USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=6 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= -0.0351 X(o=-0.035,f=-0.035) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0773 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 -117:sc= -0.0047 (180deg=-0.338) USER MOD Single : A 28 GLN : amide:sc= -0.283 K(o=-0.28,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= -2.99! C(o=-3!,f=-12!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -2.14! C(o=-2.1!,f=-1.5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.49 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -57:sc= 1.04 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -6.04! C(o=-6!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 53.839 -13.216 14.268 1.00 0.00 N ATOM 35 CA VAL A 3 54.783 -13.914 13.402 1.00 0.00 C ATOM 36 C VAL A 3 56.216 -13.529 13.755 1.00 0.00 C ATOM 37 O VAL A 3 56.601 -12.365 13.646 1.00 0.00 O ATOM 38 CB VAL A 3 54.504 -13.567 11.939 1.00 0.00 C ATOM 39 CG1 VAL A 3 55.449 -14.364 11.037 1.00 0.00 C ATOM 40 CG2 VAL A 3 53.055 -13.922 11.599 1.00 0.00 C ATOM 0 HA VAL A 3 54.660 -14.987 13.549 1.00 0.00 H new ATOM 0 HB VAL A 3 54.664 -12.500 11.781 1.00 0.00 H new ATOM 0 HG11 VAL A 3 55.251 -14.117 9.994 1.00 0.00 H new ATOM 0 HG12 VAL A 3 56.482 -14.113 11.279 1.00 0.00 H new ATOM 0 HG13 VAL A 3 55.289 -15.431 11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.855 -13.675 10.556 1.00 0.00 H new ATOM 0 HG22 VAL A 3 52.895 -14.989 11.756 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.381 -13.355 12.242 1.00 0.00 H new ATOM 50 N LYS A 4 57.001 -14.515 14.178 1.00 0.00 N ATOM 51 CA LYS A 4 58.391 -14.266 14.545 1.00 0.00 C ATOM 52 C LYS A 4 59.335 -15.011 13.607 1.00 0.00 C ATOM 53 O LYS A 4 58.990 -16.064 13.069 1.00 0.00 O ATOM 54 CB LYS A 4 58.640 -14.717 15.986 1.00 0.00 C ATOM 55 CG LYS A 4 57.494 -14.236 16.877 1.00 0.00 C ATOM 56 CD LYS A 4 57.771 -14.637 18.327 1.00 0.00 C ATOM 57 CE LYS A 4 57.155 -16.009 18.604 1.00 0.00 C ATOM 58 NZ LYS A 4 57.212 -16.294 20.066 1.00 0.00 N ATOM 0 H LYS A 4 56.702 -15.485 14.275 1.00 0.00 H new ATOM 0 HA LYS A 4 58.583 -13.196 14.461 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.717 -15.803 16.030 1.00 0.00 H new ATOM 0 HB3 LYS A 4 59.587 -14.315 16.345 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.390 -13.154 16.801 1.00 0.00 H new ATOM 0 HG3 LYS A 4 56.552 -14.670 16.542 1.00 0.00 H new ATOM 0 HD2 LYS A 4 58.845 -14.666 18.508 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.353 -13.895 19.007 1.00 0.00 H new ATOM 0 HE2 LYS A 4 56.122 -16.032 18.258 1.00 0.00 H new ATOM 0 HE3 LYS A 4 57.693 -16.779 18.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 56.793 -17.227 20.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 58.203 -16.289 20.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 56.680 -15.565 20.583 1.00 0.00 H new ATOM 72 N GLN A 5 60.528 -14.458 13.417 1.00 0.00 N ATOM 73 CA GLN A 5 61.518 -15.079 12.543 1.00 0.00 C ATOM 74 C GLN A 5 62.928 -14.685 12.968 1.00 0.00 C ATOM 75 O GLN A 5 63.208 -13.512 13.215 1.00 0.00 O ATOM 76 CB GLN A 5 61.279 -14.648 11.095 1.00 0.00 C ATOM 77 CG GLN A 5 61.133 -15.886 10.210 1.00 0.00 C ATOM 78 CD GLN A 5 62.438 -16.675 10.196 1.00 0.00 C ATOM 79 OE1 GLN A 5 62.494 -17.794 10.704 1.00 0.00 O ATOM 80 NE2 GLN A 5 63.499 -16.154 9.642 1.00 0.00 N ATOM 0 H GLN A 5 60.832 -13.587 13.853 1.00 0.00 H new ATOM 0 HA GLN A 5 61.417 -16.162 12.620 1.00 0.00 H new ATOM 0 HB2 GLN A 5 60.380 -14.035 11.031 1.00 0.00 H new ATOM 0 HB3 GLN A 5 62.109 -14.034 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 5 60.323 -16.514 10.580 1.00 0.00 H new ATOM 0 HG3 GLN A 5 60.868 -15.589 9.196 1.00 0.00 H new ATOM 0 HE21 GLN A 5 63.451 -15.226 9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 5 64.376 -16.675 9.630 1.00 0.00 H new ATOM 89 N THR A 6 63.813 -15.673 13.054 1.00 0.00 N ATOM 90 CA THR A 6 65.192 -15.417 13.453 1.00 0.00 C ATOM 91 C THR A 6 66.051 -15.088 12.236 1.00 0.00 C ATOM 92 O THR A 6 66.068 -15.833 11.255 1.00 0.00 O ATOM 93 CB THR A 6 65.765 -16.643 14.168 1.00 0.00 C ATOM 94 OG1 THR A 6 64.766 -17.650 14.253 1.00 0.00 O ATOM 95 CG2 THR A 6 66.217 -16.250 15.575 1.00 0.00 C ATOM 0 H THR A 6 63.602 -16.651 12.854 1.00 0.00 H new ATOM 0 HA THR A 6 65.201 -14.563 14.131 1.00 0.00 H new ATOM 0 HB THR A 6 66.619 -17.025 13.608 1.00 0.00 H new ATOM 0 HG1 THR A 6 65.132 -18.436 14.709 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.625 -17.124 16.083 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.984 -15.478 15.509 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.365 -15.868 16.137 1.00 0.00 H new ATOM 103 N VAL A 7 66.763 -13.968 12.307 1.00 0.00 N ATOM 104 CA VAL A 7 67.623 -13.550 11.205 1.00 0.00 C ATOM 105 C VAL A 7 69.022 -13.216 11.716 1.00 0.00 C ATOM 106 O VAL A 7 69.177 -12.508 12.710 1.00 0.00 O ATOM 107 CB VAL A 7 67.024 -12.324 10.513 1.00 0.00 C ATOM 108 CG1 VAL A 7 67.961 -11.859 9.398 1.00 0.00 C ATOM 109 CG2 VAL A 7 65.664 -12.693 9.915 1.00 0.00 C ATOM 0 H VAL A 7 66.762 -13.338 13.109 1.00 0.00 H new ATOM 0 HA VAL A 7 67.695 -14.371 10.491 1.00 0.00 H new ATOM 0 HB VAL A 7 66.898 -11.521 11.239 1.00 0.00 H new ATOM 0 HG11 VAL A 7 67.534 -10.986 8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.931 -11.599 9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 7 68.087 -12.661 8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.235 -11.821 9.421 1.00 0.00 H new ATOM 0 HG22 VAL A 7 65.792 -13.495 9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.996 -13.026 10.709 1.00 0.00 H new ATOM 119 N GLU A 8 70.035 -13.732 11.029 1.00 0.00 N ATOM 120 CA GLU A 8 71.417 -13.482 11.423 1.00 0.00 C ATOM 121 C GLU A 8 71.903 -12.149 10.864 1.00 0.00 C ATOM 122 O GLU A 8 71.840 -11.911 9.657 1.00 0.00 O ATOM 123 CB GLU A 8 72.318 -14.610 10.915 1.00 0.00 C ATOM 124 CG GLU A 8 72.256 -14.663 9.387 1.00 0.00 C ATOM 125 CD GLU A 8 72.853 -15.974 8.887 1.00 0.00 C ATOM 126 OE1 GLU A 8 73.226 -16.787 9.717 1.00 0.00 O ATOM 127 OE2 GLU A 8 72.928 -16.146 7.681 1.00 0.00 O ATOM 0 H GLU A 8 69.927 -14.321 10.203 1.00 0.00 H new ATOM 0 HA GLU A 8 71.462 -13.443 12.511 1.00 0.00 H new ATOM 0 HB2 GLU A 8 73.345 -14.445 11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 8 71.998 -15.563 11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 8 71.222 -14.574 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 8 72.802 -13.820 8.963 1.00 0.00 H new ATOM 134 N ILE A 9 72.390 -11.284 11.748 1.00 0.00 N ATOM 135 CA ILE A 9 72.885 -9.977 11.331 1.00 0.00 C ATOM 136 C ILE A 9 74.284 -10.101 10.735 1.00 0.00 C ATOM 137 O ILE A 9 75.225 -10.511 11.415 1.00 0.00 O ATOM 138 CB ILE A 9 72.920 -9.026 12.528 1.00 0.00 C ATOM 139 CG1 ILE A 9 71.501 -8.543 12.835 1.00 0.00 C ATOM 140 CG2 ILE A 9 73.808 -7.825 12.201 1.00 0.00 C ATOM 141 CD1 ILE A 9 71.536 -7.574 14.019 1.00 0.00 C ATOM 0 H ILE A 9 72.452 -11.462 12.750 1.00 0.00 H new ATOM 0 HA ILE A 9 72.212 -9.579 10.571 1.00 0.00 H new ATOM 0 HB ILE A 9 73.323 -9.548 13.396 1.00 0.00 H new ATOM 0 HG12 ILE A 9 71.076 -8.050 11.961 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.858 -9.393 13.066 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.833 -7.148 13.055 1.00 0.00 H new ATOM 0 HG22 ILE A 9 74.819 -8.169 11.982 1.00 0.00 H new ATOM 0 HG23 ILE A 9 73.407 -7.301 11.333 1.00 0.00 H new ATOM 0 HD11 ILE A 9 70.525 -7.230 14.238 1.00 0.00 H new ATOM 0 HD12 ILE A 9 71.943 -8.082 14.893 1.00 0.00 H new ATOM 0 HD13 ILE A 9 72.165 -6.719 13.771 1.00 0.00 H new ATOM 297 N PRO A 19 67.018 0.274 6.631 1.00 0.00 N ATOM 298 CA PRO A 19 66.054 -0.767 7.093 1.00 0.00 C ATOM 299 C PRO A 19 65.316 -0.343 8.360 1.00 0.00 C ATOM 300 O PRO A 19 64.086 -0.331 8.398 1.00 0.00 O ATOM 301 CB PRO A 19 66.936 -1.989 7.357 1.00 0.00 C ATOM 302 CG PRO A 19 68.149 -1.800 6.506 1.00 0.00 C ATOM 303 CD PRO A 19 68.346 -0.291 6.350 1.00 0.00 C ATOM 0 HA PRO A 19 65.271 -0.954 6.358 1.00 0.00 H new ATOM 0 HB2 PRO A 19 67.204 -2.059 8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 19 