USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 THR OG1 : rot -2:sc= 0.867 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -3.41! C(o=-5.4!,f=-3.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 21 MET CE :methyl 137:sc= -0.232 (180deg=-1.47!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -131:sc= 0 (180deg=-0.00437) USER MOD Single : A 28 GLN : amide:sc=-0.00133 X(o=-0.0013,f=-0.27) USER MOD Single : A 38 ASN : amide:sc= -2.81 K(o=-2.8,f=-6.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.79 F(o=-1.6!,f=-0.79) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -85:sc= 0.0858 USER MOD Single : A 59 LYS NZ :NH3+ 146:sc= -0.241 (180deg=-1.48!) USER MOD Single : A 62 GLN : amide:sc= -2.62! C(o=-2.6!,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.73! USER MOD Single : A 71 GLN : amide:sc= -4.71 K(o=-4.7,f=-5.7!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.063) USER MOD Single : A 85 SER OG : rot -38:sc= 0.00398 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.733 -13.532 19.657 1.00 0.00 N ATOM 21 CA THR A 2 51.121 -13.098 19.513 1.00 0.00 C ATOM 22 C THR A 2 51.799 -13.851 18.383 1.00 0.00 C ATOM 23 O THR A 2 51.473 -15.008 18.115 1.00 0.00 O ATOM 24 CB THR A 2 51.898 -13.377 20.808 1.00 0.00 C ATOM 25 OG1 THR A 2 50.999 -13.820 21.814 1.00 0.00 O ATOM 26 CG2 THR A 2 52.606 -12.106 21.277 1.00 0.00 C ATOM 0 HA THR A 2 51.118 -12.030 19.297 1.00 0.00 H new ATOM 0 HB THR A 2 52.643 -14.150 20.618 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.085 -13.816 21.461 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.154 -12.313 22.196 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.301 -11.772 20.507 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.868 -11.326 21.463 1.00 0.00 H new ATOM 34 N VAL A 3 52.776 -13.213 17.750 1.00 0.00 N ATOM 35 CA VAL A 3 53.516 -13.847 16.705 1.00 0.00 C ATOM 36 C VAL A 3 54.946 -13.434 16.822 1.00 0.00 C ATOM 37 O VAL A 3 55.258 -12.267 17.044 1.00 0.00 O ATOM 38 CB VAL A 3 53.008 -13.454 15.342 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.013 -14.493 14.867 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.337 -12.091 15.419 1.00 0.00 C ATOM 0 H VAL A 3 53.063 -12.256 17.954 1.00 0.00 H new ATOM 0 HA VAL A 3 53.403 -14.926 16.809 1.00 0.00 H new ATOM 0 HB VAL A 3 53.840 -13.399 14.640 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.640 -14.216 13.881 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.502 -15.466 14.810 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.180 -14.546 15.568 1.00 0.00 H new ATOM 0 HG21 VAL A 3 51.971 -11.810 14.432 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.501 -12.136 16.117 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.058 -11.350 15.763 1.00 0.00 H new ATOM 50 N LYS A 4 55.802 -14.395 16.667 1.00 0.00 N ATOM 51 CA LYS A 4 57.201 -14.152 16.747 1.00 0.00 C ATOM 52 C LYS A 4 57.928 -15.156 15.905 1.00 0.00 C ATOM 53 O LYS A 4 57.571 -16.333 15.857 1.00 0.00 O ATOM 54 CB LYS A 4 57.670 -14.238 18.177 1.00 0.00 C ATOM 55 CG LYS A 4 57.064 -15.479 18.842 1.00 0.00 C ATOM 56 CD LYS A 4 55.667 -15.154 19.424 1.00 0.00 C ATOM 57 CE LYS A 4 54.587 -16.021 18.757 1.00 0.00 C ATOM 58 NZ LYS A 4 54.537 -17.353 19.425 1.00 0.00 N ATOM 0 H LYS A 4 55.548 -15.365 16.482 1.00 0.00 H new ATOM 0 HA LYS A 4 57.411 -13.148 16.378 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.758 -14.289 18.211 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.376 -13.341 18.722 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.982 -16.286 18.114 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.722 -15.832 19.636 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.666 -15.327 20.500 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.440 -14.099 19.271 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.616 -15.530 18.828 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.806 -16.142 17.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.806 -17.940 18.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 55.461 -17.821 19.