USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0762 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 165:sc= -0.0126 (180deg=-0.471) USER MOD Single : A 28 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.4!) USER MOD Single : A 38 ASN : amide:sc= -9.25! C(o=-9.2!,f=-16!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -1.67! C(o=-4.6!,f=-1.7!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -132:sc=-0.00863 (180deg=-0.261) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.0263 (180deg=-0.325) USER MOD Single : A 62 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.634 -13.061 14.368 1.00 0.00 N ATOM 35 CA VAL A 3 54.526 -13.775 13.464 1.00 0.00 C ATOM 36 C VAL A 3 55.946 -13.228 13.569 1.00 0.00 C ATOM 37 O VAL A 3 56.186 -12.048 13.316 1.00 0.00 O ATOM 38 CB VAL A 3 54.030 -13.639 12.024 1.00 0.00 C ATOM 39 CG1 VAL A 3 54.914 -14.475 11.097 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.585 -14.136 11.935 1.00 0.00 C ATOM 0 HA VAL A 3 54.532 -14.828 13.747 1.00 0.00 H new ATOM 0 HB VAL A 3 54.075 -12.593 11.722 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.560 -14.377 10.071 1.00 0.00 H new ATOM 0 HG12 VAL A 3 55.943 -14.123 11.161 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.870 -15.522 11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.230 -14.040 10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.541 -15.182 12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 3 51.954 -13.540 12.595 1.00 0.00 H new ATOM 50 N LYS A 4 56.882 -14.093 13.945 1.00 0.00 N ATOM 51 CA LYS A 4 58.276 -13.683 14.080 1.00 0.00 C ATOM 52 C LYS A 4 59.179 -14.561 13.221 1.00 0.00 C ATOM 53 O LYS A 4 58.722 -15.523 12.603 1.00 0.00 O ATOM 54 CB LYS A 4 58.709 -13.782 15.545 1.00 0.00 C ATOM 55 CG LYS A 4 58.399 -15.183 16.076 1.00 0.00 C ATOM 56 CD LYS A 4 58.557 -15.199 17.598 1.00 0.00 C ATOM 57 CE LYS A 4 58.334 -16.620 18.119 1.00 0.00 C ATOM 58 NZ LYS A 4 58.493 -16.636 19.601 1.00 0.00 N ATOM 0 H LYS A 4 56.704 -15.074 14.160 1.00 0.00 H new ATOM 0 HA LYS A 4 58.366 -12.650 13.743 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.775 -13.575 15.635 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.188 -13.032 16.141 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.384 -15.471 15.802 1.00 0.00 H new ATOM 0 HG3 LYS A 4 59.070 -15.912 15.622 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.552 -14.851 17.875 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.842 -14.516 18.056 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.338 -16.967 17.846 1.00 0.00 H new ATOM 0 HE3 LYS A 4 59.047 -17.304 17.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 58.342 -17.602 19.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 59.452 -16.322 19.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 57.796 -15.996 20.032 1.00 0.00 H new ATOM 72 N GLN A 5 60.464 -14.223 13.187 1.00 0.00 N ATOM 73 CA GLN A 5 61.425 -14.988 12.400 1.00 0.00 C ATOM 74 C GLN A 5 62.852 -14.624 12.798 1.00 0.00 C ATOM 75 O GLN A 5 63.200 -13.447 12.889 1.00 0.00 O ATOM 76 CB GLN A 5 61.222 -14.707 10.910 1.00 0.00 C ATOM 77 CG GLN A 5 61.989 -15.743 10.086 1.00 0.00 C ATOM 78 CD GLN A 5 61.041 -16.836 9.605 1.00 0.00 C ATOM 79 OE1 GLN A 5 60.280 -17.391 10.397 1.00 0.00 O ATOM 80 NE2 GLN A 5 61.039 -17.177 8.345 1.00 0.00 N ATOM 0 H GLN A 5 60.862 -13.431 13.691 1.00 0.00 H new ATOM 0 HA GLN A 5 61.264 -16.048 12.594 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.161 -14.744 10.663 1.00 0.00 H new ATOM 0 HB3 GLN A 5 61.571 -13.703 10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 5 62.464 -15.261 9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 5 62.785 -16.181 10.688 1.00 0.00 H new ATOM 0 HE21 GLN A 5 61.671 -16.715 7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 5 60.406 -17.905 8.015 1.00 0.00 H new ATOM 89 N THR A 6 63.673 -15.642 13.036 1.00 0.00 N ATOM 90 CA THR A 6 65.060 -15.416 13.426 1.00 0.00 C ATOM 91 C THR A 6 65.925 -15.139 12.200 1.00 0.00 C ATOM 92 O THR A 6 65.948 -15.926 11.254 1.00 0.00 O ATOM 93 CB THR A 6 65.600 -16.642 14.166 1.00 0.00 C ATOM 94 OG1 THR A 6 64.551 -17.583 14.348 1.00 0.00 O ATOM 95 CG2 THR A 6 66.148 -16.217 15.529 1.00 0.00 C ATOM 0 H THR A 6 63.405 -16.624 12.966 1.00 0.00 H new ATOM 0 HA THR A 6 65.095 -14.548 14.084 1.00 0.00 H new ATOM 0 HB THR A 6 66.400 -17.097 13.581 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.895 -18.370 14.820 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.532 -17.091 16.055 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.952 -15.495 15.389 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.350 -15.762 16.116 1.00 0.00 H new ATOM 103 N VAL A 7 66.634 -14.015 12.225 1.00 0.00 N ATOM 104 CA VAL A 7 67.499 -13.644 11.111 1.00 0.00 C ATOM 105 C VAL A 7 68.895 -13.286 11.613 1.00 0.00 C ATOM 106 O VAL A 7 69.046 -12.485 12.536 1.00 0.00 O ATOM 107 CB VAL A 7 66.902 -12.451 10.362 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.856 -12.019 9.246 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.556 -12.852 9.755 1.00 0.00 C ATOM 0 H VAL A 7 66.627 -13.350 12.998 1.00 0.00 H new ATOM 0 HA VAL A 7 67.576 -14.496 10.435 1.00 0.00 H new ATOM 0 HB VAL A 7 66.756 -11.623 11.056 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.431 -11.169 8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.815 -11.733 9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 7 68.003 -12.847 8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.130 -12.002 9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.702 -13.680 9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.876 -13.159 10.549 1.00 0.00 H new ATOM 119 N GLU A 8 69.910 -13.885 11.000 1.00 0.00 N ATOM 120 CA GLU A 8 71.290 -13.622 11.394 1.00 0.00 C ATOM 121 C GLU A 8 71.720 -12.230 10.944 1.00 0.00 C ATOM 122 O GLU A 8 71.411 -11.803 9.832 1.00 0.00 O ATOM 123 CB GLU A 8 72.217 -14.671 10.776 1.00 0.00 C ATOM 124 CG GLU A 8 71.714 -16.071 11.130 1.00 0.00 C ATOM 125 CD GLU A 8 70.702 -16.540 10.090 1.00 0.00 C ATOM 126 OE1 GLU A 8 70.221 -15.706 9.342 1.00 0.00 O ATOM 127 OE2 GLU A 8 70.423 -17.727 10.058 1.00 0.00 O ATOM 0 H GLU A 8 69.805 -14.551 10.234 1.00 0.00 H new ATOM 0 HA GLU A 8 71.355 -13.675 12.481 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.251 -14.549 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.234 -14.535 11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 8 72.552 -16.767 11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 8 71.255 -16.062 12.118 1.00 0.00 H new ATOM 134 N ILE A 9 72.435 -11.527 11.817 1.00 0.00 N ATOM 135 CA ILE A 9 72.904 -10.184 11.500 1.00 0.00 C ATOM 136 C ILE A 9 74.286 -10.236 10.857 1.00 0.00 C ATOM 137 O ILE A 9 75.278 -10.540 11.518 1.00 0.00 O ATOM 138 CB ILE A 9 72.965 -9.338 12.773 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.549 -9.138 13.319 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.583 -7.976 12.454 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.613 -8.739 12.176 1.00 0.00 C ATOM 0 H ILE A 9 72.700 -11.863 12.743 1.00 0.00 H new ATOM 0 HA ILE A 9 72.205 -9.733 10.796 1.00 0.00 H new ATOM 0 HB ILE A 9 73.576 -9.848 13.518 1.00 0.00 H new ATOM 0 HG12 ILE A 9 71.196 -10.056 13.789 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.550 -8.366 14.089 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.626 -7.374 13.362 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.591 -8.116 12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 9 72.973 -7.465 11.709 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.605 -8.597 12.564 1.00 0.00 H new ATOM 0 HD12 ILE A 9 70.963 -7.810 11.726 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.603 -9.526 11.422 1.00 0.00 H new ATOM 297 N PRO A 19 67.181 0.073 6.325 1.00 0.00 N ATOM 298 CA PRO A 19 66.228 -0.971 6.800 1.00 0.00 C ATOM 299 C PRO A 19 65.551 -0.577 8.109 1.00 0.00 C ATOM 300 O PRO A 19 64.324 -0.545 8.200 1.00 0.00 O ATOM 301 CB PRO A 19 67.109 -2.209 6.991 1.00 0.00 C ATOM 302 CG PRO A 19 68.285 -2.004 6.095 1.00 0.00 C ATOM 303 CD PRO A 19 68.491 -0.494 5.975 1.00 0.00 C ATOM 0 HA PRO A 19 65.411 -1.130 6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.421 -2.312 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.569 -3.119 