66.416 -2.911 7.099 1.00 0.00 H new ATOM 0 HG2 PRO A 19 69.022 -2.258 6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 19 68.018 -2.276 5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 19 69.096 0.087 7.045 1.00 0.00 H new ATOM 0 HD3 PRO A 19 68.684 -0.035 5.346 1.00 0.00 H new ATOM 311 N ALA A 20 66.077 0.004 9.394 1.00 0.00 N ATOM 312 CA ALA A 20 65.484 0.425 10.658 1.00 0.00 C ATOM 313 C ALA A 20 64.637 1.679 10.460 1.00 0.00 C ATOM 314 O ALA A 20 63.527 1.777 10.982 1.00 0.00 O ATOM 315 CB ALA A 20 66.586 0.708 11.681 1.00 0.00 C ATOM 0 H ALA A 20 67.097 0.002 9.382 1.00 0.00 H new ATOM 0 HA ALA A 20 64.844 -0.378 11.025 1.00 0.00 H new ATOM 0 HB1 ALA A 20 66.136 1.022 12.623 1.00 0.00 H new ATOM 0 HB2 ALA A 20 67.173 -0.196 11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 20 67.235 1.500 11.307 1.00 0.00 H new ATOM 321 N MET A 21 65.169 2.633 9.702 1.00 0.00 N ATOM 322 CA MET A 21 64.452 3.876 9.442 1.00 0.00 C ATOM 323 C MET A 21 63.239 3.618 8.554 1.00 0.00 C ATOM 324 O MET A 21 62.157 4.154 8.794 1.00 0.00 O ATOM 325 CB MET A 21 65.382 4.882 8.762 1.00 0.00 C ATOM 326 CG MET A 21 66.371 5.438 9.788 1.00 0.00 C ATOM 327 SD MET A 21 67.474 6.623 8.980 1.00 0.00 S ATOM 328 CE MET A 21 68.505 6.992 10.422 1.00 0.00 C ATOM 0 H MET A 21 66.086 2.570 9.260 1.00 0.00 H new ATOM 0 HA MET A 21 64.111 4.284 10.393 1.00 0.00 H new ATOM 0 HB2 MET A 21 65.921 4.401 7.946 1.00 0.00 H new ATOM 0 HB3 MET A 21 64.800 5.694 8.325 1.00 0.00 H new ATOM 0 HG2 MET A 21 65.833 5.923 10.603 1.00 0.00 H new ATOM 0 HG3 MET A 21 66.951 4.626 10.227 1.00 0.00 H new ATOM 0 HE1 MET A 21 69.270 7.718 10.146 1.00 0.00 H new ATOM 0 HE2 MET A 21 67.884 7.404 11.218 1.00 0.00 H new ATOM 0 HE3 MET A 21 68.983 6.077 10.771 1.00 0.00 H new ATOM 338 N LYS A 22 63.428 2.795 7.527 1.00 0.00 N ATOM 339 CA LYS A 22 62.342 2.474 6.609 1.00 0.00 C ATOM 340 C LYS A 22 61.189 1.810 7.354 1.00 0.00 C ATOM 341 O LYS A 22 60.021 2.048 7.048 1.00 0.00 O ATOM 342 CB LYS A 22 62.848 1.538 5.509 1.00 0.00 C ATOM 343 CG LYS A 22 63.681 2.334 4.503 1.00 0.00 C ATOM 344 CD LYS A 22 62.751 3.046 3.519 1.00 0.00 C ATOM 345 CE LYS A 22 63.585 3.815 2.493 1.00 0.00 C ATOM 346 NZ LYS A 22 62.683 4.417 1.471 1.00 0.00 N ATOM 0 H LYS A 22 64.316 2.342 7.311 1.00 0.00 H new ATOM 0 HA LYS A 22 61.984 3.401 6.161 1.00 0.00 H new ATOM 0 HB2 LYS A 22 63.450 0.740 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 22 62.006 1.064 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 22 64.302 3.062 5.025 1.00 0.00 H new ATOM 0 HG3 LYS A 22 64.355 1.667 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 22 62.114 2.320 3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 22 62.093 3.730 4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.162 4.595 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.300 3.146 2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.249 4.940 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 62.151 3.664 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 62.018 5.068 1.935 1.00 0.00 H new ATOM 360 N LEU A 23 61.526 0.977 8.333 1.00 0.00 N ATOM 361 CA LEU A 23 60.510 0.283 9.116 1.00 0.00 C ATOM 362 C LEU A 23 59.468 1.269 9.635 1.00 0.00 C ATOM 363 O LEU A 23 58.266 1.018 9.551 1.00 0.00 O ATOM 364 CB LEU A 23 61.163 -0.439 10.296 1.00 0.00 C ATOM 365 CG LEU A 23 61.234 -1.938 10.001 1.00 0.00 C ATOM 366 CD1 LEU A 23 62.155 -2.616 11.016 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.832 -2.544 10.101 1.00 0.00 C ATOM 0 H LEU A 23 62.487 0.767 8.602 1.00 0.00 H new ATOM 0 HA LEU A 23 60.017 -0.445 8.472 1.00 0.00 H new ATOM 0 HB2 LEU A 23 62.164 -0.044 10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 60.589 -0.263 11.206 1.00 0.00 H new ATOM 0 HG LEU A 23 61.627 -2.092 8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 23 62.205 -3.684 10.805 1.00 0.00 H new ATOM 0 HD12 LEU A 23 63.154 -2.185 10.946 1.00 0.00 H new ATOM 0 HD13 LEU A 23 61.764 -2.463 12.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.882 -3.612 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.440 -2.390 11.106 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.175 -2.062 9.377 1.00 0.00 H new ATOM 379 N PHE A 24 59.936 2.391 10.169 1.00 0.00 N ATOM 380 CA PHE A 24 59.035 3.408 10.698 1.00 0.00 C ATOM 381 C PHE A 24 58.023 3.830 9.639 1.00 0.00 C ATOM 382 O PHE A 24 56.851 4.053 9.940 1.00 0.00 O ATOM 383 CB PHE A 24 59.836 4.629 11.158 1.00 0.00 C ATOM 384 CG PHE A 24 60.164 4.492 12.625 1.00 0.00 C ATOM 385 CD1 PHE A 24 61.302 3.781 13.025 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.330 5.076 13.586 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.607 3.654 14.386 1.00 0.00 C ATOM 388 CE2 PHE A 24 59.635 4.950 14.947 1.00 0.00 C ATOM 389 CZ PHE A 24 60.772 4.239 15.347 1.00 0.00 C ATOM 0 H PHE A 24 60.927 2.619 10.247 1.00 0.00 H new ATOM 0 HA PHE A 24 58.499 2.985 11.548 1.00 0.00 H new ATOM 0 HB2 PHE A 24 60.753 4.716 10.576 1.00 0.00 H new ATOM 0 HB3 PHE A 24 59.262 5.540 10.986 1.00 0.00 H new ATOM 0 HD1 PHE A 24 61.945 3.330 12.284 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.452 5.624 13.278 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.485 3.106 14.694 1.00 0.00 H new ATOM 0 HE2 PHE A 24 58.992 5.402 15.688 1.00 0.00 H new ATOM 0 HZ PHE A 24 61.006 4.141 16.397 1.00 0.00 H new ATOM 399 N GLU A 25 58.484 3.937 8.397 1.00 0.00 N ATOM 400 CA GLU A 25 57.610 4.333 7.300 1.00 0.00 C ATOM 401 C GLU A 25 56.713 3.171 6.884 1.00 0.00 C ATOM 402 O GLU A 25 55.553 3.369 6.520 1.00 0.00 O ATOM 403 CB GLU A 25 58.447 4.788 6.103 1.00 0.00 C ATOM 404 CG GLU A 25 59.103 6.133 6.421 1.00 0.00 C ATOM 405 CD GLU A 25 60.066 6.521 5.304 1.00 0.00 C ATOM 406 OE1 GLU A 25 60.399 5.657 4.508 1.00 0.00 O ATOM 407 OE2 GLU A 25 60.457 7.676 5.259 1.00 0.00 O ATOM 0 H GLU A 25 59.451 3.756 8.127 1.00 0.00 H new ATOM 0 HA GLU A 25 56.983 5.158 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 25 59.210 4.044 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 25 57.817 4.879 5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 25 58.339 6.901 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.638 6.071 7.368 1.00 0.00 H new ATOM 414 N LEU A 26 57.257 1.961 6.940 1.00 0.00 N ATOM 415 CA LEU A 26 56.497 0.774 6.567 1.00 0.00 C ATOM 416 C LEU A 26 55.329 0.562 7.527 1.00 0.00 C ATOM 417 O LEU A 26 54.217 0.246 7.106 1.00 0.00 O ATOM 418 CB LEU A 26 57.405 -0.457 6.586 1.00 0.00 C ATOM 419 CG LEU A 26 58.498 -0.303 5.529 1.00 0.00 C ATOM 420 CD1 LEU A 26 59.412 -1.529 5.556 1.00 0.00 C ATOM 421 CD2 LEU A 26 57.854 -0.178 4.146 1.00 0.00 C ATOM 0 H LEU A 26 58.215 1.776 7.238 1.00 0.00 H new ATOM 0 HA LEU A 26 56.105 0.919 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 26 57.853 -0.576 7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 26 56.820 -1.356 6.391 1.00 0.00 H new ATOM 0 HG LEU A 26 59.084 0.591 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 26 60.191 -1.419 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 26 59.870 -1.620 6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 26 58.827 -2.424 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 26 58.632 -0.068 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 26 57.268 -1.073 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 26 57.203 0.696 4.126 1.00 0.00 H new ATOM 433 N MET A 27 55.593 0.738 8.817 1.00 0.00 N ATOM 434 CA MET A 27 54.556 0.565 9.828 1.00 0.00 C ATOM 435 C MET A 27 53.400 1.528 9.582 1.00 0.00 C ATOM 436 O MET A 27 52.236 1.180 9.783 1.00 0.00 O ATOM 437 CB MET A 27 55.139 0.812 11.222 1.00 0.00 C ATOM 438 CG MET A 27 56.096 -0.326 11.584 1.00 0.00 C ATOM 439 SD MET A 27 57.093 0.158 13.015 1.00 0.00 S ATOM 440 CE MET A 27 55.807 -0.057 14.271 1.00 0.00 C ATOM 0 H MET A 27 56.508 0.998 9.185 1.00 0.00 H new ATOM 0 HA MET A 27 54.182 -0.457 9.765 1.00 0.00 H new ATOM 0 HB2 MET A 27 55.666 1.766 11.243 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.337 0.875 11.957 1.00 0.00 H new ATOM 0 HG2 MET A 27 55.533 -1.232 11.809 1.00 0.00 H new ATOM 