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 54.308 -17.228 20.432 1.00 0.00 H new ATOM 72 N GLN A 5 58.920 -14.670 15.209 1.00 0.00 N ATOM 73 CA GLN A 5 59.671 -15.510 14.315 1.00 0.00 C ATOM 74 C GLN A 5 61.114 -15.066 14.222 1.00 0.00 C ATOM 75 O GLN A 5 61.447 -13.906 14.435 1.00 0.00 O ATOM 76 CB GLN A 5 59.034 -15.441 12.941 1.00 0.00 C ATOM 77 CG GLN A 5 57.511 -15.433 13.086 1.00 0.00 C ATOM 78 CD GLN A 5 56.857 -15.461 11.709 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.609 -15.491 10.643 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.631 -15.455 11.602 1.00 0.00 N flip ATOM 0 H GLN A 5 59.227 -13.698 15.243 1.00 0.00 H new ATOM 0 HA GLN A 5 59.658 -16.530 14.698 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.365 -14.543 12.419 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.348 -16.294 12.339 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.188 -16.296 13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.194 -14.544 13.631 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.046 -15.432 12.437 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.200 -15.474 10.678 1.00 0.00 H new ATOM 89 N THR A 6 61.956 -16.012 13.893 1.00 0.00 N ATOM 90 CA THR A 6 63.360 -15.773 13.743 1.00 0.00 C ATOM 91 C THR A 6 63.720 -15.800 12.268 1.00 0.00 C ATOM 92 O THR A 6 63.747 -16.863 11.649 1.00 0.00 O ATOM 93 CB THR A 6 64.128 -16.858 14.488 1.00 0.00 C ATOM 94 OG1 THR A 6 63.449 -17.175 15.695 1.00 0.00 O ATOM 95 CG2 THR A 6 65.523 -16.355 14.803 1.00 0.00 C ATOM 0 H THR A 6 61.679 -16.978 13.721 1.00 0.00 H new ATOM 0 HA THR A 6 63.620 -14.798 14.154 1.00 0.00 H new ATOM 0 HB THR A 6 64.195 -17.752 13.869 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.942 -17.874 16.174 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.077 -17.128 15.336 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.041 -16.113 13.875 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.456 -15.462 15.425 1.00 0.00 H new ATOM 103 N VAL A 7 63.984 -14.629 11.702 1.00 0.00 N ATOM 104 CA VAL A 7 64.325 -14.558 10.283 1.00 0.00 C ATOM 105 C VAL A 7 65.837 -14.491 10.088 1.00 0.00 C ATOM 106 O VAL A 7 66.487 -13.534 10.506 1.00 0.00 O ATOM 107 CB VAL A 7 63.672 -13.320 9.636 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.268 -13.626 8.182 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.427 -12.912 10.434 1.00 0.00 C ATOM 0 H VAL A 7 63.970 -13.733 12.189 1.00 0.00 H new ATOM 0 HA VAL A 7 63.947 -15.461 9.804 1.00 0.00 H new ATOM 0 HB VAL A 7 64.394 -12.503 9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.808 -12.743 7.738 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.153 -13.901 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.556 -14.451 8.168 1.00 0.00 H new ATOM 0 HG21 VAL A 7 61.970 -12.037 9.972 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.712 -13.735 10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.713 -12.674 11.458 1.00 0.00 H new ATOM 119 N GLU A 8 66.388 -15.502 9.424 1.00 0.00 N ATOM 120 CA GLU A 8 67.819 -15.524 9.155 1.00 0.00 C ATOM 121 C GLU A 8 68.138 -14.446 8.133 1.00 0.00 C ATOM 122 O GLU A 8 67.641 -14.487 7.007 1.00 0.00 O ATOM 123 CB GLU A 8 68.235 -16.896 8.617 1.00 0.00 C ATOM 124 CG GLU A 8 67.507 -17.994 9.395 1.00 0.00 C ATOM 125 CD GLU A 8 68.169 -19.343 9.138 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.413 -20.053 10.099 1.00 0.00 O ATOM 127 OE2 GLU A 8 68.422 -19.646 7.984 1.00 0.00 O ATOM 0 H GLU A 8 65.872 -16.306 9.067 1.00 0.00 H new ATOM 0 HA GLU A 8 68.369 -15.336 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.997 -16.969 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.313 -17.023 8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 8 67.525 -17.768 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.460 -18.031 9.095 1.00 0.00 H new ATOM 134 N ILE A 9 68.939 -13.462 8.524 1.00 0.00 N ATOM 135 CA ILE A 9 69.259 -12.377 7.609 1.00 0.00 C ATOM 136 C ILE A 9 70.257 -12.809 6.552 1.00 0.00 C ATOM 137 O ILE A 9 71.169 -13.592 6.816 1.00 0.00 O ATOM 138 CB ILE A 9 69.881 -11.179 8.339 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.259 -10.967 9.733 