213 -15.908 4.183 1.00 0.00 C ATOM 1417 CD LYS A 112 -7.049 -15.470 2.737 1.00 0.00 C ATOM 1418 CE LYS A 112 -7.410 -16.589 1.772 1.00 0.00 C ATOM 1419 NZ LYS A 112 -7.414 -16.122 0.357 1.00 0.00 N ATOM 0 H LYS A 112 -5.934 -16.020 6.851 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.141 -14.215 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.816 -14.947 5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.646 -13.862 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.412 -16.598 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.152 -16.450 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.681 -14.603 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.019 -15.158 2.565 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.698 -17.407 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.393 -16.985 2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.665 -16.914 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.111 -15.358 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.469 -15.768 0.106 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.198 -11.995 5.811 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.173 -10.679 6.435 1.00 0.00 C ATOM 1435 C ILE A 113 -5.835 -9.635 5.541 1.00 0.00 C ATOM 1436 O ILE A 113 -5.804 -9.741 4.315 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.733 -10.231 6.748 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.920 -11.402 7.300 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.742 -9.072 7.735 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.540 -11.008 7.779 1.00 0.00 C ATOM 0 H ILE A 113 -4.685 -12.055 4.931 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.730 -10.762 7.368 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.264 -9.892 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.467 -11.856 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.823 -12.163 6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.717 -8.766 7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.290 -8.233 7.306 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.225 -9.386 8.660 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.021 -11.889 8.157 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.975 -10.582 6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.629 -10.269 8.576 1.00 0.00 H new ATOM 1452 N THR A 114 -6.435 -8.625 6.164 1.00 0.00 N ATOM 1453 CA THR A 114 -7.104 -7.561 5.427 1.00 0.00 C ATOM 1454 C THR A 114 -6.232 -6.314 5.349 1.00 0.00 C ATOM 1455 O THR A 114 -6.067 -5.596 6.337 1.00 0.00 O ATOM 1456 CB THR A 114 -8.452 -7.192 6.074 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.163 -8.381 6.439 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.300 -6.361 5.121 1.00 0.00 C ATOM 0 H THR A 114 -6.471 -8.522 7.178 1.00 0.00 H new ATOM 0 HA THR A 114 -7.284 -7.938 4.420 1.00 0.00 H new ATOM 0 HB THR A 114 -8.251 -6.601 6.967 1.00 0.00 H new ATOM 0 HG1 THR A 114 -10.018 -8.137 6.851 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.247 -6.112 5.600 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.769 -5.443 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.491 -6.932 4.212 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.678 -6.058 4.169 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.822 -4.894 3.962 1.00 0.00 C ATOM 1468 C LEU A 115 -5.637 -3.699 3.478 1.00 0.00 C ATOM 1469 O LEU A 115 -6.615 -3.856 2.748 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.722 -5.219 2.950 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.065 -6.594 3.090 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.975 -6.772 2.045 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.499 -6.773 4.491 1.00 0.00 C ATOM 0 H LEU A 115 -5.806 -6.640 3.341 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.364 -4.636 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.143 -5.140 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.946 -4.458 3.030 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.825 -7.358 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.519 -7.755 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.409 -6.687 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.215 -6.002 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.035 -7.756 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.752 -6.003 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.303 -6.689 5.222 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.226 -2.505 3.889 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.917 -1.282 3.499 1.00 0.00 C ATOM 1487 C TYR A 116 -4.989 -0.357 2.717 1.00 0.00 C ATOM 1488 O TYR A 116 -3.951 0.074 3.224 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.455 -0.558 4.734 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.731 -1.158 5.280 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.694 -2.182 6.219 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -8.973 -0.701 4.857 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.857 -2.734 6.719 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.142 -1.246 5.353 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.079 -2.263 6.283 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.239 -2.809 6.781 1.00 0.00 O ATOM 0 H TYR A 116 -4.417 -2.358 4.493 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.753 -1.557 2.855 