0 HG3 MET A 27 56.743 -0.555 10.737 1.00 0.00 H new ATOM 0 HE1 MET A 27 55.592 0.903 14.739 1.00 0.00 H new ATOM 0 HE2 MET A 27 54.902 -0.443 13.803 1.00 0.00 H new ATOM 0 HE3 MET A 27 56.152 -0.761 15.029 1.00 0.00 H new ATOM 450 N GLN A 28 53.727 2.739 9.144 1.00 0.00 N ATOM 451 CA GLN A 28 52.706 3.745 8.872 1.00 0.00 C ATOM 452 C GLN A 28 51.703 3.226 7.848 1.00 0.00 C ATOM 453 O GLN A 28 50.497 3.432 7.986 1.00 0.00 O ATOM 454 CB GLN A 28 53.360 5.024 8.346 1.00 0.00 C ATOM 455 CG GLN A 28 52.476 6.225 8.686 1.00 0.00 C ATOM 456 CD GLN A 28 52.547 6.519 10.181 1.00 0.00 C ATOM 457 OE1 GLN A 28 53.607 6.378 10.792 1.00 0.00 O ATOM 458 NE2 GLN A 28 51.477 6.923 10.809 1.00 0.00 N ATOM 0 H GLN A 28 54.684 3.047 8.971 1.00 0.00 H new ATOM 0 HA GLN A 28 52.180 3.962 9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 28 54.348 5.149 8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 28 53.501 4.956 7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 28 52.801 7.098 8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 28 51.445 6.022 8.396 1.00 0.00 H new ATOM 0 HE21 GLN A 28 50.600 7.039 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 28 51.517 7.123 11.808 1.00 0.00 H new ATOM 467 N GLY A 29 52.208 2.551 6.820 1.00 0.00 N ATOM 468 CA GLY A 29 51.346 2.007 5.778 1.00 0.00 C ATOM 469 C GLY A 29 51.042 0.535 6.037 1.00 0.00 C ATOM 470 O GLY A 29 50.078 -0.013 5.501 1.00 0.00 O ATOM 0 H GLY A 29 53.203 2.369 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 29 50.415 2.573 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 29 51.828 2.118 4.807 1.00 0.00 H new ATOM 474 N PHE A 30 51.869 -0.099 6.861 1.00 0.00 N ATOM 475 CA PHE A 30 51.678 -1.508 7.184 1.00 0.00 C ATOM 476 C PHE A 30 50.890 -1.659 8.482 1.00 0.00 C ATOM 477 O PHE A 30 51.307 -1.170 9.532 1.00 0.00 O ATOM 478 CB PHE A 30 53.035 -2.199 7.326 1.00 0.00 C ATOM 479 CG PHE A 30 53.597 -2.492 5.955 1.00 0.00 C ATOM 480 CD1 PHE A 30 53.787 -1.451 5.039 1.00 0.00 C ATOM 481 CD2 PHE A 30 53.930 -3.806 5.600 1.00 0.00 C ATOM 482 CE1 PHE A 30 54.308 -1.722 3.768 1.00 0.00 C ATOM 483 CE2 PHE A 30 54.451 -4.077 4.329 1.00 0.00 C ATOM 484 CZ PHE A 30 54.640 -3.036 3.413 1.00 0.00 C ATOM 0 H PHE A 30 52.672 0.336 7.314 1.00 0.00 H new ATOM 0 HA PHE A 30 51.115 -1.974 6.375 1.00 0.00 H new ATOM 0 HB2 PHE A 30 53.722 -1.563 7.884 1.00 0.00 H new ATOM 0 HB3 PHE A 30 52.926 -3.124 7.892 1.00 0.00 H new ATOM 0 HD1 PHE A 30 53.532 -0.438 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 30 53.785 -4.610 6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 30 54.454 -0.918 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 30 54.707 -5.090 4.055 1.00 0.00 H new ATOM 0 HZ PHE A 30 55.042 -3.246 2.433 1.00 0.00 H new ATOM 494 N ASP A 31 49.752 -2.340 8.402 1.00 0.00 N ATOM 495 CA ASP A 31 48.915 -2.550 9.578 1.00 0.00 C ATOM 496 C ASP A 31 49.475 -3.676 10.440 1.00 0.00 C ATOM 497 O ASP A 31 49.197 -4.851 10.203 1.00 0.00 O ATOM 498 CB ASP A 31 47.488 -2.895 9.148 1.00 0.00 C ATOM 499 CG ASP A 31 46.802 -1.659 8.576 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.340 -0.577 8.742 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.748 -1.813 7.980 1.00 0.00 O ATOM 0 H ASP A 31 49.390 -2.753 7.543 1.00 0.00 H new ATOM 0 HA ASP A 31 48.906 -1.630 10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 31 47.506 -3.689 8.401 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.924 -3.272 10.001 1.00 0.00 H new ATOM 506 N ALA A 32 50.268 -3.309 11.441 1.00 0.00 N ATOM 507 CA ALA A 32 50.864 -4.297 12.334 1.00 0.00 C ATOM 508 C ALA A 32 52.029 -3.687 13.107 1.00 0.00 C ATOM 509 O ALA A 32 52.640 -2.715 12.663 1.00 0.00 O ATOM 510 CB ALA A 32 51.357 -5.499 11.527 1.00 0.00 C ATOM 0 H ALA A 32 50.512 -2.342 11.654 1.00 0.00 H new ATOM 0 HA ALA A 32 50.104 -4.624 13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.801 -6.232 12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.518 -5.952 10.999 1.00 0.00 H new ATOM 0 HB3 ALA A 32 52.105 -5.171 10.805 1.00 0.00 H new ATOM 516 N GLU A 33 52.332 -4.265 14.264 1.00 0.00 N ATOM 517 CA GLU A 33 53.426 -3.769 15.091 1.00 0.00 C ATOM 518 C GLU A 33 54.651 -4.668 14.954 1.00 0.00 C ATOM 519 O GLU A 33 54.561 -5.885 15.118 1.00 0.00 O ATOM 520 CB GLU A 33 52.991 -3.716 16.557 1.00 0.00 C ATOM 521 CG GLU A 33 54.065 -3.005 17.383 1.00 0.00 C ATOM 522 CD GLU A 33 53.597 -2.855 18.827 1.00 0.00 C ATOM 523 OE1 GLU A 33 52.473 -3.237 19.107 1.00 0.00 O ATOM 524 OE2 GLU A 33 54.370 -2.360 19.630 1.00 0.00 O ATOM 0 H GLU A 33 51.840 -5.071 14.648 1.00 0.00 H new ATOM 0 HA GLU A 33 53.686 -2.766 14.753 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.041 -3.190 16.647 1.00 0.00 H new ATOM 0 HB3 GLU A 33 52.834 -4.725 16.937 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.995 -3.572 17.350 1.00 0.00 H new ATOM 0 HG3 GLU A 33 54.274 -2.024 16.956 1.00 0.00 H new ATOM 531 N VAL A 34 55.794 -4.060 14.656 1.00 0.00 N ATOM 532 CA VAL A 34 57.033 -4.815 14.501 1.00 0.00 C ATOM 533 C VAL A 34 57.955 -4.579 15.694 1.00 0.00 C ATOM 534 O VAL A 34 58.091 -3.454 16.172 1.00 0.00 O ATOM 535 CB VAL A 34 57.743 -4.396 13.214 1.00 0.00 C ATOM 536 CG1 VAL A 34 59.115 -5.069 13.144 1.00 0.00 C ATOM 537 CG2 VAL A 34 56.905 -4.823 12.008 1.00 0.00 C ATOM 0 H VAL A 34 55.889 -3.054 14.518 1.00 0.00 H new ATOM 0 HA VAL A 34 56.787 -5.876 14.450 1.00 0.00 H new ATOM 0 HB VAL A 34 57.869 -3.313 13.206 1.00 0.00 H new ATOM 0 HG11 VAL A 34 59.621 -4.770 12.226 1.00 0.00 H new ATOM 0 HG12 VAL A 34 59.713 -4.766 14.003 1.00 0.00 H new ATOM 0 HG13 VAL A 34 58.990 -6.152 13.153 1.00 0.00 H new ATOM 0 HG21 VAL A 34 57.411 -4.525 11.090 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.779 -5.906 12.017 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.927 -4.344 12.056 1.00 0.00 H new ATOM 547 N LEU A 35 58.585 -5.649 16.169 1.00 0.00 N ATOM 548 CA LEU A 35 59.492 -5.546 17.306 1.00 0.00 C ATOM 549 C LEU A 35 60.761 -6.355 17.058 1.00 0.00 C ATOM 550 O LEU A 35 60.704 -7.481 16.564 1.00 0.00 O ATOM 551 CB LEU A 35 58.801 -6.056 18.573 1.00 0.00 C ATOM 552 CG LEU A 35 59.843 -6.285 19.667 1.00 0.00 C ATOM 553 CD1 LEU A 35 59.281 -5.826 21.014 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.186 -7.774 19.739 1.00 0.00 C ATOM 0 H LEU A 35 58.485 -6.590 15.788 1.00 0.00 H new ATOM 0 HA LEU A 35 59.763 -4.498 17.435 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.058 -5.334 18.910 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.270 -6.984 18.362 1.00 0.00 H new ATOM 0 HG LEU A 35 60.742 -5.714 19.436 1.00 0.00 H new ATOM 0 HD11 LEU A 35 60.025 -5.990 21.794 1.00 0.00 H new ATOM 0 HD12 LEU A 35 59.036 -4.765 20.964 1.00 0.00 H new ATOM 0 HD13 LEU A 35 58.381 -6.396 21.246 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.929 -7.939 20.519 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.286 -8.344 19.969 1.00 0.00 H new ATOM 0 HD23 LEU A 35 60.588 -8.102 18.780 1.00 0.00 H new ATOM 566 N LEU A 36 61.904 -5.772 17.402 1.00 0.00 N ATOM 567 CA LEU A 36 63.183 -6.448 17.213 1.00 0.00 C ATOM 568 C LEU A 36 63.771 -6.868 18.557 1.00 0.00 C ATOM 569 O LEU A 36 63.611 -6.172 19.559 1.00 0.00 O ATOM 570 CB LEU A 36 64.162 -5.520 16.493 1.00 0.00 C ATOM 571 CG LEU A 36 63.500 -4.953 15.237 1.00 0.00 C ATOM 572 CD1 LEU A 36 63.315 -3.443 15.394 1.00 0.00 C ATOM 573 CD2 LEU A 36 64.388 -5.234 14.022 1.00 0.00 C ATOM 0 H LEU A 36 61.972 -4.840 17.810 1.00 0.00 H new ATOM 0 HA LEU A 36 63.016 -7.339 16.608 1.00 0.00 H new ATOM 0 HB2 LEU A 36 64.464 -4.709 17.155 1.00 0.00 H new ATOM 0 HB3 LEU A 36 65.066 -6.066 16.225 1.00 0.00 H new ATOM 0 HG LEU A 36 62.528 -5.425 15.095 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.843 -3.039 14.498 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.683 -3.242 16.259 1.00 0.00 H new ATOM 0 HD13 LEU A 36 64.287 -2.970 15.537 1.00 0.00 H new ATOM 0 HD21 LEU A 36 63.917 -4.830 13.126 1.00 0.00 H new ATOM 0 HD22 LEU A 36 65.360 -4.762 14.165 1.00 0.00 H new ATOM 0 HD23 LEU A 36 64.520 -6.310 13.909 1.00 0.00 H new ATOM 585 N ARG A 