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.690 -9.926 7.492 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.238 -9.815 9.716 1.00 0.00 C ATOM 0 H ILE A 9 69.369 -13.393 9.446 1.00 0.00 H new ATOM 0 HA ILE A 9 68.311 -12.096 7.151 1.00 0.00 H new ATOM 0 HB ILE A 9 70.942 -11.382 8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.771 -11.885 10.060 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.045 -10.749 10.456 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.129 -9.070 8.004 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.178 -10.061 6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.625 -9.749 7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.816 -9.688 10.713 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.734 -8.893 9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.440 -10.046 9.010 1.00 0.00 H new ATOM 311 N ALA A 20 62.481 -1.297 7.663 1.00 0.00 N ATOM 312 CA ALA A 20 62.463 -1.362 9.113 1.00 0.00 C ATOM 313 C ALA A 20 61.571 -0.258 9.671 1.00 0.00 C ATOM 314 O ALA A 20 60.957 -0.413 10.724 1.00 0.00 O ATOM 315 CB ALA A 20 63.896 -1.221 9.641 1.00 0.00 C ATOM 0 HA ALA A 20 62.059 -2.322 9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.889 -1.269 10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.511 -2.030 9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.308 -0.264 9.323 1.00 0.00 H new ATOM 321 N MET A 21 61.502 0.853 8.948 1.00 0.00 N ATOM 322 CA MET A 21 60.677 1.977 9.366 1.00 0.00 C ATOM 323 C MET A 21 59.211 1.714 9.043 1.00 0.00 C ATOM 324 O MET A 21 58.335 2.074 9.822 1.00 0.00 O ATOM 325 CB MET A 21 61.137 3.267 8.679 1.00 0.00 C ATOM 326 CG MET A 21 62.383 3.814 9.385 1.00 0.00 C ATOM 327 SD MET A 21 62.493 5.602 9.121 1.00 0.00 S ATOM 328 CE MET A 21 61.069 6.085 10.130 1.00 0.00 C ATOM 0 H MET A 21 62.006 0.999 8.073 1.00 0.00 H new ATOM 0 HA MET A 21 60.785 2.094 10.444 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.358 3.072 7.630 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.338 4.008 8.704 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.334 3.596 10.452 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.277 3.323 9.000 1.00 0.00 H new ATOM 0 HE1 MET A 21 61.326 6.961 10.726 1.00 0.00 H new ATOM 0 HE2 MET A 21 60.227 6.322 9.480 1.00 0.00 H new ATOM 0 HE3 MET A 21 60.796 5.263 10.792 1.00 0.00 H new ATOM 338 N LYS A 22 58.929 1.075 7.907 1.00 0.00 N ATOM 339 CA LYS A 22 57.534 0.790 7.575 1.00 0.00 C ATOM 340 C LYS A 22 56.862 0.242 8.811 1.00 0.00 C ATOM 341 O LYS A 22 55.877 0.791 9.284 1.00 0.00 O ATOM 342 CB LYS A 22 57.411 -0.230 6.442 1.00 0.00 C ATOM 343 CG LYS A 22 58.407 0.104 5.341 1.00 0.00 C ATOM 344 CD LYS A 22 57.976 1.374 4.594 1.00 0.00 C ATOM 345 CE LYS A 22 56.647 1.133 3.867 1.00 0.00 C ATOM 346 NZ LYS A 22 56.620 1.933 2.610 1.00 0.00 N ATOM 0 H LYS A 22 59.618 0.756 7.226 1.00 0.00 H new ATOM 0 HA LYS A 22 57.061 1.712 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.598 -1.234 6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.397 -0.224 6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.399 0.246 5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.479 -0.729 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.870 2.200 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.745 1.662 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 22 56.531 0.073 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.812 1.415 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 55.720 1.771 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.713 2.943 2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 57.409 1.643 1.997 1.00 0.00 H new ATOM 360 N LEU A 23 57.446 -0.814 9.362 1.00 0.00 N ATOM 361 CA LEU A 23 56.938 -1.417 10.581 1.00 0.00 C ATOM 362 C LEU A 23 56.336 -0.341 11.469 1.00 0.00 C ATOM 363 O LEU A 23 55.283 -0.521 12.078 1.00 0.00 O ATOM 364 CB LEU A 23 58.127 -2.022 11.313 1.00 0.00 C ATOM 365 CG LEU A 23 58.206 -3.529 11.094 1.00 0.00 C ATOM 366 CD1 LEU A 23 58.859 -3.838 9.734 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.057 -4.109 12.212 1.00 0.00 C ATOM 0 H LEU A 