6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.173 -2.484 6.507 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.107 -2.449 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.271 -0.143 6.650 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.792 -0.211 4.966 1.00 0.00 H new ATOM 311 N ALA A 20 66.359 -0.279 9.121 1.00 0.00 N ATOM 312 CA ALA A 20 65.828 0.112 10.422 1.00 0.00 C ATOM 313 C ALA A 20 64.982 1.376 10.297 1.00 0.00 C ATOM 314 O ALA A 20 63.902 1.471 10.879 1.00 0.00 O ATOM 315 CB ALA A 20 66.975 0.359 11.402 1.00 0.00 C ATOM 0 H ALA A 20 67.377 -0.300 9.067 1.00 0.00 H new ATOM 0 HA ALA A 20 65.200 -0.697 10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.569 0.651 12.371 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.561 -0.553 11.514 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.614 1.156 11.021 1.00 0.00 H new ATOM 321 N MET A 21 65.480 2.342 9.533 1.00 0.00 N ATOM 322 CA MET A 21 64.762 3.595 9.337 1.00 0.00 C ATOM 323 C MET A 21 63.469 3.358 8.563 1.00 0.00 C ATOM 324 O MET A 21 62.416 3.885 8.918 1.00 0.00 O ATOM 325 CB MET A 21 65.641 4.588 8.574 1.00 0.00 C ATOM 326 CG MET A 21 66.664 5.206 9.529 1.00 0.00 C ATOM 327 SD MET A 21 67.583 6.507 8.670 1.00 0.00 S ATOM 328 CE MET A 21 68.694 6.935 10.033 1.00 0.00 C ATOM 0 H MET A 21 66.372 2.282 9.042 1.00 0.00 H new ATOM 0 HA MET A 21 64.515 4.006 10.316 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.152 4.082 7.755 1.00 0.00 H new ATOM 0 HB3 MET A 21 65.024 5.369 8.130 1.00 0.00 H new ATOM 0 HG2 MET A 21 66.159 5.619 10.402 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.350 4.439 9.890 1.00 0.00 H new ATOM 0 HE1 MET A 21 69.364 7.735 9.719 1.00 0.00 H new ATOM 0 HE2 MET A 21 68.108 7.268 10.889 1.00 0.00 H new ATOM 0 HE3 MET A 21 69.280 6.060 10.313 1.00 0.00 H new ATOM 338 N LYS A 22 63.558 2.559 7.505 1.00 0.00 N ATOM 339 CA LYS A 22 62.389 2.257 6.687 1.00 0.00 C ATOM 340 C LYS A 22 61.322 1.552 7.519 1.00 0.00 C ATOM 341 O LYS A 22 60.128 1.799 7.351 1.00 0.00 O ATOM 342 CB LYS A 22 62.791 1.369 5.508 1.00 0.00 C ATOM 343 CG LYS A 22 61.736 1.475 4.406 1.00 0.00 C ATOM 344 CD LYS A 22 61.929 0.335 3.403 1.00 0.00 C ATOM 345 CE LYS A 22 62.967 0.747 2.357 1.00 0.00 C ATOM 346 NZ LYS A 22 62.847 -0.138 1.163 1.00 0.00 N ATOM 0 H LYS A 22 64.421 2.112 7.195 1.00 0.00 H new ATOM 0 HA LYS A 22 61.979 3.194 6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.765 1.674 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 22 62.888 0.334 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 22 60.737 1.428 4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 22 61.819 2.437 3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 22 62.256 -0.567 3.920 1.00 0.00 H new ATOM 0 HD3 LYS A 22 60.982 0.099 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 22 62.816 1.787 2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.970 0.675 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.552 0.141 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.012 -1.125 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 61.893 -0.048 0.759 1.00 0.00 H new ATOM 360 N LEU A 23 61.761 0.674 8.414 1.00 0.00 N ATOM 361 CA LEU A 23 60.835 -0.061 9.266 1.00 0.00 C ATOM 362 C LEU A 23 59.802 0.882 9.872 1.00 0.00 C ATOM 363 O LEU A 23 58.606 0.590 9.873 1.00 0.00 O ATOM 364 CB LEU A 23 61.602 -0.768 10.386 1.00 0.00 C ATOM 365 CG LEU A 23 61.588 -2.278 10.141 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.502 -2.969 11.154 1.00 0.00 C ATOM 367 CD2 LEU A 23 60.160 -2.806 10.301 1.00 0.00 C ATOM 0 H LEU A 23 62.745 0.455 8.568 1.00 0.00 H new ATOM 0 HA LEU A 23 60.320 -0.803 8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.629 -0.405 10.423 1.00 0.00 H new ATOM 0 HB3 LEU A 23 61.148 -0.541 11.351 1.00 0.00 H new ATOM 0 HG LEU A 23 61.943 -2.485 9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.492 -4.045 10.979 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.519 -2.593 11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.148 -2.762 12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.148 -3.882 10.127 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.806 -2.598 11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.507 -2.314 9.580 1.00 0.00 H new ATOM 379 N PHE A 24 60.270 2.014 10.386 1.00 0.00 N ATOM 380 CA PHE A 24 59.376 2.994 10.992 1.00 0.00 C ATOM 381 C PHE A 24 58.293 3.413 10.002 1.00 0.00 C ATOM 382 O PHE A 24 57.142 3.627 10.382 1.00 0.00 O ATOM 383 CB PHE A 24 60.171 4.224 11.433 1.00 0.00 C ATOM 384 CG PHE A 24 60.654 4.031 12.850 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.652 3.089 13.128 1.00 0.00 C ATOM 386 CD2 PHE A 24 60.103 4.794 13.888 1.00 0.00 C ATOM 387 CE1 PHE A 24 62.099 2.910 14.443 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.550 4.615 15.201 1.00 0.00 C ATOM 389 CZ PHE A 24 61.548 3.672 15.479 1.00 0.00 C ATOM 0 H PHE A 24 61.256 2.275 10.396 1.00 0.00 H new ATOM 0 HA PHE A 24 58.902 2.538 11.861 1.00 0.00 H new ATOM 0 HB2 PHE A 24 61.019 4.380 10.767 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.547 5.115 11.369 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.077 2.501 12.328 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.333 5.520 13.674 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.869 2.184 14.657 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.126 5.204 16.001 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.892 3.533 16.493 1.00 0.00 H new ATOM 399 N GLU A 25 58.671 3.526 8.734 1.00 0.00 N ATOM 400 CA GLU A 25 57.722 3.919 7.698 1.00 0.00 C ATOM 401 C GLU A 25 56.796 2.758 7.352 1.00 0.00 C ATOM 402 O GLU A 25 55.615 2.957 7.066 1.00 0.00 O ATOM 403 CB GLU A 25 58.474 4.365 6.443 1.00 0.00 C ATOM 404 CG GLU A 25 59.155 5.710 6.706 1.00 0.00 C ATOM 405 CD GLU A 25 60.031 6.092 5.517 1.00 0.00 C ATOM 406 OE1 GLU A 25 60.281 5.232 4.690 1.00 0.00 O ATOM 407 OE2 GLU A 25 60.438 7.240 5.453 1.00 0.00 O ATOM 0 H GLU A 25 59.619 3.353 8.400 1.00 0.00 H new ATOM 0 HA GLU A 25 57.123 4.747 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.217 3.617 6.167 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.783 4.453 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.403 6.480 6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.761 5.650 7.610 1.00 0.00 H new ATOM 414 N LEU A 26 57.338 1.545 7.384 1.00 0.00 N ATOM 415 CA LEU A 26 56.549 0.359 7.073 1.00 0.00 C ATOM 416 C LEU A 26 55.417 0.191 8.081 1.00 0.00 C ATOM 417 O LEU A 26 54.280 -0.103 7.709 1.00 0.00 O ATOM 418 CB LEU A 26 57.443 -0.883 7.096 1.00 0.00 C ATOM 419 CG LEU A 26 58.513 -0.762 6.011 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.423 -1.991 6.050 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.840 -0.671 4.639 1.00 0.00 C ATOM 0 H LEU A 26 58.313 1.358 7.620 1.00 0.00 H new ATOM 0 HA LEU A 26 56.121 0.480 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 26 57.912 -0.988 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.844 -1.779 6.932 1.00 0.00 H new ATOM 0 HG LEU A 26 59.107 0.135 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 26 60.186 -1.904 5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.903 -2.058 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.830 -2.889 5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.602 -0.585 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 26 57.246 -1.568 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.192 0.205 4.609 1.00 0.00 H new ATOM 433 N MET A 27 55.735 0.380 9.357 1.00 0.00 N ATOM 434 CA MET A 27 54.735 0.246 10.411 1.00 0.00 C ATOM 435 C MET A 27 53.568 1.197 10.164 1.00 0.00 C ATOM 436 O MET A 27 52.420 0.880 10.478 1.00 0.00 O ATOM 437 CB MET A 27 55.366 0.553 11.771 1.00 0.00 C ATOM 438 CG MET A 27 56.421 -0.507 12.095 1.00 0.00 C ATOM 439 SD MET A 27 57.533 0.121 13.377 1.00 0.00 S ATOM 440 CE MET A 27 56.332 0.139 14.730 1.00 0.00 C ATOM 0 H MET A 27 56.669 0.624 9.685 1.00 0.00 H new ATOM 0 HA MET A 27 54.363 -0.778 10.406 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.822 1.543 11.757 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.599 0.566 12.545 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.939 -1.424 12.434 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.987 -0.758 11.198 1.00 0.00 H new ATOM 0 HE1 MET