37 64.449 -8.010 18.570 1.00 0.00 N ATOM 586 CA ARG A 37 65.056 -8.513 19.798 1.00 0.00 C ATOM 587 C ARG A 37 66.402 -9.166 19.502 1.00 0.00 C ATOM 588 O ARG A 37 66.529 -9.951 18.563 1.00 0.00 O ATOM 589 CB ARG A 37 64.126 -9.530 20.461 1.00 0.00 C ATOM 590 CG ARG A 37 64.952 -10.501 21.307 1.00 0.00 C ATOM 591 CD ARG A 37 64.033 -11.237 22.284 1.00 0.00 C ATOM 592 NE ARG A 37 63.517 -10.312 23.286 1.00 0.00 N ATOM 593 CZ ARG A 37 62.727 -10.733 24.268 1.00 0.00 C ATOM 594 NH1 ARG A 37 62.279 -9.886 25.154 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.402 -11.994 24.349 1.00 0.00 N ATOM 0 H ARG A 37 64.592 -8.601 17.751 1.00 0.00 H new ATOM 0 HA ARG A 37 65.215 -7.673 20.474 1.00 0.00 H new ATOM 0 HB2 ARG A 37 63.395 -9.017 21.086 1.00 0.00 H new ATOM 0 HB3 ARG A 37 63.567 -10.077 19.702 1.00 0.00 H new ATOM 0 HG2 ARG A 37 65.463 -11.217 20.663 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.722 -9.958 21.855 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.206 -11.695 21.741 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.580 -12.044 22.771 1.00 0.00 H new ATOM 0 HE ARG A 37 63.767 -9.325 23.232 1.00 0.00 H new ATOM 0 HH11 ARG A 37 62.535 -8.901 25.093 1.00 0.00 H new ATOM 0 HH12 ARG A 37 61.673 -10.209 25.908 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.754 -12.657 23.658 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.796 -12.317 25.103 1.00 0.00 H new ATOM 609 N ASN A 38 67.405 -8.837 20.311 1.00 0.00 N ATOM 610 CA ASN A 38 68.738 -9.398 20.128 1.00 0.00 C ATOM 611 C ASN A 38 68.867 -10.724 20.872 1.00 0.00 C ATOM 612 O ASN A 38 68.153 -10.974 21.843 1.00 0.00 O ATOM 613 CB ASN A 38 69.792 -8.417 20.641 1.00 0.00 C ATOM 614 CG ASN A 38 69.837 -7.183 19.745 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.351 -7.219 18.615 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.396 -6.089 20.185 1.00 0.00 N ATOM 0 H ASN A 38 67.320 -8.189 21.094 1.00 0.00 H new ATOM 0 HA ASN A 38 68.895 -9.575 19.064 1.00 0.00 H new ATOM 0 HB2 ASN A 38 69.560 -8.125 21.665 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.770 -8.898 20.660 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.431 -5.260 19.592 1.00 0.00 H new ATOM 0 HD22 ASN A 38 70.798 -6.063 21.122 1.00 0.00 H new ATOM 623 N ASP A 39 69.786 -11.568 20.412 1.00 0.00 N ATOM 624 CA ASP A 39 70.001 -12.864 21.044 1.00 0.00 C ATOM 625 C ASP A 39 70.326 -12.692 22.524 1.00 0.00 C ATOM 626 O ASP A 39 70.076 -13.586 23.332 1.00 0.00 O ATOM 627 CB ASP A 39 71.149 -13.598 20.348 1.00 0.00 C ATOM 628 CG ASP A 39 72.420 -12.758 20.413 1.00 0.00 C ATOM 629 OD1 ASP A 39 72.333 -11.620 20.843 1.00 0.00 O ATOM 630 OD2 ASP A 39 73.462 -13.266 20.032 1.00 0.00 O ATOM 0 H ASP A 39 70.389 -11.380 19.611 1.00 0.00 H new ATOM 0 HA ASP A 39 69.086 -13.449 20.952 1.00 0.00 H new ATOM 0 HB2 ASP A 39 71.317 -14.564 20.825 1.00 0.00 H new ATOM 0 HB3 ASP A 39 70.887 -13.797 19.309 1.00 0.00 H new ATOM 635 N GLU A 40 70.885 -11.537 22.871 1.00 0.00 N ATOM 636 CA GLU A 40 71.240 -11.259 24.257 1.00 0.00 C ATOM 637 C GLU A 40 69.985 -11.085 25.107 1.00 0.00 C ATOM 638 O GLU A 40 70.021 -11.251 26.326 1.00 0.00 O ATOM 639 CB GLU A 40 72.090 -9.989 24.334 1.00 0.00 C ATOM 640 CG GLU A 40 73.437 -10.234 23.650 1.00 0.00 C ATOM 641 CD GLU A 40 74.229 -8.933 23.579 1.00 0.00 C ATOM 642 OE1 GLU A 40 73.651 -7.894 23.852 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.403 -8.994 23.252 1.00 0.00 O ATOM 0 H GLU A 40 71.100 -10.784 22.217 1.00 0.00 H new ATOM 0 HA GLU A 40 71.812 -12.103 24.642 1.00 0.00 H new ATOM 0 HB2 GLU A 40 71.570 -9.161 23.852 1.00 0.00 H new ATOM 0 HB3 GLU A 40 72.245 -9.705 25.375 1.00 0.00 H new ATOM 0 HG2 GLU A 40 74.003 -10.985 24.201 1.00 0.00 H new ATOM 0 HG3 GLU A 40 73.278 -10.628 22.646 1.00 0.00 H new ATOM 650 N GLY A 41 68.877 -10.746 24.455 1.00 0.00 N ATOM 651 CA GLY A 41 67.616 -10.552 25.161 1.00 0.00 C ATOM 652 C GLY A 41 67.231 -9.077 25.193 1.00 0.00 C ATOM 653 O GLY A 41 66.242 -8.697 25.819 1.00 0.00 O ATOM 0 H GLY A 41 68.827 -10.601 23.447 1.00 0.00 H new ATOM 0 HA2 GLY A 41 66.829 -11.127 24.673 1.00 0.00 H new ATOM 0 HA3 GLY A 41 67.703 -10.931 26.179 1.00 0.00 H new ATOM 657 N THR A 42 68.021 -8.250 24.515 1.00 0.00 N ATOM 658 CA THR A 42 67.752 -6.818 24.472 1.00 0.00 C ATOM 659 C THR A 42 66.672 -6.505 23.442 1.00 0.00 C ATOM 660 O THR A 42 66.890 -6.642 22.238 1.00 0.00 O ATOM 661 CB THR A 42 69.032 -6.056 24.120 1.00 0.00 C ATOM 662 OG1 THR A 42 69.798 -5.850 25.298 1.00 0.00 O ATOM 663 CG2 THR A 42 68.670 -4.705 23.502 1.00 0.00 C ATOM 0 H THR A 42 68.846 -8.544 23.992 1.00 0.00 H new ATOM 0 HA THR A 42 67.401 -6.504 25.455 1.00 0.00 H new ATOM 0 HB THR A 42 69.615 -6.636 23.404 1.00 0.00 H new ATOM 0 HG1 THR A 42 70.619 -5.364 25.074 1.00 0.00 H new ATOM 0 HG21 THR A 42 69.582 -4.163 23.252 1.00 0.00 H new ATOM 0 HG22 THR A 42 68.083 -4.864 22.598 1.00 0.00 H new ATOM 0 HG23 THR A 42 68.087 -4.123 24.216 1.00 0.00 H new ATOM 671 N GLU A 43 65.506 -6.084 23.923 1.00 0.00 N ATOM 672 CA GLU A 43 64.398 -5.755 23.034 1.00 0.00 C ATOM 673 C GLU A 43 64.686 -4.466 22.271 1.00 0.00 C ATOM 674 O GLU A 43 64.529 -3.369 22.806 1.00 0.00 O ATOM 675 CB GLU A 43 63.109 -5.593 23.844 1.00 0.00 C ATOM 676 CG GLU A 43 62.701 -6.946 24.429 1.00 0.00 C ATOM 677 CD GLU A 43 61.450 -6.787 25.287 1.00 0.00 C ATOM 678 OE1 GLU A 43 61.061 -5.657 25.529 1.00 0.00 O ATOM 679 OE2 GLU A 43 60.899 -7.799 25.690 1.00 0.00 O ATOM 0 H GLU A 43 65.305 -5.963 24.916 1.00 0.00 H new ATOM 0 HA GLU A 43 64.278 -6.568 22.318 1.00 0.00 H new ATOM 0 HB2 GLU A 43 63.259 -4.869 24.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 62.313 -5.205 23.208 1.00 0.00 H new ATOM 0 HG2 GLU A 43 62.513 -7.657 23.625 1.00 0.00 H new ATOM 0 HG3 GLU A 43 63.515 -7.352 25.030 1.00 0.00 H new ATOM 686 N ALA A 44 65.109 -4.608 21.020 1.00 0.00 N ATOM 687 CA ALA A 44 65.416 -3.447 20.192 1.00 0.00 C ATOM 688 C ALA A 44 64.149 -2.906 19.537 1.00 0.00 C ATOM 689 O ALA A 44 64.126 -2.636 18.335 1.00 0.00 O ATOM 690 CB ALA A 44 66.429 -3.829 19.111 1.00 0.00 C ATOM 0 H ALA A 44 65.246 -5.508 20.559 1.00 0.00 H new ATOM 0 HA ALA A 44 65.841 -2.672 20.830 1.00 0.00 H new ATOM 0 HB1 ALA A 44 66.653 -2.956 18.497 1.00 0.00 H new ATOM 0 HB2 ALA A 44 67.345 -4.187 19.581 1.00 0.00 H new ATOM 0 HB3 ALA A 44 66.012 -4.617 18.483 1.00 0.00 H new ATOM 696 N GLU A 45 63.096 -2.751 20.333 1.00 0.00 N ATOM 697 CA GLU A 45 61.831 -2.242 19.819 1.00 0.00 C ATOM 698 C GLU A 45 62.071 -1.123 18.810 1.00 0.00 C ATOM 699 O GLU A 45 62.666 -0.096 19.140 1.00 0.00 O ATOM 700 CB GLU A 45 60.972 -1.701 20.955 1.00 0.00 C ATOM 701 CG GLU A 45 61.233 -2.533 22.194 1.00 0.00 C ATOM 702 CD GLU A 45 60.135 -2.304 23.228 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.750 -3.262 23.877 1.00 0.00 O ATOM 704 OE2 GLU A 45 59.696 -1.173 23.355 1.00 0.00 O ATOM 0 H GLU A 45 63.093 -2.969 21.329 1.00 0.00 H new ATOM 0 HA GLU A 45 61.315 -3.068 19.330 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.210 -0.654 21.145 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.917 -1.744 20.685 1.00 0.00 H new ATOM 0 HG2 GLU A 45 61.277 -3.589 21.928 1.00 0.00 H new ATOM 0 HG3 GLU A 45 62.202 -2.271 22.619 1.00 0.00 H new ATOM 711 N ALA A 46 61.608 -1.329 17.583 1.00 0.00 N ATOM 712 CA ALA A 46 61.778 -0.330 16.535 1.00 0.00 C ATOM 713 C ALA A 46 61.208 1.013 16.976 1.00 0.00 C ATOM 714 O ALA A 46 61.726 2.069 16.609 1.00 0.00 O ATOM 715 CB ALA A 46 61.075 -0.790 15.256 1.00 0.00 C ATOM 0 H ALA A 46 61.115 -2.173 17.290 1.00 0.00 H new ATOM 0 HA ALA A 46 62.844 -0.212 16.341 1.00 0.00 H new ATOM 0 HB1 ALA A 46 61.207 -0.038 14.478 1.00 0.00 H new ATOM 0 HB2 ALA A 46 61.505 -1.735 14.924 1.00 0.00 H new ATOM 0 HB3 ALA A 46 60.012 -0.925 15.454 1.00 0.00 H new ATOM 721 N ASN A 47 60.141 0.966 17.767 1.00 0.00 N ATOM 722 CA ASN A 47 59.509 2.187 18.253 1.00 0.00 C ATOM 723 C ASN A 47 60.354 2.829 19.349 1.00 0.00 C ATOM 724 O ASN A 47 59.824 3.425 20.287 1.00 0.00 O ATOM 725 CB ASN A 47 58.116 1.871 18.801 1.00 0.00 C ATOM 726 CG ASN A 47 58.195 