23 58.275 -1.270 8.980 1.00 0.00 H new ATOM 0 HA LEU A 23 56.180 -2.165 10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.048 -1.553 10.965 1.00 0.00 H new ATOM 0 HB3 LEU A 23 58.045 -1.811 12.379 1.00 0.00 H new ATOM 0 HG LEU A 23 57.207 -3.964 11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 23 58.909 -4.917 9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.265 -3.393 8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.866 -3.422 9.711 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.135 -5.189 12.087 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.053 -3.667 12.178 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.594 -3.888 13.174 1.00 0.00 H new ATOM 379 N PHE A 24 57.040 0.774 11.527 1.00 0.00 N ATOM 380 CA PHE A 24 56.631 1.906 12.331 1.00 0.00 C ATOM 381 C PHE A 24 55.466 2.646 11.663 1.00 0.00 C ATOM 382 O PHE A 24 54.360 2.726 12.206 1.00 0.00 O ATOM 383 CB PHE A 24 57.821 2.853 12.468 1.00 0.00 C ATOM 384 CG PHE A 24 59.013 2.162 13.122 1.00 0.00 C ATOM 385 CD1 PHE A 24 59.446 0.881 12.716 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.709 2.831 14.132 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.564 0.296 13.325 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.819 2.243 14.737 1.00 0.00 C ATOM 389 CZ PHE A 24 61.249 0.979 14.335 1.00 0.00 C ATOM 0 H PHE A 24 57.912 0.919 11.017 1.00 0.00 H new ATOM 0 HA PHE A 24 56.303 1.558 13.310 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.108 3.222 11.484 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.531 3.720 13.062 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.916 0.353 11.937 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.384 3.812 14.447 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.897 -0.683 13.014 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.347 2.768 15.519 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.111 0.527 14.804 1.00 0.00 H new ATOM 399 N GLU A 25 55.711 3.164 10.466 1.00 0.00 N ATOM 400 CA GLU A 25 54.664 3.867 9.734 1.00 0.00 C ATOM 401 C GLU A 25 53.538 2.895 9.441 1.00 0.00 C ATOM 402 O GLU A 25 52.382 3.281 9.276 1.00 0.00 O ATOM 403 CB GLU A 25 55.216 4.442 8.427 1.00 0.00 C ATOM 404 CG GLU A 25 56.064 5.678 8.731 1.00 0.00 C ATOM 405 CD GLU A 25 57.250 5.295 9.609 1.00 0.00 C ATOM 406 OE1 GLU A 25 58.080 4.528 9.148 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.312 5.775 10.729 1.00 0.00 O ATOM 0 H GLU A 25 56.610 3.113 9.987 1.00 0.00 H new ATOM 0 HA GLU A 25 54.292 4.695 10.338 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.818 3.692 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.396 4.706 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.418 6.123 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 25 55.457 6.431 9.234 1.00 0.00 H new ATOM 414 N LEU A 26 53.899 1.624 9.415 1.00 0.00 N ATOM 415 CA LEU A 26 52.943 0.563 9.186 1.00 0.00 C ATOM 416 C LEU A 26 52.288 0.216 10.511 1.00 0.00 C ATOM 417 O LEU A 26 51.121 -0.161 10.557 1.00 0.00 O ATOM 418 CB LEU A 26 53.652 -0.644 8.557 1.00 0.00 C ATOM 419 CG LEU A 26 52.851 -1.918 8.784 1.00 0.00 C ATOM 420 CD1 LEU A 26 53.000 -2.333 10.256 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.367 -1.688 8.407 1.00 0.00 C ATOM 0 H LEU A 26 54.858 1.303 9.551 1.00 0.00 H new ATOM 0 HA LEU A 26 52.167 0.879 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.784 -0.478 7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.647 -0.753 8.988 1.00 0.00 H new ATOM 0 HG LEU A 26 53.227 -2.721 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.431 -3.245 10.436 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.052 -2.511 10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.622 -1.537 10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.803 -2.606 8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.954 -0.891 9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.298 -1.405 7.357 1.00 0.00 H new ATOM 433 N MET A 27 53.033 0.387 11.601 1.00 0.00 N ATOM 434 CA MET A 27 52.468 0.126 12.917 1.00 0.00 C ATOM 435 C MET A 27 51.180 0.918 12.998 1.00 0.00 C ATOM 436 O MET A 27 