A 27 56.856 0.239 15.680 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.651 0.980 14.601 1.00 0.00 H new ATOM 0 HE3 MET A 27 55.764 -0.792 14.725 1.00 0.00 H new ATOM 450 N GLN A 28 53.868 2.362 9.600 1.00 0.00 N ATOM 451 CA GLN A 28 52.835 3.351 9.315 1.00 0.00 C ATOM 452 C GLN A 28 52.045 2.957 8.072 1.00 0.00 C ATOM 453 O GLN A 28 50.817 3.047 8.050 1.00 0.00 O ATOM 454 CB GLN A 28 53.472 4.725 9.103 1.00 0.00 C ATOM 455 CG GLN A 28 54.125 5.193 10.406 1.00 0.00 C ATOM 456 CD GLN A 28 54.928 6.466 10.160 1.00 0.00 C ATOM 457 OE1 GLN A 28 55.454 6.666 9.066 1.00 0.00 O ATOM 458 NE2 GLN A 28 55.054 7.342 11.118 1.00 0.00 N ATOM 0 H GLN A 28 54.811 2.643 9.333 1.00 0.00 H new ATOM 0 HA GLN A 28 52.155 3.394 10.166 1.00 0.00 H new ATOM 0 HB2 GLN A 28 54.217 4.673 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 28 52.716 5.443 8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 28 53.360 5.376 11.160 1.00 0.00 H new ATOM 0 HG3 GLN A 28 54.777 4.412 10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 28 54.617 7.173 12.024 1.00 0.00 H new ATOM 0 HE22 GLN A 28 55.590 8.196 10.961 1.00 0.00 H new ATOM 467 N GLY A 29 52.757 2.521 7.038 1.00 0.00 N ATOM 468 CA GLY A 29 52.111 2.115 5.795 1.00 0.00 C ATOM 469 C GLY A 29 51.318 0.827 5.988 1.00 0.00 C ATOM 470 O GLY A 29 50.213 0.682 5.464 1.00 0.00 O ATOM 0 H GLY A 29 53.774 2.440 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.447 2.907 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.864 1.970 5.020 1.00 0.00 H new ATOM 474 N PHE A 30 51.889 -0.105 6.743 1.00 0.00 N ATOM 475 CA PHE A 30 51.227 -1.379 6.998 1.00 0.00 C ATOM 476 C PHE A 30 50.488 -1.341 8.333 1.00 0.00 C ATOM 477 O PHE A 30 50.739 -0.471 9.167 1.00 0.00 O ATOM 478 CB PHE A 30 52.257 -2.511 7.015 1.00 0.00 C ATOM 479 CG PHE A 30 53.147 -2.399 5.800 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.388 -3.044 5.780 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.729 -1.649 4.693 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.213 -2.941 4.654 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.555 -1.545 3.567 1.00 0.00 C ATOM 484 CZ PHE A 30 54.797 -2.191 3.547 1.00 0.00 C ATOM 0 H PHE A 30 52.802 -0.004 7.186 1.00 0.00 H new ATOM 0 HA PHE A 30 50.506 -1.557 6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 30 52.856 -2.459 7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 30 51.752 -3.477 7.021 1.00 0.00 H new ATOM 0 HD1 PHE A 30 54.710 -3.622 6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.771 -1.151 4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 30 56.171 -3.440 4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.234 -0.966 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.434 -2.111 2.678 1.00 0.00 H new ATOM 494 N ASP A 31 49.579 -2.291 8.528 1.00 0.00 N ATOM 495 CA ASP A 31 48.810 -2.356 9.765 1.00 0.00 C ATOM 496 C ASP A 31 49.318 -3.488 10.652 1.00 0.00 C ATOM 497 O ASP A 31 48.877 -4.631 10.531 1.00 0.00 O ATOM 498 CB ASP A 31 47.330 -2.578 9.449 1.00 0.00 C ATOM 499 CG ASP A 31 46.700 -1.277 8.963 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.376 -0.261 9.009 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.552 -1.314 8.552 1.00 0.00 O ATOM 0 H ASP A 31 49.358 -3.021 7.851 1.00 0.00 H new ATOM 0 HA ASP A 31 48.930 -1.411 10.296 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.224 -3.350 8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.809 -2.934 10.338 1.00 0.00 H new ATOM 506 N ALA A 32 50.248 -3.163 11.543 1.00 0.00 N ATOM 507 CA ALA A 32 50.809 -4.161 12.447 1.00 0.00 C ATOM 508 C ALA A 32 51.982 -3.578 13.229 1.00 0.00 C ATOM 509 O ALA A 32 52.623 -2.625 12.786 1.00 0.00 O ATOM 510 CB ALA A 32 51.281 -5.379 11.650 1.00 0.00 C ATOM 0 H ALA A 32 50.627 -2.223 11.659 1.00 0.00 H new ATOM 0 HA ALA A 32 50.033 -4.464 13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.699 -6.120 12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.436 -5.813 11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.045 -5.072 10.935 1.00 0.00 H new ATOM 516 N GLU A 33 52.255 -4.155 14.394 1.00 0.00 N ATOM 517 CA GLU A 33 53.352 -3.682 15.231 1.00 0.00 C ATOM 518 C GLU A 33 54.575 -4.579 15.068 1.00 0.00 C ATOM 519 O GLU A 33 54.468 -5.805 15.102 1.00 0.00 O ATOM 520 CB GLU A 33 52.921 -3.667 16.698 1.00 0.00 C ATOM 521 CG GLU A 33 53.987 -2.962 17.538 1.00 0.00 C ATOM 522 CD GLU A 33 53.519 -2.842 18.984 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.409 -3.266 19.263 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.275 -2.329 19.791 1.00 0.00 O ATOM 0 H GLU A 33 51.737 -4.945 14.778 1.00 0.00 H new ATOM 0 HA GLU A 33 53.612 -2.671 14.919 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.964 -3.155 16.801 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.777 -4.686 17.056 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.922 -3.520 17.495 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.187 -1.972 17.129 1.00 0.00 H new ATOM 531 N VAL A 34 55.737 -3.960 14.889 1.00 0.00 N ATOM 532 CA VAL A 34 56.975 -4.711 14.721 1.00 0.00 C ATOM 533 C VAL A 34 57.868 -4.551 15.948 1.00 0.00 C ATOM 534 O VAL A 34 57.991 -3.458 16.499 1.00 0.00 O ATOM 535 CB VAL A 34 57.720 -4.220 13.478 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.056 -4.956 13.359 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.873 -4.499 12.235 1.00 0.00 C ATOM 0 H VAL A 34 55.847 -2.946 14.857 1.00 0.00 H new ATOM 0 HA VAL A 34 56.725 -5.765 14.601 1.00 0.00 H new ATOM 0 HB VAL A 34 57.902 -3.149 13.563 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.587 -4.606 12.473 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.660 -4.760 14.245 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.875 -6.027 13.274 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.402 -4.150 11.348 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.692 -5.571 12.151 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.921 -3.976 12.319 1.00 0.00 H new ATOM 547 N LEU A 35 58.488 -5.649 16.370 1.00 0.00 N ATOM 548 CA LEU A 35 59.367 -5.618 17.533 1.00 0.00 C ATOM 549 C LEU A 35 60.638 -6.417 17.268 1.00 0.00 C ATOM 550 O LEU A 35 60.585 -7.532 16.748 1.00 0.00 O ATOM 551 CB LEU A 35 58.643 -6.198 18.750 1.00 0.00 C ATOM 552 CG LEU A 35 59.652 -6.466 19.866 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.052 -6.050 21.209 1.00 0.00 C ATOM 554 CD2 LEU A 35 59.989 -7.958 19.899 1.00 0.00 C ATOM 0 H LEU A 35 58.399 -6.564 15.928 1.00 0.00 H new ATOM 0 HA LEU A 35 59.639 -4.581 17.731 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.878 -5.503 19.096 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.134 -7.122 18.477 1.00 0.00 H new ATOM 0 HG LEU A 35 60.559 -5.891 19.681 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.772 -6.242 22.004 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.811 -4.987 21.186 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.144 -6.624 21.396 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.709 -8.151 20.695 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.081 -8.532 20.084 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.418 -8.255 18.942 1.00 0.00 H new ATOM 566 N LEU A 36 61.780 -5.839 17.626 1.00 0.00 N ATOM 567 CA LEU A 36 63.060 -6.507 17.422 1.00 0.00 C ATOM 568 C LEU A 36 63.653 -6.948 18.755 1.00 0.00 C ATOM 569 O LEU A 36 63.417 -6.322 19.789 1.00 0.00 O ATOM 570 CB LEU A 36 64.035 -5.563 16.715 1.00 0.00 C ATOM 571 CG LEU A 36 63.349 -4.934 15.502 1.00 0.00 C ATOM 572 CD1 LEU A 36 64.328 -3.998 14.789 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.907 -6.038 14.538 1.00 0.00 C ATOM 0 H LEU A 36 61.846 -4.916 18.056 1.00 0.00 H new ATOM 0 HA LEU A 36 62.894 -7.388 16.802 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.367 -4.785 17.402 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.924 -6.110 16.400 1.00 0.00 H new ATOM 0 HG LEU A 36 62.478 -4.367 15.831 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.839 -3.550 13.924 1.00 0.00 H new ATOM 0 HD12 LEU A 36 64.645 -3.212 15.475 1.00 0.00 H new ATOM 0 HD13 LEU A 36 65.199 -4.565 14.460 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.418 -5.591 13.673 1.00 0.00 H new ATOM 0 HD22 LEU A 36 63.778 -6.605 14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 36 62.210 -6.706 