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.694 -0.573 5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.634 0.488 4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.740 -2.552 6.563 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.026 0.094 4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.811 -3.530 7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.099 -0.878 5.015 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.011 -2.365 6.373 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.369 -0.054 1.481 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.572 0.820 0.628 1.00 0.00 C ATOM 1508 C LEU A 117 -5.120 2.243 0.645 1.00 0.00 C ATOM 1509 O LEU A 117 -6.306 2.466 0.404 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.552 0.287 -0.806 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.621 -0.897 -1.068 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.262 -2.195 -0.603 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.262 -0.976 -2.545 1.00 0.00 C ATOM 0 H LEU A 117 -6.224 -0.401 1.047 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.554 0.837 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.566 -0.007 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.267 1.102 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.704 -0.746 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.584 -3.026 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.467 -2.137 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.195 -2.354 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.599 -1.824 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.170 -1.103 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.759 -0.057 -2.847 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.247 3.205 0.930 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.643 4.608 0.976 1.00 0.00 C ATOM 1527 C ASN A 118 -3.875 5.425 -0.059 1.00 0.00 C ATOM 1528 O ASN A 118 -2.711 5.146 -0.346 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.404 5.180 2.375 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.576 4.940 3.306 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.621 4.439 2.891 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.407 5.298 4.574 1.00 0.00 N ATOM 0 H ASN A 118 -3.261 3.038 1.132 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.706 4.668 0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.507 4.729 2.800 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.217 6.251 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.161 5.161 5.247 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.523 5.710 4.874 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.535 6.435 -0.614 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.916 7.293 -1.618 1.00 0.00 C ATOM 1541 C PHE A 119 -2.897 8.232 -0.976 1.00 0.00 C ATOM 1542 O PHE A 119 -3.245 9.064 -0.138 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.982 8.106 -2.354 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.776 7.298 -3.340 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.144 6.609 -4.361 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.157 7.228 -3.244 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.872 5.864 -5.270 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.891 6.486 -4.150 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.248 5.803 -5.165 1.00 0.00 C ATOM 0 H PHE A 119 -5.499 6.680 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.398 6.656 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.662 8.544 -1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.501 8.932 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.068 6.654 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.665 7.759 -2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.366 5.331 -6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.967 6.440 -4.065 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.820 5.223 -5.874 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.637 8.089 -1.376 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.567 8.925 -0.841 1.00 0.00 C ATOM 1561 C VAL A 120 0.196 9.623 -1.961 1.00 0.00 C ATOM 1562 O VAL A 120 0.332 9.089 -3.060 1.00 0.00 O ATOM 1563 CB VAL A 120 0.423 8.098 0.001 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.303 7.395 1.139 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.158 7.095 -0.874 1.00 0.00 C ATOM 0 H VAL A 120 -1.332 7.404 -2.067 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.038 9.674 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 120 1.159 8.775 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.412 6.815 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.779 8.137 1.780 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.062 6.729 0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.853 6.520 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.438 6.420 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.710 7.625 -1.650 1.00 0.00 H new ATOM 1575 N GLU A 121 0.692 10.823 -1.673 1.00 0.00 N ATOM 1576 CA GLU A 121 1.442 11.595 -2.656 1.00 0.00 C ATOM 1577 C GLU A 121 2.907 11.720 -2.248 1.00 0.00 C ATOM 1578 O GLU A 121 3.804 11.675 -3.090 1.00 0.00 O ATOM 1579 CB GLU A 121 0.826 12.986 -2.821 1.00 0.00 C ATOM 1580 CG GLU A 121 0.711 13.760 -1.518 1.00 0.00 C ATOM 1581 CD GLU A 121 0.054 15.114 -1.700 