1.599 20.300 1.00 0.00 C ATOM 727 OD1 ASN A 47 57.663 2.369 21.100 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.830 0.543 20.729 1.00 0.00 N ATOM 0 H ASN A 47 59.699 0.103 18.083 1.00 0.00 H new ATOM 0 HA ASN A 47 59.423 2.885 17.420 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.443 2.706 18.610 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.702 1.004 18.287 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.887 0.353 21.730 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.270 -0.093 20.064 1.00 0.00 H new ATOM 735 N SER A 48 61.671 2.700 19.225 1.00 0.00 N ATOM 736 CA SER A 48 62.580 3.271 20.212 1.00 0.00 C ATOM 737 C SER A 48 63.948 3.536 19.591 1.00 0.00 C ATOM 738 O SER A 48 64.564 2.638 19.017 1.00 0.00 O ATOM 739 CB SER A 48 62.731 2.317 21.396 1.00 0.00 C ATOM 740 OG SER A 48 64.061 2.391 21.892 1.00 0.00 O ATOM 0 H SER A 48 62.130 2.209 18.457 1.00 0.00 H new ATOM 0 HA SER A 48 62.162 4.216 20.559 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.022 2.579 22.182 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.502 1.297 21.088 1.00 0.00 H new ATOM 0 HG SER A 48 64.161 1.781 22.653 1.00 0.00 H new ATOM 746 N VAL A 49 64.417 4.774 19.712 1.00 0.00 N ATOM 747 CA VAL A 49 65.715 5.145 19.160 1.00 0.00 C ATOM 748 C VAL A 49 66.840 4.452 19.921 1.00 0.00 C ATOM 749 O VAL A 49 67.826 4.015 19.330 1.00 0.00 O ATOM 750 CB VAL A 49 65.902 6.661 19.240 1.00 0.00 C ATOM 751 CG1 VAL A 49 64.794 7.355 18.445 1.00 0.00 C ATOM 752 CG2 VAL A 49 65.835 7.106 20.702 1.00 0.00 C ATOM 0 H VAL A 49 63.922 5.531 20.183 1.00 0.00 H new ATOM 0 HA VAL A 49 65.749 4.829 18.117 1.00 0.00 H new ATOM 0 HB VAL A 49 66.872 6.930 18.822 1.00 0.00 H new ATOM 0 HG11 VAL A 49 64.927 8.435 18.502 1.00 0.00 H new ATOM 0 HG12 VAL A 49 64.841 7.038 17.403 1.00 0.00 H new ATOM 0 HG13 VAL A 49 63.824 7.087 18.863 1.00 0.00 H new ATOM 0 HG21 VAL A 49 65.968 8.186 20.760 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.865 6.837 21.120 1.00 0.00 H new ATOM 0 HG23 VAL A 49 66.624 6.612 21.269 1.00 0.00 H new ATOM 762 N ILE A 50 66.683 4.353 21.238 1.00 0.00 N ATOM 763 CA ILE A 50 67.691 3.710 22.071 1.00 0.00 C ATOM 764 C ILE A 50 67.881 2.255 21.655 1.00 0.00 C ATOM 765 O ILE A 50 68.984 1.714 21.739 1.00 0.00 O ATOM 766 CB ILE A 50 67.270 3.771 23.540 1.00 0.00 C ATOM 767 CG1 ILE A 50 67.316 5.223 24.023 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.229 2.926 24.382 1.00 0.00 C ATOM 769 CD1 ILE A 50 66.547 5.347 25.339 1.00 0.00 C ATOM 0 H ILE A 50 65.873 4.707 21.747 1.00 0.00 H new ATOM 0 HA ILE A 50 68.635 4.240 21.941 1.00 0.00 H new ATOM 0 HB ILE A 50 66.257 3.383 23.643 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.350 5.538 24.163 1.00 0.00 H new ATOM 0 HG13 ILE A 50 66.880 5.881 23.271 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.929 2.970 25.429 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.200 1.892 24.039 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.242 3.314 24.279 1.00 0.00 H new ATOM 0 HD11 ILE A 50 66.579 6.381 25.683 1.00 0.00 H new ATOM 0 HD12 ILE A 50 65.510 5.049 25.184 1.00 0.00 H new ATOM 0 HD13 ILE A 50 67.003 4.700 26.089 1.00 0.00 H new ATOM 781 N ALA A 51 66.799 1.627 21.208 1.00 0.00 N ATOM 782 CA ALA A 51 66.858 0.234 20.781 1.00 0.00 C ATOM 783 C ALA A 51 67.732 0.089 19.540 1.00 0.00 C ATOM 784 O ALA A 51 68.529 -0.844 19.434 1.00 0.00 O ATOM 785 CB ALA A 51 65.449 -0.280 20.478 1.00 0.00 C ATOM 0 H ALA A 51 65.877 2.057 21.132 1.00 0.00 H new ATOM 0 HA ALA A 51 67.294 -0.355 21.588 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.502 -1.321 20.160 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.834 -0.206 21.375 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.006 0.320 19.683 1.00 0.00 H new ATOM 791 N LEU A 52 67.576 1.017 18.602 1.00 0.00 N ATOM 792 CA LEU A 52 68.358 0.983 17.370 1.00 0.00 C ATOM 793 C LEU A 52 69.849 1.060 17.678 1.00 0.00 C ATOM 794 O LEU A 52 70.663 0.411 17.021 1.00 0.00 O ATOM 795 CB LEU A 52 67.959 2.151 16.466 1.00 0.00 C ATOM 796 CG LEU A 52 66.874 1.695 15.490 1.00 0.00 C ATOM 797 CD1 LEU A 52 66.169 2.918 14.901 1.00 0.00 C ATOM 798 CD2 LEU A 52 67.514 0.883 14.361 1.00 0.00 C ATOM 0 H LEU A 52 66.921 1.796 18.669 1.00 0.00 H new ATOM 0 HA LEU A 52 68.154 0.042 16.859 1.00 0.00 H new ATOM 0 HB2 LEU A 52 67.594 2.983 17.069 1.00 0.00 H new ATOM 0 HB3 LEU A 52 68.828 2.513 15.917 1.00 0.00 H new ATOM 0 HG LEU A 52 66.148 1.077 16.018 1.00 0.00 H new ATOM 0 HD11 LEU A 52 65.396 2.592 14.205 1.00 0.00 H new ATOM 0 HD12 LEU A 52 65.714 3.497 15.704 1.00 0.00 H new ATOM 0 HD13 LEU A 52 66.894 3.537 14.373 1.00 0.00 H new ATOM 0 HD21 LEU A 52 66.742 0.557 13.664 1.00 0.00 H new ATOM 0 HD22 LEU A 52 68.240 1.502 13.834 1.00 0.00 H new ATOM 0 HD23 LEU A 52 68.016 0.011 14.780 1.00 0.00 H new ATOM 810 N LEU A 53 70.200 1.858 18.681 1.00 0.00 N ATOM 811 CA LEU A 53 71.598 2.013 19.067 1.00 0.00 C ATOM 812 C LEU A 53 72.160 0.694 19.587 1.00 0.00 C ATOM 813 O LEU A 53 73.324 0.370 19.354 1.00 0.00 O ATOM 814 CB LEU A 53 71.725 3.086 20.150 1.00 0.00 C ATOM 815 CG LEU A 53 73.192 3.228 20.559 1.00 0.00 C ATOM 816 CD1 LEU A 53 74.014 3.703 19.360 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.308 4.250 21.692 1.00 0.00 C ATOM 0 H LEU A 53 69.542 2.403 19.237 1.00 0.00 H new ATOM 0 HA LEU A 53 72.167 2.315 18.188 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.346 4.038 19.779 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.120 2.817 21.016 1.00 0.00 H new ATOM 0 HG LEU A 53 73.569 2.263 20.898 1.00 0.00 H new ATOM 0 HD11 LEU A 53 75.059 3.804 19.652 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.932 2.976 18.552 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.638 4.668 19.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.353 4.352 21.984 1.00 0.00 H new ATOM 0 HD22 LEU A 53 72.930 5.214 21.352 1.00 0.00 H new ATOM 0 HD23 LEU A 53 72.723 3.913 22.548 1.00 0.00 H new ATOM 829 N MET A 54 71.325 -0.062 20.291 1.00 0.00 N ATOM 830 CA MET A 54 71.750 -1.345 20.841 1.00 0.00 C ATOM 831 C MET A 54 72.012 -2.347 19.720 1.00 0.00 C ATOM 832 O MET A 54 72.921 -3.171 19.811 1.00 0.00 O ATOM 833 CB MET A 54 70.672 -1.896 21.777 1.00 0.00 C ATOM 834 CG MET A 54 70.553 -0.991 23.004 1.00 0.00 C ATOM 835 SD MET A 54 71.977 -1.255 24.089 1.00 0.00 S ATOM 836 CE MET A 54 71.427 -0.197 25.450 1.00 0.00 C ATOM 0 H MET A 54 70.357 0.188 20.494 1.00 0.00 H new ATOM 0 HA MET A 54 72.673 -1.191 21.401 1.00 0.00 H new ATOM 0 HB2 MET A 54 69.716 -1.949 21.257 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.925 -2.911 22.083 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.506 0.053 22.696 1.00 0.00 H new ATOM 0 HG3 MET A 54 69.629 -1.207 23.540 1.00 0.00 H new ATOM 0 HE1 MET A 54 72.171 -0.212 26.246 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.302 0.824 25.089 1.00 0.00 H new ATOM 0 HE3 MET A 54 70.476 -0.565 25.835 1.00 0.00 H new ATOM 846 N LEU A 55 71.208 -2.269 18.664 1.00 0.00 N ATOM 847 CA LEU A 55 71.363 -3.175 17.531 1.00 0.00 C ATOM 848 C LEU A 55 72.739 -3.009 16.896 1.00 0.00 C ATOM 849 O LEU A 55 73.248 -3.924 16.246 1.00 0.00 O ATOM 850 CB LEU A 55 70.279 -2.895 16.488 1.00 0.00 C ATOM 851 CG LEU A 55 68.910 -3.260 17.063 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.817 -2.884 16.061 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.857 -4.765 17.334 1.00 0.00 C ATOM 0 H LEU A 55 70.449 -1.594 18.569 1.00 0.00 H new ATOM 0 HA LEU A 55 71.264 -4.199 17.892 1.00 0.00 H new ATOM 0 HB2 LEU A 55 70.297 -1.843 16.203 1.00 0.00 H new ATOM 0 HB3 LEU A 55 70.471 -3.473 15.584 1.00 0.00 H new ATOM 0 HG LEU A 55 68.751 -2.716 17.994 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.842 -3.145 16.472 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.854 -1.812 15.867 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.975 -3.427 15.