15.044 1.00 0.00 H new ATOM 585 N ARG A 37 64.424 -8.030 18.726 1.00 0.00 N ATOM 586 CA ARG A 37 65.046 -8.546 19.940 1.00 0.00 C ATOM 587 C ARG A 37 66.346 -9.272 19.611 1.00 0.00 C ATOM 588 O ARG A 37 66.417 -10.029 18.642 1.00 0.00 O ATOM 589 CB ARG A 37 64.089 -9.507 20.650 1.00 0.00 C ATOM 590 CG ARG A 37 64.894 -10.536 21.446 1.00 0.00 C ATOM 591 CD ARG A 37 63.997 -11.176 22.505 1.00 0.00 C ATOM 592 NE ARG A 37 64.734 -12.197 23.242 1.00 0.00 N ATOM 593 CZ ARG A 37 64.200 -12.806 24.295 1.00 0.00 C ATOM 594 NH1 ARG A 37 64.880 -13.715 24.938 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.995 -12.493 24.688 1.00 0.00 N ATOM 0 H ARG A 37 64.632 -8.563 17.882 1.00 0.00 H new ATOM 0 HA ARG A 37 65.269 -7.704 20.596 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.428 -8.952 21.316 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.456 -10.011 19.920 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.288 -11.301 20.777 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.750 -10.056 21.921 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.633 -10.413 23.193 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.122 -11.621 22.030 1.00 0.00 H new ATOM 0 HE ARG A 37 65.676 -12.448 22.943 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.822 -13.958 24.632 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.469 -14.182 25.746 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.464 -11.781 24.187 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.585 -12.960 25.496 1.00 0.00 H new ATOM 609 N ASN A 38 67.372 -9.035 20.422 1.00 0.00 N ATOM 610 CA ASN A 38 68.666 -9.672 20.206 1.00 0.00 C ATOM 611 C ASN A 38 68.752 -10.984 20.978 1.00 0.00 C ATOM 612 O ASN A 38 68.070 -11.169 21.986 1.00 0.00 O ATOM 613 CB ASN A 38 69.790 -8.738 20.658 1.00 0.00 C ATOM 614 CG ASN A 38 69.890 -7.546 19.711 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.189 -7.496 18.699 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.723 -6.578 19.979 1.00 0.00 N ATOM 0 H ASN A 38 67.334 -8.412 21.228 1.00 0.00 H new ATOM 0 HA ASN A 38 68.774 -9.881 19.142 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.600 -8.391 21.674 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.737 -9.278 20.678 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.795 -5.778 19.350 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.302 -6.621 20.817 1.00 0.00 H new ATOM 623 N ASP A 39 69.596 -11.893 20.498 1.00 0.00 N ATOM 624 CA ASP A 39 69.764 -13.185 21.152 1.00 0.00 C ATOM 625 C ASP A 39 70.143 -13.000 22.618 1.00 0.00 C ATOM 626 O ASP A 39 69.867 -13.860 23.455 1.00 0.00 O ATOM 627 CB ASP A 39 70.850 -13.994 20.441 1.00 0.00 C ATOM 628 CG ASP A 39 70.853 -15.429 20.955 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.210 -15.679 21.961 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.499 -16.259 20.335 1.00 0.00 O ATOM 0 H ASP A 39 70.170 -11.760 19.665 1.00 0.00 H new ATOM 0 HA ASP A 39 68.817 -13.722 21.099 1.00 0.00 H new ATOM 0 HB2 ASP A 39 70.676 -13.985 19.365 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.825 -13.537 20.610 1.00 0.00 H new ATOM 635 N GLU A 40 70.777 -11.872 22.922 1.00 0.00 N ATOM 636 CA GLU A 40 71.190 -11.584 24.291 1.00 0.00 C ATOM 637 C GLU A 40 69.972 -11.390 25.188 1.00 0.00 C ATOM 638 O GLU A 40 70.071 -11.477 26.412 1.00 0.00 O ATOM 639 CB GLU A 40 72.055 -10.322 24.321 1.00 0.00 C ATOM 640 CG GLU A 40 73.374 -10.591 23.595 1.00 0.00 C ATOM 641 CD GLU A 40 74.137 -9.285 23.401 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.517 -8.239 23.500 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.330 -9.350 23.156 1.00 0.00 O ATOM 0 H GLU A 40 71.015 -11.147 22.245 1.00 0.00 H new ATOM 0 HA GLU A 40 71.769 -12.430 24.662 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.528 -9.495 23.845 1.00 0.00 H new ATOM 0 HB3 GLU A 40 72.249 -10.025 25.352 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.978 -11.293 24.169 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.179 -11.055 22.628 1.00 0.00 H new ATOM 650 N GLY A 41 68.824 -11.129 24.572 1.00 0.00 N ATOM 651 CA GLY A 41 67.592 -10.925 25.325 1.00 0.00 C ATOM 652 C GLY A 41 67.224 -9.446 25.379 1.00 0.00 C ATOM 653 O GLY A 41 66.305 -9.050 26.096 1.00 0.00 O ATOM 0 H GLY A 41 68.721 -11.054 23.560 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.781 -11.489 24.863 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.712 -11.311 26.337 1.00 0.00 H new ATOM 657 N THR A 42 67.947 -8.634 24.615 1.00 0.00 N ATOM 658 CA THR A 42 67.687 -7.198 24.584 1.00 0.00 C ATOM 659 C THR A 42 66.558 -6.880 23.608 1.00 0.00 C ATOM 660 O THR A 42 66.698 -7.068 22.400 1.00 0.00 O ATOM 661 CB THR A 42 68.953 -6.447 24.166 1.00 0.00 C ATOM 662 OG1 THR A 42 69.970 -6.662 25.135 1.00 0.00 O ATOM 663 CG2 THR A 42 68.651 -4.951 24.064 1.00 0.00 C ATOM 0 H THR A 42 68.711 -8.941 24.014 1.00 0.00 H new ATOM 0 HA THR A 42 67.389 -6.879 25.583 1.00 0.00 H new ATOM 0 HB THR A 42 69.290 -6.814 23.197 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.782 -6.183 24.868 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.553 -4.417 23.766 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.871 -4.787 23.321 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.313 -4.581 25.032 1.00 0.00 H new ATOM 671 N GLU A 43 65.441 -6.398 24.140 1.00 0.00 N ATOM 672 CA GLU A 43 64.294 -6.056 23.307 1.00 0.00 C ATOM 673 C GLU A 43 64.461 -4.662 22.710 1.00 0.00 C ATOM 674 O GLU A 43 64.308 -3.658 23.404 1.00 0.00 O ATOM 675 CB GLU A 43 63.011 -6.108 24.137 1.00 0.00 C ATOM 676 CG GLU A 43 62.728 -7.552 24.554 1.00 0.00 C ATOM 677 CD GLU A 43 61.470 -7.611 25.412 1.00 0.00 C ATOM 678 OE1 GLU A 43 60.972 -6.557 25.773 1.00 0.00 O ATOM 679 OE2 GLU A 43 61.021 -8.709 25.695 1.00 0.00 O ATOM 0 H GLU A 43 65.305 -6.236 25.138 1.00 0.00 H new ATOM 0 HA GLU A 43 64.230 -6.781 22.495 1.00 0.00 H new ATOM 0 HB2 GLU A 43 63.111 -5.477 25.020 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.175 -5.716 23.558 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.604 -8.177 23.669 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.576 -7.951 25.110 1.00 0.00 H new ATOM 686 N ALA A 44 64.775 -4.610 21.419 1.00 0.00 N ATOM 687 CA ALA A 44 64.960 -3.333 20.739 1.00 0.00 C ATOM 688 C ALA A 44 63.674 -2.910 20.038 1.00 0.00 C ATOM 689 O ALA A 44 63.593 -2.924 18.809 1.00 0.00 O ATOM 690 CB ALA A 44 66.089 -3.447 19.715 1.00 0.00 C ATOM 0 H ALA A 44 64.906 -5.430 20.827 1.00 0.00 H new ATOM 0 HA ALA A 44 65.220 -2.579 21.482 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.221 -2.490 19.211 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.014 -3.721 20.222 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.838 -4.212 18.980 1.00 0.00 H new ATOM 696 N GLU A 45 62.672 -2.535 20.825 1.00 0.00 N ATOM 697 CA GLU A 45 61.393 -2.109 20.267 1.00 0.00 C ATOM 698 C GLU A 45 61.609 -1.290 18.999 1.00 0.00 C ATOM 699 O GLU A 45 62.272 -0.253 19.024 1.00 0.00 O ATOM 700 CB GLU A 45 60.623 -1.304 21.301 1.00 0.00 C ATOM 701 CG GLU A 45 60.436 -2.157 22.550 1.00 0.00 C ATOM 702 CD GLU A 45 59.642 -1.385 23.599 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.335 -1.966 24.627 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.353 -0.224 23.359 1.00 0.00 O ATOM 0 H GLU A 45 62.719 -2.517 21.844 1.00 0.00 H new ATOM 0 HA GLU A 45 60.810 -2.992 20.004 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.164 -0.390 21.546 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.655 -1.004 20.901 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.915 -3.080 22.295 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.408 -2.441 22.954 1.00 0.00 H new ATOM 711 N ALA A 46 61.044 -1.763 17.892 1.00 0.00 N ATOM 712 CA ALA A 46 61.182 -1.065 16.619 1.00 0.00 C ATOM 713 C ALA A 46 60.551 0.322 16.697 1.00 0.00 C ATOM 714 O ALA A 46 60.560 1.074 15.723 1.00 0.00 O ATOM 715 CB ALA A 46 60.509 -1.871 15.507 1.00 0.00 C ATOM 0 H ALA A 46 60.491 -2.619 17.851 1.00 0.00 H new ATOM 0 HA ALA A 46 62.244 -0.957 16.398 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.616 -1.343 14.559 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.980 -2.851 15.432 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.450 -1.994 15.736 1.00 0.00 H new ATOM 721 N ASN A 47 