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 Set 1.1: A 47 ASN : amide:sc= -2.5! C(o=-3.1!,f=-8.9!) USER MOD Set 1.2: A 48 SER OG : rot 33:sc= -0.645 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0201) USER MOD Single : A 5 GLN : amide:sc= -3.57! K(o=-3.6!,f=-1.8) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= -0.0155 (180deg=-0.28) USER MOD Single : A 27 MET CE :methyl 169:sc= 0 (180deg=-0.243) USER MOD Single : A 28 GLN : amide:sc= -0.0593 K(o=-0.059,f=-1.5!) USER MOD Single : A 38 ASN : amide:sc= -1.76! C(o=-1.8!,f=-4.7!) USER MOD Single : A 42 THR OG1 : 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+ 160:sc= -0.0428 (180deg=-0.516) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.706 -13.157 14.476 1.00 0.00 N ATOM 35 CA VAL A 3 54.608 -13.863 13.573 1.00 0.00 C ATOM 36 C VAL A 3 56.036 -13.353 13.734 1.00 0.00 C ATOM 37 O VAL A 3 56.323 -12.187 13.460 1.00 0.00 O ATOM 38 CB VAL A 3 54.154 -13.669 12.125 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.128 -14.381 11.184 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.753 -14.258 11.947 1.00 0.00 C ATOM 0 HA VAL A 3 54.584 -14.924 13.822 1.00 0.00 H new ATOM 0 HB VAL A 3 54.135 -12.605 11.891 1.00 0.00 H new ATOM 0 HG11 VAL A 3 54.804 -14.243 10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.127 -13.963 11.310 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.148 -15.445 11.418 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.429 -14.120 10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.773 -15.322 12.182 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.058 -13.752 12.617 1.00 0.00 H new ATOM 50 N LYS A 4 56.927 -14.232 14.179 1.00 0.00 N ATOM 51 CA LYS A 4 58.324 -13.859 14.373 1.00 0.00 C ATOM 52 C LYS A 4 59.230 -14.678 13.460 1.00 0.00 C ATOM 53 O LYS A 4 58.792 -15.646 12.839 1.00 0.00 O ATOM 54 CB LYS A 4 58.727 -14.084 15.831 1.00 0.00 C ATOM 55 CG LYS A 4 57.809 -15.136 16.458 1.00 0.00 C ATOM 56 CD LYS A 4 58.458 -15.687 17.730 1.00 0.00 C ATOM 57 CE LYS A 4 57.622 -16.851 18.265 1.00 0.00 C ATOM 58 NZ LYS A 4 56.379 -16.322 18.895 1.00 0.00 N ATOM 0 H LYS A 4 56.710 -15.201 14.411 1.00 0.00 H new ATOM 0 HA LYS A 4 58.436 -12.804 14.124 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.765 -14.412 15.886 1.00 0.00 H new ATOM 0 HB3 LYS A 4 58.659 -13.149 16.387 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.840 -14.695 16.693 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.628 -15.945 15.750 1.00 0.00 H new ATOM 0 HD2 LYS A 4 59.473 -16.022 17.518 1.00 0.00 H new ATOM 0 HD3 LYS A 4 58.532 -14.902 18.483 1.00 0.00 H new ATOM 0 HE2 LYS A 4 57.369 -17.534 17.454 1.00 0.00 H new ATOM 0 HE3 LYS A 4 58.198 -17.421 18.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 55.860 -17.102 19.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 56.629 -15.610 19.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.780 -15.885 18.166 1.00 0.00 H new ATOM 72 N GLN A 5 60.498 -14.283 13.384 1.00 0.00 N ATOM 73 CA GLN A 5 61.459 -14.988 12.544 1.00 0.00 C ATOM 74 C GLN A 5 62.886 -14.618 12.938 1.00 0.00 C ATOM 75 O GLN A 5 63.221 -13.439 13.056 1.00 0.00 O ATOM 76 CB GLN A 5 61.225 -14.637 11.073 1.00 0.00 C ATOM 77 CG GLN A 5 60.055 -15.460 10.531 1.00 0.00 C ATOM 78 CD GLN A 5 59.907 -15.231 9.030 1.00 0.00 C ATOM 79 OE1 GLN A 5 60.284 -16.087 8.231 1.00 0.00 O ATOM 80 NE2 GLN A 5 59.379 -14.119 8.599 1.00 0.00 N ATOM 0 H GLN A 5 60.881 -13.485 13.890 1.00 0.00 H new ATOM 0 HA GLN A 5 61.321 -16.060 12.686 1.00 0.00 H new ATOM 0 HB2 GLN A 5 61.012 -13.573 10.972 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.125 -14.839 10.492 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.221 -16.519 10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 5 59.134 -15.179 11.043 1.00 0.00 H new ATOM 0 HE21 GLN A 5 59.067 -13.411 9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 5 59.278 -13.957 7.597 1.00 0.00 H new ATOM 89 N THR A 6 63.721 -15.632 13.139 1.00 0.00 N ATOM 90 CA THR A 6 65.110 -15.400 13.520 1.00 0.00 C ATOM 91 C THR A 6 65.952 -15.054 12.296 1.00 0.00 C ATOM 92 O THR A 6 65.976 -15.800 11.317 1.00 0.00 O ATOM 93 CB THR A 6 65.681 -16.647 14.200 1.00 0.00 C ATOM 94 OG1 THR A 6 64.635 -17.582 14.424 1.00 0.00 O ATOM 95 CG2 THR A 6 66.316 -16.258 15.534 1.00 0.00 C ATOM 0 H THR A 6 63.464 -16.615 13.046 1.00 0.00 H new ATOM 0 HA THR A 6 65.140 -14.561 14.216 1.00 0.00 H new ATOM 0 HB THR A 6 66.439 -17.096 13.559 1.00 0.00 H new ATOM 0 HG1 THR A 6 64.999 -18.382 14.858 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.722 -17.147 16.017 1.00 0.00 H new ATOM 0 HG22 THR A 6 67.119 -15.541 15.360 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.561 -15.808 16.179 1.00 0.00 H new ATOM 103 N VAL A 7 66.639 -13.919 12.359 1.00 0.00 N ATOM 104 CA VAL A 7 67.480 -13.484 11.249 1.00 0.00 C ATOM 105 C VAL A 7 68.882 -13.140 11.742 1.00 0.00 C ATOM 106 O VAL A 7 69.048 -12.330 12.654 1.00 0.00 O ATOM 107 CB VAL A 7 66.861 -12.260 10.574 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.788 -11.765 9.463 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.506 -12.642 9.971 1.00 0.00 C ATOM 0 H VAL A 7 66.631 -13.287 13.160 1.00 0.00 H new ATOM 0 HA VAL A 7 67.550 -14.300 10.529 1.00 0.00 H new ATOM 0 HB VAL A 7 66.724 -11.470 11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.346 -10.892 8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.754 -11.494 9.889 1.00 0.00 H new ATOM 0 HG13 VAL A 7 67.926 -12.555 8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.063 -11.770 9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.646 -13.432 9.233 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.843 -12.996 10.761 1.00 0.00 H new ATOM 119 N GLU A 8 69.888 -13.759 11.132 1.00 0.00 N ATOM 120 CA GLU A 8 71.271 -13.510 11.519 1.00 0.00 C ATOM 121 C GLU A 8 71.719 -12.129 11.051 1.00 0.00 C ATOM 122 O GLU A 8 71.479 -11.742 9.907 1.00 0.00 O ATOM 123 CB GLU A 8 72.184 -14.577 10.909 1.00 0.00 C ATOM 124 CG GLU A 8 71.862 -15.939 11.528 1.00 0.00 C ATOM 125 CD GLU A 8 72.705 -17.024 10.868 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.410 -16.707 9.924 1.00 0.00 O ATOM 127 OE2 GLU A 8 72.635 -18.157 11.316 1.00 0.00 O ATOM 0 H GLU A 8 69.773 -14.431 10.374 1.00 0.00 H new ATOM 0 HA GLU A 8 71.337 -13.552 12.606 1.00 0.00 H new ATOM 0 HB2 GLU A 8 72.045 -14.615 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 8 73.229 -14.322 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 8 72.058 -15.916 12.600 1.00 0.00 H new ATOM 0 HG3 GLU A 8 70.803 -16.163 11.403 1.00 0.00 H new ATOM 134 N ILE A 9 72.369 -11.390 11.944 1.00 0.00 N ATOM 135 CA ILE A 9 72.846 -10.053 11.612 1.00 0.00 C ATOM 136 C ILE A 9 74.199 -10.125 10.911 1.00 0.00 C ATOM 137 O ILE A 9 75.172 -10.632 11.469 1.00 0.00 O ATOM 138 CB ILE A 9 72.973 -9.213 12.884 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.590 -8.704 13.298 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.895 -8.022 12.621 1.00 0.00 C ATOM 141 CD1 ILE A 9 70.889 -8.087 12.087 1.00 0.00 C ATOM 0 H ILE A 9 72.576 -11.691 12.896 1.00 0.00 H new ATOM 0 HA ILE A 9 72.125 -9.588 10.940 1.00 0.00 H new ATOM 0 HB ILE A 9 73.391 -9.826 13.683 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.994 -9.524 13.698 1.00 0.00 H new ATOM 0 HG13 ILE A 9 71.686 -7.963 14.092 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.985 -7.424 13.528 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.880 -8.383 12.325 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.478 -7.409 11.822 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.904 -7.725 12.382 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.483 -7.255 11.707 1.00 0.00 H new ATOM 0 HD13 ILE A 9 70.780 -8.840 11.307 1.00 0.00 H new ATOM 297 N PRO A 19 67.197 0.007 6.628 1.00 0.00 N ATOM 298 CA PRO A 19 66.047 -0.874 6.981 1.00 0.00 C ATOM 299 C PRO A 19 65.365 -0.438 8.274 1.00 0.00 C ATOM 300 O PRO A 19 64.137 -0.418 8.363 1.00 0.00 O ATOM 301 CB PRO A 19 66.686 -2.256 7.139 1.00 0.00 C ATOM 302 CG PRO A 19 67.922 -2.222 6.302 1.00 0.00 C ATOM 303 CD PRO A 19 68.396 -0.767 6.272 1.00 0.00 C ATOM 0 HA PRO A 19 65.262 -0.846 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 19 66.924 -2.461 8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.008 -3.042 6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 19 68.691 -2.870 6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 19 67.716 -2.582 5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.206 -0.597 6.981 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.772 -0.490 5.287 1.00 0.00 H new ATOM 311 N ALA A 20 66.169 -0.089 9.274 1.00 0.00 N ATOM 312 CA ALA A 20 65.631 0.345 10.558 1.00 0.00 C ATOM 313 C ALA A 20 64.795 1.609 10.386 1.00 0.00 C ATOM 314 O ALA A 20 63.671 1.693 10.881 1.00 0.00 O ATOM 315 CB ALA A 20 66.773 0.616 11.539 1.00 0.00 C ATOM 0 H ALA A 20 67.188 -0.098 9.221 1.00 0.00 H new ATOM 0 HA ALA A 20 64.996 -0.448 10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.362 0.940 12.