USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 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 Single : A 2 THR OG1 : rot 3:sc= 0.771 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -1 (180deg=-1.23) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.821 F(o=-2.7!,f=-0.82) USER MOD Single : A 6 THR OG1 : rot -56:sc= 0.221 USER MOD Single : A 21 MET CE :methyl 155:sc= -0.21 (180deg=-1.34) USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= -1.79! (180deg=-2.47!) USER MOD Single : A 27 MET CE :methyl 177:sc= -2 (180deg=-2.1) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -6.71! C(o=-6.7!,f=-17!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.188 F(o=-0.73,f=-0.19) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.0163 (180deg=-0.324) USER MOD Single : A 62 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.1) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.52 USER MOD Single : A 71 GLN : amide:sc= -0.0539 X(o=-0.054,f=0.2) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.0026) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.188 -13.746 17.922 1.00 0.00 N ATOM 21 CA THR A 2 50.608 -13.425 18.008 1.00 0.00 C ATOM 22 C THR A 2 51.371 -14.060 16.857 1.00 0.00 C ATOM 23 O THR A 2 51.055 -15.172 16.434 1.00 0.00 O ATOM 24 CB THR A 2 51.197 -13.955 19.321 1.00 0.00 C ATOM 25 OG1 THR A 2 50.146 -14.403 20.166 1.00 0.00 O ATOM 26 CG2 THR A 2 51.982 -12.847 20.022 1.00 0.00 C ATOM 0 HA THR A 2 50.705 -12.340 17.964 1.00 0.00 H new ATOM 0 HB THR A 2 51.868 -14.786 19.104 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.289 -14.307 19.701 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.398 -13.230 20.954 1.00 0.00 H new ATOM 0 HG22 THR A 2 52.792 -12.509 19.375 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.317 -12.011 20.238 1.00 0.00 H new ATOM 34 N VAL A 3 52.410 -13.381 16.383 1.00 0.00 N ATOM 35 CA VAL A 3 53.226 -13.921 15.338 1.00 0.00 C ATOM 36 C VAL A 3 54.645 -13.545 15.600 1.00 0.00 C ATOM 37 O VAL A 3 54.955 -12.405 15.937 1.00 0.00 O ATOM 38 CB VAL A 3 52.832 -13.393 13.986 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.760 -14.284 13.402 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.313 -11.966 14.124 1.00 0.00 C ATOM 0 H VAL A 3 52.695 -12.459 16.714 1.00 0.00 H new ATOM 0 HA VAL A 3 53.094 -15.003 15.331 1.00 0.00 H new ATOM 0 HB VAL A 3 53.697 -13.388 13.323 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.469 -13.908 12.421 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.145 -15.299 13.302 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.892 -14.289 14.061 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.028 -11.586 13.143 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.445 -11.957 14.783 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.095 -11.334 14.545 1.00 0.00 H new ATOM 50 N LYS A 4 55.493 -14.512 15.441 1.00 0.00 N ATOM 51 CA LYS A 4 56.885 -14.312 15.656 1.00 0.00 C ATOM 52 C LYS A 4 57.672 -15.261 14.802 1.00 0.00 C ATOM 53 O LYS A 4 57.329 -16.436 14.674 1.00 0.00 O ATOM 54 CB LYS A 4 57.219 -14.527 17.114 1.00 0.00 C ATOM 55 CG LYS A 4 56.676 -15.890 17.588 1.00 0.00 C ATOM 56 CD LYS A 4 55.442 -15.706 18.498 1.00 0.00 C ATOM 57 CE LYS A 4 54.144 -15.658 17.668 1.00 0.00 C ATOM 58 NZ LYS A 4 53.148 -16.590 18.267 1.00 0.00 N ATOM 0 H LYS A 4 55.238 -15.458 15.159 1.00 0.00 H new ATOM 0 HA LYS A 4 57.145 -13.289 15.383 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.299 -14.488 17.257 1.00 0.00 H new ATOM 0 HB3 LYS A 4 56.788 -13.726 17.715 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.408 -16.499 16.725 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.455 -16.428 18.129 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.389 -16.526 19.215 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.544 -14.786 19.073 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.746 -14.643 17.650 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.348 -15.939 16.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.207 -16.395 17.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.418 -17.571 18.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.123 -16.456 19.298 1.00 0.00 H new ATOM 72 N GLN A 5 58.705 -14.741 14.183 1.00 0.00 N ATOM 73 CA GLN A 5 59.499 -15.562 13.298 1.00 0.00 C ATOM 74 C GLN A 5 60.970 -15.198 13.332 1.00 0.00 C ATOM 75 O GLN A 5 61.354 -14.065 13.607 1.00 0.00 O ATOM 76 CB GLN A 5 58.973 -15.382 11.889 1.00 0.00 C ATOM 77 CG GLN A 5 57.443 -15.346 11.923 1.00 0.00 C ATOM 78 CD GLN A 5 56.889 -15.354 10.503 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.860 -14.243 9.818 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.470 -16.398 10.004 1.00 0.00 N flip ATOM 0 H GLN A 5 59.012 -13.772 14.272 1.00 0.00 H new ATOM 0 HA GLN A 5 59.417 -16.598 13.628 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.361 -14.459 11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.315 -16.199 11.253 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.063 -16.206 12.475 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.104 -14.454 12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.493 -17.265 10.541 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.099 -16.396 9.054 1.00 0.00 H new ATOM 89 N THR A 6 61.781 -16.181 13.027 1.00 0.00 N ATOM 90 CA THR A 6 63.205 -16.005 12.986 1.00 0.00 C ATOM 91 C THR A 6 63.650 -15.851 11.541 1.00 0.00 C ATOM 92 O THR A 6 63.681 -16.826 10.790 1.00 0.00 O ATOM 93 CB THR A 6 63.871 -17.232 13.612 1.00 0.00 C ATOM 94 OG1 THR A 6 62.936 -17.884 14.460 1.00 0.00 O ATOM 95 CG2 THR A 6 65.088 -16.814 14.430 1.00 0.00 C ATOM 0 H THR A 6 61.468 -17.125 12.801 1.00 0.00 H new ATOM 0 HA THR A 6 63.491 -15.112 13.542 1.00 0.00 H new ATOM 0 HB THR A 6 64.194 -17.907 12.820 1.00 0.00 H new ATOM 0 HG1 THR A 6 62.599 -17.248 15.126 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.552 -17.697 14.869 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.806 -16.311 13.783 1.00 0.00 H new ATOM 0 HG23 THR A 6 64.777 -16.135 15.224 1.00 0.00 H new ATOM 103 N VAL A 7 63.985 -14.628 11.145 1.00 0.00 N ATOM 104 CA VAL A 7 64.412 -14.397 9.765 1.00 0.00 C ATOM 105 C VAL A 7 65.935 -14.350 9.662 1.00 0.00 C ATOM 106 O VAL A 7 66.583 -13.479 10.241 1.00 0.00 O ATOM 107 CB VAL A 7 63.810 -13.084 9.228 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.476 -13.223 7.731 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.531 -12.749 10.004 1.00 0.00 C ATOM 0 H VAL A 7 63.971 -13.799 11.740 1.00 0.00 H new ATOM 0 HA VAL A 7 64.051 -15.229 9.160 1.00 0.00 H new ATOM 0 HB VAL A 7 64.540 -12.285 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.051 -12.288 7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.385 -13.451 7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.754 -14.028 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.107 -11.820 9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.808 -13.556 9.880 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.767 -12.633 11.062 1.00 0.00 H new ATOM 119 N GLU A 8 66.496 -15.286 8.900 1.00 0.00 N ATOM 120 CA GLU A 8 67.940 -15.334 8.704 1.00 0.00 C ATOM 121 C GLU A 8 68.347 -14.242 7.726 1.00 0.00 C ATOM 122 O GLU A 8 67.773 -14.131 6.643 1.00 0.00 O ATOM 123 CB GLU A 8 68.353 -16.703 8.160 1.00 0.00 C ATOM 124 CG GLU A 8 68.002 -17.785 9.184 1.00 0.00 C ATOM 125 CD GLU A 8 68.464 -19.149 8.683 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.656 -20.028 9.507 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.618 -19.296 7.481 1.00 0.00 O ATOM 0 H GLU A 8 65.976 -16.016 8.412 1.00 0.00 H new ATOM 0 HA GLU A 8 68.441 -15.175 9.659 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.843 -16.900 7.217 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.423 -16.716 7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.476 -17.560 10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.926 -17.798 9.357 1.00 0.00 H new ATOM 134 N ILE A 9 69.312 -13.413 8.116 1.00 0.00 N ATOM 135 CA ILE A 9 69.735 -12.315 7.252 1.00 0.00 C ATOM 136 C ILE A 9 71.054 -12.590 6.566 1.00 0.00 C ATOM 137 O ILE A 9 71.966 -13.174 7.145 1.00 0.00 O ATOM 138 CB ILE A 9 69.906 -11.023 8.066 1.00 0.00 C ATOM 139 CG1 ILE A 9 68.950 -11.028 9.264 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.611 -9.821 7.171 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.416 -9.619 9.525 1.00 0.00 C ATOM 0 H ILE A 9 69.807 -13.477 9.006 1.00 0.00 H new ATOM 0 HA ILE A 9 68.953 -12.210 6.500 1.00 0.00 H new ATOM 0 HB ILE A 9 70.930 -10.960 8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.120 -11.709 9.073 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.468 -11.397 10.149 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.731 -8.902 7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.303 -9.816 6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.588 -9.886 6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.739 -9.639 10.379 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.248 -8.948 9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.880 -9.264 8.645 1.00 0.00 H new ATOM 311 N ALA A 20 62.400 -1.521 8.396 1.00 0.00 N ATOM 312 CA ALA A 20 62.573 -1.487 9.841 1.00 0.00 C ATOM 313 C ALA A 20 61.778 -0.353 10.464 1.00 0.00 C ATOM 314 O ALA A 20 61.221 -0.500 11.551 1.00 0.00 O ATOM 315 CB ALA A 20 64.059 -1.307 10.165 1.00 0.00 C ATOM 0 HA ALA A 20 62.207 -2.426 10.255 1.00 0.00 H new ATOM 0 HB1 ALA A 20 64.195 -1.281 11.246 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.626 -2.139 9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.415 -0.372 9.732 1.00 0.00 H new ATOM 321 N MET A 21 61.745 0.782 9.790 1.00 0.00 N ATOM 322 CA MET A 21 61.035 1.928 10.314 1.00 0.00 C ATOM 323 C MET A 21 59.565 1.934 9.902 1.00 0.00 C ATOM 324 O MET A 21 58.712 2.343 10.689 1.00 0.00 O ATOM 325 CB MET A 21 61.753 3.196 9.885 1.00 0.00 C ATOM 326 CG MET A 21 63.147 3.168 10.517 1.00 0.00 C ATOM 327 SD MET A 21 64.112 4.585 9.939 1.00 0.00 S ATOM 328 CE MET A 21 63.073 5.878 10.663 1.00 0.00 C ATOM 0 H MET A 21 62.197 0.932 8.888 1.00 0.00 H new ATOM 0 HA MET A 21 61.034 1.873 11.403 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.825 3.248 8.799 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.202 4.078 10.210 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.064 3.192 11.604 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.656 2.240 10.257 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.669 6.776 10.825 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.251 6.106 9.985 1.00 0.00 H new ATOM 0 HE3 MET A 21 62.672 5.532 11.616 1.00 0.00 H new ATOM 338 N LYS A 22 59.242 1.457 8.697 1.00 0.00 N ATOM 339 CA LYS A 22 57.833 1.419 8.302 1.00 0.00 C ATOM 340 C LYS A 22 57.041 0.772 9.423 1.00 0.00 C ATOM 341 O LYS A 22 56.006 1.278 9.830 1.00 0.00 O ATOM 342 CB LYS A 22 57.624 0.624 7.012 1.00 0.00 C ATOM 343 CG LYS A 22 58.751 0.930 6.039 1.00 0.00 C ATOM 344 CD LYS A 22 58.772 2.425 5.689 1.00 0.00 C ATOM 345 CE LYS A 22 57.422 2.846 5.098 1.00 0.00 C ATOM 346 NZ LYS A 22 56.872 1.738 4.268 1.00 0.00 N ATOM 0 H LYS A 22 59.904 1.106 8.005 1.00 0.00 H new ATOM 0 HA LYS A 22 57.496 2.439 8.119 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.598 -0.444 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.664 0.882 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.706 0.640 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.625 0.340 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.986 3.013 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 22 59.570 2.628 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.725 3.095 5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 22 57.543 3.743 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 56.237 2.129 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 57.653 1.230 3.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 56.342 1.080 4.874 1.00 0.00 H new ATOM 360 N LEU A 23 57.580 -0.326 9.949 1.00 0.00 N ATOM 361 CA LEU A 23 56.974 -1.038 11.055 1.00 0.00 C ATOM 362 C LEU A 23 56.290 -0.041 11.964 1.00 0.00 C ATOM 363 O LEU A 23 55.182 -0.255 12.450 1.00 0.00 O ATOM 364 CB LEU A 23 58.104 -1.714 11.830 1.00 0.00 C ATOM 365 CG LEU A 23 58.248 -3.183 11.430 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.035 -3.297 10.124 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.014 -3.912 12.525 1.00 0.00 C ATOM 0 H LEU A 23 58.450 -0.741 9.615 1.00 0.00 H new ATOM 0 HA LEU A 23 56.247 -1.768 10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.041 -1.190 11.643 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.908 -1.643 12.900 1.00 0.00 H new ATOM 0 HG LEU A 23 57.258 -3.619 11.294 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.132 -4.347 9.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.509 -2.761 9.334 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.026 -2.864 10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.125 -4.962 12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.000 -3.461 12.642 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.467 -3.836 13.465 1.00 0.00 H new ATOM 379 N PHE A 24 56.992 1.050 12.181 1.00 0.00 N ATOM 380 CA PHE A 24 56.516 2.117 13.032 1.00 0.00 C ATOM 381 C PHE A 24 55.421 2.921 12.326 1.00 0.00 C ATOM 382 O PHE A 24 54.273 2.971 12.778 1.00 0.00 O ATOM 383 CB PHE A 24 57.706 3.008 13.376 1.00 0.00 C ATOM 384 CG PHE A 24 58.958 2.168 13.605 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.215 2.785 13.561 1.00 0.00 C ATOM 386 CD2 PHE A 24 58.879 0.781 13.853 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.376 2.034 13.759 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.044 0.040 14.047 1.00 0.00 C ATOM 389 CZ PHE A 24 61.289 0.664 13.997 1.00 0.00 C ATOM 0 H PHE A 24 57.910 1.222 11.771 1.00 0.00 H new ATOM 0 HA PHE A 24 56.081 1.707 13.943 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.881 3.718 12.568 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.484 3.591 14.270 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.287 3.846 13.373 1.00 0.00 H new ATOM 0 HD2 PHE A 24 57.916 0.293 13.893 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.342 2.516 13.728 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.981 -1.021 14.237 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.188 0.084 14.143 1.00 0.00 H new ATOM 399 N GLU A 25 55.767 3.522 11.197 1.00 0.00 N ATOM 400 CA GLU A 25 54.782 4.283 10.438 1.00 0.00 C ATOM 401 C GLU A 25 53.677 3.340 10.001 1.00 0.00 C ATOM 402 O GLU A 25 52.544 3.749 9.747 1.00 0.00 O ATOM 403 CB GLU A 25 55.434 4.934 9.214 1.00 0.00 C ATOM 404 CG GLU A 25 56.207 6.181 9.646 1.00 0.00 C ATOM 405 CD GLU A 25 55.237 7.312 9.969 1.00 0.00 C ATOM 406 OE1 GLU A 25 55.087 7.621 11.140 1.00 0.00 O ATOM 407 OE2 GLU A 25 54.657 7.852 9.041 1.00 0.00 O ATOM 0 H GLU A 25 56.703 3.500 10.791 1.00 0.00 H new ATOM 0 HA GLU A 25 54.371 5.076 11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.107 4.227 8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.671 5.202 8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.818 5.955 10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 25 56.887 6.490 8.852 1.00 0.00 H new ATOM 414 N LEU A 26 54.026 2.064 9.950 1.00 0.00 N ATOM 415 CA LEU A 26 53.087 1.026 9.585 1.00 0.00 C ATOM 416 C LEU A 26 52.308 0.619 10.824 1.00 0.00 C ATOM 417 O LEU A 26 51.132 0.282 10.742 1.00 0.00 O ATOM 418 CB LEU A 26 53.836 -0.158 8.955 1.00 0.00 C ATOM 419 CG LEU A 26 53.006 -1.430 9.044 1.00 0.00 C ATOM 420 CD1 LEU A 26 53.017 -1.920 10.499 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.566 -1.159 8.549 1.00 0.00 C ATOM 0 H LEU A 26 54.965 1.724 10.160 1.00 0.00 H new ATOM 0 HA LEU A 26 52.380 1.390 8.840 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.062 0.062 7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.789 -0.304 9.464 1.00 0.00 H new ATOM 0 HG LEU A 26 53.430 -2.206 8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.426 -2.832 10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.043 -2.124 10.807 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.590 -1.152 11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.980 -2.075 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.107 -0.388 9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.595 -0.822 7.513 1.00 0.00 H new ATOM 433 N MET A 27 52.956 0.689 11.987 1.00 0.00 N ATOM 434 CA MET A 27 52.265 0.364 13.224 1.00 0.00 C ATOM 435 C MET A 27 50.983 1.174 13.221 1.00 0.00 C ATOM 436 O MET A 27 49.946 0.742 13.722 1.00 0.00 O ATOM 437 CB MET A 27 53.117 0.723 14.455 1.00 0.00 C ATOM 438 CG MET A 27 53.736 -0.541 15.061 1.00 0.00 C ATOM 439 SD MET A 27 54.204 -0.217 16.779 1.00 0.00 S ATOM 440 CE MET A 27 55.603 -1.362 16.854 1.00 0.00 C ATOM 0 H MET A 27 53.933 0.961 12.094 1.00 0.00 H new ATOM 0 HA MET A 27 52.067 -0.706 13.282 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.904 1.421 14.170 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.499 1.226 15.199 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.024 -1.365 15.016 1.00 0.00 H new ATOM 0 HG3 MET A 27 54.611 -0.843 14.485 1.00 0.00 H new ATOM 0 HE1 MET A 27 56.084 -1.285 17.829 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.247 -2.381 16.704 1.00 0.00 H new ATOM 0 HE3 MET A 27 56.322 -1.110 16.074 1.00 0.00 H new ATOM 450 N GLN A 28 51.069 2.347 12.593 1.00 0.00 N ATOM 451 CA GLN A 28 49.910 3.210 12.459 1.00 0.00 C ATOM 452 C GLN A 28 48.960 2.568 11.452 1.00 0.00 C ATOM 453 O GLN A 28 47.762 2.851 11.430 1.00 0.00 O ATOM 454 CB GLN A 28 50.354 4.610 11.994 1.00 0.00 C ATOM 455 CG GLN A 28 49.394 5.161 10.934 1.00 0.00 C ATOM 456 CD GLN A 28 49.727 6.620 10.640 1.00 0.00 C ATOM 457 OE1 GLN A 28 48.879 7.497 10.809 1.00 0.00 O ATOM 458 NE2 GLN A 28 50.918 6.933 10.207 1.00 0.00 N ATOM 0 H GLN A 28 51.924 2.713 12.175 1.00 0.00 H new ATOM 0 HA GLN A 28 49.399 3.327 13.415 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.389 5.288 12.847 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.363 4.559 11.586 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.469 4.571 10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 28 48.365 5.077 11.284 1.00 0.00 H new ATOM 0 HE21 GLN A 28 51.618 6.204 10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 28 51.149 7.906 10.008 1.00 0.00 H new ATOM 467 N GLY A 29 49.520 1.674 10.635 1.00 0.00 N ATOM 468 CA GLY A 29 48.740 0.949 9.631 1.00 0.00 C ATOM 469 C GLY A 29 48.190 -0.338 10.234 1.00 0.00 C ATOM 470 O GLY A 29 46.986 -0.592 10.196 1.00 0.00 O ATOM 0 H GLY A 29 50.511 1.435 10.649 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.921 1.573 9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.365 0.719 8.768 1.00 0.00 H new ATOM 474 N PHE A 30 49.082 -1.125 10.830 1.00 0.00 N ATOM 475 CA PHE A 30 48.684 -2.365 11.492 1.00 0.00 C ATOM 476 C PHE A 30 48.755 -2.147 12.993 1.00 0.00 C ATOM 477 O PHE A 30 49.703 -1.540 13.489 1.00 0.00 O ATOM 478 CB PHE A 30 49.618 -3.533 11.161 1.00 0.00 C ATOM 479 CG PHE A 30 49.768 -3.763 9.670 1.00 0.00 C ATOM 480 CD1 PHE A 30 51.045 -3.944 9.152 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.659 -3.842 8.822 1.00 0.00 C ATOM 482 CE1 PHE A 30 51.243 -4.200 7.801 1.00 0.00 C ATOM 483 CE2 PHE A 30 48.851 -4.093 7.454 1.00 0.00 C ATOM 484 CZ PHE A 30 50.148 -4.273 6.943 1.00 0.00 C ATOM 0 H PHE A 30 50.082 -0.927 10.868 1.00 0.00 H new ATOM 0 HA PHE A 30 47.680 -2.613 11.147 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.599 -3.341 11.595 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.236 -4.441 11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 30 51.898 -3.885 9.811 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.662 -3.711 9.216 1.00 0.00 H new ATOM 0 HE1 PHE A 30 52.242 -4.342 7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 30 47.999 -4.148 6.792 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.295 -4.467 5.891 1.00 0.00 H new ATOM 494 N ASP A 31 47.786 -2.672 13.725 1.00 0.00 N ATOM 495 CA ASP A 31 47.805 -2.546 15.163 1.00 0.00 C ATOM 496 C ASP A 31 48.441 -3.797 15.699 1.00 0.00 C ATOM 497 O ASP A 31 47.820 -4.858 15.727 1.00 0.00 O ATOM 498 CB ASP A 31 46.392 -2.384 15.715 1.00 0.00 C ATOM 499 CG ASP A 31 46.446 -2.083 17.209 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.838 -1.108 17.619 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.096 -2.831 17.922 1.00 0.00 O ATOM 0 H ASP A 31 46.988 -3.183 13.348 1.00 0.00 H new ATOM 0 HA ASP A 31 48.366 -1.661 15.465 1.00 0.00 H new ATOM 0 HB2 ASP A 31 45.879 -1.577 15.192 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.818 -3.294 15.540 1.00 0.00 H new ATOM 506 N ALA A 32 49.700 -3.693 16.072 1.00 0.00 N ATOM 507 CA ALA A 32 50.403 -4.837 16.540 1.00 0.00 C ATOM 508 C ALA A 32 51.709 -4.419 17.161 1.00 0.00 C ATOM 509 O ALA A 32 52.272 -3.374 16.832 1.00 0.00 O ATOM 510 CB ALA A 32 50.641 -5.779 15.378 1.00 0.00 C ATOM 0 H ALA A 32 50.241 -2.829 16.055 1.00 0.00 H new ATOM 0 HA ALA A 32 49.813 -5.349 17.300 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.180 -6.660 15.728 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.684 -6.084 14.955 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.231 -5.273 14.614 1.00 0.00 H new ATOM 516 N GLU A 33 52.168 -5.234 18.073 1.00 0.00 N ATOM 517 CA GLU A 33 53.389 -4.969 18.777 1.00 0.00 C ATOM 518 C GLU A 33 54.459 -5.924 18.322 1.00 0.00 C ATOM 519 O GLU A 33 54.644 -7.010 18.874 1.00 0.00 O ATOM 520 CB GLU A 33 53.104 -5.128 20.242 1.00 0.00 C ATOM 521 CG GLU A 33 53.663 -3.928 20.987 1.00 0.00 C ATOM 522 CD GLU A 33 53.546 -4.137 22.493 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.451 -4.425 22.947 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.552 -4.004 23.169 1.00 0.00 O ATOM 0 H GLU A 33 51.704 -6.100 18.347 1.00 0.00 H new ATOM 0 HA GLU A 33 53.749 -3.960 18.578 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.030 -5.209 20.410 1.00 0.00 H new ATOM 0 HB3 GLU A 33 53.555 -6.047 20.616 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.707 -3.777 20.714 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.124 -3.027 20.695 1.00 0.00 H new ATOM 531 N VAL A 34 55.132 -5.511 17.282 1.00 0.00 N ATOM 532 CA VAL A 34 56.170 -6.319 16.687 1.00 0.00 C ATOM 533 C VAL A 34 57.535 -6.003 17.280 1.00 0.00 C ATOM 534 O VAL A 34 57.996 -4.868 17.244 1.00 0.00 O ATOM 535 CB VAL A 34 56.128 -6.137 15.169 1.00 0.00 C ATOM 536 CG1 VAL A 34 54.695 -5.809 14.743 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.035 -5.003 14.732 1.00 0.00 C ATOM 0 H VAL A 34 54.980 -4.612 16.824 1.00 0.00 H new ATOM 0 HA VAL A 34 55.991 -7.370 16.913 1.00 0.00 H new ATOM 0 HB VAL A 34 56.469 -7.061 14.702 1.00 0.00 H new ATOM 0 HG11 VAL A 34 54.658 -5.678 13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 34 54.033 -6.625 15.032 1.00 0.00 H new ATOM 0 HG13 VAL A 34 54.372 -4.890 15.231 1.00 0.00 H new ATOM 0 HG21 VAL A 34 56.986 -4.895 13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.711 -4.075 15.204 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.061 -5.222 15.029 1.00 0.00 H new ATOM 547 N LEU A 35 58.161 -7.028 17.858 1.00 0.00 N ATOM 548 CA LEU A 35 59.462 -6.863 18.493 1.00 0.00 C ATOM 549 C LEU A 35 60.559 -7.529 17.661 1.00 0.00 C ATOM 550 O LEU A 35 60.472 -8.707 17.316 1.00 0.00 O ATOM 551 CB LEU A 35 59.397 -7.457 19.913 1.00 0.00 C ATOM 552 CG LEU A 35 60.783 -7.873 20.454 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.258 -9.184 19.800 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.810 -6.756 20.214 1.00 0.00 C ATOM 0 H LEU A 35 57.788 -7.976 17.898 1.00 0.00 H new ATOM 0 HA LEU A 35 59.709 -5.803 18.559 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.954 -6.725 20.588 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.739 -8.326 19.908 1.00 0.00 H new ATOM 0 HG LEU A 35 60.691 -8.040 21.527 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.236 -9.455 20.198 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.544 -9.979 20.018 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.330 -9.047 18.721 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.781 -7.065 20.601 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.891 -6.560 19.145 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.488 -5.849 20.726 1.00 0.00 H new ATOM 566 N LEU A 36 61.579 -6.746 17.326 1.00 0.00 N ATOM 567 CA LEU A 36 62.698 -7.224 16.517 1.00 0.00 C ATOM 568 C LEU A 36 63.932 -7.527 17.367 1.00 0.00 C ATOM 569 O LEU A 36 64.419 -6.665 18.090 1.00 0.00 O ATOM 570 CB LEU A 36 63.053 -6.140 15.513 1.00 0.00 C ATOM 571 CG LEU A 36 62.087 -6.205 14.340 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.660 -6.012 14.852 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.424 -5.092 13.358 1.00 0.00 C ATOM 0 H LEU A 36 61.655 -5.768 17.605 1.00 0.00 H new ATOM 0 HA LEU A 36 62.396 -8.148 16.024 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.003 -5.159 15.986 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.077 -6.273 15.164 1.00 0.00 H new ATOM 0 HG LEU A 36 62.170 -7.172 13.845 1.00 0.00 H new ATOM 0 HD11 LEU A 36 59.964 -6.058 14.015 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.420 -6.799 15.567 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.577 -5.041 15.340 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.736 -5.131 12.513 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.332 -4.127 13.856 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.446 -5.220 13.000 1.00 0.00 H new ATOM 585 N ARG A 37 64.443 -8.750 17.258 1.00 0.00 N ATOM 586 CA ARG A 37 65.619 -9.152 17.991 1.00 0.00 C ATOM 587 C ARG A 37 66.420 -10.166 17.217 1.00 0.00 C ATOM 588 O ARG A 37 65.915 -10.812 16.308 1.00 0.00 O ATOM 589 CB ARG A 37 65.249 -9.766 19.331 1.00 0.00 C ATOM 