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.882 -5.027 17.744 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.017 -5.308 16.403 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.635 -5.034 18.049 1.00 0.00 H new ATOM 865 N ASP A 56 73.337 -1.838 17.087 1.00 0.00 N ATOM 866 CA ASP A 56 74.656 -1.564 16.527 1.00 0.00 C ATOM 867 C ASP A 56 75.664 -2.607 16.995 1.00 0.00 C ATOM 868 O ASP A 56 76.561 -2.998 16.249 1.00 0.00 O ATOM 869 CB ASP A 56 75.124 -0.172 16.950 1.00 0.00 C ATOM 870 CG ASP A 56 74.346 0.896 16.188 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.657 0.539 15.247 1.00 0.00 O ATOM 872 OD2 ASP A 56 74.453 2.054 16.555 1.00 0.00 O ATOM 0 H ASP A 56 72.933 -1.068 17.621 1.00 0.00 H new ATOM 0 HA ASP A 56 74.585 -1.607 15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 56 74.980 -0.042 18.023 1.00 0.00 H new ATOM 0 HB3 ASP A 56 76.191 -0.064 16.756 1.00 0.00 H new ATOM 877 N SER A 57 75.510 -3.055 18.237 1.00 0.00 N ATOM 878 CA SER A 57 76.414 -4.055 18.796 1.00 0.00 C ATOM 879 C SER A 57 75.960 -5.460 18.414 1.00 0.00 C ATOM 880 O SER A 57 76.564 -6.451 18.827 1.00 0.00 O ATOM 881 CB SER A 57 76.456 -3.926 20.318 1.00 0.00 C ATOM 882 OG SER A 57 75.181 -4.256 20.854 1.00 0.00 O ATOM 0 H SER A 57 74.774 -2.745 18.871 1.00 0.00 H new ATOM 0 HA SER A 57 77.411 -3.885 18.390 1.00 0.00 H new ATOM 0 HB2 SER A 57 77.218 -4.588 20.729 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.730 -2.910 20.601 1.00 0.00 H new ATOM 0 HG SER A 57 74.500 -3.672 20.461 1.00 0.00 H new ATOM 888 N ALA A 58 74.893 -5.539 17.626 1.00 0.00 N ATOM 889 CA ALA A 58 74.367 -6.829 17.194 1.00 0.00 C ATOM 890 C ALA A 58 75.063 -7.293 15.920 1.00 0.00 C ATOM 891 O ALA A 58 74.511 -8.079 15.150 1.00 0.00 O ATOM 892 CB ALA A 58 72.862 -6.722 16.948 1.00 0.00 C ATOM 0 H ALA A 58 74.378 -4.731 17.275 1.00 0.00 H new ATOM 0 HA ALA A 58 74.555 -7.559 17.981 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.476 -7.689 16.626 1.00 0.00 H new ATOM 0 HB2 ALA A 58 72.363 -6.421 17.869 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.672 -5.979 16.173 1.00 0.00 H new ATOM 898 N LYS A 59 76.278 -6.798 15.701 1.00 0.00 N ATOM 899 CA LYS A 59 77.040 -7.169 14.514 1.00 0.00 C ATOM 900 C LYS A 59 77.598 -8.582 14.656 1.00 0.00 C ATOM 901 O LYS A 59 78.625 -8.792 15.301 1.00 0.00 O ATOM 902 CB LYS A 59 78.190 -6.182 14.302 1.00 0.00 C ATOM 903 CG LYS A 59 78.923 -6.523 13.003 1.00 0.00 C ATOM 904 CD LYS A 59 80.055 -5.520 12.777 1.00 0.00 C ATOM 905 CE LYS A 59 80.816 -5.888 11.502 1.00 0.00 C ATOM 906 NZ LYS A 59 81.917 -4.909 11.281 1.00 0.00 N ATOM 0 H LYS A 59 76.752 -6.145 16.324 1.00 0.00 H new ATOM 0 HA LYS A 59 76.373 -7.139 13.652 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.805 -5.163 14.258 1.00 0.00 H new ATOM 0 HB3 LYS A 59 78.881 -6.226 15.144 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.325 -7.535 13.055 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.228 -6.498 12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.650 -4.511 12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.732 -5.522 13.631 1.00 0.00 H new ATOM 0 HE2 LYS A 59 81.223 -6.896 11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 59 80.138 -5.888 10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 82.435 -5.159 10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 81.518 -3.954 11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 82.568 -4.930 12.092 1.00 0.00 H new ATOM 920 N GLY A 60 76.916 -9.546 14.047 1.00 0.00 N ATOM 921 CA GLY A 60 77.354 -10.936 14.111 1.00 0.00 C ATOM 922 C GLY A 60 76.471 -11.742 15.056 1.00 0.00 C ATOM 923 O GLY A 60 76.680 -12.940 15.247 1.00 0.00 O ATOM 0 H GLY A 60 76.064 -9.393 13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.324 -11.377 13.115 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.390 -10.980 14.448 1.00 0.00 H new ATOM 927 N ARG A 61 75.482 -11.078 15.647 1.00 0.00 N ATOM 928 CA ARG A 61 74.573 -11.745 16.572 1.00 0.00 C ATOM 929 C ARG A 61 73.240 -12.042 15.892 1.00 0.00 C ATOM 930 O ARG A 61 72.945 -11.507 14.823 1.00 0.00 O ATOM 931 CB ARG A 61 74.337 -10.862 17.799 1.00 0.00 C ATOM 932 CG ARG A 61 75.543 -10.957 18.736 1.00 0.00 C ATOM 933 CD ARG A 61 75.325 -10.045 19.943 1.00 0.00 C ATOM 934 NE ARG A 61 76.406 -10.217 20.907 1.00 0.00 N ATOM 935 CZ ARG A 61 76.401 -11.224 21.773 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.381 -11.359 22.624 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.416 -12.080 21.772 1.00 0.00 N ATOM 0 H ARG A 61 75.291 -10.086 15.503 1.00 0.00 H new ATOM 0 HA ARG A 61 75.026 -12.686 16.884 1.00 0.00 H new ATOM 0 HB2 ARG A 61 74.183 -9.828 17.492 1.00 0.00 H new ATOM 0 HB3 ARG A 61 73.433 -11.178 18.319 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.681 -11.987 19.065 1.00 0.00 H new ATOM 0 HG3 ARG A 61 76.451 -10.667 18.207 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.279 -9.005 19.619 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.369 -10.275 20.413 1.00 0.00 H new ATOM 0 HE ARG A 61 77.179 -9.552 20.916 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.152 -10.691 22.624 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.376 -12.133 23.289 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.650 -11.976 21.106 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.412 -12.853 22.437 1.00 0.00 H new ATOM 951 N GLN A 62 72.440 -12.898 16.519 1.00 0.00 N ATOM 952 CA GLN A 62 71.140 -13.260 15.963 1.00 0.00 C ATOM 953 C GLN A 62 70.027 -12.478 16.653 1.00 0.00 C ATOM 954 O GLN A 62 70.072 -12.249 17.861 1.00 0.00 O ATOM 955 CB GLN A 62 70.897 -14.760 16.137 1.00 0.00 C ATOM 956 CG GLN A 62 71.847 -15.539 15.225 1.00 0.00 C ATOM 957 CD GLN A 62 71.745 -17.032 15.520 1.00 0.00 C ATOM 958 OE1 GLN A 62 71.300 -17.424 16.599 1.00 0.00 O ATOM 959 NE2 GLN A 62 72.136 -17.893 14.621 1.00 0.00 N ATOM 0 H GLN A 62 72.665 -13.351 17.405 1.00 0.00 H new ATOM 0 HA GLN A 62 71.138 -13.013 14.901 1.00 0.00 H new ATOM 0 HB2 GLN A 62 71.056 -15.047 17.176 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.862 -15.002 15.894 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.600 -15.348 14.181 1.00 0.00 H new ATOM 0 HG3 GLN A 62 72.871 -15.199 15.377 1.00 0.00 H new ATOM 0 HE21 GLN A 62 72.504 -17.566 13.728 1.00 0.00 H new ATOM 0 HE22 GLN A 62 72.073 -18.893 14.811 1.00 0.00 H new ATOM 968 N ILE A 63 69.028 -12.070 15.876 1.00 0.00 N ATOM 969 CA ILE A 63 67.907 -11.314 16.422 1.00 0.00 C ATOM 970 C ILE A 63 66.583 -11.968 16.043 1.00 0.00 C ATOM 971 O ILE A 63 66.512 -12.742 15.088 1.00 0.00 O ATOM 972 CB ILE A 63 67.938 -9.879 15.893 1.00 0.00 C ATOM 973 CG1 ILE A 63 67.726 -9.891 14.377 1.00 0.00 C ATOM 974 CG2 ILE A 63 69.293 -9.245 16.212 1.00 0.00 C ATOM 975 CD1 ILE A 63 67.529 -8.459 13.878 1.00 0.00 C ATOM 0 H ILE A 63 68.972 -12.249 14.873 1.00 0.00 H new ATOM 0 HA ILE A 63 67.996 -11.304 17.508 1.00 0.00 H new ATOM 0 HB ILE A 63 67.146 -9.300 16.368 1.00 0.00 H new ATOM 0 HG12 ILE A 63 68.585 -10.345 13.883 1.00 0.00 H new ATOM 0 HG13 ILE A 63 66.856 -10.498 14.126 1.00 0.00 H new ATOM 0 HG21 ILE A 63 69.314 -8.223 15.835 1.00 0.00 H new ATOM 0 HG22 ILE A 63 69.446 -9.237 17.291 1.00 0.00 H new ATOM 0 HG23 ILE A 63 70.086 -9.823 15.738 1.00 0.00 H new ATOM 0 HD11 ILE A 63 67.378 -8.467 12.799 1.00 0.00 H new ATOM 0 HD12 ILE A 63 66.656 -8.021 14.363 1.00 0.00 H new ATOM 0 HD13 ILE A 63 68.412 -7.866 14.116 1.00 0.00 H new ATOM 987 N GLU A 64 65.535 -11.653 16.798 1.00 0.00 N ATOM 988 CA GLU A 64 64.217 -12.216 16.532 1.00 0.00 C ATOM 989 C GLU A 64 63.228 -11.115 16.164 1.00 0.00 C ATOM 990 O GLU A 64 62.812 -10.331 17.018 1.00 0.00 O ATOM 991 CB GLU A 64 63.710 -12.968 17.764 1.00 0.00 C ATOM 992 CG GLU A 64 64.882 -13.668 18.453 1.00 0.00 C ATOM 993 CD GLU A 64 64.372 -14.532 19.601 1.00 0.00 C ATOM 994 OE1 GLU A 64 63.445 -14.106 20.271 1.00 0.00 O ATOM 995 OE2 GLU A 64 64.914 -15.609 19.793 1.00 0.00 O ATOM 0 H GLU A 64 65.572 -11.015 17.593 1.00 0.00 H new ATOM 0 HA GLU A 64 64.302 -12.908 15.694 1.00 0.00 H new ATOM 0 HB2 GLU A 64 63.230 -12.274 18.454 1.00 0.00 H new ATOM 0 HB3 GLU A 64 62.957 -13.700 17.472 1.00 0.00 H new ATOM 0 HG2 GLU A 64 65.421 -14.285 17.734 1.00 0.00 H new ATOM 0 HG3 GLU A 64 