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.353 -0.296 11.683 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.419 1.397 11.139 1.00 0.00 H new ATOM 321 N MET A 21 65.351 2.591 9.683 1.00 0.00 N ATOM 322 CA MET A 21 64.647 3.846 9.453 1.00 0.00 C ATOM 323 C MET A 21 63.398 3.612 8.610 1.00 0.00 C ATOM 324 O MET A 21 62.346 4.198 8.864 1.00 0.00 O ATOM 325 CB MET A 21 65.568 4.839 8.741 1.00 0.00 C ATOM 326 CG MET A 21 66.542 5.447 9.750 1.00 0.00 C ATOM 327 SD MET A 21 65.618 6.380 10.995 1.00 0.00 S ATOM 328 CE MET A 21 66.961 6.553 12.194 1.00 0.00 C ATOM 0 H MET A 21 66.280 2.542 9.266 1.00 0.00 H new ATOM 0 HA MET A 21 64.349 4.256 10.418 1.00 0.00 H new ATOM 0 HB2 MET A 21 66.119 4.335 7.947 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.978 5.625 8.270 1.00 0.00 H new ATOM 0 HG2 MET A 21 67.125 4.660 10.229 1.00 0.00 H new ATOM 0 HG3 MET A 21 67.249 6.102 9.240 1.00 0.00 H new ATOM 0 HE1 MET A 21 66.605 7.109 13.061 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.297 5.565 12.509 1.00 0.00 H new ATOM 0 HE3 MET A 21 67.792 7.089 11.735 1.00 0.00 H new ATOM 338 N LYS A 22 63.523 2.750 7.605 1.00 0.00 N ATOM 339 CA LYS A 22 62.396 2.444 6.730 1.00 0.00 C ATOM 340 C LYS A 22 61.298 1.724 7.505 1.00 0.00 C ATOM 341 O LYS A 22 60.112 1.928 7.254 1.00 0.00 O ATOM 342 CB LYS A 22 62.862 1.567 5.566 1.00 0.00 C ATOM 343 CG LYS A 22 63.555 2.438 4.516 1.00 0.00 C ATOM 344 CD LYS A 22 63.839 1.602 3.267 1.00 0.00 C ATOM 345 CE LYS A 22 64.694 2.415 2.293 1.00 0.00 C ATOM 346 NZ LYS A 22 63.931 3.614 1.844 1.00 0.00 N ATOM 0 H LYS A 22 64.385 2.255 7.378 1.00 0.00 H new ATOM 0 HA LYS A 22 61.996 3.380 6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.547 0.799 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 22 62.011 1.051 5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 22 62.924 3.290 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 22 64.486 2.839 4.917 1.00 0.00 H new ATOM 0 HD2 LYS A 22 64.356 0.683 3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.903 1.311 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.622 2.721 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.968 1.802 1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.419 4.054 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.974 3.328 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.867 4.297 2.625 1.00 0.00 H new ATOM 360 N LEU A 23 61.705 0.879 8.449 1.00 0.00 N ATOM 361 CA LEU A 23 60.746 0.134 9.256 1.00 0.00 C ATOM 362 C LEU A 23 59.685 1.070 9.827 1.00 0.00 C ATOM 363 O LEU A 23 58.491 0.775 9.776 1.00 0.00 O ATOM 364 CB LEU A 23 61.469 -0.579 10.401 1.00 0.00 C ATOM 365 CG LEU A 23 61.469 -2.086 10.144 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.391 -2.776 11.152 1.00 0.00 C ATOM 367 CD2 LEU A 23 60.047 -2.628 10.302 1.00 0.00 C ATOM 0 H LEU A 23 62.683 0.695 8.672 1.00 0.00 H new ATOM 0 HA LEU A 23 60.259 -0.604 8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.493 -0.213 10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.976 -0.361 11.348 1.00 0.00 H new ATOM 0 HG LEU A 23 61.825 -2.282 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.391 -3.851 10.969 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.404 -2.389 11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 62.035 -2.580 12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 23 60.045 -3.703 10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.693 -2.431 11.314 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.389 -2.137 9.586 1.00 0.00 H new ATOM 379 N PHE A 24 60.130 2.200 10.367 1.00 0.00 N ATOM 380 CA PHE A 24 59.209 3.172 10.944 1.00 0.00 C ATOM 381 C PHE A 24 58.141 3.563 9.929 1.00 0.00 C ATOM 382 O PHE A 24 56.974 3.742 10.278 1.00 0.00 O ATOM 383 CB PHE A 24 59.976 4.420 11.386 1.00 0.00 C ATOM 384 CG PHE A 24 60.401 4.266 12.826 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.553 3.535 13.142 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.645 4.856 13.846 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.947 3.392 14.478 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.039 4.714 15.182 1.00 0.00 C ATOM 389 CZ PHE A 24 61.191 3.982 15.497 1.00 0.00 C ATOM 0 H PHE A 24 61.114 2.464 10.417 1.00 0.00 H new ATOM 0 HA PHE A 24 58.725 2.718 11.809 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.850 4.566 10.751 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.349 5.304 11.273 1.00 0.00 H new ATOM 0 HD1 PHE A 24 62.138 3.082 12.355 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.757 5.421 13.602 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.834 2.826 14.722 1.00 0.00 H new ATOM 0 HE2 PHE A 24 59.455 5.168 15.969 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.496 3.873 16.527 1.00 0.00 H new ATOM 399 N GLU A 25 58.547 3.690 8.670 1.00 0.00 N ATOM 400 CA GLU A 25 57.615 4.057 7.610 1.00 0.00 C ATOM 401 C GLU A 25 56.715 2.878 7.256 1.00 0.00 C ATOM 402 O GLU A 25 55.542 3.056 6.929 1.00 0.00 O ATOM 403 CB GLU A 25 58.388 4.504 6.367 1.00 0.00 C ATOM 404 CG GLU A 25 59.066 5.848 6.642 1.00 0.00 C ATOM 405 CD GLU A 25 59.942 6.241 5.458 1.00 0.00 C ATOM 406 OE1 GLU A 25 60.183 5.392 4.616 1.00 0.00 O ATOM 407 OE2 GLU A 25 60.359 7.387 5.410 1.00 0.00 O ATOM 0 H GLU A 25 59.508 3.545 8.360 1.00 0.00 H new ATOM 0 HA GLU A 25 56.994 4.879 7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.135 3.756 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.711 4.594 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.312 6.616 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.671 5.781 7.546 1.00 0.00 H new ATOM 414 N LEU A 26 57.273 1.674 7.326 1.00 0.00 N ATOM 415 CA LEU A 26 56.512 0.470 7.013 1.00 0.00 C ATOM 416 C LEU A 26 55.377 0.280 8.014 1.00 0.00 C ATOM 417 O LEU A 26 54.250 -0.040 7.636 1.00 0.00 O ATOM 418 CB LEU A 26 57.431 -0.752 7.041 1.00 0.00 C ATOM 419 CG LEU A 26 58.439 -0.660 5.894 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.324 -1.908 5.890 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.690 -0.563 4.564 1.00 0.00 C ATOM 0 H LEU A 26 58.243 1.506 7.595 1.00 0.00 H new ATOM 0 HA LEU A 26 56.087 0.580 6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 26 57.954 -0.805 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.842 -1.665 6.949 1.00 0.00 H new ATOM 0 HG LEU A 26 59.060 0.225 6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 26 60.042 -1.842 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.858 -1.978 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.703 -2.794 5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.408 -0.497 3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 26 57.068 -1.448 4.431 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.059 0.326 4.566 1.00 0.00 H new ATOM 433 N MET A 27 55.683 0.479 9.291 1.00 0.00 N ATOM 434 CA MET A 27 54.681 0.327 10.340 1.00 0.00 C ATOM 435 C MET A 27 53.484 1.234 10.072 1.00 0.00 C ATOM 436 O MET A 27 52.347 0.888 10.391 1.00 0.00 O ATOM 437 CB MET A 27 55.290 0.672 11.700 1.00 0.00 C ATOM 438 CG MET A 27 56.361 -0.361 12.057 1.00 0.00 C ATOM 439 SD MET A 27 57.472 0.328 13.308 1.00 0.00 S ATOM 440 CE MET A 27 56.298 0.315 14.686 1.00 0.00 C ATOM 0 H MET A 27 56.610 0.744 9.624 1.00 0.00 H new ATOM 0 HA MET A 27 54.344 -0.710 10.346 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.727 1.670 11.672 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.514 0.686 12.465 