590 CG ARG A 37 64.675 -11.185 19.145 1.00 0.00 C ATOM 591 CD ARG A 37 65.630 -12.241 19.748 1.00 0.00 C ATOM 592 NE ARG A 37 64.979 -12.979 20.834 1.00 0.00 N ATOM 593 CZ ARG A 37 64.276 -12.370 21.786 1.00 0.00 C ATOM 594 NH1 ARG A 37 63.681 -13.078 22.706 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.195 -11.068 21.816 1.00 0.00 N ATOM 0 H ARG A 37 64.051 -9.478 16.662 1.00 0.00 H new ATOM 0 HA ARG A 37 66.213 -8.252 18.149 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.129 -9.806 19.973 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.516 -9.136 19.835 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.698 -11.254 19.624 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.524 -11.386 18.084 1.00 0.00 H new ATOM 0 HD2 ARG A 37 65.947 -12.936 18.970 1.00 0.00 H new ATOM 0 HD3 ARG A 37 66.529 -11.752 20.124 1.00 0.00 H new ATOM 0 HE ARG A 37 65.068 -13.995 20.861 1.00 0.00 H new ATOM 0 HH11 ARG A 37 63.755 -14.095 22.694 1.00 0.00 H new ATOM 0 HH12 ARG A 37 63.141 -12.614 23.437 1.00 0.00 H new ATOM 0 HH21 ARG A 37 64.672 -10.511 21.107 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.655 -10.607 22.548 1.00 0.00 H new ATOM 609 N ASN A 38 67.657 -10.331 17.626 1.00 0.00 N ATOM 610 CA ASN A 38 68.524 -11.311 16.999 1.00 0.00 C ATOM 611 C ASN A 38 68.926 -12.374 17.994 1.00 0.00 C ATOM 612 O ASN A 38 69.133 -12.098 19.183 1.00 0.00 O ATOM 613 CB ASN A 38 69.783 -10.684 16.411 1.00 0.00 C ATOM 614 CG ASN A 38 69.777 -9.181 16.548 1.00 0.00 C ATOM 615 OD1 ASN A 38 68.720 -8.556 16.608 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.920 -8.564 16.601 1.00 0.00 N ATOM 0 H ASN A 38 68.087 -9.804 18.386 1.00 0.00 H new ATOM 0 HA ASN A 38 67.952 -11.754 16.184 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.661 -11.091 16.913 1.00 0.00 H new ATOM 0 HB3 ASN A 38 69.865 -10.953 15.358 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.948 -7.549 16.694 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.789 -9.095 16.550 1.00 0.00 H new ATOM 623 N ASP A 39 69.047 -13.585 17.480 1.00 0.00 N ATOM 624 CA ASP A 39 69.435 -14.726 18.310 1.00 0.00 C ATOM 625 C ASP A 39 70.665 -14.392 19.143 1.00 0.00 C ATOM 626 O ASP A 39 71.062 -15.162 20.017 1.00 0.00 O ATOM 627 CB ASP A 39 69.732 -15.946 17.441 1.00 0.00 C ATOM 628 CG ASP A 39 70.145 -17.121 18.321 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.250 -17.608 18.145 1.00 0.00 O ATOM 630 OD2 ASP A 39 69.351 -17.518 19.158 1.00 0.00 O ATOM 0 H ASP A 39 68.885 -13.809 16.498 1.00 0.00 H new ATOM 0 HA ASP A 39 68.602 -14.952 18.976 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.851 -16.210 16.856 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.527 -15.714 16.732 1.00 0.00 H new ATOM 635 N GLU A 40 71.262 -13.240 18.868 1.00 0.00 N ATOM 636 CA GLU A 40 72.443 -12.815 19.602 1.00 0.00 C ATOM 637 C GLU A 40 72.048 -12.334 20.991 1.00 0.00 C ATOM 638 O GLU A 40 72.907 -12.065 21.831 1.00 0.00 O ATOM 639 CB GLU A 40 73.137 -11.673 18.852 1.00 0.00 C ATOM 640 CG GLU A 40 74.058 -12.243 17.770 1.00 0.00 C ATOM 641 CD GLU A 40 75.265 -12.917 18.412 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.910 -12.281 19.230 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.528 -14.060 18.077 1.00 0.00 O ATOM 0 H GLU A 40 70.950 -12.589 18.148 1.00 0.00 H new ATOM 0 HA GLU A 40 73.124 -13.661 19.692 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.392 -11.018 18.400 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.714 -11.066 19.550 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.512 -12.962 17.159 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.388 -11.445 17.105 1.00 0.00 H new ATOM 650 N GLY A 41 70.745 -12.206 21.220 1.00 0.00 N ATOM 651 CA GLY A 41 70.256 -11.732 22.503 1.00 0.00 C ATOM 652 C GLY A 41 69.978 -10.244 22.408 1.00 0.00 C ATOM 653 O GLY A 41 69.653 -9.589 23.398 1.00 0.00 O ATOM 0 H GLY A 41 70.017 -12.422 20.539 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.348 -12.267 22.781 1.00 0.00 H new ATOM 0 HA3 GLY A 41 70.993 -11.928 23.282 1.00 0.00 H new ATOM 657 N THR A 42 70.098 -9.723 21.189 1.00 0.00 N ATOM 658 CA THR A 42 69.846 -8.308 20.944 1.00 0.00 C ATOM 659 C THR A 42 68.378 -8.120 20.611 1.00 0.00 C ATOM 660 O THR A 42 67.861 -8.779 19.714 1.00 0.00 O ATOM 661 CB THR A 42 70.708 -7.810 19.783 1.00 0.00 C ATOM 662 OG1 THR A 42 72.047 -7.644 20.229 1.00 0.00 O ATOM 663 CG2 THR A 42 70.166 -6.472 19.278 1.00 0.00 C ATOM 0 H THR A 42 70.366 -10.256 20.362 1.00 0.00 H new ATOM 0 HA THR A 42 70.100 -7.735 21.836 1.00 0.00 H new ATOM 0 HB THR A 42 70.682 -8.537 18.972 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.602 -7.327 19.486 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.782 -6.119 18.451 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.139 -6.601 18.937 1.00 0.00 H new ATOM 0 HG23 THR A 42 70.191 -5.741 20.086 1.00 0.00 H new ATOM 671 N GLU A 43 67.704 -7.238 21.343 1.00 0.00 N ATOM 672 CA GLU A 43 66.280 -7.011 21.110 1.00 0.00 C ATOM 673 C GLU A 43 65.972 -5.562 20.776 1.00 0.00 C ATOM 674 O GLU A 43 66.407 -4.641 21.467 1.00 0.00 O ATOM 675 CB GLU A 43 65.481 -7.428 22.346 1.00 0.00 C ATOM 676 CG GLU A 43 65.799 -6.482 23.506 1.00 0.00 C ATOM 677 CD GLU A 43 65.301 -7.080 24.818 1.00 0.00 C ATOM 678 OE1 GLU A 43 65.373 -6.395 25.824 1.00 0.00 O ATOM 679 OE2 GLU A 43 64.854 -8.216 24.796 1.00 0.00 O ATOM 0 H GLU A 43 68.112 -6.677 22.091 1.00 0.00 H new ATOM 0 HA GLU A 43 65.993 -7.616 20.250 1.00 0.00 H new ATOM 0 HB2 GLU A 43 64.414 -7.404 22.126 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.727 -8.453 22.622 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.874 -6.309 23.561 1.00 0.00 H new ATOM 0 HG3 GLU A 43 65.328 -5.514 23.336 1.00 0.00 H new ATOM 686 N ALA A 44 65.205 -5.377 19.702 1.00 0.00 N ATOM 687 CA ALA A 44 64.818 -4.049 19.263 1.00 0.00 C ATOM 688 C ALA A 44 63.304 -3.886 19.250 1.00 0.00 C ATOM 689 O ALA A 44 62.596 -4.630 18.573 1.00 0.00 O ATOM 690 CB ALA A 44 65.349 -3.796 17.857 1.00 0.00 C ATOM 0 H ALA A 44 64.842 -6.135 19.124 1.00 0.00 H new ATOM 0 HA ALA A 44 65.242 -3.331 19.966 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.056 -2.798 17.532 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.436 -3.872 17.860 1.00 0.00 H new ATOM 0 HB3 ALA A 44 64.935 -4.537 17.173 1.00 0.00 H new ATOM 696 N GLU A 45 62.816 -2.891 19.982 1.00 0.00 N ATOM 697 CA GLU A 45 61.388 -2.622 20.026 1.00 0.00 C ATOM 698 C GLU A 45 60.978 -1.851 18.781 1.00 0.00 C ATOM 699 O GLU A 45 61.354 -0.691 18.611 1.00 0.00 O ATOM 700 CB GLU A 45 61.051 -1.802 21.271 1.00 0.00 C ATOM 701 CG GLU A 45 61.007 -2.722 22.487 1.00 0.00 C ATOM 702 CD GLU A 45 60.795 -1.903 23.755 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.837 -1.149 23.796 1.00 0.00 O ATOM 704 OE2 GLU A 45 61.593 -2.042 24.667 1.00 0.00 O ATOM 0 H GLU A 45 63.385 -2.262 20.549 1.00 0.00 H new ATOM 0 HA GLU A 45 60.846 -3.567 20.064 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.797 -1.021 21.419 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.090 -1.304 21.143 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.202 -3.448 22.375 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.937 -3.286 22.560 1.00 0.00 H new ATOM 711 N ALA A 46 60.217 -2.495 17.906 1.00 0.00 N ATOM 712 CA ALA A 46 59.787 -1.846 16.683 1.00 0.00 C ATOM 713 C ALA A 46 59.312 -0.425 16.955 1.00 0.00 C ATOM 714 O ALA A 46 58.144 -0.209 17.273 1.00 0.00 O ATOM 715 CB ALA A 46 58.648 -2.626 16.065 1.00 0.00 C ATOM 0 H ALA A 46 59.890 -3.454 18.021 1.00 0.00 H new ATOM 0 HA ALA A 46 60.638 -1.813 16.003 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.327 -2.135 15.146 1.00 0.00 H new ATOM 0 HB2 ALA A 46 58.981 -3.639 15.838 1.00 0.00 H new ATOM 0 HB3 ALA A 46 57.813 -2.667 16.765 1.00 0.00 H new ATOM 721 N ASN A 47 60.221 0.533 16.822 1.00 0.00 N ATOM 722 CA ASN A 47 59.899 1.940 17.050 1.00 0.00 C ATOM 723 C ASN A 47 61.145 2.672 17.518 1.00 0.00 C ATOM 724 O ASN A 47 61.282 3.879 17.322 1.00 0.00 O ATOM 725 CB ASN A 47 58.788 2.086 18.102 1.00 0.00 C ATOM 726 CG ASN A 47 58.850 3.463 18.758 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.786 4.534 18.015 1.00 0.00 O flip ATOM 728 ND2 ASN A 47 58.960 3.566 19.980 1.00 0.00 N flip ATOM 0 H ASN A 47 61.191 0.362 16.557 1.00 0.00 H new ATOM 0 HA ASN A 47 59.544 2.372 16.114 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.814 1.944 17.633 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.893 1.310 18.861 1.00 0.00 H new ATOM 0 HD21 ASN A 47 59.010 2.728 20.560 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.001 4.489 