60.005 0.653 17.863 1.00 0.00 N ATOM 722 CA ASN A 47 59.372 1.952 18.057 1.00 0.00 C ATOM 723 C ASN A 47 60.204 2.819 18.999 1.00 0.00 C ATOM 724 O ASN A 47 59.680 3.715 19.659 1.00 0.00 O ATOM 725 CB ASN A 47 57.968 1.769 18.636 1.00 0.00 C ATOM 726 CG ASN A 47 58.007 1.917 20.153 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.740 1.102 20.861 1.00 0.00 O flip ATOM 728 ND2 ASN A 47 57.352 2.799 20.709 1.00 0.00 N flip ATOM 0 H ASN A 47 59.988 0.045 18.682 1.00 0.00 H new ATOM 0 HA ASN A 47 59.303 2.449 17.089 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.290 2.507 18.208 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.580 0.786 18.368 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.779 3.435 20.154 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.382 2.893 21.724 1.00 0.00 H new ATOM 735 N SER A 48 61.503 2.543 19.054 1.00 0.00 N ATOM 736 CA SER A 48 62.398 3.303 19.920 1.00 0.00 C ATOM 737 C SER A 48 63.746 3.517 19.238 1.00 0.00 C ATOM 738 O SER A 48 64.409 2.560 18.839 1.00 0.00 O ATOM 739 CB SER A 48 62.603 2.560 21.240 1.00 0.00 C ATOM 740 OG SER A 48 61.742 3.114 22.227 1.00 0.00 O ATOM 0 H SER A 48 61.957 1.806 18.515 1.00 0.00 H new ATOM 0 HA SER A 48 61.945 4.274 20.118 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.392 1.499 21.110 1.00 0.00 H new ATOM 0 HB3 SER A 48 63.642 2.641 21.559 1.00 0.00 H new ATOM 0 HG SER A 48 61.869 2.640 23.075 1.00 0.00 H new ATOM 746 N VAL A 49 64.146 4.777 19.112 1.00 0.00 N ATOM 747 CA VAL A 49 65.418 5.105 18.478 1.00 0.00 C ATOM 748 C VAL A 49 66.582 4.562 19.299 1.00 0.00 C ATOM 749 O VAL A 49 67.588 4.115 18.749 1.00 0.00 O ATOM 750 CB VAL A 49 65.555 6.621 18.335 1.00 0.00 C ATOM 751 CG1 VAL A 49 64.779 7.092 17.103 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.990 7.303 19.583 1.00 0.00 C ATOM 0 H VAL A 49 63.613 5.583 19.438 1.00 0.00 H new ATOM 0 HA VAL A 49 65.439 4.644 17.490 1.00 0.00 H new ATOM 0 HB VAL A 49 66.608 6.881 18.222 1.00 0.00 H new ATOM 0 HG11 VAL A 49 64.877 8.173 17.002 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.180 6.607 16.213 1.00 0.00 H new ATOM 0 HG13 VAL A 49 63.726 6.832 17.215 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.087 8.384 19.482 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.938 7.042 19.695 1.00 0.00 H new ATOM 0 HG23 VAL A 49 65.542 6.969 20.462 1.00 0.00 H new ATOM 762 N ILE A 50 66.439 4.605 20.620 1.00 0.00 N ATOM 763 CA ILE A 50 67.486 4.115 21.509 1.00 0.00 C ATOM 764 C ILE A 50 67.716 2.623 21.293 1.00 0.00 C ATOM 765 O ILE A 50 68.846 2.141 21.374 1.00 0.00 O ATOM 766 CB ILE A 50 67.095 4.367 22.966 1.00 0.00 C ATOM 767 CG1 ILE A 50 67.094 5.873 23.239 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.103 3.683 23.891 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.338 6.156 24.538 1.00 0.00 C ATOM 0 H ILE A 50 65.614 4.971 21.096 1.00 0.00 H new ATOM 0 HA ILE A 50 68.408 4.650 21.283 1.00 0.00 H new ATOM 0 HB ILE A 50 66.100 3.962 23.151 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.117 6.240 23.314 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.625 6.403 22.410 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.824 3.863 24.929 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.106 2.611 23.696 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.098 4.088 23.707 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.337 7.229 24.732 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.311 5.803 24.445 1.00 0.00 H new ATOM 0 HD13 ILE A 50 66.826 5.638 25.363 1.00 0.00 H new ATOM 781 N ALA A 51 66.639 1.896 21.017 1.00 0.00 N ATOM 782 CA ALA A 51 66.736 0.458 20.792 1.00 0.00 C ATOM 783 C ALA A 51 67.542 0.166 19.531 1.00 0.00 C ATOM 784 O ALA A 51 68.382 -0.733 19.514 1.00 0.00 O ATOM 785 CB ALA A 51 65.336 -0.144 20.656 1.00 0.00 C ATOM 0 H ALA A 51 65.695 2.275 20.944 1.00 0.00 H new ATOM 0 HA ALA A 51 67.244 0.009 21.646 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.416 -1.218 20.488 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.771 0.039 21.570 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.822 0.317 19.813 1.00 0.00 H new ATOM 791 N LEU A 52 67.281 0.933 18.476 1.00 0.00 N ATOM 792 CA LEU A 52 67.989 0.746 17.216 1.00 0.00 C ATOM 793 C LEU A 52 69.488 0.955 17.407 1.00 0.00 C ATOM 794 O LEU A 52 70.303 0.225 16.841 1.00 0.00 O ATOM 795 CB LEU A 52 67.464 1.732 16.171 1.00 0.00 C ATOM 796 CG LEU A 52 68.206 1.521 14.851 1.00 0.00 C ATOM 797 CD1 LEU A 52 68.041 0.069 14.398 1.00 0.00 C ATOM 798 CD2 LEU A 52 67.625 2.454 13.786 1.00 0.00 C ATOM 0 H LEU A 52 66.590 1.683 18.469 1.00 0.00 H new ATOM 0 HA LEU A 52 67.817 -0.274 16.872 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.393 1.588 16.025 1.00 0.00 H new ATOM 0 HB3 LEU A 52 67.604 2.755 16.519 1.00 0.00 H new ATOM 0 HG LEU A 52 69.265 1.740 14.991 1.00 0.00 H new ATOM 0 HD11 LEU A 52 68.570 -0.081 13.457 1.00 0.00 H new ATOM 0 HD12 LEU A 52 68.453 -0.598 15.156 1.00 0.00 H new ATOM 0 HD13 LEU A 52 66.983 -0.150 14.258 1.00 0.00 H new ATOM 0 HD21 LEU A 52 68.153 2.305 12.844 1.00 0.00 H new ATOM 0 HD22 LEU A 52 66.567 2.234 13.647 1.00 0.00 H new ATOM 0 HD23 LEU A 52 67.741 3.489 14.107 1.00 0.00 H new ATOM 810 N LEU A 53 69.844 1.955 18.206 1.00 0.00 N ATOM 811 CA LEU A 53 71.249 2.250 18.464 1.00 0.00 C ATOM 812 C LEU A 53 71.918 1.084 19.184 1.00 0.00 C ATOM 813 O LEU A 53 73.115 0.843 19.018 1.00 0.00 O ATOM 814 CB LEU A 53 71.369 3.516 19.316 1.00 0.00 C ATOM 815 CG LEU A 53 72.131 4.587 18.535 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.179 5.879 19.352 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.557 4.102 18.266 1.00 0.00 C ATOM 0 H LEU A 53 69.185 2.571 18.683 1.00 0.00 H new ATOM 0 HA LEU A 53 71.749 2.407 17.508 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.378 3.882 19.583 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.888 3.292 20.248 1.00 0.00 H new ATOM 0 HG LEU A 53 71.625 4.775 17.588 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.722 6.642 18.795 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.164 6.225 19.546 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.685 5.692 20.299 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.102 4.864 17.709 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.062 3.914 19.213 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.524 3.181 17.683 1.00 0.00 H new ATOM 829 N MET A 54 71.140 0.364 19.985 1.00 0.00 N ATOM 830 CA MET A 54 71.669 -0.775 20.726 1.00 0.00 C ATOM 831 C MET A 54 71.933 -1.949 19.787 1.00 0.00 C ATOM 832 O MET A 54 72.897 -2.693 19.966 1.00 0.00 O ATOM 833 CB MET A 54 70.675 -1.200 21.810 1.00 0.00 C ATOM 834 CG MET A 54 71.319 -2.260 22.704 1.00 0.00 C ATOM 835 SD MET A 54 72.479 -1.466 23.843 1.00 0.00 S ATOM 836 CE MET A 54 71.259 -0.896 25.051 1.00 0.00 C ATOM 0 H MET A 54 70.148 0.547 20.137 1.00 0.00 H new ATOM 0 HA MET A 54 72.609 -0.477 21.191 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.379 -0.337 22.406 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.769 -1.597 21.352 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.551 -2.794 23.264 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.840 -2.998 22.094 1.00 0.00 H new ATOM 0 HE1 MET A 54 71.444 0.152 25.288 1.00 0.00 H new ATOM 0 HE2 MET A 54 70.257 -1.002 24.634 1.00 0.00 H new ATOM 0 HE3 MET A 54 71.339 -1.494 25.959 1.00 0.00 H new ATOM 846 N LEU A 55 71.071 -2.106 18.789 1.00 0.00 N ATOM 847 CA LEU A 55 71.221 -3.193 17.828 1.00 0.00 C ATOM 848 C LEU A 55 72.501 -3.019 17.017 1.00 0.00 C ATOM 849 O LEU A 55 72.992 -3.966 16.403 1.00 0.00 O ATOM 850 CB LEU A 55 70.017 -3.226 16.884 1.00 0.00 C ATOM 851 CG LEU A 55 68.754 -3.557 17.681 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.533 -3.464 16.764 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.862 -4.977 18.242 1.00 0.00 C ATOM 0 H LEU A 55 70.267 -1.500 18.624 1.00 0.00 H new ATOM 0 HA LEU A 55 71.278 -4.133 18.377 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.904 -2.262 16.387 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.173 -3.971 16.104 1.00 0.00 H new ATOM 0 HG LEU A 55 68.647 -2.848 18.502 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.633 -3.700 17.332 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.455 -2.453 16.363 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.640 -4.173 15.943 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.962 -5.213 18.810 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.969 -5.686 17.