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.893 -1.271 12.433 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.926 -0.637 11.167 1.00 0.00 H new ATOM 0 HE1 MET A 27 56.827 0.519 15.617 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.539 1.080 14.524 1.00 0.00 H new ATOM 0 HE3 MET A 27 55.820 -0.663 14.748 1.00 0.00 H new ATOM 450 N GLN A 28 53.749 2.397 9.484 1.00 0.00 N ATOM 451 CA GLN A 28 52.686 3.346 9.177 1.00 0.00 C ATOM 452 C GLN A 28 51.932 2.918 7.922 1.00 0.00 C ATOM 453 O GLN A 28 50.703 2.977 7.875 1.00 0.00 O ATOM 454 CB GLN A 28 53.277 4.742 8.969 1.00 0.00 C ATOM 455 CG GLN A 28 53.887 5.240 10.280 1.00 0.00 C ATOM 456 CD GLN A 28 54.695 6.509 10.031 1.00 0.00 C ATOM 457 OE1 GLN A 28 55.246 6.693 8.945 1.00 0.00 O ATOM 458 NE2 GLN A 28 54.797 7.402 10.977 1.00 0.00 N ATOM 0 H GLN A 28 54.684 2.703 9.213 1.00 0.00 H new ATOM 0 HA GLN A 28 51.990 3.368 10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 28 54.038 4.713 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 28 52.502 5.430 8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 28 53.098 5.438 11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 28 54.528 4.469 10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 28 54.340 7.248 11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 28 55.334 8.255 10.818 1.00 0.00 H new ATOM 467 N GLY A 29 52.676 2.488 6.909 1.00 0.00 N ATOM 468 CA GLY A 29 52.066 2.053 5.658 1.00 0.00 C ATOM 469 C GLY A 29 51.304 0.746 5.850 1.00 0.00 C ATOM 470 O GLY A 29 50.221 0.560 5.294 1.00 0.00 O ATOM 0 H GLY A 29 53.694 2.431 6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 29 51.388 2.824 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 29 52.837 1.921 4.899 1.00 0.00 H new ATOM 474 N PHE A 30 51.877 -0.156 6.640 1.00 0.00 N ATOM 475 CA PHE A 30 51.242 -1.443 6.899 1.00 0.00 C ATOM 476 C PHE A 30 50.487 -1.412 8.224 1.00 0.00 C ATOM 477 O PHE A 30 50.672 -0.504 9.034 1.00 0.00 O ATOM 478 CB PHE A 30 52.298 -2.549 6.938 1.00 0.00 C ATOM 479 CG PHE A 30 53.179 -2.448 5.716 1.00 0.00 C ATOM 480 CD1 PHE A 30 54.424 -3.088 5.695 1.00 0.00 C ATOM 481 CD2 PHE A 30 52.751 -1.714 4.604 1.00 0.00 C ATOM 482 CE1 PHE A 30 55.241 -2.995 4.562 1.00 0.00 C ATOM 483 CE2 PHE A 30 53.567 -1.620 3.470 1.00 0.00 C ATOM 484 CZ PHE A 30 54.812 -2.261 3.449 1.00 0.00 C ATOM 0 H PHE A 30 52.773 -0.021 7.109 1.00 0.00 H new ATOM 0 HA PHE A 30 50.534 -1.645 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 30 52.900 -2.459 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 30 51.816 -3.526 6.972 1.00 0.00 H new ATOM 0 HD1 PHE A 30 54.754 -3.654 6.554 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.791 -1.220 4.621 1.00 0.00 H new ATOM 0 HE1 PHE A 30 56.201 -3.489 4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 30 53.236 -1.053 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.441 -2.189 2.574 1.00 0.00 H new ATOM 494 N ASP A 31 49.634 -2.409 8.437 1.00 0.00 N ATOM 495 CA ASP A 31 48.855 -2.486 9.668 1.00 0.00 C ATOM 496 C ASP A 31 49.363 -3.620 10.553 1.00 0.00 C ATOM 497 O ASP A 31 48.962 -4.772 10.393 1.00 0.00 O ATOM 498 CB ASP A 31 47.379 -2.715 9.339 1.00 0.00 C ATOM 499 CG ASP A 31 46.756 -1.426 8.815 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.421 -0.405 8.866 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.621 -1.478 8.369 1.00 0.00 O ATOM 0 H ASP A 31 49.465 -3.170 7.779 1.00 0.00 H new ATOM 0 HA ASP A 31 48.965 -1.544 10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.282 -3.505 8.594 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.847 -3.050 10.229 1.00 0.00 H new ATOM 506 N ALA A 32 50.247 -3.283 11.488 1.00 0.00 N ATOM 507 CA ALA A 32 50.803 -4.281 12.394 1.00 0.00 C ATOM 508 C ALA A 32 51.960 -3.693 13.193 1.00 0.00 C ATOM 509 O ALA A 32 52.627 -2.761 12.744 1.00 0.00 O ATOM 510 CB ALA A 32 51.292 -5.494 11.600 1.00 0.00 C ATOM 0 H ALA A 32 50.591 -2.334 11.637 1.00 0.00 H new ATOM 0 HA ALA A 32 50.020 -4.592 13.086 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.706 -6.234 12.285 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.457 -5.932 11.054 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.062 -5.181 10.895 1.00 0.00 H new ATOM 516 N GLU A 33 52.194 -4.243 14.381 1.00 0.00 N ATOM 517 CA GLU A 33 53.274 -3.764 15.234 1.00 0.00 C ATOM 518 C GLU A 33 54.513 -4.640 15.076 1.00 0.00 C ATOM 519 O GLU A 33 54.430 -5.866 15.142 1.00 0.00 O ATOM 520 CB GLU A 33 52.826 -3.770 16.698 1.00 0.00 C ATOM 521 CG GLU A 33 53.884 -3.077 17.559 1.00 0.00 C ATOM 522 CD GLU A 33 53.373 -2.922 18.987 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.248 -3.323 19.239 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.113 -2.404 19.808 1.00 0.00 O ATOM 0 H GLU A 33 51.654 -5.015 14.772 1.00 0.00 H new ATOM 0 HA GLU A 33 53.523 -2.746 14.934 1.00 0.00 H new ATOM 0 HB2 GLU A 33 51.869 -3.259 16.798 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.678 -4.794 17.040 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.806 -3.658 17.555 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.122 -2.099 17.141 1.00 0.00 H new ATOM 531 N VAL A 34 55.660 -4.001 14.869 1.00 0.00 N ATOM 532 CA VAL A 34 56.911 -4.733 14.702 1.00 0.00 C ATOM 533 C VAL A 34 57.794 -4.569 15.935 1.00 0.00 C ATOM 534 O VAL A 34 57.909 -3.475 16.487 1.00 0.00 O ATOM 535 CB VAL A 34 57.655 -4.223 13.468 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.021 -4.905 13.376 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.840 -4.545 12.213 1.00 0.00 C ATOM 0 H VAL A 34 55.750 -2.986 14.813 1.00 0.00 H new ATOM 0 HA VAL A 34 56.678 -5.790 14.573 1.00 0.00 H new ATOM 0 HB VAL A 34 57.792 -3.145 13.547 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.551 -4.541 12.496 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.602 -4.677 14.270 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.885 -5.984 13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.369 -4.182 11.332 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.703 -5.624 12.135 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.866 -4.059 12.277 1.00 0.00 H new ATOM 547 N LEU A 35 58.415 -5.663 16.362 1.00 0.00 N ATOM 548 CA LEU A 35 59.286 -5.629 17.531 1.00 0.00 C ATOM 549 C LEU A 35 60.540 -6.464 17.292 1.00 0.00 C ATOM 550 O LEU A 35 60.460 -7.602 16.828 1.00 0.00 O ATOM 551 CB LEU A 35 58.539 -6.162 18.755 1.00 0.00 C ATOM 552 CG LEU A 35 59.508 -6.286 19.932 1.00 0.00 C ATOM 553 CD1 LEU A 35 58.901 -5.616 21.166 1.00 0.00 C ATOM 554 CD2 LEU A 35 59.762 -7.765 20.228 1.00 0.00 C ATOM 0 H LEU A 35 58.333 -6.578 15.920 1.00 0.00 H new ATOM 0 HA LEU A 35 59.582 -4.595 17.709 1.00 0.00 H new ATOM 0 HB2 LEU A 35 57.720 -5.492 19.014 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.098 -7.133 18.530 1.00 0.00 H new ATOM 0 HG LEU A 35 60.450 -5.798 19.681 1.00 0.00 H new ATOM 0 HD11 LEU A 35 59.592 -5.704 22.005 1.00 0.00 H new ATOM 0 HD12 LEU A 35 58.719 -4.562 20.955 1.00 0.00 H new ATOM 0 HD13 LEU A 35 57.959 -6.103 21.418 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.452 -7.855 21.067 1.00 0.00 H new ATOM 0 HD22 LEU A 35 58.820 -8.253 20.480 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.195 -8.243 19.349 1.00 0.00 H new ATOM 566 N LEU A 36 61.696 -5.894 17.614 1.00 0.00 N ATOM 567 CA LEU A 36 62.960 -6.597 17.430 1.00 0.00 C ATOM 568 C LEU A 36 63.530 -7.035 18.775 1.00 0.00 C ATOM 569 O LEU A 36 63.246 -6.429 19.808 1.00 0.00 O ATOM 570 CB LEU A 36 63.966 -5.686 16.721 1.00 0.00 C ATOM 571 CG LEU A 36 63.315 -5.078 15.477 1.00 0.00 C ATOM 572 CD1 LEU A 36 63.053 -3.590 15.713 1.00 0.00 C ATOM 573 CD2 LEU A 36 64.250 -5.246 14.279 1.00 0.00 C ATOM 0 H LEU A 36 61.784 -4.954 18.001 1.00 0.00 H new ATOM 0 HA LEU A 36 62.777 -7.481 16.820 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.295 -4.896 17.395 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.852 -6.255 16.440 1.00 0.00 H new ATOM 0 HG LEU A 36 62.371 -5.586 15.277 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.589 -3.157 14.827 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.387 -3.469 16.567 1.00 0.00 H new ATOM 0 HD13 LEU A 36 63.996 -3.082 15.914 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.787 -4.813 13.392 1.00 0.00 H new ATOM 0 HD22 LEU A 36 65.194 -4.739 14.