20.412 1.00 0.00 H new ATOM 735 N SER A 48 62.051 1.929 18.143 1.00 0.00 N ATOM 736 CA SER A 48 63.286 2.519 18.641 1.00 0.00 C ATOM 737 C SER A 48 64.436 2.263 17.670 1.00 0.00 C ATOM 738 O SER A 48 65.188 1.300 17.825 1.00 0.00 O ATOM 739 CB SER A 48 63.619 1.929 20.010 1.00 0.00 C ATOM 740 OG SER A 48 62.853 2.594 21.005 1.00 0.00 O ATOM 0 H SER A 48 61.955 0.928 18.315 1.00 0.00 H new ATOM 0 HA SER A 48 63.147 3.596 18.733 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.403 0.861 20.021 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.683 2.041 20.218 1.00 0.00 H new ATOM 0 HG SER A 48 63.062 2.217 21.885 1.00 0.00 H new ATOM 746 N VAL A 49 64.570 3.133 16.671 1.00 0.00 N ATOM 747 CA VAL A 49 65.638 2.990 15.685 1.00 0.00 C ATOM 748 C VAL A 49 66.947 2.633 16.376 1.00 0.00 C ATOM 749 O VAL A 49 67.774 1.904 15.830 1.00 0.00 O ATOM 750 CB VAL A 49 65.826 4.296 14.908 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.604 4.017 13.621 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.462 4.894 14.557 1.00 0.00 C ATOM 0 H VAL A 49 63.959 3.936 16.524 1.00 0.00 H new ATOM 0 HA VAL A 49 65.359 2.194 14.995 1.00 0.00 H new ATOM 0 HB VAL A 49 66.380 5.003 15.526 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.738 4.947 13.068 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.580 3.599 13.869 1.00 0.00 H new ATOM 0 HG13 VAL A 49 66.050 3.306 13.008 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.603 5.823 14.004 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.902 4.188 13.943 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.907 5.098 15.473 1.00 0.00 H new ATOM 762 N ILE A 50 67.118 3.155 17.584 1.00 0.00 N ATOM 763 CA ILE A 50 68.302 2.912 18.367 1.00 0.00 C ATOM 764 C ILE A 50 68.440 1.425 18.644 1.00 0.00 C ATOM 765 O ILE A 50 69.534 0.859 18.590 1.00 0.00 O ATOM 766 CB ILE A 50 68.141 3.706 19.667 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.323 4.661 19.849 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.027 2.777 20.869 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.642 3.877 19.858 1.00 0.00 C ATOM 0 H ILE A 50 66.434 3.758 18.040 1.00 0.00 H new ATOM 0 HA ILE A 50 69.204 3.227 17.842 1.00 0.00 H new ATOM 0 HB ILE A 50 67.220 4.285 19.599 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.334 5.395 19.044 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.213 5.213 20.782 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.914 3.369 21.777 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.159 2.130 20.747 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.927 2.167 20.944 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.475 4.568 19.988 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.634 3.160 20.679 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.756 3.345 18.913 1.00 0.00 H new ATOM 781 N ALA A 51 67.311 0.805 18.937 1.00 0.00 N ATOM 782 CA ALA A 51 67.281 -0.606 19.223 1.00 0.00 C ATOM 783 C ALA A 51 67.555 -1.384 17.945 1.00 0.00 C ATOM 784 O ALA A 51 68.313 -2.354 17.945 1.00 0.00 O ATOM 785 CB ALA A 51 65.916 -0.959 19.809 1.00 0.00 C ATOM 0 H ALA A 51 66.402 1.265 18.982 1.00 0.00 H new ATOM 0 HA ALA A 51 68.050 -0.869 19.950 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.880 -2.026 20.030 1.00 0.00 H new ATOM 0 HB2 ALA A 51 65.756 -0.392 20.726 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.136 -0.711 19.089 1.00 0.00 H new ATOM 791 N LEU A 52 66.962 -0.926 16.847 1.00 0.00 N ATOM 792 CA LEU A 52 67.177 -1.558 15.563 1.00 0.00 C ATOM 793 C LEU A 52 68.611 -1.297 15.126 1.00 0.00 C ATOM 794 O LEU A 52 69.236 -2.130 14.473 1.00 0.00 O ATOM 795 CB LEU A 52 66.194 -0.995 14.532 1.00 0.00 C ATOM 796 CG LEU A 52 64.793 -1.577 14.774 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.039 -0.690 15.768 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.024 -1.632 13.450 1.00 0.00 C ATOM 0 H LEU A 52 66.333 -0.123 16.827 1.00 0.00 H new ATOM 0 HA LEU A 52 67.010 -2.632 15.643 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.163 0.092 14.602 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.530 -1.240 13.524 1.00 0.00 H new ATOM 0 HG LEU A 52 64.883 -2.584 15.181 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.045 -1.101 15.941 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.586 -0.653 16.710 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.949 0.317 15.361 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.030 -2.045 13.623 1.00 0.00 H new ATOM 0 HD22 LEU A 52 63.932 -0.626 13.040 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.561 -2.264 12.743 1.00 0.00 H new ATOM 810 N LEU A 53 69.135 -0.136 15.520 1.00 0.00 N ATOM 811 CA LEU A 53 70.509 0.221 15.192 1.00 0.00 C ATOM 812 C LEU A 53 71.435 -0.929 15.574 1.00 0.00 C ATOM 813 O LEU A 53 72.335 -1.305 14.824 1.00 0.00 O ATOM 814 CB LEU A 53 70.910 1.488 15.961 1.00 0.00 C ATOM 815 CG LEU A 53 72.037 2.232 15.227 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.043 3.700 15.659 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.390 1.602 15.571 1.00 0.00 C ATOM 0 H LEU A 53 68.631 0.566 16.062 1.00 0.00 H new ATOM 0 HA LEU A 53 70.591 0.412 14.122 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.045 2.143 16.070 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.237 1.222 16.966 1.00 0.00 H new ATOM 0 HG LEU A 53 71.869 2.162 14.152 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.842 4.229 15.139 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.085 4.156 15.411 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.207 3.762 16.735 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.183 2.135 15.047 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.558 1.666 16.646 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.392 0.556 15.265 1.00 0.00 H new ATOM 829 N MET A 54 71.194 -1.485 16.755 1.00 0.00 N ATOM 830 CA MET A 54 71.994 -2.598 17.254 1.00 0.00 C ATOM 831 C MET A 54 72.086 -3.717 16.215 1.00 0.00 C ATOM 832 O MET A 54 73.175 -4.126 15.814 1.00 0.00 O ATOM 833 CB MET A 54 71.348 -3.151 18.531 1.00 0.00 C ATOM 834 CG MET A 54 72.384 -3.944 19.331 1.00 0.00 C ATOM 835 SD MET A 54 73.604 -2.805 20.036 1.00 0.00 S ATOM 836 CE MET A 54 72.966 -2.797 21.730 1.00 0.00 C ATOM 0 H MET A 54 70.451 -1.184 17.386 1.00 0.00 H new ATOM 0 HA MET A 54 73.000 -2.234 17.463 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.956 -2.333 19.135 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.504 -3.791 18.275 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.893 -4.506 20.126 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.879 -4.670 18.686 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.583 -2.145 22.348 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.939 -2.432 21.730 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.992 -3.809 22.133 1.00 0.00 H new ATOM 846 N LEU A 55 70.925 -4.212 15.806 1.00 0.00 N ATOM 847 CA LEU A 55 70.843 -5.300 14.828 1.00 0.00 C ATOM 848 C LEU A 55 70.848 -4.781 13.395 1.00 0.00 C ATOM 849 O LEU A 55 70.992 -5.555 12.450 1.00 0.00 O ATOM 850 CB LEU A 55 69.573 -6.117 15.078 1.00 0.00 C ATOM 851 CG LEU A 55 68.335 -5.202 15.084 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.812 -5.002 13.660 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.238 -5.840 15.944 1.00 0.00 C ATOM 0 H LEU A 55 70.020 -3.878 16.136 1.00 0.00 H new ATOM 0 HA LEU A 55 71.725 -5.929 14.953 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.466 -6.879 14.306 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.651 -6.639 16.032 1.00 0.00 H new ATOM 0 HG LEU A 55 68.614 -4.232 15.496 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.937 -4.353 13.682 1.00 0.00 H new ATOM 0 HD12 LEU A 55 68.589 -4.543 13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.537 -5.967 13.234 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.360 -5.195 15.951 1.00 0.00 H new ATOM 0 HD22 LEU A 55 66.971 -6.812 15.530 1.00 0.00 H new ATOM 0 HD23 LEU A 55 67.603 -5.967 16.963 1.00 0.00 H new ATOM 865 N ASP A 56 70.692 -3.476 13.236 1.00 0.00 N ATOM 866 CA ASP A 56 70.684 -2.885 11.905 1.00 0.00 C ATOM 867 C ASP A 56 71.898 -3.373 11.148 1.00 0.00 C ATOM 868 O ASP A 56 71.793 -3.880 10.031 1.00 0.00 O ATOM 869 CB ASP A 56 70.717 -1.356 11.995 1.00 0.00 C ATOM 870 CG ASP A 56 69.310 -0.812 12.219 1.00 0.00 C ATOM 871 OD1 ASP A 56 69.167 0.398 12.289 1.00 0.00 O ATOM 872 OD2 ASP A 56 68.396 -1.613 12.313 1.00 0.00 O ATOM 0 H ASP A 56 70.571 -2.812 14.001 1.00 0.00 H new ATOM 0 HA ASP A 56 69.772 -3.181 11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.369 -1.046 