50.209 0.503 13.630 1.00 0.00 O ATOM 437 CB MET A 27 53.429 0.555 14.043 1.00 0.00 C ATOM 438 CG MET A 27 54.321 -0.623 14.479 1.00 0.00 C ATOM 439 SD MET A 27 53.965 -1.049 16.203 1.00 0.00 S ATOM 440 CE MET A 27 54.837 0.340 16.968 1.00 0.00 C ATOM 0 H MET A 27 54.005 0.697 11.599 1.00 0.00 H new ATOM 0 HA MET A 27 52.293 -0.942 13.048 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.052 1.381 13.701 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.857 0.919 14.896 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.142 -1.485 13.836 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.372 -0.356 14.369 1.00 0.00 H new ATOM 0 HE1 MET A 27 55.486 -0.030 17.761 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.438 0.851 16.216 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.112 1.038 17.388 1.00 0.00 H new ATOM 450 N GLN A 28 51.174 2.049 12.294 1.00 0.00 N ATOM 451 CA GLN A 28 49.988 2.879 12.233 1.00 0.00 C ATOM 452 C GLN A 28 48.972 2.172 11.337 1.00 0.00 C ATOM 453 O GLN A 28 47.770 2.432 11.400 1.00 0.00 O ATOM 454 CB GLN A 28 50.353 4.265 11.676 1.00 0.00 C ATOM 455 CG GLN A 28 49.206 4.817 10.828 1.00 0.00 C ATOM 456 CD GLN A 28 49.420 6.304 10.565 1.00 0.00 C ATOM 457 OE1 GLN A 28 49.601 7.081 11.502 1.00 0.00 O ATOM 458 NE2 GLN A 28 49.410 6.748 9.338 1.00 0.00 N ATOM 0 H GLN A 28 51.972 2.403 11.766 1.00 0.00 H new ATOM 0 HA GLN A 28 49.560 3.026 13.225 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.569 4.949 12.497 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.258 4.195 11.073 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.149 4.277 9.883 1.00 0.00 H new ATOM 0 HG3 GLN A 28 48.257 4.663 11.341 1.00 0.00 H new ATOM 0 HE21 GLN A 28 49.260 6.102 8.563 1.00 0.00 H new ATOM 0 HE22 GLN A 28 49.552 7.741 9.154 1.00 0.00 H new ATOM 467 N GLY A 29 49.483 1.248 10.520 1.00 0.00 N ATOM 468 CA GLY A 29 48.639 0.461 9.619 1.00 0.00 C ATOM 469 C GLY A 29 48.122 -0.777 10.344 1.00 0.00 C ATOM 470 O GLY A 29 46.917 -1.026 10.391 1.00 0.00 O ATOM 0 H GLY A 29 50.477 1.027 10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.802 1.065 9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.208 0.166 8.738 1.00 0.00 H new ATOM 474 N PHE A 30 49.044 -1.523 10.948 1.00 0.00 N ATOM 475 CA PHE A 30 48.678 -2.708 11.720 1.00 0.00 C ATOM 476 C PHE A 30 48.823 -2.378 13.192 1.00 0.00 C ATOM 477 O PHE A 30 49.827 -1.797 13.602 1.00 0.00 O ATOM 478 CB PHE A 30 49.591 -3.904 11.430 1.00 0.00 C ATOM 479 CG PHE A 30 49.671 -4.218 9.957 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.521 -4.325 9.172 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.920 -4.441 9.389 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.639 -4.652 7.816 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.045 -4.764 8.045 1.00 0.00 C ATOM 484 CZ PHE A 30 49.906 -4.871 7.251 1.00 0.00 C ATOM 0 H PHE A 30 50.045 -1.329 10.918 1.00 0.00 H new ATOM 0 HA PHE A 30 47.658 -2.977 11.445 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.591 -3.695 11.810 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.222 -4.778 11.966 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.547 -4.157 9.608 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.806 -4.362 10.002 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.754 -4.736 7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.022 -4.932 7.617 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.997 -5.122 6.204 1.00 0.00 H new ATOM 494 N ASP A 31 47.854 -2.776 13.996 1.00 0.00 N ATOM 495 CA ASP A 31 47.947 -2.534 15.411 1.00 0.00 C ATOM 496 C ASP A 31 48.624 -3.734 16.005 1.00 0.00 C ATOM 497 O ASP A 31 48.009 -4.784 16.178 1.00 0.00 O ATOM 498 CB ASP A 31 46.563 -2.334 16.020 1.00 0.00 C ATOM 499 CG ASP A 31 46.686 -2.030 17.509 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.731 -2.319 18.068 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.733 -1.513 18.069 1.00 0.00 O ATOM 0 H ASP A 31 47.009 -3.260 13.693 1.00 0.00 H new ATOM 0 HA ASP A 31 48.513 -1.625 15.616 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.049 -1.516 15.515 