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 64.437 -6.306 14.109 1.00 0.00 H new ATOM 585 N ARG A 37 64.335 -8.093 18.755 1.00 0.00 N ATOM 586 CA ARG A 37 64.938 -8.604 19.980 1.00 0.00 C ATOM 587 C ARG A 37 66.356 -9.098 19.715 1.00 0.00 C ATOM 588 O ARG A 37 66.608 -9.793 18.730 1.00 0.00 O ATOM 589 CB ARG A 37 64.092 -9.749 20.541 1.00 0.00 C ATOM 590 CG ARG A 37 62.784 -9.191 21.102 1.00 0.00 C ATOM 591 CD ARG A 37 61.889 -10.345 21.558 1.00 0.00 C ATOM 592 NE ARG A 37 60.675 -9.828 22.178 1.00 0.00 N ATOM 593 CZ ARG A 37 59.667 -10.634 22.491 1.00 0.00 C ATOM 594 NH1 ARG A 37 58.589 -10.147 23.045 1.00 0.00 N ATOM 595 NH2 ARG A 37 59.753 -11.912 22.245 1.00 0.00 N ATOM 0 H ARG A 37 64.583 -8.609 17.911 1.00 0.00 H new ATOM 0 HA ARG A 37 64.979 -7.793 20.707 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.882 -10.478 19.758 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.642 -10.272 21.324 1.00 0.00 H new ATOM 0 HG2 ARG A 37 62.990 -8.524 21.939 1.00 0.00 H new ATOM 0 HG3 ARG A 37 62.273 -8.599 20.342 1.00 0.00 H new ATOM 0 HD2 ARG A 37 61.631 -10.973 20.705 1.00 0.00 H new ATOM 0 HD3 ARG A 37 62.428 -10.974 22.266 1.00 0.00 H new ATOM 0 HE ARG A 37 60.599 -8.830 22.375 1.00 0.00 H new ATOM 0 HH11 ARG A 37 58.521 -9.148 23.237 1.00 0.00 H new ATOM 0 HH12 ARG A 37 57.815 -10.766 23.285 1.00 0.00 H new ATOM 0 HH21 ARG A 37 60.595 -12.293 21.812 1.00 0.00 H new ATOM 0 HH22 ARG A 37 58.979 -12.531 22.485 1.00 0.00 H new ATOM 609 N ASN A 38 67.279 -8.735 20.598 1.00 0.00 N ATOM 610 CA ASN A 38 68.670 -9.148 20.449 1.00 0.00 C ATOM 611 C ASN A 38 68.919 -10.466 21.177 1.00 0.00 C ATOM 612 O ASN A 38 68.278 -10.758 22.188 1.00 0.00 O ATOM 613 CB ASN A 38 69.598 -8.070 21.012 1.00 0.00 C ATOM 614 CG ASN A 38 70.861 -7.974 20.164 1.00 0.00 C ATOM 615 OD1 ASN A 38 71.213 -8.923 19.464 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.568 -6.877 20.183 1.00 0.00 N ATOM 0 H ASN A 38 67.092 -8.160 21.419 1.00 0.00 H new ATOM 0 HA ASN A 38 68.876 -9.287 19.388 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.085 -7.108 21.026 1.00 0.00 H new ATOM 0 HB3 ASN A 38 69.860 -8.306 22.043 1.00 0.00 H new ATOM 0 HD21 ASN A 38 72.414 -6.805 19.617 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.275 -6.091 20.764 1.00 0.00 H new ATOM 623 N ASP A 39 69.851 -11.256 20.658 1.00 0.00 N ATOM 624 CA ASP A 39 70.175 -12.542 21.266 1.00 0.00 C ATOM 625 C ASP A 39 70.418 -12.379 22.764 1.00 0.00 C ATOM 626 O ASP A 39 70.153 -13.290 23.548 1.00 0.00 O ATOM 627 CB ASP A 39 71.422 -13.132 20.607 1.00 0.00 C ATOM 628 CG ASP A 39 72.660 -12.786 21.428 1.00 0.00 C ATOM 629 OD1 ASP A 39 73.140 -11.672 21.299 1.00 0.00 O ATOM 630 OD2 ASP A 39 73.111 -13.641 22.173 1.00 0.00 O ATOM 0 H ASP A 39 70.393 -11.032 19.823 1.00 0.00 H new ATOM 0 HA ASP A 39 69.332 -13.217 21.116 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.322 -14.214 20.524 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.527 -12.743 19.594 1.00 0.00 H new ATOM 635 N GLU A 40 70.923 -11.213 23.154 1.00 0.00 N ATOM 636 CA GLU A 40 71.198 -10.942 24.560 1.00 0.00 C ATOM 637 C GLU A 40 69.896 -10.783 25.339 1.00 0.00 C ATOM 638 O GLU A 40 69.903 -10.696 26.567 1.00 0.00 O ATOM 639 CB GLU A 40 72.033 -9.667 24.692 1.00 0.00 C ATOM 640 CG GLU A 40 73.409 -9.891 24.064 1.00 0.00 C ATOM 641 CD GLU A 40 74.167 -8.570 23.982 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.538 -7.539 24.151 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.364 -8.609 23.751 1.00 0.00 O ATOM 0 H GLU A 40 71.149 -10.446 22.521 1.00 0.00 H new ATOM 0 HA GLU A 40 71.754 -11.784 24.972 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.528 -8.836 24.200 1.00 0.00 H new ATOM 0 HB3 GLU A 40 72.141 -9.397 25.743 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.976 -10.609 24.657 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.298 -10.318 23.067 1.00 0.00 H new ATOM 650 N GLY A 41 68.780 -10.745 24.618 1.00 0.00 N ATOM 651 CA GLY A 41 67.476 -10.597 25.253 1.00 0.00 C ATOM 652 C GLY A 41 67.072 -9.128 25.328 1.00 0.00 C ATOM 653 O GLY A 41 66.106 -8.775 26.005 1.00 0.00 O ATOM 0 H GLY A 41 68.752 -10.814 23.601 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.728 -11.156 24.691 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.505 -11.022 26.256 1.00 0.00 H new ATOM 657 N THR A 42 67.816 -8.277 24.629 1.00 0.00 N ATOM 658 CA THR A 42 67.526 -6.848 24.625 1.00 0.00 C ATOM 659 C THR A 42 66.404 -6.533 23.641 1.00 0.00 C ATOM 660 O THR A 42 66.570 -6.673 22.429 1.00 0.00 O ATOM 661 CB THR A 42 68.781 -6.062 24.241 1.00 0.00 C ATOM 662 OG1 THR A 42 69.623 -5.934 25.377 1.00 0.00 O ATOM 663 CG2 THR A 42 68.382 -4.673 23.740 1.00 0.00 C ATOM 0 H THR A 42 68.619 -8.550 24.062 1.00 0.00 H new ATOM 0 HA THR A 42 67.208 -6.557 25.626 1.00 0.00 H new ATOM 0 HB THR A 42 69.314 -6.591 23.451 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.428 -5.432 25.132 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.277 -4.114 23.467 1.00 0.00 H new ATOM 0 HG22 THR A 42 67.736 -4.773 22.868 1.00 0.00 H new ATOM 0 HG23 THR A 42 67.849 -4.141 24.528 1.00 0.00 H new ATOM 671 N GLU A 43 65.262 -6.106 24.170 1.00 0.00 N ATOM 672 CA GLU A 43 64.118 -5.773 23.329 1.00 0.00 C ATOM 673 C GLU A 43 64.356 -4.455 22.597 1.00 0.00 C ATOM 674 O GLU A 43 64.237 -3.379 23.183 1.00 0.00 O ATOM 675 CB GLU A 43 62.855 -5.663 24.184 1.00 0.00 C ATOM 676 CG GLU A 43 62.887 -6.729 25.281 1.00 0.00 C ATOM 677 CD GLU A 43 63.097 -8.107 24.663 1.00 0.00 C ATOM 678 OE1 GLU A 43 64.243 -8.493 24.503 1.00 0.00 O ATOM 679 OE2 GLU A 43 62.109 -8.756 24.361 1.00 0.00 O ATOM 0 H GLU A 43 65.104 -5.983 25.170 1.00 0.00 H new ATOM 0 HA GLU A 43 63.990 -6.566 22.593 1.00 0.00 H new ATOM 0 HB2 GLU A 43 62.790 -4.670 24.629 1.00 0.00 H new ATOM 0 HB3 GLU A 43 61.969 -5.793 23.562 1.00 0.00 H new ATOM 0 HG2 GLU A 43 63.689 -6.512 25.987 1.00 0.00 H new ATOM 0 HG3 GLU A 43 61.953 -6.712 25.843 1.00 0.00 H new ATOM 686 N ALA A 44 64.694 -4.549 21.315 1.00 0.00 N ATOM 687 CA ALA A 44 64.946 -3.356 20.514 1.00 0.00 C ATOM 688 C ALA A 44 63.666 -2.891 19.827 1.00 0.00 C ATOM 689 O ALA A 44 63.580 -2.875 18.599 1.00 0.00 O ATOM 690 CB ALA A 44 66.014 -3.653 19.459 1.00 0.00 C ATOM 0 H ALA A 44 64.799 -5.430 20.812 1.00 0.00 H new ATOM 0 HA ALA A 44 65.298 -2.564 21.176 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.197 -2.758 18.865 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.938 -3.957 19.952 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.669 -4.456 18.808 1.00 0.00 H new ATOM 696 N GLU A 45 62.674 -2.514 20.628 1.00 0.00 N ATOM 697 CA GLU A 45 61.403 -2.050 20.085 1.00 0.00 C ATOM 698 C GLU A 45 61.632 -1.166 18.863 1.00 0.00 C ATOM 699 O GLU A 45 62.291 -0.129 18.950 1.00 0.00 O ATOM 700 CB GLU A 45 60.615 -1.269 21.135 1.00 0.00 C ATOM 701 CG GLU A 45 60.605 -2.060 22.426 1.00 0.00 C ATOM 702 CD GLU A 45 59.621 -1.445 23.416 1.00 0.00 C ATOM 703 OE1 GLU A 45 58.968 -2.200 24.118 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.534 -0.229 23.457 1.00 0.00 O ATOM 0 H GLU A 45 62.725 -2.520 21.647 1.00 0.00 H new ATOM 0 HA GLU A 45 60.828 -2.928 19.791 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.067 -0.290 21.296 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.595 -1.096 20.790 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.329 -3.095 22.224 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.605 -2.075 22.859 1.00 0.00 H new ATOM 711 N ALA A 46 61.085 -1.582 17.726 1.00 0.00 N ATOM 712 CA ALA A 46 61.238 -0.819 16.492 1.00 0.00 C ATOM 713 C ALA A 46 60.676 0.589 16.660 1.00 0.00 C ATOM 714 O ALA A 46 60.738 1.406 15.742 1.00 0.00 O ATOM 715 CB ALA A 46 60.511 -1.527 15.347 1.00 0.00 C ATOM 0 H ALA A 46 60.536 -2.436 17.633 1.00 0.00 H new ATOM 0 HA ALA A 46 62.301 -0.749 16.259 1.00 0.00 H new ATOM 0 HB1 ALA A 46 60.630 -0.951 14.429 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.933 -2.522 15.208 1.00 0.00 H new ATOM 0 HB3 ALA A 46 59.451 -1.613 15.587 1.00 0.00 H new ATOM 721 N ASN A 47 60.128 0.865 17.839 1.00 0.00 N ATOM 722 CA ASN A 47 59.558 2.179 18.116 1.00 0.00 C ATOM 723 C ASN A 47 60.403 2.924 19.145 1.00 0.00 C ATOM 724 O ASN A 47 59.872 3.572 20.046 1.00 