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 56 71.134 -0.939 11.078 1.00 0.00 H new ATOM 877 N SER A 57 73.051 -3.238 11.783 1.00 0.00 N ATOM 878 CA SER A 57 74.282 -3.691 11.180 1.00 0.00 C ATOM 879 C SER A 57 74.198 -5.189 10.944 1.00 0.00 C ATOM 880 O SER A 57 74.840 -5.711 10.035 1.00 0.00 O ATOM 881 CB SER A 57 75.466 -3.377 12.096 1.00 0.00 C ATOM 882 OG SER A 57 75.551 -4.371 13.109 1.00 0.00 O ATOM 0 H SER A 57 73.155 -2.821 12.708 1.00 0.00 H new ATOM 0 HA SER A 57 74.430 -3.176 10.231 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.390 -3.349 11.519 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.342 -2.392 12.546 1.00 0.00 H new ATOM 0 HG SER A 57 76.310 -4.174 13.697 1.00 0.00 H new ATOM 888 N ALA A 58 73.389 -5.875 11.767 1.00 0.00 N ATOM 889 CA ALA A 58 73.226 -7.327 11.627 1.00 0.00 C ATOM 890 C ALA A 58 74.543 -7.961 11.187 1.00 0.00 C ATOM 891 O ALA A 58 75.592 -7.324 11.255 1.00 0.00 O ATOM 892 CB ALA A 58 72.134 -7.624 10.602 1.00 0.00 C ATOM 0 H ALA A 58 72.847 -5.455 12.523 1.00 0.00 H new ATOM 0 HA ALA A 58 72.938 -7.750 12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.015 -8.703 10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.194 -7.185 10.935 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.413 -7.197 9.639 1.00 0.00 H new ATOM 898 N LYS A 59 74.488 -9.210 10.731 1.00 0.00 N ATOM 899 CA LYS A 59 75.691 -9.901 10.271 1.00 0.00 C ATOM 900 C LYS A 59 75.482 -11.407 10.264 1.00 0.00 C ATOM 901 O LYS A 59 76.133 -12.146 11.002 1.00 0.00 O ATOM 902 CB LYS A 59 76.896 -9.549 11.164 1.00 0.00 C ATOM 903 CG LYS A 59 77.797 -8.511 10.471 1.00 0.00 C ATOM 904 CD LYS A 59 78.851 -9.228 9.622 1.00 0.00 C ATOM 905 CE LYS A 59 79.769 -8.193 8.969 1.00 0.00 C ATOM 906 NZ LYS A 59 80.621 -7.556 10.013 1.00 0.00 N ATOM 0 H LYS A 59 73.632 -9.761 10.670 1.00 0.00 H new ATOM 0 HA LYS A 59 75.895 -9.570 9.253 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.546 -9.156 12.118 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.470 -10.450 11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.195 -7.854 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.283 -7.882 11.216 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.435 -9.907 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.366 -9.834 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.395 -8.670 8.215 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.175 -7.436 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.435 -7.093 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.063 -6.848 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.960 -8.283 10.676 1.00 0.00 H new ATOM 920 N GLY A 60 74.567 -11.855 9.425 1.00 0.00 N ATOM 921 CA GLY A 60 74.282 -13.278 9.333 1.00 0.00 C ATOM 922 C GLY A 60 73.458 -13.705 10.528 1.00 0.00 C ATOM 923 O GLY A 60 72.924 -14.812 10.576 1.00 0.00 O ATOM 0 H GLY A 60 74.014 -11.265 8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.743 -13.493 8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.212 -13.845 9.298 1.00 0.00 H new ATOM 927 N ARG A 61 73.348 -12.795 11.486 1.00 0.00 N ATOM 928 CA ARG A 61 72.576 -13.049 12.677 1.00 0.00 C ATOM 929 C ARG A 61 71.136 -13.263 12.280 1.00 0.00 C ATOM 930 O ARG A 61 70.633 -12.593 11.386 1.00 0.00 O ATOM 931 CB ARG A 61 72.681 -11.850 13.621 1.00 0.00 C ATOM 932 CG ARG A 61 74.144 -11.647 14.003 1.00 0.00 C ATOM 933 CD ARG A 61 74.321 -10.269 14.643 1.00 0.00 C ATOM 934 NE ARG A 61 75.631 -10.170 15.274 1.00 0.00 N ATOM 935 CZ ARG A 61 76.144 -8.991 15.611 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.318 -8.928 16.177 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.475 -7.897 15.373 1.00 0.00 N ATOM 0 H ARG A 61 73.787 -11.875 11.454 1.00 0.00 H new ATOM 0 HA ARG A 61 72.955 -13.934 13.188 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.290 -10.955 13.138 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.079 -12.019 14.513 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.460 -12.425 14.698 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.776 -11.733 13.119 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.215 -9.492 13.886 1.00 0.00 H new ATOM 0 HD3 ARG A 61 73.539 -10.101 15.384 1.00 0.00 H new ATOM 0 HE ARG A 61 76.163 -11.020 15.460 1.00 0.00 H new ATOM 0 HH11 ARG A 61 77.842 -9.784 16.361 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.712 -8.023 16.436 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.558 -7.946 14.928 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.868 -6.992 15.632 1.00 0.00 H new ATOM 951 N GLN A 62 70.468 -14.180 12.945 1.00 0.00 N ATOM 952 CA GLN A 62 69.077 -14.430 12.630 1.00 0.00 C ATOM 953 C GLN A 62 68.233 -13.563 13.531 1.00 0.00 C ATOM 954 O GLN A 62 68.525 -13.421 14.718 1.00 0.00 O ATOM 955 CB GLN A 62 68.728 -15.906 12.833 1.00 0.00 C ATOM 956 CG GLN A 62 68.828 -16.251 14.318 1.00 0.00 C ATOM 957 CD GLN A 62 69.187 -17.723 14.497 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.020 -18.254 13.762 1.00 0.00 O ATOM 959 NE2 GLN A 62 68.604 -18.417 15.436 1.00 0.00 N ATOM 0 H GLN A 62 70.855 -14.755 13.693 1.00 0.00 H new ATOM 0 HA GLN A 62 68.886 -14.190 11.584 1.00 0.00 H new ATOM 0 HB2 GLN A 62 67.720 -16.106 12.469 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.406 -16.534 12.256 1.00 0.00 H new ATOM 0 HG2 GLN A 62 69.583 -15.625 14.794 1.00 0.00 H new ATOM 0 HG3 GLN A 62 67.880 -16.038 14.812 1.00 0.00 H new ATOM 0 HE21 GLN A 62 67.914 -17.975 16.044 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.838 -19.402 15.562 1.00 0.00 H new ATOM 968 N ILE A 63 67.204 -12.966 12.967 1.00 0.00 N ATOM 969 CA ILE A 63 66.351 -12.097 13.729 1.00 0.00 C ATOM 970 C ILE A 63 65.082 -12.807 14.090 1.00 0.00 C ATOM 971 O ILE A 63 64.562 -13.615 13.329 1.00 0.00 O ATOM 972 CB ILE A 63 66.034 -10.859 12.915 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.384 -9.818 13.818 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.077 -11.221 11.778 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.465 -8.959 14.472 1.00 0.00 C ATOM 0 H ILE A 63 66.944 -13.070 11.986 1.00 0.00 H new ATOM 0 HA ILE A 63 66.864 -11.807 14.646 1.00 0.00 H new ATOM 0 HB ILE A 63 66.954 -10.455 12.493 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.708 -9.190 13.238 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.784 -10.310 14.583 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.851 -10.328 11.195 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.543 -11.967 11.134 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.154 -11.626 12.194 1.00 0.00 H new ATOM 0 HD11 ILE A 63 65.998 -8.215 15.117 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.123 -9.593 15.066 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.046 -8.455 13.700 1.00 0.00 H new ATOM 987 N GLU A 64 64.596 -12.478 15.259 1.00 0.00 N ATOM 988 CA GLU A 64 63.375 -13.060 15.765 1.00 0.00 C ATOM 989 C GLU A 64 62.314 -11.987 15.797 1.00 0.00 C ATOM 990 O GLU A 64 62.331 -11.101 16.656 1.00 0.00 O ATOM 991 CB GLU A 64 63.619 -13.645 17.163 1.00 0.00 C ATOM 992 CG GLU A 64 63.239 -15.126 17.192 1.00 0.00 C ATOM 993 CD GLU A 64 61.729 -15.284 17.060 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.020 -14.383 17.478 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.302 -16.303 16.542 1.00 0.00 O ATOM 0 H GLU A 64 65.032 -11.802 15.887 1.00 0.00 H new ATOM 0 HA GLU A 64 63.041 -13.873 15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 64 64.667 -13.526 17.437 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.033 -13.098 17.901 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.740 -15.653 16.380 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.579 -15.578 18.124 1.00 0.00 H new ATOM 1002 N VAL A 65 61.410 -12.051 14.832 1.00 0.00 N ATOM 1003 CA VAL A 65 60.361 -11.070 14.739 1.00 0.00 C ATOM 1004 C VAL A 65 59.172 -11.507 15.558 1.00 0.00 C ATOM 1005 O VAL A 65 58.822 -12.680 15.546 1.00 0.00 O ATOM 1006 CB VAL A 65 59.937 -10.941 13.280 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.190 -12.205 12.844 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.028 -9.727 13.134 1.00 0.00 C ATOM 0 H VAL A 65 61.388 -12.771 14.110 1.00 0.00 H new ATOM 0 HA VAL A 65 60.725 -10.114 15.116 1.00 0.00 H new ATOM 0 HB VAL A 65 60.818 -10.817 12.650 1.00 0.00 H new ATOM 0 HG11 VAL A 65 58.889 -12.108 11.801 1.00 0.00 H new ATOM 0 HG12 VAL A 65 59.844 -13.070 12.954 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.305 -12.337 13.466 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.720 -9.627 12.093 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.147 -9.854 13.763 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.566 -8.830 13.441 1.00 0.00 H new ATOM 1018 N GLU A 66 58.531 -10.573 16.248 1.00 0.00 N ATOM 1019 CA GLU A 66 57.347 -10.937 17.011 1.00 0.00 C ATOM 1020 C GLU A 66 56.323 -9.807 17.014 1.00 0.00 C ATOM 1021 O GLU A 66 56.566 -8.764 17.612 1.00 0.00 O ATOM 1022 CB GLU A 66 57.704 -11.285 18.454 1.00 0.00 C ATOM 1023 CG GLU A 66 56.410 -11.487 19.254 1.00 0.00 C ATOM 1024 CD GLU A 66 56.702 -12.254 20.540 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.738 -11.627 21.586 1.00 0.00 O ATOM 1026 OE2 GLU A 66 56.886 -13.458 20.459 1.00 0.00 O ATOM 0 H GLU A 66 58.799 -9.590 16.296 1.00 0.00 H new ATOM 0 HA GLU A 66 56.915 -11.813 16.526 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.310 -12.190 18.484 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.300 -10.487 18.897 1.00 0.00 H new ATOM 0 HG2 GLU A 66 55.965 -10.520 19.491 1.00 0.00 H new ATOM 0 HG3 GLU A 66 55.683 -12.033 18.653 1.00 0.00 H new ATOM 1033 N ALA A 67 55.169 -10.027 16.375 1.00 0.00 N ATOM 1034 CA ALA A 67 54.110 -9.022 16.334 1.00 0.00 C ATOM 1035 C ALA A 67 52.903 -9.504 17.125 1.00 0.00 C ATOM 1036 O ALA A 67 52.644 -10.703 17.199 1.00 0.00 O ATOM 1037 CB ALA A 67 53.737 -8.748 14.880 1.00 0.00 C ATOM 0 H ALA A 67 54.948 -10.892 15.881 1.00 0.00 H new ATOM 0 HA ALA A 67 54.461 -8.096 16.789 1.00 0.00 H new ATOM 0 HB1 ALA A 67 52.947 -7.998 14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.612 -8.381 14.343 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.386 -9.669 14.415 1.00 0.00 H new ATOM 1043 N THR A 68 52.180 -8.570 17.748 1.00 0.00 N ATOM 1044 CA THR A 68 51.031 -8.945 18.550 1.00 0.00 C ATOM 1045 C THR A 68 49.958 -7.855 18.551 1.00 0.00 C ATOM 1046 O THR A 68 50.076 -6.850 19.253 1.00 0.00 O ATOM 1047 CB THR A 68 51.486 -9.190 19.986 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.497 -10.186 20.001 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.297 -9.646 20.823 1.00 0.00 C ATOM 0 H THR A 68 52.371 -7.569 17.710 1.00 0.00 H new ATOM 0 HA THR A 68 50.598 -9.847 18.117 1.00 0.00 H new ATOM 0 HB THR A 68 51.888 -8.267 20.404 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.790 -10.341 20.923 1.00 0.00 H new ATOM 0 HG21 THR A 68 50.620 -9.821 21.849 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.527 -8.875 20.812 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.892 -10.569 20.407 1.00 0.00 H new ATOM 1057 N GLY A 69 48.906 -8.079 17.776 1.00 0.00 N ATOM 1058 CA GLY A 69 47.792 -7.139 17.695 1.00 0.00 C ATOM 1059 C GLY A 69 46.894 -7.461 16.502 1.00 0.00 C ATOM 1060 O GLY A 69 47.168 -8.371 15.729 1.00 0.00 O ATOM 0 H GLY A 69 48.799 -8.907 17.191 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.209 -7.179 18.615 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.174 -6.122 17.604 1.00 0.00 H new ATOM 1064 N PRO A 70 45.827 -6.741 16.344 1.00 0.00 N ATOM 1065 CA PRO A 70 44.866 -6.953 15.227 1.00 0.00 C ATOM 1066 C PRO A 70 45.527 -7.352 13.912 1.00 0.00 C ATOM 1067 O PRO A 70 45.127 -8.331 13.282 1.00 0.00 O ATOM 1068 CB PRO A 70 44.202 -5.591 15.111 1.00 0.00 C ATOM 1069 CG PRO A 70 44.132 -5.104 16.519 1.00 0.00 C ATOM 1070 CD PRO A 70 45.396 -5.631 17.213 1.00 0.00 C ATOM 0 HA PRO A 70 44.183 -7.779 15.427 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.783 -4.916 14.483 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.210 -5.667 14.665 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.093 -4.015 16.554 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.233 -5.471 17.014 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.163 -4.860 17.290 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.185 -5.973 18.226 1.00 0.00 H new ATOM 1078 N GLN A 71 46.513 -6.572 13.482 1.00 0.00 N ATOM 1079 CA GLN A 71 47.187 -6.849 12.204 1.00 0.00 C ATOM 1080 C GLN A 71 48.692 -7.097 12.371 1.00 0.00 C ATOM 1081 O GLN A 71 49.503 -6.604 11.588 1.00 0.00 O ATOM 1082 CB GLN A 71 46.955 -5.673 11.251 1.00 0.00 C ATOM 1083 CG GLN A 71 45.549 -5.768 10.645 1.00 0.00 C ATOM 1084 CD GLN A 71 45.061 -4.380 10.245 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.851 -4.111 9.062 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.868 -3.477 11.167 1.00 0.00 N ATOM 0 H GLN A 71 46.863 -5.756 13.984 1.00 0.00 H new ATOM 0 HA GLN A 71 46.759 -7.764 11.795 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.068 -4.731 11.787 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.704 -5.681 10.459 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.563 -6.423 9.774 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.862 -6.211 11.366 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.043 -3.703 12.146 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.542 -2.546 10.908 1.00 0.00 H new ATOM 1095 N GLU A 72 49.055 -7.876 13.379 1.00 0.00 N ATOM 1096 CA GLU A 72 50.457 -8.200 13.636 1.00 0.00 C ATOM 1097 C GLU A 72 51.073 -8.970 12.487 1.00 0.00 C ATOM 1098 O GLU A 72 52.244 -8.784 12.163 1.00 0.00 O ATOM 1099 CB GLU A 72 50.556 -9.033 14.924 1.00 0.00 C ATOM 1100 CG GLU A 72 49.279 -9.851 15.103 1.00 0.00 C ATOM 1101 CD GLU A 72 49.556 -11.107 15.920 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.709 -11.349 16.217 1.00 0.00 O ATOM 1103 OE2 GLU A 72 48.607 -11.806 16.235 1.00 0.00 O ATOM 0 H GLU A 72 48.399 -8.298 14.036 1.00 0.00 H new ATOM 0 HA GLU A 72 51.007 -7.265 13.745 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.420 -9.695 14.876 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.704 -8.378 15.783 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.521 -9.247 15.601 1.00 0.00 H new ATOM 0 HG3 GLU A 72 48.877 -10.126 14.128 1.00 0.00 H new ATOM 1110 N GLU A 73 50.295 -9.834 11.883 1.00 0.00 N ATOM 1111 CA GLU A 73 50.800 -10.626 10.780 1.00 0.00 C ATOM 1112 C GLU A 73 51.243 -9.719 9.642 1.00 0.00 C ATOM 1113 O GLU A 73 52.415 -9.688 9.289 1.00 0.00 O ATOM 1114 CB GLU A 73 49.718 -11.592 10.287 1.00 0.00 C ATOM 1115 CG GLU A 73 49.494 -12.701 11.330 1.00 0.00 C ATOM 1116 CD GLU A 73 49.755 -14.071 10.710 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.896 -14.929 10.834 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.810 -14.242 10.122 1.00 0.00 O ATOM 0 H GLU A 73 49.321 -10.008 12.130 1.00 0.00 H new ATOM 0 HA GLU A 73 51.658 -11.202 11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.788 -11.052 10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.016 -12.031 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.156 -12.548 12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.473 -12.654 11.708 1.00 0.00 H new ATOM 1125 N GLU A 74 50.306 -8.967 9.087 1.00 0.00 N ATOM 1126 CA GLU A 74 50.622 -8.058 7.991 1.00 0.00 C ATOM 1127 C GLU A 74 51.870 -7.246 8.312 1.00 0.00 C ATOM 1128 O GLU A 74 52.707 -6.990 7.449 1.00 0.00 O ATOM 1129 CB GLU A 74 49.448 -7.102 7.766 1.00 0.00 C ATOM 1130 CG GLU A 74 48.133 -7.823 8.053 1.00 0.00 C ATOM 1131 CD GLU A 74 46.966 -7.033 7.471 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.809 -5.883 7.846 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.246 -7.589 6.658 1.00 0.00 O ATOM 0 H GLU A 74 49.327 -8.966 9.373 1.00 0.00 H new ATOM 0 HA GLU A 74 50.803 -8.647 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.546 -6.232 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.456 -6.736 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.156 -8.824 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.002 -7.942 9.128 1.00 0.00 H new ATOM 1140 N ALA A 75 51.960 -6.828 9.561 1.00 0.00 N ATOM 1141 CA ALA A 75 53.077 -6.014 10.032 1.00 0.00 C ATOM 1142 C ALA A 75 54.386 -6.783 10.033 1.00 0.00 C ATOM 1143 O ALA A 75 55.339 -6.389 9.371 1.00 0.00 O ATOM 1144 CB ALA A 75 52.759 -5.523 11.455 1.00 0.00 C ATOM 0 H ALA A 75 51.267 -7.039 10.279 1.00 0.00 H new ATOM 0 HA ALA A 75 53.201 -5.172 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.584 -4.913 11.822 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.846 -4.927 11.439 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.621 -6.381 12.113 1.00 0.00 H new ATOM 1150 N LEU A 76 54.417 -7.869 10.773 1.00 0.00 N ATOM 1151 CA LEU A 76 55.600 -8.703 10.873 1.00 0.00 C ATOM 1152 C LEU A 76 55.789 -9.482 9.582 1.00 0.00 C ATOM 1153 O LEU A 76 56.907 -9.798 9.183 1.00 0.00 O ATOM 1154 CB LEU A 76 55.371 -9.615 12.081 1.00 0.00 C ATOM 1155 CG LEU A 76 55.880 -11.043 11.874 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.835 -11.745 13.234 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.979 -11.804 10.883 1.00 0.00 C ATOM 0 H LEU