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.732 -5.045 18.895 1.00 0.00 H new ATOM 865 N ASP A 56 73.036 -1.802 17.018 1.00 0.00 N ATOM 866 CA ASP A 56 74.260 -1.516 16.279 1.00 0.00 C ATOM 867 C ASP A 56 75.373 -2.475 16.691 1.00 0.00 C ATOM 868 O ASP A 56 76.171 -2.910 15.862 1.00 0.00 O ATOM 869 CB ASP A 56 74.703 -0.075 16.538 1.00 0.00 C ATOM 870 CG ASP A 56 73.775 0.893 15.814 1.00 0.00 C ATOM 871 OD1 ASP A 56 72.998 0.436 14.992 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.855 2.079 16.091 1.00 0.00 O ATOM 0 H ASP A 56 72.645 -1.004 17.518 1.00 0.00 H new ATOM 0 HA ASP A 56 74.058 -1.648 15.216 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.693 0.131 17.608 1.00 0.00 H new ATOM 0 HB3 ASP A 56 75.728 0.066 16.196 1.00 0.00 H new ATOM 877 N SER A 57 75.420 -2.799 17.980 1.00 0.00 N ATOM 878 CA SER A 57 76.439 -3.707 18.492 1.00 0.00 C ATOM 879 C SER A 57 76.070 -5.155 18.186 1.00 0.00 C ATOM 880 O SER A 57 76.800 -6.080 18.542 1.00 0.00 O ATOM 881 CB SER A 57 76.589 -3.525 20.002 1.00 0.00 C ATOM 882 OG SER A 57 77.069 -2.215 20.272 1.00 0.00 O ATOM 0 H SER A 57 74.770 -2.449 18.683 1.00 0.00 H new ATOM 0 HA SER A 57 77.385 -3.474 18.003 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.630 -3.682 20.496 1.00 0.00 H new ATOM 0 HB3 SER A 57 77.279 -4.267 20.403 1.00 0.00 H new ATOM 0 HG SER A 57 77.165 -2.095 21.240 1.00 0.00 H new ATOM 888 N ALA A 58 74.933 -5.343 17.524 1.00 0.00 N ATOM 889 CA ALA A 58 74.477 -6.683 17.175 1.00 0.00 C ATOM 890 C ALA A 58 75.114 -7.144 15.868 1.00 0.00 C ATOM 891 O ALA A 58 74.524 -7.921 15.118 1.00 0.00 O ATOM 892 CB ALA A 58 72.954 -6.697 17.034 1.00 0.00 C ATOM 0 H ALA A 58 74.315 -4.591 17.221 1.00 0.00 H new ATOM 0 HA ALA A 58 74.775 -7.365 17.971 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.622 -7.702 16.773 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.498 -6.398 17.978 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.655 -6.001 16.250 1.00 0.00 H new ATOM 898 N LYS A 59 76.323 -6.659 15.602 1.00 0.00 N ATOM 899 CA LYS A 59 77.032 -7.026 14.382 1.00 0.00 C ATOM 900 C LYS A 59 77.589 -8.442 14.492 1.00 0.00 C ATOM 901 O LYS A 59 78.662 -8.655 15.059 1.00 0.00 O ATOM 902 CB LYS A 59 78.176 -6.045 14.125 1.00 0.00 C ATOM 903 CG LYS A 59 78.831 -5.665 15.456 1.00 0.00 C ATOM 904 CD LYS A 59 80.176 -4.986 15.187 1.00 0.00 C ATOM 905 CE LYS A 59 80.729 -4.417 16.495 1.00 0.00 C ATOM 906 NZ LYS A 59 80.959 -5.527 17.461 1.00 0.00 N ATOM 0 H LYS A 59 76.829 -6.015 16.210 1.00 0.00 H new ATOM 0 HA LYS A 59 76.328 -6.987 13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 59 78.913 -6.495 13.460 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.799 -5.153 13.625 1.00 0.00 H new ATOM 0 HG2 LYS A 59 78.179 -4.995 16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.977 -6.554 16.069 1.00 0.00 H new ATOM 0 HD2 LYS A 59 80.879 -5.703 14.763 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.053 -4.189 14.454 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.662 -3.885 16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.029 -3.695 16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.532 -5.181 18.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.045 -5.872 17.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 81.461 -6.303 16.985 1.00 0.00 H new ATOM 920 N GLY A 60 76.854 -9.406 13.948 1.00 0.00 N ATOM 921 CA GLY A 60 77.286 -10.799 13.992 1.00 0.00 C ATOM 922 C GLY A 60 76.459 -11.594 14.998 1.00 0.00 C ATOM 923 O GLY A 60 76.755 -12.754 15.280 1.00 0.00 O ATOM 0 H GLY A 60 75.964 -9.251 13.475 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.189 -11.245 13.002 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.341 -10.848 14.262 1.00 0.00 H new ATOM 927 N ARG A 61 75.422 -10.960 15.536 1.00 0.00 N ATOM 928 CA ARG A 61 74.559 -11.618 16.511 1.00 0.00 C ATOM 929 C ARG A 61 73.203 -11.942 15.892 1.00 0.00 C ATOM 930 O ARG A 61 72.811 -11.351 14.886 1.00 0.00 O ATOM 931 CB ARG A 61 74.364 -10.715 17.730 1.00 0.00 C ATOM 932 CG ARG A 61 75.720 -10.442 18.385 1.00 0.00 C ATOM 933 CD ARG A 61 75.504 -9.813 19.762 1.00 0.00 C ATOM 934 NE ARG A 61 74.870 -10.770 20.662 1.00 0.00 N ATOM 935 CZ ARG A 61 75.574 -11.737 21.241 1.00 0.00 C ATOM 936 NH1 ARG A 61 74.983 -12.582 22.043 1.00 0.00 N ATOM 937 NH2 ARG A 61 76.853 -11.843 21.008 1.00 0.00 N ATOM 0 H ARG A 61 75.160 -9.999 15.316 1.00 0.00 H new ATOM 0 HA ARG A 61 75.036 -12.548 16.822 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.898 -9.777 17.430 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.692 -11.191 18.445 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.283 -11.371 18.482 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.311 -9.775 17.757 1.00 0.00 H new ATOM 0 HD2 ARG A 61 76.460 -9.492 20.176 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.881 -8.923 19.669 1.00 0.00 H new ATOM 0 HE ARG A 61 73.870 -10.696 20.850 1.00 0.00 H new ATOM 0 HH11 ARG A 61 73.983 -12.499 22.224 1.00 0.00 H new ATOM 0 HH12 ARG A 61 75.522 -13.325 22.488 1.00 0.00 H new ATOM 0 HH21 ARG A 61 77.314 -11.183 20.381 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.393 -12.586 21.453 1.00 0.00 H new ATOM 951 N GLN A 62 72.491 -12.884 16.500 1.00 0.00 N ATOM 952 CA GLN A 62 71.179 -13.280 16.001 1.00 0.00 C ATOM 953 C GLN A 62 70.077 -12.498 16.709 1.00 0.00 C ATOM 954 O GLN A 62 70.174 -12.215 17.903 1.00 0.00 O ATOM 955 CB GLN A 62 70.966 -14.779 16.219 1.00 0.00 C ATOM 956 CG GLN A 62 71.917 -15.566 15.315 1.00 0.00 C ATOM 957 CD GLN A 62 71.828 -17.055 15.636 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.608 -17.430 16.787 1.00 0.00 O ATOM 959 NE2 GLN A 62 71.988 -17.929 14.680 1.00 0.00 N ATOM 0 H GLN A 62 72.797 -13.385 17.334 1.00 0.00 H new ATOM 0 HA GLN A 62 71.136 -13.060 14.934 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.145 -15.035 17.263 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.933 -15.046 15.998 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.663 -15.395 14.269 1.00 0.00 H new ATOM 0 HG3 GLN A 62 72.939 -15.216 15.456 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.170 -17.615 13.727 1.00 0.00 H new ATOM 0 HE22 GLN A 62 71.931 -18.926 14.886 1.00 0.00 H new ATOM 968 N ILE A 63 69.032 -12.154 15.965 1.00 0.00 N ATOM 969 CA ILE A 63 67.916 -11.404 16.533 1.00 0.00 C ATOM 970 C ILE A 63 66.590 -12.077 16.193 1.00 0.00 C ATOM 971 O ILE A 63 66.520 -12.915 15.294 1.00 0.00 O ATOM 972 CB ILE A 63 67.918 -9.974 15.989 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.680 -10.004 14.478 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.269 -9.319 16.279 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.538 -8.574 13.955 1.00 0.00 C ATOM 0 H ILE A 63 68.933 -12.380 14.975 1.00 0.00 H new ATOM 0 HA ILE A 63 68.032 -11.381 17.617 1.00 0.00 H new ATOM 0 HB ILE A 63 67.126 -9.401 16.471 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.510 -10.504 13.978 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.780 -10.576 14.252 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.270 -8.300 15.891 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.440 -9.298 17.355 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.062 -9.891 15.797 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.368 -8.595 12.878 1.00 0.00 H new ATOM 0 HD12 ILE A 63 66.694 -8.089 14.446 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.450 -8.017 14.168 1.00 0.00 H new ATOM 987 N GLU A 64 65.540 -11.704 16.919 1.00 0.00 N ATOM 988 CA GLU A 64 64.220 -12.278 16.685 1.00 0.00 C ATOM 989 C GLU A 64 63.210 -11.183 16.360 1.00 0.00 C ATOM 990 O GLU A 64 62.710 -10.500 17.254 1.00 0.00 O ATOM 991 CB GLU A 64 63.759 -13.049 17.924 1.00 0.00 C ATOM 992 CG GLU A 64 64.960 -13.733 18.578 1.00 0.00 C ATOM 993 CD GLU A 64 64.491 -14.633 19.716 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.609 -14.217 20.449 1.00 0.00 O ATOM 995 OE2 GLU A 64 65.021 -15.725 19.839 1.00 0.00 O ATOM 0 H GLU A 64 65.577 -11.013 17.668 1.00 0.00 H new ATOM 0 HA GLU A 64 64.286 -12.959 15.837 