0.00 O ATOM 725 CB ASN A 47 58.129 2.027 18.642 1.00 0.00 C ATOM 726 CG ASN A 47 58.131 1.211 19.929 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.113 1.221 20.671 1.00 0.00 O ATOM 728 ND2 ASN A 47 57.082 0.500 20.241 1.00 0.00 N ATOM 0 H ASN A 47 60.066 0.203 18.612 1.00 0.00 H new ATOM 0 HA ASN A 47 59.546 2.752 17.189 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.694 3.009 18.825 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.507 1.538 17.892 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.075 -0.049 21.101 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.269 0.493 19.625 1.00 0.00 H new ATOM 735 N SER A 48 61.721 2.825 19.003 1.00 0.00 N ATOM 736 CA SER A 48 62.631 3.494 19.926 1.00 0.00 C ATOM 737 C SER A 48 64.001 3.686 19.283 1.00 0.00 C ATOM 738 O SER A 48 64.608 2.732 18.795 1.00 0.00 O ATOM 739 CB SER A 48 62.776 2.669 21.204 1.00 0.00 C ATOM 740 OG SER A 48 62.505 1.304 20.916 1.00 0.00 O ATOM 0 H SER A 48 62.180 2.293 18.264 1.00 0.00 H new ATOM 0 HA SER A 48 62.217 4.472 20.170 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.784 2.774 21.606 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.089 3.035 21.967 1.00 0.00 H new ATOM 0 HG SER A 48 62.792 1.099 20.001 1.00 0.00 H new ATOM 746 N VAL A 49 64.483 4.924 19.288 1.00 0.00 N ATOM 747 CA VAL A 49 65.783 5.229 18.704 1.00 0.00 C ATOM 748 C VAL A 49 66.899 4.551 19.493 1.00 0.00 C ATOM 749 O VAL A 49 67.901 4.119 18.926 1.00 0.00 O ATOM 750 CB VAL A 49 66.010 6.742 18.693 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.211 7.371 17.550 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.546 7.335 20.026 1.00 0.00 C ATOM 0 H VAL A 49 63.997 5.727 19.687 1.00 0.00 H new ATOM 0 HA VAL A 49 65.797 4.852 17.681 1.00 0.00 H new ATOM 0 HB VAL A 49 67.071 6.949 18.551 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.373 8.449 17.543 1.00 0.00 H new ATOM 0 HG12 VAL A 49 65.540 6.948 16.601 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.150 7.165 17.691 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.707 8.413 20.020 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.485 7.127 20.167 1.00 0.00 H new ATOM 0 HG23 VAL A 49 66.115 6.888 20.841 1.00 0.00 H new ATOM 762 N ILE A 50 66.716 4.463 20.807 1.00 0.00 N ATOM 763 CA ILE A 50 67.713 3.835 21.666 1.00 0.00 C ATOM 764 C ILE A 50 67.858 2.355 21.327 1.00 0.00 C ATOM 765 O ILE A 50 68.950 1.793 21.405 1.00 0.00 O ATOM 766 CB ILE A 50 67.308 3.986 23.134 1.00 0.00 C ATOM 767 CG1 ILE A 50 67.386 5.462 23.532 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.258 3.172 24.013 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.630 5.677 24.845 1.00 0.00 C ATOM 0 H ILE A 50 65.894 4.816 21.297 1.00 0.00 H new ATOM 0 HA ILE A 50 68.670 4.330 21.500 1.00 0.00 H new ATOM 0 HB ILE A 50 66.289 3.624 23.269 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.427 5.764 23.646 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.957 6.085 22.747 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.969 3.280 25.058 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.206 2.121 23.729 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.277 3.534 23.879 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.685 6.728 25.129 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.586 5.391 24.715 1.00 0.00 H new ATOM 0 HD13 ILE A 50 67.079 5.066 25.628 1.00 0.00 H new ATOM 781 N ALA A 51 66.747 1.728 20.951 1.00 0.00 N ATOM 782 CA ALA A 51 66.761 0.312 20.603 1.00 0.00 C ATOM 783 C ALA A 51 67.593 0.078 19.346 1.00 0.00 C ATOM 784 O ALA A 51 68.406 -0.845 19.290 1.00 0.00 O ATOM 785 CB ALA A 51 65.333 -0.184 20.372 1.00 0.00 C ATOM 0 H ALA A 51 65.833 2.174 20.880 1.00 0.00 H new ATOM 0 HA ALA A 51 67.207 -0.241 21.429 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.353 -1.242 20.113 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.748 -0.044 21.281 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.879 0.381 19.558 1.00 0.00 H new ATOM 791 N LEU A 52 67.385 0.920 18.338 1.00 0.00 N ATOM 792 CA LEU A 52 68.121 0.794 17.086 1.00 0.00 C ATOM 793 C LEU A 52 69.622 0.902 17.334 1.00 0.00 C ATOM 794 O LEU A 52 70.418 0.222 16.686 1.00 0.00 O ATOM 795 CB LEU A 52 67.683 1.888 16.111 1.00 0.00 C ATOM 796 CG LEU A 52 66.709 1.301 15.088 1.00 0.00 C ATOM 797 CD1 LEU A 52 65.581 0.569 15.818 1.00 0.00 C ATOM 798 CD2 LEU A 52 66.117 2.431 14.243 1.00 0.00 C ATOM 0 H LEU A 52 66.718 1.691 18.363 1.00 0.00 H new ATOM 0 HA LEU A 52 67.905 -0.184 16.656 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.208 2.705 16.654 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.552 2.306 15.603 1.00 0.00 H new ATOM 0 HG LEU A 52 67.239 0.601 14.442 1.00 0.00 H new ATOM 0 HD11 LEU A 52 64.887 0.151 15.089 1.00 0.00 H new ATOM 0 HD12 LEU A 52 66.001 -0.235 16.422 1.00 0.00 H new ATOM 0 HD13 LEU A 52 65.051 1.269 16.463 1.00 0.00 H new ATOM 0 HD21 LEU A 52 65.423 2.014 13.513 1.00 0.00 H new ATOM 0 HD22 LEU A 52 65.587 3.130 14.890 1.00 0.00 H new ATOM 0 HD23 LEU A 52 66.919 2.955 13.723 1.00 0.00 H new ATOM 810 N LEU A 53 70.002 1.760 18.275 1.00 0.00 N ATOM 811 CA LEU A 53 71.410 1.948 18.601 1.00 0.00 C ATOM 812 C LEU A 53 71.977 0.699 19.269 1.00 0.00 C ATOM 813 O LEU A 53 73.134 0.338 19.052 1.00 0.00 O ATOM 814 CB LEU A 53 71.576 3.148 19.535 1.00 0.00 C ATOM 815 CG LEU A 53 72.193 4.315 18.764 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.227 5.556 19.656 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.618 3.950 18.345 1.00 0.00 C ATOM 0 H LEU A 53 69.359 2.333 18.822 1.00 0.00 H new ATOM 0 HA LEU A 53 71.955 2.131 17.675 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.609 3.440 19.944 1.00 0.00 H new ATOM 0 HB3 LEU A 53 72.211 2.880 20.379 1.00 0.00 H new ATOM 0 HG LEU A 53 71.594 4.522 17.877 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.667 6.388 19.106 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.212 5.816 19.956 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.826 5.350 20.543 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.060 4.781 17.795 1.00 0.00 H new ATOM 0 HD22 LEU A 53 74.216 3.743 19.232 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.595 3.065 17.709 1.00 0.00 H new ATOM 829 N MET A 54 71.154 0.044 20.080 1.00 0.00 N ATOM 830 CA MET A 54 71.585 -1.164 20.776 1.00 0.00 C ATOM 831 C MET A 54 71.851 -2.289 19.780 1.00 0.00 C ATOM 832 O MET A 54 72.786 -3.071 19.948 1.00 0.00 O ATOM 833 CB MET A 54 70.510 -1.605 21.771 1.00 0.00 C ATOM 834 CG MET A 54 70.837 -1.047 23.156 1.00 0.00 C ATOM 835 SD MET A 54 70.909 0.761 23.078 1.00 0.00 S ATOM 836 CE MET A 54 71.440 1.040 24.785 1.00 0.00 C ATOM 0 H MET A 54 70.192 0.325 20.271 1.00 0.00 H new ATOM 0 HA MET A 54 72.508 -0.943 21.313 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.532 -1.251 21.446 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.459 -2.693 21.809 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.079 -1.361 23.874 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.790 -1.445 23.504 1.00 0.00 H new ATOM 0 HE1 MET A 54 71.550 2.110 24.962 1.00 0.00 H new ATOM 0 HE2 MET A 54 70.695 0.634 25.469 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.396 0.544 24.954 1.00 0.00 H new ATOM 846 N LEU A 55 71.023 -2.364 18.744 1.00 0.00 N ATOM 847 CA LEU A 55 71.177 -3.398 17.727 1.00 0.00 C ATOM 848 C LEU A 55 72.492 -3.218 16.975 1.00 0.00 C ATOM 849 O LEU A 55 73.024 -4.168 16.401 1.00 0.00 O ATOM 850 CB LEU A 55 70.011 -3.338 16.740 1.00 0.00 C ATOM 851 CG LEU A 55 68.701 -3.624 17.478 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.524 -3.446 16.518 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.717 -5.061 18.004 1.00 0.00 C ATOM 0 H LEU A 55 70.243 -1.726 18.586 1.00 0.00 H new ATOM 0 HA LEU A 55 71.184 -4.369 18.222 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.969 -2.355 16.270 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.158 -4.067 15.943 1.00 0.00 H new ATOM 0 HG LEU A 55 68.596 -2.931 18.313 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.591 -3.650 17.044 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.513 -2.423 16.142 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.628 -4.138 15.683 