65.588 -12.928 18.830 1.00 0.00 H new ATOM 1002 N VAL A 65 62.856 -11.060 14.889 1.00 0.00 N ATOM 1003 CA VAL A 65 61.915 -10.049 14.421 1.00 0.00 C ATOM 1004 C VAL A 65 60.479 -10.543 14.567 1.00 0.00 C ATOM 1005 O VAL A 65 60.088 -11.533 13.948 1.00 0.00 O ATOM 1006 CB VAL A 65 62.195 -9.715 12.955 1.00 0.00 C ATOM 1007 CG1 VAL A 65 61.385 -8.483 12.547 1.00 0.00 C ATOM 1008 CG2 VAL A 65 63.687 -9.426 12.774 1.00 0.00 C ATOM 0 H VAL A 65 63.189 -11.698 14.166 1.00 0.00 H new ATOM 0 HA VAL A 65 62.042 -9.153 15.029 1.00 0.00 H new ATOM 0 HB VAL A 65 61.909 -10.561 12.330 1.00 0.00 H new ATOM 0 HG11 VAL A 65 61.585 -8.246 11.502 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.322 -8.687 12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 65 61.670 -7.637 13.172 1.00 0.00 H new ATOM 0 HG21 VAL A 65 63.887 -9.188 11.729 1.00 0.00 H new ATOM 0 HG22 VAL A 65 63.972 -8.581 13.400 1.00 0.00 H new ATOM 0 HG23 VAL A 65 64.265 -10.303 13.063 1.00 0.00 H new ATOM 1018 N GLU A 66 59.701 -9.849 15.389 1.00 0.00 N ATOM 1019 CA GLU A 66 58.309 -10.226 15.609 1.00 0.00 C ATOM 1020 C GLU A 66 57.370 -9.155 15.066 1.00 0.00 C ATOM 1021 O GLU A 66 57.588 -7.961 15.275 1.00 0.00 O ATOM 1022 CB GLU A 66 58.051 -10.424 17.104 1.00 0.00 C ATOM 1023 CG GLU A 66 56.546 -10.528 17.353 1.00 0.00 C ATOM 1024 CD GLU A 66 56.286 -11.127 18.731 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.249 -11.404 19.426 1.00 0.00 O ATOM 1026 OE2 GLU A 66 55.126 -11.301 19.071 1.00 0.00 O ATOM 0 H GLU A 66 60.007 -9.028 15.911 1.00 0.00 H new ATOM 0 HA GLU A 66 58.119 -11.160 15.081 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.551 -11.327 17.454 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.467 -9.590 17.669 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.089 -9.541 17.284 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.084 -11.148 16.585 1.00 0.00 H new ATOM 1033 N ALA A 67 56.325 -9.588 14.369 1.00 0.00 N ATOM 1034 CA ALA A 67 55.358 -8.656 13.801 1.00 0.00 C ATOM 1035 C ALA A 67 53.933 -9.131 14.070 1.00 0.00 C ATOM 1036 O ALA A 67 53.592 -10.282 13.799 1.00 0.00 O ATOM 1037 CB ALA A 67 55.579 -8.527 12.293 1.00 0.00 C ATOM 0 H ALA A 67 56.127 -10.571 14.185 1.00 0.00 H new ATOM 0 HA ALA A 67 55.500 -7.684 14.273 1.00 0.00 H new ATOM 0 HB1 ALA A 67 54.852 -7.829 11.877 1.00 0.00 H new ATOM 0 HB2 ALA A 67 56.587 -8.158 12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 67 55.456 -9.502 11.822 1.00 0.00 H new ATOM 1043 N THR A 68 53.108 -8.238 14.604 1.00 0.00 N ATOM 1044 CA THR A 68 51.721 -8.578 14.906 1.00 0.00 C ATOM 1045 C THR A 68 50.768 -7.626 14.191 1.00 0.00 C ATOM 1046 O THR A 68 50.925 -6.407 14.261 1.00 0.00 O ATOM 1047 CB THR A 68 51.482 -8.504 16.415 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.399 -9.363 17.080 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.051 -8.942 16.729 1.00 0.00 C ATOM 0 H THR A 68 53.371 -7.280 14.836 1.00 0.00 H new ATOM 0 HA THR A 68 51.531 -9.593 14.558 1.00 0.00 H new ATOM 0 HB THR A 68 51.629 -7.479 16.757 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.249 -9.316 18.047 1.00 0.00 H new ATOM 0 HG21 THR A 68 49.882 -8.889 17.804 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.349 -8.283 16.218 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.901 -9.966 16.388 1.00 0.00 H new ATOM 1057 N GLY A 69 49.780 -8.191 13.504 1.00 0.00 N ATOM 1058 CA GLY A 69 48.807 -7.382 12.780 1.00 0.00 C ATOM 1059 C GLY A 69 48.469 -8.011 11.433 1.00 0.00 C ATOM 1060 O GLY A 69 49.174 -8.902 10.957 1.00 0.00 O ATOM 0 H GLY A 69 49.633 -9.198 13.434 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.900 -7.279 13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 69 49.204 -6.379 12.628 1.00 0.00 H new ATOM 1064 N PRO A 70 47.409 -7.565 10.820 1.00 0.00 N ATOM 1065 CA PRO A 70 46.959 -8.087 9.498 1.00 0.00 C ATOM 1066 C PRO A 70 48.108 -8.188 8.498 1.00 0.00 C ATOM 1067 O PRO A 70 48.254 -9.195 7.806 1.00 0.00 O ATOM 1068 CB PRO A 70 45.921 -7.062 9.038 1.00 0.00 C ATOM 1069 CG PRO A 70 45.395 -6.439 10.289 1.00 0.00 C ATOM 1070 CD PRO A 70 46.520 -6.507 11.324 1.00 0.00 C ATOM 0 HA PRO A 70 46.560 -9.099 9.571 1.00 0.00 H new ATOM 0 HB2 PRO A 70 46.371 -6.313 8.386 1.00 0.00 H new ATOM 0 HB3 PRO A 70 45.122 -7.540 8.471 1.00 0.00 H new ATOM 0 HG2 PRO A 70 45.096 -5.406 10.110 1.00 0.00 H new ATOM 0 HG3 PRO A 70 44.511 -6.970 10.643 1.00 0.00 H new ATOM 0 HD2 PRO A 70 47.042 -5.554 11.408 1.00 0.00 H new ATOM 0 HD3 PRO A 70 46.136 -6.748 12.315 1.00 0.00 H new ATOM 1078 N GLN A 71 48.918 -7.137 8.428 1.00 0.00 N ATOM 1079 CA GLN A 71 50.051 -7.118 7.509 1.00 0.00 C ATOM 1080 C GLN A 71 51.302 -7.665 8.187 1.00 0.00 C ATOM 1081 O GLN A 71 52.390 -7.647 7.611 1.00 0.00 O ATOM 1082 CB GLN A 71 50.311 -5.688 7.030 1.00 0.00 C ATOM 1083 CG GLN A 71 49.117 -5.198 6.210 1.00 0.00 C ATOM 1084 CD GLN A 71 49.370 -3.777 5.718 1.00 0.00 C ATOM 1085 OE1 GLN A 71 50.408 -3.504 5.114 1.00 0.00 O ATOM 1086 NE2 GLN A 71 48.478 -2.851 5.941 1.00 0.00 N ATOM 0 H GLN A 71 48.813 -6.293 8.992 1.00 0.00 H new ATOM 0 HA GLN A 71 49.811 -7.750 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 71 50.473 -5.031 7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 71 51.218 -5.655 6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 71 48.952 -5.861 5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 71 48.212 -5.226 6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 71 47.619 -3.080 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 71 48.640 -1.898 5.615 1.00 0.00 H new ATOM 1095 N GLU A 72 51.140 -8.151 9.414 1.00 0.00 N ATOM 1096 CA GLU A 72 52.265 -8.701 10.161 1.00 0.00 C ATOM 1097 C GLU A 72 53.174 -9.511 9.243 1.00 0.00 C ATOM 1098 O GLU A 72 54.399 -9.448 9.353 1.00 0.00 O ATOM 1099 CB GLU A 72 51.752 -9.595 11.292 1.00 0.00 C ATOM 1100 CG GLU A 72 51.163 -10.877 10.702 1.00 0.00 C ATOM 1101 CD GLU A 72 50.419 -11.655 11.783 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.464 -11.231 12.927 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.817 -12.663 11.452 1.00 0.00 O ATOM 0 H GLU A 72 50.248 -8.175 9.908 1.00 0.00 H new ATOM 0 HA GLU A 72 52.837 -7.874 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 72 52.566 -9.837 11.976 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.995 -9.067 11.872 1.00 0.00 H new ATOM 0 HG2 GLU A 72 50.484 -10.633 9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 72 51.958 -11.492 10.282 1.00 0.00 H new ATOM 1110 N GLU A 73 52.567 -10.271 8.337 1.00 0.00 N ATOM 1111 CA GLU A 73 53.334 -11.089 7.404 1.00 0.00 C ATOM 1112 C GLU A 73 54.142 -10.208 6.457 1.00 0.00 C ATOM 1113 O GLU A 73 55.340 -10.421 6.267 1.00 0.00 O ATOM 1114 CB GLU A 73 52.389 -11.981 6.595 1.00 0.00 C ATOM 1115 CG GLU A 73 51.641 -12.922 7.540 1.00 0.00 C ATOM 1116 CD GLU A 73 50.742 -13.858 6.739 1.00 0.00 C ATOM 1117 OE1 GLU A 73 50.716 -13.730 5.527 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.094 -14.691 7.352 1.00 0.00 O ATOM 0 H GLU A 73 51.555 -10.338 8.229 1.00 0.00 H new ATOM 0 HA GLU A 73 54.022 -11.712 7.976 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.680 -11.368 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 73 52.954 -12.558 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 73 52.353 -13.502 8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 73 51.043 -12.344 8.244 1.00 0.00 H new ATOM 1125 N GLU A 74 53.480 -9.220 5.865 1.00 0.00 N ATOM 1126 CA GLU A 74 54.149 -8.312 4.939 1.00 0.00 C ATOM 1127 C GLU A 74 55.226 -7.510 5.661 1.00 0.00 C ATOM 1128 O GLU A 74 56.368 -7.438 5.208 1.00 0.00 O ATOM 1129 CB GLU A 74 53.130 -7.357 4.314 1.00 0.00 C ATOM 1130 CG GLU A 74 53.629 -6.905 2.942 1.00 0.00 C ATOM 1131 CD GLU A 74 53.269 -7.947 1.887 1.00 0.00 C ATOM 1132 OE1 GLU A 74 52.099 -8.279 1.786 1.00 0.00 O ATOM 1133 OE2 GLU A 74 54.168 -8.397 1.197 1.00 0.00 O ATOM 0 H GLU A 74 52.489 -9.028 6.008 1.00 0.00 H new ATOM 0 HA GLU A 74 54.618 -8.905 4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 74 52.164 -7.852 4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 