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.285 -12.370 18.632 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.012 -13.792 17.645 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.502 -14.321 17.837 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.653 -12.983 18.958 1.00 0.00 H new ATOM 1002 N VAL A 65 62.914 -11.021 15.074 1.00 0.00 N ATOM 1003 CA VAL A 65 61.962 -10.004 14.641 1.00 0.00 C ATOM 1004 C VAL A 65 60.533 -10.520 14.769 1.00 0.00 C ATOM 1005 O VAL A 65 60.205 -11.597 14.270 1.00 0.00 O ATOM 1006 CB VAL A 65 62.238 -9.614 13.189 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.366 -8.417 12.806 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.714 -9.238 13.036 1.00 0.00 C ATOM 0 H VAL A 65 63.316 -11.576 14.319 1.00 0.00 H new ATOM 0 HA VAL A 65 62.079 -9.128 15.280 1.00 0.00 H new ATOM 0 HB VAL A 65 62.006 -10.455 12.536 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.563 -8.140 11.771 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.315 -8.683 12.916 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.598 -7.575 13.458 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.913 -8.960 12.001 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.945 -8.396 13.689 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.337 -10.090 13.309 1.00 0.00 H new ATOM 1018 N GLU A 66 59.686 -9.745 15.439 1.00 0.00 N ATOM 1019 CA GLU A 66 58.292 -10.134 15.624 1.00 0.00 C ATOM 1020 C GLU A 66 57.359 -9.055 15.088 1.00 0.00 C ATOM 1021 O GLU A 66 57.606 -7.862 15.266 1.00 0.00 O ATOM 1022 CB GLU A 66 58.009 -10.365 17.110 1.00 0.00 C ATOM 1023 CG GLU A 66 56.520 -10.662 17.306 1.00 0.00 C ATOM 1024 CD GLU A 66 56.268 -11.143 18.730 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.218 -11.198 19.493 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.127 -11.448 19.038 1.00 0.00 O ATOM 0 H GLU A 66 59.938 -8.851 15.860 1.00 0.00 H new ATOM 0 HA GLU A 66 58.115 -11.057 15.072 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.608 -11.197 17.480 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.294 -9.485 17.687 1.00 0.00 H new ATOM 0 HG2 GLU A 66 55.933 -9.766 17.107 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.195 -11.421 16.594 1.00 0.00 H new ATOM 1033 N ALA A 67 56.286 -9.481 14.430 1.00 0.00 N ATOM 1034 CA ALA A 67 55.321 -8.541 13.870 1.00 0.00 C ATOM 1035 C ALA A 67 53.895 -9.000 14.160 1.00 0.00 C ATOM 1036 O ALA A 67 53.558 -10.168 13.966 1.00 0.00 O ATOM 1037 CB ALA A 67 55.523 -8.422 12.359 1.00 0.00 C ATOM 0 H ALA A 67 56.063 -10.464 14.272 1.00 0.00 H new ATOM 0 HA ALA A 67 55.479 -7.568 14.335 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.798 -7.718 11.949 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.532 -8.064 12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.383 -9.398 11.895 1.00 0.00 H new ATOM 1043 N THR A 68 53.063 -8.074 14.626 1.00 0.00 N ATOM 1044 CA THR A 68 51.676 -8.396 14.939 1.00 0.00 C ATOM 1045 C THR A 68 50.729 -7.429 14.236 1.00 0.00 C ATOM 1046 O THR A 68 50.923 -6.214 14.278 1.00 0.00 O ATOM 1047 CB THR A 68 51.452 -8.323 16.452 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.438 -9.104 17.113 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.061 -8.862 16.790 1.00 0.00 C ATOM 0 H THR A 68 53.323 -7.102 14.794 1.00 0.00 H new ATOM 0 HA THR A 68 51.470 -9.407 14.589 1.00 0.00 H new ATOM 0 HB THR A 68 51.528 -7.287 16.781 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.297 -9.057 18.082 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.902 -8.810 17.867 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.305 -8.263 16.282 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.983 -9.898 16.462 1.00 0.00 H new ATOM 1057 N GLY A 69 49.706 -7.977 13.590 1.00 0.00 N ATOM 1058 CA GLY A 69 48.734 -7.152 12.879 1.00 0.00 C ATOM 1059 C GLY A 69 48.331 -7.800 11.559 1.00 0.00 C ATOM 1060 O GLY A 69 48.981 -8.734 11.090 1.00 0.00 O ATOM 0 H GLY A 69 49.528 -8.980 13.543 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.851 -7.006 13.501 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.158 -6.166 12.690 1.00 0.00 H new ATOM 1064 N PRO A 70 47.275 -7.319 10.962 1.00 0.00 N ATOM 1065 CA PRO A 70 46.766 -7.854 9.667 1.00 0.00 C ATOM 1066 C PRO A 70 47.880 -8.025 8.637 1.00 0.00 C ATOM 1067 O PRO A 70 47.933 -9.030 7.927 1.00 0.00 O ATOM 1068 CB PRO A 70 45.758 -6.797 9.210 1.00 0.00 C ATOM 1069 CG PRO A 70 45.298 -6.121 10.458 1.00 0.00 C ATOM 1070 CD PRO A 70 46.451 -6.208 11.460 1.00 0.00 C ATOM 0 HA PRO A 70 46.329 -8.847 9.778 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.219 -6.085 8.525 1.00 0.00 H new ATOM 0 HB3 PRO A 70 44.922 -7.254 8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.036 -5.082 10.260 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.405 -6.606 10.853 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.017 -5.277 11.498 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.088 -6.402 12.469 1.00 0.00 H new ATOM 1078 N GLN A 71 48.768 -7.039 8.562 1.00 0.00 N ATOM 1079 CA GLN A 71 49.876 -7.093 7.616 1.00 0.00 C ATOM 1080 C GLN A 71 51.167 -7.488 8.325 1.00 0.00 C ATOM 1081 O GLN A 71 52.264 -7.206 7.841 1.00 0.00 O ATOM 1082 CB GLN A 71 50.056 -5.729 6.944 1.00 0.00 C ATOM 1083 CG GLN A 71 48.876 -5.459 6.011 1.00 0.00 C ATOM 1084 CD GLN A 71 49.012 -4.075 5.385 1.00 0.00 C ATOM 1085 OE1 GLN A 71 50.118 -3.647 5.058 1.00 0.00 O ATOM 1086 NE2 GLN A 71 47.945 -3.345 5.199 1.00 0.00 N ATOM 0 H GLN A 71 48.743 -6.199 9.140 1.00 0.00 H new ATOM 0 HA GLN A 71 49.647 -7.843 6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.122 -4.946 7.699 1.00 0.00 H new ATOM 0 HB3 GLN A 71 50.990 -5.709 6.382 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.838 -6.218 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 71 47.940 -5.526 6.566 1.00 0.00 H new ATOM 0 HE21 GLN A 71 47.029 -3.702 5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 71 48.028 -2.418 4.782 1.00 0.00 H new ATOM 1095 N GLU A 72 51.030 -8.140 9.475 1.00 0.00 N ATOM 1096 CA GLU A 72 52.194 -8.568 10.243 1.00 0.00 C ATOM 1097 C GLU A 72 53.182 -9.309 9.348 1.00 0.00 C ATOM 1098 O GLU A 72 54.393 -9.120 9.454 1.00 0.00 O ATOM 1099 CB GLU A 72 51.754 -9.481 11.388 1.00 0.00 C ATOM 1100 CG GLU A 72 51.248 -10.808 10.819 1.00 0.00 C ATOM 1101 CD GLU A 72 50.607 -11.639 11.926 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.677 -11.222 13.070 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.055 -12.681 11.612 1.00 0.00 O ATOM 0 H GLU A 72 50.132 -8.382 9.893 1.00 0.00 H new ATOM 0 HA GLU A 72 52.684 -7.684 10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.589 -9.659 12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.968 -8.999 11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.523 -10.621 10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.074 -11.360 10.371 1.00 0.00 H new ATOM 1110 N GLU A 73 52.657 -10.157 8.470 1.00 0.00 N ATOM 1111 CA GLU A 73 53.503 -10.923 7.562 1.00 0.00 C ATOM 1112 C GLU A 73 54.246 -9.994 6.608 1.00 0.00 C ATOM 1113 O GLU A 73 55.451 -10.137 6.398 1.00 0.00 O ATOM 1114 CB GLU A 73 52.650 -11.907 6.760 1.00 0.00 C ATOM 1115 CG GLU A 73 51.982 -12.900 7.712 1.00 0.00 C ATOM 1116 CD GLU A 73 51.229 -13.960 6.917 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.234 -13.875 5.699 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.656 -14.841 7.536 1.00 0.00 O ATOM 0 H GLU A 73 51.657 -10.331 8.368 1.00 0.00 H new ATOM 0 HA GLU A 73 54.233 -11.474 8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.893 -11.368 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.271 -12.440 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.734 -13.373 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.295 -12.374 8.375 1.00 0.00 H new ATOM 1125 N GLU A 74 53.519 -9.041 6.032 1.00 0.00 N ATOM 1126 CA GLU A 74 54.121 -8.094 5.100 1.00 0.00 C ATOM 1127 C GLU A 74 55.282 -7.357 5.760 1.00 0.00 C ATOM 1128 O GLU A 74 56.374 -7.268 5.199 1.00 0.00 O ATOM 1129 CB GLU A 74 53.071 -7.084 4.632 1.00 0.00 C ATOM 1130 CG GLU A 74 52.013 -7.799 3.791 1.00 0.00 C ATOM 1131 CD GLU A 74 51.028 -6.786 3.219 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.180 -5.612 3.512 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.135 -7.199 2.497 1.00 0.00 O ATOM 0 H GLU A 74 