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.785 -5.266 18.530 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.822 -5.753 17.169 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.555 -5.189 18.689 1.00 0.00 H new ATOM 865 N ASP A 56 73.011 -1.995 16.983 1.00 0.00 N ATOM 866 CA ASP A 56 74.264 -1.703 16.299 1.00 0.00 C ATOM 867 C ASP A 56 75.366 -2.645 16.772 1.00 0.00 C ATOM 868 O ASP A 56 76.216 -3.066 15.987 1.00 0.00 O ATOM 869 CB ASP A 56 74.680 -0.255 16.564 1.00 0.00 C ATOM 870 CG ASP A 56 75.931 0.084 15.761 1.00 0.00 C ATOM 871 OD1 ASP A 56 76.528 -0.830 15.218 1.00 0.00 O ATOM 872 OD2 ASP A 56 76.272 1.255 15.699 1.00 0.00 O ATOM 0 H ASP A 56 72.586 -1.195 17.452 1.00 0.00 H new ATOM 0 HA ASP A 56 74.113 -1.847 15.229 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.869 0.421 16.292 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.871 -0.112 17.628 1.00 0.00 H new ATOM 877 N SER A 57 75.345 -2.973 18.059 1.00 0.00 N ATOM 878 CA SER A 57 76.347 -3.867 18.628 1.00 0.00 C ATOM 879 C SER A 57 76.021 -5.319 18.291 1.00 0.00 C ATOM 880 O SER A 57 76.729 -6.237 18.708 1.00 0.00 O ATOM 881 CB SER A 57 76.403 -3.693 20.145 1.00 0.00 C ATOM 882 OG SER A 57 76.823 -2.370 20.450 1.00 0.00 O ATOM 0 H SER A 57 74.650 -2.636 18.725 1.00 0.00 H new ATOM 0 HA SER A 57 77.317 -3.615 18.199 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.423 -3.886 20.581 1.00 0.00 H new ATOM 0 HB3 SER A 57 77.093 -4.416 20.580 1.00 0.00 H new ATOM 0 HG SER A 57 76.858 -2.254 21.422 1.00 0.00 H new ATOM 888 N ALA A 58 74.946 -5.520 17.537 1.00 0.00 N ATOM 889 CA ALA A 58 74.537 -6.865 17.151 1.00 0.00 C ATOM 890 C ALA A 58 75.205 -7.276 15.844 1.00 0.00 C ATOM 891 O ALA A 58 74.649 -8.051 15.067 1.00 0.00 O ATOM 892 CB ALA A 58 73.017 -6.921 16.988 1.00 0.00 C ATOM 0 H ALA A 58 74.346 -4.775 17.183 1.00 0.00 H new ATOM 0 HA ALA A 58 74.845 -7.556 17.935 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.719 -7.929 16.700 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.540 -6.658 17.932 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.708 -6.216 16.216 1.00 0.00 H new ATOM 898 N LYS A 59 76.404 -6.750 15.608 1.00 0.00 N ATOM 899 CA LYS A 59 77.140 -7.070 14.391 1.00 0.00 C ATOM 900 C LYS A 59 77.673 -8.498 14.446 1.00 0.00 C ATOM 901 O LYS A 59 78.728 -8.755 15.024 1.00 0.00 O ATOM 902 CB LYS A 59 78.306 -6.094 14.215 1.00 0.00 C ATOM 903 CG LYS A 59 79.011 -6.375 12.886 1.00 0.00 C ATOM 904 CD LYS A 59 80.144 -5.367 12.685 1.00 0.00 C ATOM 905 CE LYS A 59 80.872 -5.670 11.375 1.00 0.00 C ATOM 906 NZ LYS A 59 79.924 -5.516 10.234 1.00 0.00 N ATOM 0 H LYS A 59 76.882 -6.106 16.238 1.00 0.00 H new ATOM 0 HA LYS A 59 76.460 -6.981 13.544 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.941 -5.067 14.235 1.00 0.00 H new ATOM 0 HB3 LYS A 59 79.009 -6.198 15.041 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.408 -7.390 12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.299 -6.307 12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.744 -4.353 12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.842 -5.417 13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.719 -4.995 11.252 1.00 0.00 H new ATOM 0 HE3 LYS A 59 81.273 -6.683 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 80.460 -5.384 9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 79.333 -6.368 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 79.316 -4.688 10.397 1.00 0.00 H new ATOM 920 N GLY A 60 76.935 -9.424 13.840 1.00 0.00 N ATOM 921 CA GLY A 60 77.344 -10.823 13.827 1.00 0.00 C ATOM 922 C GLY A 60 76.531 -11.637 14.827 1.00 0.00 C ATOM 923 O GLY A 60 76.827 -12.805 15.077 1.00 0.00 O ATOM 0 H GLY A 60 76.058 -9.232 13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.214 -11.235 12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.404 -10.898 14.068 1.00 0.00 H new ATOM 927 N ARG A 61 75.506 -11.013 15.397 1.00 0.00 N ATOM 928 CA ARG A 61 74.656 -11.689 16.370 1.00 0.00 C ATOM 929 C ARG A 61 73.315 -12.059 15.745 1.00 0.00 C ATOM 930 O ARG A 61 73.049 -11.738 14.586 1.00 0.00 O ATOM 931 CB ARG A 61 74.425 -10.784 17.581 1.00 0.00 C ATOM 932 CG ARG A 61 75.748 -10.137 17.996 1.00 0.00 C ATOM 933 CD ARG A 61 76.766 -11.227 18.333 1.00 0.00 C ATOM 934 NE ARG A 61 76.123 -12.307 19.072 1.00 0.00 N ATOM 935 CZ ARG A 61 75.939 -12.226 20.386 1.00 0.00 C ATOM 936 NH1 ARG A 61 75.361 -13.205 21.025 1.00 0.00 N ATOM 937 NH2 ARG A 61 76.336 -11.167 21.037 1.00 0.00 N ATOM 0 H ARG A 61 75.245 -10.046 15.204 1.00 0.00 H new ATOM 0 HA ARG A 61 75.158 -12.602 16.690 1.00 0.00 H new ATOM 0 HB2 ARG A 61 73.692 -10.014 17.338 1.00 0.00 H new ATOM 0 HB3 ARG A 61 74.016 -11.364 18.409 1.00 0.00 H new ATOM 0 HG2 ARG A 61 76.126 -9.508 17.190 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.593 -9.490 18.859 1.00 0.00 H new ATOM 0 HD2 ARG A 61 77.208 -11.617 17.416 1.00 0.00 H new ATOM 0 HD3 ARG A 61 77.578 -10.805 18.925 1.00 0.00 H new ATOM 0 HE ARG A 61 75.809 -13.139 18.572 1.00 0.00 H new ATOM 0 HH11 ARG A 61 75.050 -14.033 20.516 1.00 0.00 H new ATOM 0 HH12 ARG A 61 75.220 -13.143 22.033 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.788 -10.401 20.538 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.195 -11.105 22.045 1.00 0.00 H new ATOM 951 N GLN A 62 72.474 -12.736 16.520 1.00 0.00 N ATOM 952 CA GLN A 62 71.161 -13.145 16.032 1.00 0.00 C ATOM 953 C GLN A 62 70.059 -12.364 16.741 1.00 0.00 C ATOM 954 O GLN A 62 70.184 -12.022 17.916 1.00 0.00 O ATOM 955 CB GLN A 62 70.960 -14.643 16.266 1.00 0.00 C ATOM 956 CG GLN A 62 71.054 -14.943 17.763 1.00 0.00 C ATOM 957 CD GLN A 62 71.001 -16.449 17.997 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.073 -17.117 17.541 1.00 0.00 O ATOM 959 NE2 GLN A 62 71.949 -17.026 18.684 1.00 0.00 N ATOM 0 H GLN A 62 72.675 -13.012 17.481 1.00 0.00 H new ATOM 0 HA GLN A 62 71.109 -12.935 14.964 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.989 -14.955 15.882 1.00 0.00 H new ATOM 0 HB3 GLN A 62 71.715 -15.211 15.722 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.981 -14.536 18.166 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.235 -14.455 18.292 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.717 -16.470 19.061 1.00 0.00 H new ATOM 0 HE22 GLN A 62 71.922 -18.033 18.844 1.00 0.00 H new ATOM 968 N ILE A 63 68.980 -12.085 16.017 1.00 0.00 N ATOM 969 CA ILE A 63 67.860 -11.344 16.588 1.00 0.00 C ATOM 970 C ILE A 63 66.537 -12.014 16.231 1.00 0.00 C ATOM 971 O ILE A 63 66.464 -12.802 15.289 1.00 0.00 O ATOM 972 CB ILE A 63 67.864 -9.907 16.064 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.640 -9.917 14.550 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.212 -9.254 16.374 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.690 -8.483 14.017 1.00 0.00 C ATOM 0 H ILE A 63 68.857 -12.358 15.042 1.00 0.00 H new ATOM 0 HA ILE A 63 67.969 -11.336 17.673 1.00 0.00 H new ATOM 0 HB ILE A 63 67.067 -9.342 16.547 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.403 -10.524 14.063 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.676 -10.369 14.317 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.215 -8.230 16.001 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.374 -9.248 17.452 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.009 -9.819 15.891 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.531 -8.490 12.939 1.00 0.00 H new ATOM 0 HD12 ILE A 63 66.911 -7.890 14.495 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.664 -8.047 14.237 1.00 0.00 H new ATOM 987 N GLU A 64 65.494 -11.695 16.990 1.00 0.00 N ATOM 988 CA GLU A 64 64.178 -12.272 16.745 1.00 0.00 C ATOM 989 C GLU A 64 63.159 -11.178 16.447 1.00 0.00 C ATOM 990 O GLU A 64 62.651 -10.525 17.359 1.00 0.00 O ATOM 991 CB GLU A 64 63.724 -13.077 17.965 1.00 0.00 C ATOM 992 CG GLU A 64 64.944 -13.695 18.651 1.00 0.00 C ATOM 993 CD GLU A 64 64.496 -14.595 19.799 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.301 -14.803 19.930 1.00 0.00 O ATOM 995 OE2 GLU A 64 65.355 -15.062 20.528 1.00 0.00 O ATOM 0 H GLU A 64 65.534 -11.045 17.775 1.00 0.00 H new ATOM 0 HA GLU A 64 64.248 -12.932 15.880 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.190 -12.431 18.662 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.030 -13.860 17.660 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.524 -14.272 17.930 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.597 -12.908 19.028 1.00 0.00 H new ATOM 1002 N VAL A 65 62.864 -10.983 15.166 1.00 0.00 N ATOM 1003 CA VAL A 65 61.903 -9.963 14.761 1.00 0.00 C ATOM 1004 C VAL A 65 60.477 -10.483 14.904 1.00 0.00 C ATOM 1005 O VAL A 65 60.144 -11.557 14.402 1.00 0.00 O ATOM 1006 CB VAL A 65 62.156 -9.556 13.308 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.235 -8.393 12.935 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.614 -9.122 13.148 1.00 0.00 C ATOM 0 H VAL A 65 63.272 -11.513 14.396 1.00 0.00 H new ATOM 0 HA VAL A 65 62.028 -9.095 15.409 1.00 0.00 H new ATOM 0 HB VAL A 65 61.954 -10.403 12.653 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.416 -8.103 11.900 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.196 -8.701 13.050 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.437 -7.545 13.589 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.796 -8.832 12.113 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.815 -8.275 13.803 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.271 -9.950 13.413 1.00 0.00 H new ATOM 1018 N GLU A 66 59.638 -9.716 15.592 1.00 0.00 N ATOM 1019 CA GLU A 66 58.249 -10.111 15.796 1.00 0.00 C ATOM 1020 C GLU A 66 57.303 -9.056 15.227 1.00 0.00 C ATOM 1021 O GLU A 66 57.513 -7.857 15.409 1.00 0.00 O ATOM 1022 CB GLU A 66 57.972 -10.294 17.288 1.00 0.00 C ATOM 1023 CG GLU A 66 56.482 -10.569 17.502 1.00 0.00 C ATOM 1024 CD GLU A 66 56.241 -11.068 18.923 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.623 -12.190 19.209 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.680 -10.319 19.705 1.00 0.00 O ATOM 0 H GLU A 66 59.893 -8.824 16.015 1.00 0.00 H new ATOM 0 HA GLU A 66 58.079 -11.054 15.277 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.565 -11.120 17.680 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.270 -9.400 17.836 1.00 0.00 H new ATOM 0 HG2 GLU A 66 55.907 -9.660 17.325 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.134 -11.311 16.784 1.00 0.00 H new ATOM 1033 N ALA A 67 56.262 -9.512 14.539 1.00 0.00 N ATOM 1034 CA ALA A 67 55.291 -8.600 13.947 1.00 0.00 C ATOM 1035 C ALA A 67 53.870 -9.082 14.217 1.00 0.00 C ATOM 1036 O ALA A 67 53.557 -10.259 14.035 1.00 0.00 O ATOM 1037 CB ALA A 67 55.519 -8.499 12.438 1.00 0.00 C ATOM 0 H ALA A 67 56.070 -10.501 14.378 1.00 0.00 H new ATOM 0 HA ALA A 67 55.422 -7.617 14.400 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.789 -7.816 12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.525 -8.125 12.246 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.406 -9.485 11.986 1.00 0.00 H new ATOM 1043 N THR A 68 53.011 -8.165 14.652 1.00 0.00 N ATOM 1044 CA THR A 68 51.624 -8.508 14.945 1.00 0.00 C ATOM 1045 C THR A 68 50.674 -7.552 14.232 1.00 0.00 C ATOM 1046 O THR A 68 50.828 -6.333 14.313 1.00 0.00 O ATOM 1047 CB THR A 68 51.377 -8.447 16.454 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.340 -9.250 17.122 1.00 0.00 O ATOM 1049 CG2 THR A 68 49.973 -8.966 16.765 1.00 0.00 C ATOM 0 H THR A 68 53.249 -7.186 14.808 1.00 0.00 H new ATOM 0 HA THR A 68 51.437 -9.521 14.588 1.00 0.00 H new ATOM 0 HB THR A 68 51.463 -7.415 16.795 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.185 -9.211 18.089 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.799 -8.922 17.840 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.235 -8.349 16.252 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.883 -9.998 16.425 1.00 0.00 H new ATOM 1057 N GLY A 69 49.692 -8.113 13.534 1.00 0.00 N ATOM 1058 CA GLY A 69 48.721 -7.299 12.811 1.00 0.00 C ATOM 1059 C GLY A 69 48.361 -7.940 11.476 1.00 0.00 C ATOM 1060 O GLY A 69 49.028 -8.868 11.019 1.00 0.00 O ATOM 0 H GLY A 69 49.548 -9.120 13.454 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.822 -7.177 13.415 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.129 -6.303 12.642 1.00 0.00 H new ATOM 1064 N PRO A 70 47.322 -7.458 10.848 1.00 0.00 N ATOM 1065 CA PRO A 70 46.855 -7.986 9.535 1.00 0.00 C ATOM 1066 C PRO A 70 48.000 -8.142 8.537 1.00 0.00 C ATOM 1067 O PRO A 70 48.090 -9.148 7.834 1.00 0.00 O ATOM 1068 CB PRO A 70 45.854 -6.934 9.056 1.00 0.00 C ATOM 1069 CG PRO A 70 45.354 -6.267 10.296 1.00 0.00 C ATOM 1070 CD PRO A 70 46.478 -6.354 11.329 1.00 0.00 C ATOM 0 HA PRO A 70 46.422 -8.982 9.626 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.329 -6.216 8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 70 45.037 -7.394 8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.092 -5.228 10.097 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.453 -6.759 10.663 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.038 -5.421 11.388 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.088 -6.556 12.327 1.00 0.00 H new ATOM 1078 N GLN A 71 48.873 -7.142 8.484 1.00 0.00 N ATOM 1079 CA GLN A 71 50.008 -7.179 7.569 1.00 0.00 C ATOM 1080 C GLN A 71 51.287 -7.540 8.316 1.00 0.00 C ATOM 1081 O GLN A 71 52.388 -7.203 7.883 1.00 0.00 O ATOM 1082 CB GLN A 71 50.178 -5.818 6.892 1.00 0.00 C ATOM 1083 CG GLN A 71 48.991 -5.557 5.962 1.00 0.00 C ATOM 1084 CD GLN A 71 49.123 -4.180 5.321 1.00 0.00 C ATOM 1085 OE1 GLN A 71 50.180 -3.842 4.788 1.00 0.00 O ATOM 1086 NE2 GLN A 71 48.109 -3.360 5.342 1.00 0.00 N ATOM 0 H GLN A 71 48.818 -6.302 9.059 1.00 0.00 H new ATOM 0 HA GLN A 71 49.815 -7.940 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.244 -5.032 7.644 1.00 0.00 H new ATOM 0 HB3 GLN A 71 51.109 -5.796 6.325 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.949 -6.324 5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 71 48.059 -5.618 6.523 1.00 0.00 H new ATOM 0 HE21 GLN A 71 47.234 -3.642 5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 71 48.191 -2.437 4.916 1.00 0.00 H new ATOM 1095 N GLU A 72 51.133 -8.230 9.443 1.00 0.00 N ATOM 1096 CA GLU A 72 52.284 -8.633 10.244 1.00 0.00 C ATOM 1097 C GLU A 72 53.299 -9.379 9.385 1.00 0.00 C ATOM 1098 O GLU A 72 54.506 -9.180 9.520 1.00 0.00 O ATOM 1099 CB GLU A 72 51.829 -9.530 11.396 1.00 0.00 C ATOM 1100 CG GLU A 72 51.315 -10.858 10.836 1.00 0.00 C ATOM 1101 CD GLU A 72 50.689 -11.687 11.952 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.047 -11.468 13.098 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.860 -12.527 11.645 1.00 0.00 O ATOM 0 H GLU A 72 50.230 -8.520 9.819 1.00 0.00 H new ATOM 0 HA GLU A 72 52.756 -7.737 10.647 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.658 -9.708 12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.043 -9.036 11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.579 -10.672 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 72 52.135 -11.411 10.377 1.00 0.00 H new ATOM 1110 N GLU A 73 52.802 -10.239 8.502 1.00 0.00 N ATOM 1111 CA GLU A 73 53.676 -11.011 7.626 1.00 0.00 C ATOM 1112 C GLU A 73 54.412 -10.092 6.657 1.00 0.00 C ATOM 1113 O GLU A 73 55.623 -10.214 6.469 1.00 0.00 O ATOM 1114 CB GLU A 73 52.854 -12.032 6.837 1.00 0.00 C ATOM 1115 CG GLU A 73 52.115 -12.953 7.810 1.00 0.00 C ATOM 1116 CD GLU A 73 51.457 -14.097 7.048 1.00 0.00 C ATOM 1117 OE1 GLU A 73 51.435 -14.035 5.830 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.984 -15.019 7.692 1.00 0.00 O ATOM 0 H GLU A 73 51.806 -10.418 8.374 1.00 0.00 H new ATOM 0 HA GLU A 73 54.409 -11.532 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 73 52.141 -11.520 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 73 53.506 -12.618 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.812 -13.350 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.360 -12.388 8.356 1.00 0.00 H new ATOM 1125 N GLU A 74 53.675 -9.172 6.045 1.00 0.00 N ATOM 1126 CA GLU A 74 54.269 -8.237 5.096 1.00 0.00 C ATOM 1127 C GLU A 74 55.407 -7.460 5.751 1.00 0.00 C ATOM 1128 O GLU A 74 56.503 -7.365 5.200 1.00 0.00 O ATOM 1129 CB GLU A 74 53.206 -7.261 4.589 1.00 0.00 C ATOM 1130 CG GLU A 74 52.188 -8.013 3.731 1.00 0.00 C ATOM 1131 CD GLU A 74 51.219 -7.029 3.087 1.00 0.00 C ATOM 1132 OE1 GLU A 74 51.368 -5.841 3.323 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.341 -7.476 2.367 1.00 0.00 O ATOM 0 H GLU A 74 52.672 -9.053 6.187 1.00 0.00 H new ATOM 0 HA GLU A 74 54.669 -8.805 4.256 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.705 -6.783 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 74 53.674 -6.468 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 74 52.703 -8.586 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 74 51.639 -8.727 4.345 1.00 0.00 H new ATOM 1140 N ALA A 75 55.138 -6.906 6.928 1.00 0.00 N ATOM 1141 CA ALA A 75 56.148 -6.139 7.648 1.00 0.00 C ATOM 1142 C ALA A 75 57.411 -6.971 7.849 1.00 0.00 C ATOM 1143 O ALA A 75 58.522 -6.499 7.608 1.00 0.00 O ATOM 1144 CB ALA A 75 55.601 -5.703 9.009 1.00 0.00 C ATOM 0 H ALA A 75 54.237 -6.973 7.401 1.00 0.00 H new ATOM 0 HA ALA A 75 56.397 -5.258 7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 75 56.361 -5.131 9.540 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.716 -5.083 8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 75 55.335 -6.584 9.594 1.00 0.00 H new ATOM 1150 N LEU A 76 57.232 -8.212 8.289 1.00 0.00 N ATOM 1151 CA LEU A 76 58.365 -9.101 8.518 1.00 0.00 C ATOM 1152 C LEU A 76 59.070 -9.419 7.205 1.00 0.00 C ATOM 1153 O LEU A 76 60.300 -9.417 7.132 1.00 0.00 O ATOM 1154 CB LEU A 76 57.886 -10.401 9.170 1.00 0.00 C ATOM 1155 CG LEU A 76 58.394 -10.467 10.611 1.00 0.00 C ATOM 1156 CD1 LEU A 76 57.717 -11.630 11.338 1.00 0.00 C ATOM 1157 CD2 LEU A 76 59.909 -10.683 10.607 1.00 0.00 C ATOM 0 H LEU A 76 56.321 -8.623 8.493 1.00 0.00 H new ATOM 0 HA LEU A 76 59.068 -8.599 9.183 1.00 0.00 H new ATOM 0 HB2 LEU A 76 56.797 -10.448 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 76 58.250 -11.259 8.605 1.00 0.00 H new ATOM 0 HG LEU A 76 58.160 -9.533 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 76 58.079 -11.677 12.365 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.638 -11.479 11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 76 57.951 -12.564 10.827 1.00 0.00 H new ATOM 0 HD21 LEU A 76 60.273 -10.730 11.634 1.00 0.00 H new ATOM 0 HD22 LEU A 76 60.142 -11.617 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 76 60.393 -9.855 10.088 1.00 0.00 H new ATOM 1169 N ALA A 77 58.285 -9.692 6.168 1.00 0.00 N ATOM 1170 CA ALA A 77 58.846 -10.011 4.860 1.00 0.00 C ATOM 1171 C ALA A 77 59.690 -8.850 4.342 1.00 0.00 C ATOM 1172 O ALA A 77 60.779 -9.052 3.806 1.00 0.00 O ATOM 1173 CB ALA A 77 57.721 -10.309 3.868 1.00 0.00 C ATOM 0 H ALA A 77 57.266 -9.699 6.207 1.00 0.00 H new ATOM 0 HA ALA A 77 59.482 -10.890 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.148 -10.546 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.137 -11.157 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.075 -9.436 3.778 1.00 0.00 H new ATOM 1179 N ALA A 78 59.178 -7.634 4.506 1.00 0.00 N ATOM 1180 CA ALA A 78 59.894 -6.448 4.052 1.00 0.00 C ATOM 1181 C ALA A 78 61.216 -6.301 4.799 1.00 0.00 C ATOM 1182 O ALA A 78 62.248 -5.999 4.201 1.00 0.00 O ATOM 1183 CB ALA A 78 59.035 -5.201 4.279 1.00 0.00 C ATOM 0 H ALA A 78 58.277 -7.445 4.946 1.00 0.00 H new ATOM 0 HA ALA A 78 60.102 -6.557 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.577 -4.319 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.104 -5.294 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.812 -5.101 5.341 1.00 0.00 H new ATOM 1189 N VAL A 79 61.176 -6.516 6.110 1.00 0.00 N ATOM 1190 CA VAL A 79 62.377 -6.404 6.929 1.00 0.00 C ATOM 1191 C VAL A 79 63.360 -7.520 6.591 1.00 0.00 C ATOM 1192 O VAL A 79 64.561 -7.285 6.458 1.00 0.00 O ATOM 1193 CB VAL A 79 62.008 -6.478 8.411 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.273 -6.342 9.261 1.00 0.00 C ATOM 1195 CG2 VAL A 79 61.041 -5.340 8.751 1.00 0.00 C ATOM 0 H VAL A 79 60.332 -6.767 6.625 1.00 0.00 H new ATOM 0 HA VAL A 79 62.848 -5.444 6.721 1.00 0.00 H new ATOM 0 HB VAL A 79 61.533 -7.436 8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 79 63.009 -6.395 10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.963 -7.150 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.749 -5.384 9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.776 -5.391 9.807 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.518 -4.382 8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.139 -5.436 8.146 1.00 0.00 H new ATOM 1205 N ILE A 80 62.842 -8.737 6.454 1.00 0.00 N ATOM 1206 CA ILE A 80 63.684 -9.883 6.131 1.00 0.00 C ATOM 1207 C ILE A 80 64.304 -9.718 4.748 1.00 0.00 C ATOM 1208 O ILE A 80 65.482 -10.013 4.545 1.00 0.00 O ATOM 1209 CB ILE A 80 62.855 -11.168 6.171 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.569 -11.544 7.627 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.634 -12.299 5.498 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.546 -12.680 7.670 1.00 0.00 C ATOM 0 H ILE A 80 61.851 -8.954 6.561 1.00 0.00 H new ATOM 0 HA ILE A 80 64.483 -9.944 6.870 1.00 0.00 H new ATOM 0 HB ILE A 80 61.914 -11.010 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.490 -11.851 8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 80 62.189 -10.678 8.169 1.00 0.00 H new ATOM 0 HG21 ILE A 80 63.043 -13.215 5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.840 -12.032 4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.574 -12.457 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.343 -12.947 8.707 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.622 -12.356 7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.943 -13.547 7.143 1.00 0.00 H new ATOM 1224 N ALA A 81 63.504 -9.245 3.799 1.00 0.00 N ATOM 1225 CA ALA A 81 63.986 -9.043 2.437 1.00 0.00 C ATOM 1226 C ALA A 81 65.085 -7.987 2.411 1.00 0.00 C ATOM 1227 O ALA A 81 66.029 -8.079 1.624 1.00 0.00 O ATOM 1228 CB ALA A 81 62.831 -8.604 1.534 1.00 0.00 C ATOM 0 H ALA A 81 62.526 -8.996 3.945 1.00 0.00 H new ATOM 0 HA ALA A 81 64.394 -9.985 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.199 -8.455 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 81 62.059 -9.373 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.411 -7.670 1.908 1.00 0.00 H new ATOM 1234 N LEU A 82 64.958 -6.985 3.274 1.00 0.00 N ATOM 1235 CA LEU A 82 65.948 -5.917 3.341 1.00 0.00 C ATOM 1236 C LEU A 82 67.224 -6.412 4.013 1.00 0.00 C ATOM 1237 O LEU A 82 68.330 -6.055 3.608 1.00 0.00 O ATOM 1238 CB LEU A 82 65.384 -4.730 4.125 1.00 0.00 C ATOM 1239 CG LEU A 82 64.753 -3.730 3.154 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.808 -2.802 3.920 1.00 0.00 C ATOM 1241 CD2 LEU A 82 65.855 -2.900 2.493 1.00 0.00 C ATOM 0 H LEU A 82 64.185 -6.890 3.933 1.00 0.00 H new ATOM 0 HA LEU A 82 66.184 -5.602 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 82 64.640 -5.075 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.177 -4.248 4.696 1.00 0.00 H new ATOM 0 HG LEU A 82 64.193 -4.269 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.358 -2.089 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.024 -3.392 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.368 -2.262 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 82 65.408 -2.187 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 82 66.413 -2.361 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 82 66.530 -3.560 1.948 1.00 0.00 H new ATOM 1253 N PHE A 83 67.063 -7.238 5.043 1.00 0.00 N ATOM 1254 CA PHE A 83 68.209 -7.778 5.764 1.00 0.00 C ATOM 1255 C PHE A 83 68.985 -8.751 4.883 1.00 0.00 C ATOM 1256 O PHE A 83 70.207 -8.862 4.989 1.00 0.00 O ATOM 1257 CB PHE A 83 67.737 -8.496 7.029 1.00 0.00 C ATOM 1258 CG PHE A 83 67.504 -7.484 8.126 1.00 0.00 C ATOM 1259 CD1 PHE A 83 66.893 -6.260 7.831 1.00 0.00 C ATOM 1260 CD2 PHE A 83 67.900 -7.771 9.438 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.678 -5.322 8.847 1.00 0.00 C ATOM 1262 CE2 PHE A 83 67.685 -6.833 10.454 1.00 0.00 C ATOM 1263 CZ PHE A 83 67.073 -5.608 10.159 1.00 0.00 C ATOM 0 H PHE A 83 66.156 -7.546 5.394 1.00 0.00 H new ATOM 0 HA PHE A 83 68.865 -6.952 6.039 1.00 0.00 H new ATOM 0 HB2 PHE A 83 66.818 -9.046 6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.482 -9.226 7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 83 66.587 -6.039 6.819 1.00 0.00 H new ATOM 0 HD2 PHE A 83 68.371 -8.716 9.666 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.207 -4.377 8.619 1.00 0.00 H new ATOM 0 HE2 PHE A 83 67.991 -7.054 11.466 1.00 0.00 H new ATOM 0 HZ PHE A 83 66.906 -4.885 10.943 1.00 0.00 H new