A 76 53.625 -8.201 11.323 1.00 0.00 H new ATOM 0 HA LEU A 76 56.513 -8.124 11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.867 -9.184 12.951 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.305 -9.647 12.305 1.00 0.00 H new ATOM 0 HG LEU A 76 56.891 -11.022 11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.192 -12.769 13.127 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.471 -11.211 13.940 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.810 -11.755 13.605 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.359 -12.817 10.750 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.962 -11.846 11.274 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.977 -11.288 9.923 1.00 0.00 H new ATOM 1169 N ALA A 77 54.674 -9.767 8.932 1.00 0.00 N ATOM 1170 CA ALA A 77 54.684 -10.496 7.671 1.00 0.00 C ATOM 1171 C ALA A 77 55.121 -9.583 6.529 1.00 0.00 C ATOM 1172 O ALA A 77 55.596 -10.054 5.494 1.00 0.00 O ATOM 1173 CB ALA A 77 53.279 -11.023 7.377 1.00 0.00 C ATOM 0 H ALA A 77 53.744 -9.504 9.257 1.00 0.00 H new ATOM 0 HA ALA A 77 55.387 -11.325 7.753 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.285 -11.569 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.965 -11.690 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.584 -10.186 7.308 1.00 0.00 H new ATOM 1179 N ALA A 78 54.963 -8.275 6.722 1.00 0.00 N ATOM 1180 CA ALA A 78 55.352 -7.317 5.693 1.00 0.00 C ATOM 1181 C ALA A 78 56.859 -7.111 5.739 1.00 0.00 C ATOM 1182 O ALA A 78 57.529 -7.039 4.703 1.00 0.00 O ATOM 1183 CB ALA A 78 54.622 -5.984 5.908 1.00 0.00 C ATOM 0 H ALA A 78 54.574 -7.860 7.569 1.00 0.00 H new ATOM 0 HA ALA A 78 55.074 -7.705 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.920 -5.277 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.545 -6.146 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.881 -5.581 6.887 1.00 0.00 H new ATOM 1189 N VAL A 79 57.392 -7.061 6.951 1.00 0.00 N ATOM 1190 CA VAL A 79 58.821 -6.905 7.130 1.00 0.00 C ATOM 1191 C VAL A 79 59.509 -8.137 6.584 1.00 0.00 C ATOM 1192 O VAL A 79 60.486 -8.052 5.847 1.00 0.00 O ATOM 1193 CB VAL A 79 59.152 -6.761 8.624 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.883 -6.469 9.407 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.761 -8.061 9.144 1.00 0.00 C ATOM 0 H VAL A 79 56.858 -7.126 7.817 1.00 0.00 H new ATOM 0 HA VAL A 79 59.162 -6.013 6.605 1.00 0.00 H new ATOM 0 HB VAL A 79 59.861 -5.942 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.124 -6.368 10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.438 -5.542 9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.176 -7.287 9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.994 -7.955 10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 79 59.050 -8.876 9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.674 -8.281 8.592 1.00 0.00 H new ATOM 1205 N ILE A 80 58.976 -9.283 6.981 1.00 0.00 N ATOM 1206 CA ILE A 80 59.509 -10.559 6.574 1.00 0.00 C ATOM 1207 C ILE A 80 59.729 -10.564 5.100 1.00 0.00 C ATOM 1208 O ILE A 80 60.848 -10.741 4.633 1.00 0.00 O ATOM 1209 CB ILE A 80 58.533 -11.639 6.998 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.708 -11.816 8.510 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.809 -12.947 6.240 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.491 -13.086 8.814 1.00 0.00 C ATOM 0 H ILE A 80 58.163 -9.346 7.594 1.00 0.00 H new ATOM 0 HA ILE A 80 60.472 -10.747 7.049 1.00 0.00 H new ATOM 0 HB ILE A 80 57.506 -11.360 6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.229 -10.953 8.925 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.731 -11.860 8.992 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.098 -13.709 6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.702 -12.776 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.823 -13.285 6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.605 -13.194 9.893 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.954 -13.948 8.418 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.475 -13.027 8.350 1.00 0.00 H new ATOM 1224 N ALA A 81 58.678 -10.322 4.361 1.00 0.00 N ATOM 1225 CA ALA A 81 58.831 -10.263 2.936 1.00 0.00 C ATOM 1226 C ALA A 81 60.036 -9.406 2.637 1.00 0.00 C ATOM 1227 O ALA A 81 60.702 -9.584 1.617 1.00 0.00 O ATOM 1228 CB ALA A 81 57.606 -9.652 2.288 1.00 0.00 C ATOM 0 H ALA A 81 57.733 -10.167 4.712 1.00 0.00 H new ATOM 0 HA ALA A 81 58.957 -11.270 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.745 -9.618 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.730 -10.257 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.460 -8.641 2.667 1.00 0.00 H new ATOM 1234 N LEU A 82 60.342 -8.490 3.561 1.00 0.00 N ATOM 1235 CA LEU A 82 61.505 -7.654 3.381 1.00 0.00 C ATOM 1236 C LEU A 82 62.692 -8.296 4.076 1.00 0.00 C ATOM 1237 O LEU A 82 63.794 -8.333 3.530 1.00 0.00 O ATOM 1238 CB LEU A 82 61.250 -6.242 3.902 1.00 0.00 C ATOM 1239 CG LEU A 82 61.896 -5.236 2.941 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.393 -5.551 2.810 1.00 0.00 C ATOM 1241 CD2 LEU A 82 61.219 -5.332 1.560 1.00 0.00 C ATOM 0 H LEU A 82 59.810 -8.320 4.414 1.00 0.00 H new ATOM 0 HA LEU A 82 61.725 -7.565 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 82 60.179 -6.056 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.666 -6.128 4.903 1.00 0.00 H new ATOM 0 HG LEU A 82 61.771 -4.225 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.856 -4.838 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.867 -5.478 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.520 -6.561 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.679 -4.617 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.341 -6.340 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 82 60.157 -5.107 1.659 1.00 0.00 H new ATOM 1253 N PHE A 83 62.456 -8.841 5.268 1.00 0.00 N ATOM 1254 CA PHE A 83 63.522 -9.511 5.975 1.00 0.00 C ATOM 1255 C PHE A 83 63.954 -10.692 5.132 1.00 0.00 C ATOM 1256 O PHE A 83 65.133 -11.039 5.061 1.00 0.00 O ATOM 1257 CB PHE A 83 63.083 -9.988 7.354 1.00 0.00 C ATOM 1258 CG PHE A 83 63.108 -8.866 8.365 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.201 -9.191 9.720 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.043 -7.519 7.970 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.232 -8.185 10.681 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.073 -6.512 8.940 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.169 -6.852 10.294 1.00 0.00 C ATOM 0 H PHE A 83 61.556 -8.829 5.747 1.00 0.00 H new ATOM 0 HA PHE A 83 64.344 -8.813 6.132 1.00 0.00 H new ATOM 0 HB2 PHE A 83 62.076 -10.401 7.293 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.738 -10.793 7.687 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.249 -10.226 10.023 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.970 -7.263 6.923 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.305 -8.440 11.728 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.022 -5.474 8.645 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.194 -6.074 11.042 1.00 0.00 H new ATOM 1273 N ASN A 84 62.970 -11.275 4.458 1.00 0.00 N ATOM 1274 CA ASN A 84 63.208 -12.387 3.569 1.00 0.00 C ATOM 1275 C ASN A 84 63.611 -11.823 2.232 1.00 0.00 C ATOM 1276 O ASN A 84 64.117 -12.517 1.349 1.00 0.00 O ATOM 1277 CB ASN A 84 61.922 -13.200 3.429 1.00 0.00 C ATOM 1278 CG ASN A 84 62.212 -14.695 3.526 1.00 0.00 C ATOM 1279 OD1 ASN A 84 63.115 -15.200 2.859 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.492 -15.435 4.324 1.00 0.00 N ATOM 0 H ASN A 84 61.993 -10.987 4.517 1.00 0.00 H new ATOM 0 HA ASN A 84 63.993 -13.038 3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 84 61.217 -12.911 4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.449 -12.978 2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.677 -16.436 4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.745 -15.013 4.875 1.00 0.00 H new ATOM 1287 N SER A 85 63.365 -10.539 2.122 1.00 0.00 N ATOM 1288 CA SER A 85 63.679 -9.795 0.908 1.00 0.00 C ATOM 1289 C SER A 85 62.915 -10.367 -0.283 1.00 0.00 C ATOM 1290 O SER A 85 62.161 -9.624 -0.890 1.00 0.00 O ATOM 1291 CB SER A 85 65.181 -9.858 0.631 1.00 0.00 C ATOM 1292 OG SER A 85 65.530 -8.840 -0.298 1.00 0.00 O ATOM 1293 OXT SER A 85 63.096 -11.538 -0.570 1.00 0.00 O ATOM 0 H SER A 85 62.945 -9.976 2.862 1.00 0.00 H new ATOM 0 HA SER A 85 63.380 -8.757 1.053 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.739 -9.727 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.448 -10.837 0.233 1.00 0.00 H new ATOM 0 HG SER A 85 66.493 -8.876 -0.477 1.00 0.00 H new