52.521 -8.905 6.192 1.00 0.00 H new ATOM 0 HA GLU A 74 54.500 -8.648 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.604 -6.605 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.545 -6.296 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.492 -8.350 2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.483 -8.529 4.403 1.00 0.00 H new ATOM 1140 N ALA A 75 55.038 -6.828 6.955 1.00 0.00 N ATOM 1141 CA ALA A 75 56.071 -6.101 7.683 1.00 0.00 C ATOM 1142 C ALA A 75 57.303 -6.977 7.881 1.00 0.00 C ATOM 1143 O ALA A 75 58.431 -6.541 7.652 1.00 0.00 O ATOM 1144 CB ALA A 75 55.535 -5.654 9.044 1.00 0.00 C ATOM 0 H ALA A 75 54.141 -6.888 7.437 1.00 0.00 H new ATOM 0 HA ALA A 75 56.353 -5.225 7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.313 -5.112 9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.673 -5.003 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.237 -6.528 9.623 1.00 0.00 H new ATOM 1150 N LEU A 76 57.079 -8.216 8.308 1.00 0.00 N ATOM 1151 CA LEU A 76 58.179 -9.146 8.534 1.00 0.00 C ATOM 1152 C LEU A 76 58.891 -9.460 7.222 1.00 0.00 C ATOM 1153 O LEU A 76 60.121 -9.482 7.161 1.00 0.00 O ATOM 1154 CB LEU A 76 57.648 -10.441 9.151 1.00 0.00 C ATOM 1155 CG LEU A 76 58.821 -11.363 9.493 1.00 0.00 C ATOM 1156 CD1 LEU A 76 59.665 -10.726 10.598 1.00 0.00 C ATOM 1157 CD2 LEU A 76 58.284 -12.712 9.974 1.00 0.00 C ATOM 0 H LEU A 76 56.153 -8.597 8.503 1.00 0.00 H new ATOM 0 HA LEU A 76 58.889 -8.682 9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 76 57.073 -10.219 10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 76 56.972 -10.938 8.455 1.00 0.00 H new ATOM 0 HG LEU A 76 59.437 -11.512 8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 76 60.500 -11.382 10.842 1.00 0.00 H new ATOM 0 HD12 LEU A 76 60.047 -9.764 10.255 1.00 0.00 H new ATOM 0 HD13 LEU A 76 59.050 -10.577 11.485 1.00 0.00 H new ATOM 0 HD21 LEU A 76 59.118 -13.370 10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.668 -12.563 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 76 57.682 -13.166 9.186 1.00 0.00 H new ATOM 1169 N ALA A 77 58.111 -9.703 6.173 1.00 0.00 N ATOM 1170 CA ALA A 77 58.678 -10.016 4.867 1.00 0.00 C ATOM 1171 C ALA A 77 59.538 -8.860 4.367 1.00 0.00 C ATOM 1172 O ALA A 77 60.626 -9.070 3.830 1.00 0.00 O ATOM 1173 CB ALA A 77 57.557 -10.291 3.864 1.00 0.00 C ATOM 0 H ALA A 77 57.091 -9.689 6.202 1.00 0.00 H new ATOM 0 HA ALA A 77 59.303 -10.904 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 77 57.989 -10.524 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 77 56.960 -11.136 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 77 56.922 -9.409 3.777 1.00 0.00 H new ATOM 1179 N ALA A 78 59.043 -7.639 4.547 1.00 0.00 N ATOM 1180 CA ALA A 78 59.775 -6.457 4.110 1.00 0.00 C ATOM 1181 C ALA A 78 61.116 -6.360 4.831 1.00 0.00 C ATOM 1182 O ALA A 78 62.142 -6.066 4.218 1.00 0.00 O ATOM 1183 CB ALA A 78 58.952 -5.198 4.392 1.00 0.00 C ATOM 0 H ALA A 78 58.145 -7.444 4.989 1.00 0.00 H new ATOM 0 HA ALA A 78 59.955 -6.541 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.507 -4.319 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.006 -5.253 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.756 -5.123 5.462 1.00 0.00 H new ATOM 1189 N VAL A 79 61.100 -6.609 6.137 1.00 0.00 N ATOM 1190 CA VAL A 79 62.320 -6.549 6.932 1.00 0.00 C ATOM 1191 C VAL A 79 63.278 -7.665 6.529 1.00 0.00 C ATOM 1192 O VAL A 79 64.481 -7.444 6.386 1.00 0.00 O ATOM 1193 CB VAL A 79 61.983 -6.674 8.418 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.266 -6.564 9.245 1.00 0.00 C ATOM 1195 CG2 VAL A 79 61.022 -5.552 8.818 1.00 0.00 C ATOM 0 H VAL A 79 60.261 -6.853 6.664 1.00 0.00 H new ATOM 0 HA VAL A 79 62.802 -5.589 6.750 1.00 0.00 H new ATOM 0 HB VAL A 79 61.514 -7.640 8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 79 63.025 -6.653 10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.952 -7.362 8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.736 -5.598 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.781 -5.640 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.492 -4.586 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.107 -5.629 8.230 1.00 0.00 H new ATOM 1205 N ILE A 80 62.737 -8.865 6.349 1.00 0.00 N ATOM 1206 CA ILE A 80 63.553 -10.010 5.962 1.00 0.00 C ATOM 1207 C ILE A 80 64.155 -9.795 4.577 1.00 0.00 C ATOM 1208 O ILE A 80 65.317 -10.124 4.338 1.00 0.00 O ATOM 1209 CB ILE A 80 62.703 -11.281 5.959 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.467 -11.739 7.400 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.433 -12.383 5.189 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.476 -12.904 7.411 1.00 0.00 C ATOM 0 H ILE A 80 61.744 -9.070 6.464 1.00 0.00 H new ATOM 0 HA ILE A 80 64.362 -10.116 6.685 1.00 0.00 H new ATOM 0 HB ILE A 80 61.746 -11.076 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.409 -12.045 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.080 -10.913 7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 80 62.826 -13.289 5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.603 -12.058 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.390 -12.588 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.309 -13.230 8.438 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.531 -12.582 6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.881 -13.732 6.829 1.00 0.00 H new ATOM 1224 N ALA A 81 63.359 -9.240 3.670 1.00 0.00 N ATOM 1225 CA ALA A 81 63.825 -8.985 2.312 1.00 0.00 C ATOM 1226 C ALA A 81 64.989 -8.000 2.322 1.00 0.00 C ATOM 1227 O ALA A 81 65.906 -8.100 1.507 1.00 0.00 O ATOM 1228 CB ALA A 81 62.683 -8.420 1.465 1.00 0.00 C ATOM 0 H ALA A 81 62.395 -8.960 3.848 1.00 0.00 H new ATOM 0 HA ALA A 81 64.164 -9.927 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.040 -8.232 0.452 1.00 0.00 H new ATOM 0 HB2 ALA A 81 61.863 -9.138 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.331 -7.487 1.905 1.00 0.00 H new ATOM 1234 N LEU A 82 64.947 -7.051 3.252 1.00 0.00 N ATOM 1235 CA LEU A 82 66.005 -6.053 3.359 1.00 0.00 C ATOM 1236 C LEU A 82 67.275 -6.680 3.925 1.00 0.00 C ATOM 1237 O LEU A 82 68.380 -6.386 3.469 1.00 0.00 O ATOM 1238 CB LEU A 82 65.551 -4.907 4.264 1.00 0.00 C ATOM 1239 CG LEU A 82 65.115 -3.719 3.405 1.00 0.00 C ATOM 1240 CD1 LEU A 82 66.340 -3.099 2.730 1.00 0.00 C ATOM 1241 CD2 LEU A 82 64.132 -4.200 2.335 1.00 0.00 C ATOM 0 H LEU A 82 64.198 -6.952 3.937 1.00 0.00 H new ATOM 0 HA LEU A 82 66.217 -5.665 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.726 -5.234 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.363 -4.610 4.928 1.00 0.00 H new ATOM 0 HG LEU A 82 64.632 -2.972 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 82 66.029 -2.252 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 82 67.041 -2.758 3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 82 66.824 -3.844 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 82 63.820 -3.355 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 82 64.616 -4.946 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 82 63.259 -4.642 2.815 1.00 0.00 H new ATOM 1253 N PHE A 83 67.109 -7.543 4.922 1.00 0.00 N ATOM 1254 CA PHE A 83 68.250 -8.206 5.543 1.00 0.00 C ATOM 1255 C PHE A 83 68.862 -9.226 4.589 1.00 0.00 C ATOM 1256 O PHE A 83 70.071 -9.460 4.606 1.00 0.00 O ATOM 1257 CB PHE A 83 67.810 -8.908 6.829 1.00 0.00 C ATOM 1258 CG PHE A 83 67.272 -7.886 7.803 1.00 0.00 C ATOM 1259 CD1 PHE A 83 67.189 -6.539 7.429 1.00 0.00 C ATOM 1260 CD2 PHE A 83 66.857 -8.285 9.078 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.691 -5.592 8.331 1.00 0.00 C ATOM 1262 CE2 PHE A 83 66.359 -7.338 9.980 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.276 -5.991 9.607 1.00 0.00 C ATOM 0 H PHE A 83 66.203 -7.798 5.315 1.00 0.00 H new ATOM 0 HA PHE A 83 69.000 -7.451 5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 83 67.045 -9.652 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.652 -9.440 7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 83 67.509 -6.231 6.445 1.00 0.00 H new ATOM 0 HD2 PHE A 83 66.921 -9.324 9.366 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.627 -4.553 8.043 1.00 0.00 H new ATOM 0 HE2 PHE A 83 66.039 -7.646 10.964 1.00 0.00 H new ATOM 0 HZ PHE A 83 65.892 -5.260 10.303 1.00 0.00 H new