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.255 15.732 -2.766 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.659 15.556 -0.775 1.00 0.00 O ATOM 0 H GLU A 121 0.588 11.281 -0.767 1.00 0.00 H new ATOM 0 HA GLU A 121 1.393 11.068 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.430 13.561 -3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.166 12.885 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.135 13.174 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.705 13.897 -1.092 1.00 0.00 H new ATOM 1590 N LYS A 122 3.142 11.877 -0.950 1.00 0.00 N ATOM 1591 CA LYS A 122 4.497 12.008 -0.427 1.00 0.00 C ATOM 1592 C LYS A 122 4.962 10.703 0.211 1.00 0.00 C ATOM 1593 O LYS A 122 4.239 10.094 1.000 1.00 0.00 O ATOM 1594 CB LYS A 122 4.563 13.142 0.598 1.00 0.00 C ATOM 1595 CG LYS A 122 4.660 14.523 -0.027 1.00 0.00 C ATOM 1596 CD LYS A 122 4.485 15.619 1.011 1.00 0.00 C ATOM 1597 CE LYS A 122 4.856 16.983 0.449 1.00 0.00 C ATOM 1598 NZ LYS A 122 3.775 17.542 -0.409 1.00 0.00 N ATOM 0 H LYS A 122 2.411 11.917 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 122 5.160 12.241 -1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.676 13.100 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.425 12.985 1.246 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.628 14.635 -0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.899 14.628 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.451 15.635 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.106 15.401 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.060 17.671 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 122 5.774 16.899 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.066 18.472 -0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.597 16.899 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.906 17.647 0.152 1.00 0.00 H new ATOM 1612 N VAL A 123 6.175 10.281 -0.133 1.00 0.00 N ATOM 1613 CA VAL A 123 6.738 9.050 0.409 1.00 0.00 C ATOM 1614 C VAL A 123 8.260 9.059 0.328 1.00 0.00 C ATOM 1615 O VAL A 123 8.834 9.454 -0.687 1.00 0.00 O ATOM 1616 CB VAL A 123 6.202 7.812 -0.336 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.916 6.555 0.134 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.699 7.685 -0.144 1.00 0.00 C ATOM 0 H VAL A 123 6.786 10.773 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 123 6.433 8.996 1.454 1.00 0.00 H new ATOM 0 HB VAL A 123 6.400 7.936 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.524 5.691 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.984 6.649 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.752 6.422 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.337 6.806 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.475 7.584 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.206 8.575 -0.535 1.00 0.00 H new ATOM 1628 N GLN A 124 8.907 8.622 1.402 1.00 0.00 N ATOM 1629 CA GLN A 124 10.364 8.580 1.452 1.00 0.00 C ATOM 1630 C GLN A 124 10.906 7.449 0.586 1.00 0.00 C ATOM 1631 O GLN A 124 11.446 6.467 1.096 1.00 0.00 O ATOM 1632 CB GLN A 124 10.841 8.407 2.895 1.00 0.00 C ATOM 1633 CG GLN A 124 10.338 7.132 3.553 1.00 0.00 C ATOM 1634 CD GLN A 124 10.321 7.223 5.066 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.514 8.297 5.637 1.00 0.00 O ATOM 1636 NE2 GLN A 124 10.092 6.093 5.725 1.00 0.00 N ATOM 0 H GLN A 124 8.446 8.292 2.250 1.00 0.00 H new ATOM 0 HA GLN A 124 10.743 9.525 1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.931 8.409 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.512 9.264 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.332 6.916 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.971 6.298 3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.937 5.225 5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.071 6.093 6.745 1.00 0.00 H new ATOM 1645 N TRP A 125 10.758 7.592 -0.726 1.00 0.00 N ATOM 1646 CA TRP A 125 11.233 6.582 -1.664 1.00 0.00 C ATOM 1647 C TRP A 125 12.724 6.320 -1.475 1.00 0.00 C ATOM 1648 O TRP A 125 13.133 5.198 -1.176 1.00 0.00 O ATOM 1649 CB TRP A 125 10.959 7.021 -3.103 1.00 0.00 C ATOM 1650 CG TRP A 125 9.498 7.117 -3.427 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.767 8.260 -3.582 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.593 6.027 -3.632 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.460 7.945 -3.873 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.328 6.582 -3.910 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.728 4.636 -3.611 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.209 5.793 -4.162 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.616 3.855 -3.861 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.370 4.435 -4.135 1.00 0.00 C ATOM 0 H TRP A 125 10.313 8.398 -1.164 1.00 0.00 H new ATOM 0 HA TRP A 125 10.692 5.657 -1.465 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.426 7.991 -3.275 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.430 6.315 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.157 9.263 -3.490 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.710 8.617 -4.035 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.685 4.180 -3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.247 6.238 -4.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.709 2.779 -3.845 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.520 3.797 -4.329 1.00 0.00 H new