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.959 -3.229 15.872 1.00 0.00 H new ATOM 506 N ALA A 32 49.907 -3.599 16.269 1.00 0.00 N ATOM 507 CA ALA A 32 50.649 -4.694 16.786 1.00 0.00 C ATOM 508 C ALA A 32 51.986 -4.212 17.279 1.00 0.00 C ATOM 509 O ALA A 32 52.523 -3.215 16.800 1.00 0.00 O ATOM 510 CB ALA A 32 50.827 -5.736 15.698 1.00 0.00 C ATOM 0 H ALA A 32 50.441 -2.741 16.130 1.00 0.00 H new ATOM 0 HA ALA A 32 50.112 -5.143 17.622 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.396 -6.579 16.091 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.849 -6.083 15.363 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.363 -5.296 14.857 1.00 0.00 H new ATOM 516 N GLU A 33 52.502 -4.917 18.249 1.00 0.00 N ATOM 517 CA GLU A 33 53.761 -4.572 18.841 1.00 0.00 C ATOM 518 C GLU A 33 54.805 -5.577 18.436 1.00 0.00 C ATOM 519 O GLU A 33 55.040 -6.581 19.108 1.00 0.00 O ATOM 520 CB GLU A 33 53.571 -4.558 20.331 1.00 0.00 C ATOM 521 CG GLU A 33 54.178 -3.284 20.892 1.00 0.00 C ATOM 522 CD GLU A 33 54.139 -3.302 22.416 1.00 0.00 C ATOM 523 OE1 GLU A 33 53.140 -2.871 22.968 1.00 0.00 O ATOM 524 OE2 GLU A 33 55.107 -3.748 23.009 1.00 0.00 O ATOM 0 H GLU A 33 52.061 -5.745 18.649 1.00 0.00 H new ATOM 0 HA GLU A 33 54.100 -3.592 18.504 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.510 -4.610 20.576 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.045 -5.431 20.780 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.208 -3.183 20.550 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.631 -2.418 20.518 1.00 0.00 H new ATOM 531 N VAL A 34 55.400 -5.297 17.309 1.00 0.00 N ATOM 532 CA VAL A 34 56.406 -6.167 16.751 1.00 0.00 C ATOM 533 C VAL A 34 57.796 -5.746 17.180 1.00 0.00 C ATOM 534 O VAL A 34 58.267 -4.671 16.841 1.00 0.00 O ATOM 535 CB VAL A 34 56.250 -6.213 15.229 1.00 0.00 C ATOM 536 CG1 VAL A 34 54.781 -5.981 14.864 1.00 0.00 C ATOM 537 CG2 VAL A 34 57.101 -5.148 14.555 1.00 0.00 C ATOM 0 H VAL A 34 55.205 -4.465 16.752 1.00 0.00 H new ATOM 0 HA VAL A 34 56.265 -7.177 17.136 1.00 0.00 H new ATOM 0 HB VAL A 34 56.581 -7.192 14.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 54.666 -6.013 13.781 1.00 0.00 H new ATOM 0 HG12 VAL A 34 54.166 -6.759 15.317 1.00 0.00 H new ATOM 0 HG13 VAL A 34 54.464 -5.006 15.234 1.00 0.00 H new ATOM 0 HG21 VAL A 34 56.969 -5.206 13.475 1.00 0.00 H new ATOM 0 HG22 VAL A 34 56.795 -4.162 14.905 1.00 0.00 H new ATOM 0 HG23 VAL A 34 58.150 -5.311 14.801 1.00 0.00 H new ATOM 547 N LEU A 35 58.440 -6.605 17.959 1.00 0.00 N ATOM 548 CA LEU A 35 59.770 -6.309 18.453 1.00 0.00 C ATOM 549 C LEU A 35 60.821 -7.083 17.657 1.00 0.00 C ATOM 550 O LEU A 35 60.672 -8.276 17.393 1.00 0.00 O ATOM 551 CB LEU A 35 59.834 -6.637 19.956 1.00 0.00 C ATOM 552 CG LEU A 35 60.828 -7.769 20.240 1.00 0.00 C ATOM 553 CD1 LEU A 35 62.263 -7.287 19.983 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.680 -8.200 21.698 1.00 0.00 C ATOM 0 H LEU A 35 58.063 -7.504 18.258 1.00 0.00 H new ATOM 0 HA LEU A 35 59.987 -5.249 18.321 1.00 0.00 H new ATOM 0 HB2 LEU A 35 60.126 -5.746 20.512 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.844 -6.923 20.310 1.00 0.00 H new ATOM 0 HG LEU A 35 60.621 -8.612 19.581 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.961 -8.098 20.188 1.00 0.00 H new ATOM 0 HD12 LEU A 35 62.362 -6.977 18.943 1.00 0.00 H new ATOM 0 HD13 LEU A 35 62.486 -6.443 20.636 1.00 0.00 H new ATOM 0 HD21 LEU A 35 61.382 -9.005 21.912 1.00 0.00 H new ATOM 0 HD22 LEU A 35 60.889 -7.353 22.351 1.00 0.00 H new ATOM 0 HD23 LEU A 35 59.663 -8.550 21.872 1.00 0.00 H new ATOM 566 N LEU A 36 61.871 -6.377 17.263 1.00 0.00 N ATOM 567 CA LEU A 36 62.952 -6.959 16.480 1.00 0.00 C ATOM 568 C LEU A 36 64.183 -7.221 17.343 1.00 0.00 C ATOM 569 O LEU A 36 64.653 -6.330 18.034 1.00 0.00 O ATOM 570 CB LEU A 36 63.316 -5.968 15.391 1.00 0.00 C ATOM 571 CG LEU A 36 62.367 -6.140 14.209 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.920 -6.022 14.696 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.639 -5.043 13.189 1.00 0.00 C ATOM 0 H LEU A 36 61.998 -5.388 17.476 1.00 0.00 H new ATOM 0 HA LEU A 36 62.623 -7.911 