74 52.981 -6.493 4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 74 53.185 -5.944 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 74 54.709 -6.760 2.968 1.00 0.00 H new ATOM 1140 N ALA A 75 54.855 -6.908 6.786 1.00 0.00 N ATOM 1141 CA ALA A 75 55.800 -6.114 7.564 1.00 0.00 C ATOM 1142 C ALA A 75 57.034 -6.939 7.911 1.00 0.00 C ATOM 1143 O ALA A 75 58.165 -6.486 7.737 1.00 0.00 O ATOM 1144 CB ALA A 75 55.134 -5.621 8.850 1.00 0.00 C ATOM 0 H ALA A 75 53.914 -6.954 7.177 1.00 0.00 H new ATOM 0 HA ALA A 75 56.107 -5.258 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 75 55.846 -5.029 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 75 54.270 -5.006 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 75 54.811 -6.476 9.443 1.00 0.00 H new ATOM 1150 N LEU A 76 56.808 -8.154 8.401 1.00 0.00 N ATOM 1151 CA LEU A 76 57.910 -9.035 8.769 1.00 0.00 C ATOM 1152 C LEU A 76 58.742 -9.393 7.542 1.00 0.00 C ATOM 1153 O LEU A 76 59.972 -9.402 7.596 1.00 0.00 O ATOM 1154 CB LEU A 76 57.364 -10.313 9.408 1.00 0.00 C ATOM 1155 CG LEU A 76 58.529 -11.212 9.830 1.00 0.00 C ATOM 1156 CD1 LEU A 76 59.387 -10.483 10.864 1.00 0.00 C ATOM 1157 CD2 LEU A 76 57.980 -12.503 10.441 1.00 0.00 C ATOM 0 H LEU A 76 55.879 -8.548 8.551 1.00 0.00 H new ATOM 0 HA LEU A 76 58.545 -8.513 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 76 56.750 -10.065 10.274 1.00 0.00 H new ATOM 0 HB3 LEU A 76 56.722 -10.840 8.702 1.00 0.00 H new ATOM 0 HG LEU A 76 59.138 -11.452 8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 76 60.217 -11.123 11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 76 59.778 -9.563 10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 76 58.780 -10.243 11.737 1.00 0.00 H new ATOM 0 HD21 LEU A 76 58.809 -13.144 10.742 1.00 0.00 H new ATOM 0 HD22 LEU A 76 57.372 -12.263 11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 76 57.368 -13.023 9.704 1.00 0.00 H new ATOM 1169 N ALA A 77 58.063 -9.684 6.438 1.00 0.00 N ATOM 1170 CA ALA A 77 58.751 -10.040 5.202 1.00 0.00 C ATOM 1171 C ALA A 77 59.636 -8.891 4.732 1.00 0.00 C ATOM 1172 O ALA A 77 60.762 -9.106 4.281 1.00 0.00 O ATOM 1173 CB ALA A 77 57.730 -10.379 4.115 1.00 0.00 C ATOM 0 H ALA A 77 57.045 -9.681 6.373 1.00 0.00 H new ATOM 0 HA ALA A 77 59.378 -10.911 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 77 58.252 -10.644 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 77 57.118 -11.221 4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 77 57.091 -9.515 3.934 1.00 0.00 H new ATOM 1179 N ALA A 78 59.120 -7.671 4.838 1.00 0.00 N ATOM 1180 CA ALA A 78 59.873 -6.495 4.420 1.00 0.00 C ATOM 1181 C ALA A 78 61.183 -6.393 5.193 1.00 0.00 C ATOM 1182 O ALA A 78 62.242 -6.155 4.613 1.00 0.00 O ATOM 1183 CB ALA A 78 59.041 -5.231 4.653 1.00 0.00 C ATOM 0 H ALA A 78 58.190 -7.472 5.207 1.00 0.00 H new ATOM 0 HA ALA A 78 60.098 -6.591 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 78 59.611 -4.357 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 78 58.119 -5.291 4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 78 58.800 -5.144 5.712 1.00 0.00 H new ATOM 1189 N VAL A 79 61.104 -6.575 6.508 1.00 0.00 N ATOM 1190 CA VAL A 79 62.291 -6.501 7.352 1.00 0.00 C ATOM 1191 C VAL A 79 63.260 -7.629 7.014 1.00 0.00 C ATOM 1192 O VAL A 79 64.470 -7.417 6.935 1.00 0.00 O ATOM 1193 CB VAL A 79 61.890 -6.595 8.825 1.00 0.00 C ATOM 1194 CG1 VAL A 79 63.144 -6.560 9.700 1.00 0.00 C ATOM 1195 CG2 VAL A 79 60.986 -5.414 9.183 1.00 0.00 C ATOM 0 H VAL A 79 60.238 -6.773 7.009 1.00 0.00 H new ATOM 0 HA VAL A 79 62.785 -5.547 7.170 1.00 0.00 H new ATOM 0 HB VAL A 79 61.354 -7.529 8.996 1.00 0.00 H new ATOM 0 HG11 VAL A 79 62.857 -6.627 10.749 1.00 0.00 H new ATOM 0 HG12 VAL A 79 63.789 -7.401 9.446 1.00 0.00 H new ATOM 0 HG13 VAL A 79 63.681 -5.627 9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.700 -5.480 10.233 1.00 0.00 H new ATOM 0 HG22 VAL A 79 61.522 -4.480 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.091 -5.439 8.561 1.00 0.00 H new ATOM 1205 N ILE A 80 62.722 -8.827 6.815 1.00 0.00 N ATOM 1206 CA ILE A 80 63.549 -9.982 6.486 1.00 0.00 C ATOM 1207 C ILE A 80 64.184 -9.812 5.110 1.00 0.00 C ATOM 1208 O ILE A 80 65.344 -10.169 4.902 1.00 0.00 O ATOM 1209 CB ILE A 80 62.701 -11.255 6.505 1.00 0.00 C ATOM 1210 CG1 ILE A 80 62.403 -11.647 7.954 1.00 0.00 C ATOM 1211 CG2 ILE A 80 63.466 -12.388 5.819 1.00 0.00 C ATOM 1212 CD1 ILE A 80 61.419 -12.817 7.974 1.00 0.00 C ATOM 0 H ILE A 80 61.723 -9.023 6.875 1.00 0.00 H new ATOM 0 HA ILE A 80 64.340 -10.062 7.231 1.00 0.00 H new ATOM 0 HB ILE A 80 61.765 -11.076 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 80 63.325 -11.925 8.464 1.00 0.00 H new ATOM 0 HG13 ILE A 80 61.985 -10.797 8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 80 62.862 -13.295 5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 80 63.680 -12.110 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 80 64.402 -12.567 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 80 61.207 -13.096 9.006 1.00 0.00 H new ATOM 0 HD12 ILE A 80 60.493 -12.522 7.480 1.00 0.00 H new ATOM 0 HD13 ILE A 80 61.855 -13.668 7.450 1.00 0.00 H new ATOM 1224 N ALA A 81 63.417 -9.265 4.173 1.00 0.00 N ATOM 1225 CA ALA A 81 63.915 -9.054 2.819 1.00 0.00 C ATOM 1226 C ALA A 81 65.094 -8.086 2.825 1.00 0.00 C ATOM 1227 O ALA A 81 66.043 -8.243 2.057 1.00 0.00 O ATOM 1228 CB ALA A 81 62.800 -8.497 1.933 1.00 0.00 C ATOM 0 H ALA A 81 62.455 -8.962 4.324 1.00 0.00 H new ATOM 0 HA ALA A 81 64.249 -10.013 2.423 1.00 0.00 H new ATOM 0 HB1 ALA A 81 63.181 -8.342 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 81 61.971 -9.204 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 81 62.453 -7.547 2.339 1.00 0.00 H new ATOM 1234 N LEU A 82 65.026 -7.085 3.698 1.00 0.00 N ATOM 1235 CA LEU A 82 66.095 -6.097 3.796 1.00 0.00 C ATOM 1236 C LEU A 82 67.351 -6.725 4.391 1.00 0.00 C ATOM 1237 O LEU A 82 68.465 -6.454 3.940 1.00 0.00 O ATOM 1238 CB LEU A 82 65.645 -4.926 4.670 1.00 0.00 C ATOM 1239 CG LEU A 82 64.706 -4.022 3.869 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.816 -3.230 4.829 1.00 0.00 C ATOM 1241 CD2 LEU A 82 65.533 -3.051 3.023 1.00 0.00 C ATOM 0 H LEU A 82 64.249 -6.937 4.342 1.00 0.00 H new ATOM 0 HA LEU A 82 66.323 -5.735 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 82 65.138 -5.297 5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 82 66.511 -4.358 5.010 1.00 0.00 H new ATOM 0 HG LEU A 82 64.082 -4.634 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.147 -2.586 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.227 -3.921 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 82 64.439 -2.618 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 82 64.865 -2.406 2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 82 66.157 -2.440 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 82 66.167 -3.614 2.338 1.00 0.00 H new ATOM 1253 N PHE A 83 67.165 -7.562 5.406 1.00 0.00 N ATOM 1254 CA PHE A 83 68.291 -8.222 6.056 1.00 0.00 C ATOM 1255 C PHE A 83 68.899 -9.277 5.136 1.00 0.00 C ATOM 1256 O PHE A 83 70.095 -9.561 5.206 1.00 0.00 O ATOM 1257 CB PHE A 83 67.830 -8.882 7.356 1.00 0.00 C ATOM 1258 CG PHE A 83 67.287 -7.826 8.290 1.00 0.00 C ATOM 1259 CD1 PHE A 83 67.267 -6.484 7.894 1.00 0.00 C ATOM 1260 CD2 PHE A 83 66.804 -8.191 9.553 1.00 0.00 C ATOM 1261 CE1 PHE A 83 66.764 -5.506 8.760 1.00 0.00 C ATOM 1262 CE2 PHE A 83 66.301 -7.212 10.419 1.00 0.00 C ATOM 1263 CZ PHE A 83 66.281 -5.870 10.022 1.00 0.00 C ATOM 0 H PHE A 83 66.252 -7.798 5.794 1.00 0.00 H new ATOM 0 HA PHE A 83 69.048 -7.470 6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 83 67.062 -9.627 7.146 1.00 0.00 H new ATOM 0 HB3 PHE A 83 68.662 -9.406 7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 83 67.640 -6.203 6.920 1.00 0.00 H new ATOM 0 HD2 PHE A 83 66.819 -9.227 9.859 1.00 0.00 H new ATOM 0 HE1 PHE A 83 66.749 -4.470 8.454 1.00 0.00 H new ATOM 0 HE2 PHE A 83 65.929 -7.493 11.393 1.00 0.00 H new ATOM 0 HZ PHE A 83 65.893 -5.115 10.690 1.00 0.00 H new