16.064 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.254 -4.950 15.776 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.346 -6.126 15.070 1.00 0.00 H new ATOM 0 HG LEU A 36 62.522 -7.119 13.754 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.241 -6.145 13.852 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.721 -6.796 15.437 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.766 -5.041 15.146 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.964 -5.159 12.341 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.477 -4.069 13.650 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.671 -5.114 12.844 1.00 0.00 H new ATOM 585 N ARG A 37 64.709 -8.439 17.294 1.00 0.00 N ATOM 586 CA ARG A 37 65.886 -8.774 18.067 1.00 0.00 C ATOM 587 C ARG A 37 66.751 -9.773 17.335 1.00 0.00 C ATOM 588 O ARG A 37 66.294 -10.481 16.449 1.00 0.00 O ATOM 589 CB ARG A 37 65.494 -9.385 19.400 1.00 0.00 C ATOM 590 CG ARG A 37 64.498 -10.495 19.157 1.00 0.00 C ATOM 591 CD ARG A 37 64.364 -11.367 20.413 1.00 0.00 C ATOM 592 NE ARG A 37 64.818 -10.638 21.592 1.00 0.00 N ATOM 593 CZ ARG A 37 64.511 -11.052 22.816 1.00 0.00 C ATOM 594 NH1 ARG A 37 64.934 -10.385 23.855 1.00 0.00 N ATOM 595 NH2 ARG A 37 63.786 -12.125 22.980 1.00 0.00 N ATOM 0 H ARG A 37 64.338 -9.203 16.729 1.00 0.00 H new ATOM 0 HA ARG A 37 66.441 -7.849 18.223 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.375 -9.775 19.910 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.060 -8.625 20.050 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.528 -10.073 18.893 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.821 -11.105 18.314 1.00 0.00 H new ATOM 0 HD2 ARG A 37 63.325 -11.670 20.543 1.00 0.00 H new ATOM 0 HD3 ARG A 37 64.949 -12.279 20.294 1.00 0.00 H new ATOM 0 HE ARG A 37 65.381 -9.796 21.474 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.500 -9.546 23.727 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.699 -10.702 24.795 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.455 -12.646 22.168 1.00 0.00 H new ATOM 0 HH22 ARG A 37 63.550 -12.443 23.920 1.00 0.00 H new ATOM 609 N ASN A 38 67.994 -9.843 17.754 1.00 0.00 N ATOM 610 CA ASN A 38 68.940 -10.781 17.170 1.00 0.00 C ATOM 611 C ASN A 38 69.063 -12.007 18.045 1.00 0.00 C ATOM 612 O ASN A 38 69.205 -11.886 19.269 1.00 0.00 O ATOM 613 CB ASN A 38 70.336 -10.194 17.087 1.00 0.00 C ATOM 614 CG ASN A 38 70.414 -9.006 16.165 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.539 -8.788 15.329 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.439 -8.219 16.281 1.00 0.00 N ATOM 0 H ASN A 38 68.379 -9.262 18.499 1.00 0.00 H new ATOM 0 HA ASN A 38 68.562 -11.018 16.175 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.660 -9.896 18.084 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.029 -10.962 16.743 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.528 -7.405 15.673 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.156 -8.415 16.980 1.00 0.00 H new ATOM 623 N ASP A 39 69.078 -13.176 17.416 1.00 0.00 N ATOM 624 CA ASP A 39 69.251 -14.412 18.157 1.00 0.00 C ATOM 625 C ASP A 39 70.486 -14.285 19.040 1.00 0.00 C ATOM 626 O ASP A 39 70.745 -15.123 19.903 1.00 0.00 O ATOM 627 CB ASP A 39 69.420 -15.581 17.190 1.00 0.00 C ATOM 628 CG ASP A 39 70.629 -15.343 16.292 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.217 -16.318 15.853 1.00 0.00 O ATOM 630 OD2 ASP A 39 70.950 -14.190 16.056 1.00 0.00 O ATOM 0 H ASP A 39 68.974 -13.291 16.408 1.00 0.00 H new ATOM 0 HA ASP A 39 68.373 -14.597 18.775 1.00 0.00 H new ATOM 0 HB2 ASP A 39 69.547 -16.509 17.747 1.00 0.00 H new ATOM 0 HB3 ASP A 39 68.522 -15.694 16.583 1.00 0.00 H new ATOM 635 N GLU A 40 71.235 -13.208 18.810 1.00 0.00 N ATOM 636 CA GLU A 40 72.441 -12.930 19.576 1.00 0.00 C ATOM 637 C GLU A 40 72.067 -12.430 20.959 1.00 0.00 C ATOM 638 O GLU A 40 72.869 -12.481 21.891 1.00 0.00 O ATOM 639 CB GLU A 40 73.246 -11.828 18.879 1.00 0.00 C ATOM 640 CG GLU A 40 74.101 -12.406 17.753 1.00 0.00 C ATOM 641 CD GLU A 40 75.067 -13.453 18.299 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.892 -13.097 19.123 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.966 -14.596 17.884 1.00 0.00 O ATOM 0 H GLU A 40 71.023 -12.512 18.095 1.00 0.00 H new ATOM 0 HA GLU A 40 73.028 -13.846 19.650 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.567 -11.076 18.476 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.885 -11.325 19.605 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.459 -12.855 16.995 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.659 -11.607 17.265 1.00 0.00 H new ATOM 650 N GLY A 41 70.849 -11.920 21.071 1.00 0.00 N ATOM 651 CA GLY A 41 70.372 -11.377 22.329 1.00 0.00 C ATOM 652 C GLY A 41 70.111 -9.887 22.176 1.00 0.00 C ATOM 653 O GLY A 41 69.711 -9.217 23.128 1.00 0.00 O ATOM 0 H GLY A 41 70.176 -11.872 20.306 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.458 -11.887 22.633 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.109 -11.549 23.113 1.00 0.00 H new ATOM 657 N THR A 42 70.314 -9.371 20.959 1.00 0.00 N ATOM 658 CA THR A 42 70.058 -7.950 20.716 1.00 0.00 C ATOM 659 C THR A 42 68.555 -7.763 20.617 1.00 0.00 C ATOM 660 O THR A 42 67.858 -8.661 20.165 1.00 0.00 O ATOM 661 CB THR A 42 70.774 -7.447 19.439 1.00 0.00 C ATOM 662 OG1 THR A 42 71.654 -6.388 19.792 1.00 0.00 O ATOM 663 CG2 THR A 42 69.763 -6.930 18.404 1.00 0.00 C ATOM 0 H THR A 42 70.645 -9.898 20.150 1.00 0.00 H new ATOM 0 HA THR A 42 70.459 -7.357 21.538 1.00 0.00 H new ATOM 0 HB THR A 42 71.325 -8.279 19.000 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.114 -6.064 18.990 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.295 -6.583 17.518 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.082 -7.735 18.127 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.194 -6.105 18.832 1.00 0.00 H new ATOM 671 N GLU A 43 68.049 -6.619 21.057 1.00 0.00 N ATOM 672 CA GLU A 43 66.605 -6.390 21.018 1.00 0.00 C ATOM 673 C GLU A 43 66.268 -5.005 20.493 1.00 0.00 C ATOM 674 O GLU A 43 66.839 -4.005 20.930 1.00 0.00 O ATOM 675 CB GLU A 43 66.003 -6.575 22.422 1.00 0.00 C ATOM 676 CG GLU A 43 67.109 -6.944 23.414 1.00 0.00 C ATOM 677 CD GLU A 43 66.517 -7.140 24.806 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.994 -8.013 25.513 1.00 0.00 O ATOM 679 OE2 GLU A 43 65.596 -6.415 25.145 1.00 0.00 O ATOM 0 H GLU A 43 68.599 -5.849 21.437 1.00 0.00 H new ATOM 0 HA GLU A 43 66.174 -7.121 20.334 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.508 -5.657 22.740 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.243 -7.357 22.402 1.00 0.00 H new ATOM 0 HG2 GLU A 43 67.609 -7.857 23.091 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.864 -6.158 23.438 1.00 0.00 H new ATOM 686 N ALA A 44 65.332 -4.956 19.545 1.00 0.00 N ATOM 687 CA ALA A 44 64.924 -3.693 18.962 1.00 0.00 C ATOM 688 C ALA A 44 63.407 -3.572 18.880 1.00 0.00 C ATOM 689 O ALA A 44 62.745 -4.360 18.206 1.00 0.00 O ATOM 690 CB ALA A 44 65.494 -3.576 17.554 1.00 0.00 C ATOM 0 H ALA A 44 64.850 -5.773 19.172 1.00 0.00 H new ATOM 0 HA ALA A 44 65.302 -2.897 19.603 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.188 -2.626 17.115 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.582 -3.621 17.597 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.121 -4.396 16.941 1.00 0.00 H new ATOM 696 N GLU A 45 62.872 -2.556 19.540 1.00 0.00 N ATOM 697 CA GLU A 45 61.444 -2.303 19.509 1.00 0.00 C ATOM 698 C GLU A 45 61.083 -1.596 18.207 1.00 0.00 C ATOM 699 O GLU A 45 61.517 -0.470 17.962 1.00 0.00 O ATOM 700 CB GLU A 45 61.046 -1.425 20.696 1.00 0.00 C ATOM 701 CG GLU A 45 60.995 -2.276 21.962 1.00 0.00 C ATOM 702 CD GLU A 45 60.636 -1.408 23.164 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.455 -1.202 23.390 1.00 0.00 O ATOM 704 OE2 GLU A 45 61.548 -0.961 23.840 1.00 0.00 O ATOM 0 H GLU A 45 63.407 -1.895 20.103 1.00 0.00 H new ATOM 0 HA GLU A 45 60.909 -3.251 19.571 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.763 -0.614 20.819 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.074 -0.966 20.513 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.259 -3.071 21.845 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.960 -2.756 22.126 1.00 0.00 H new ATOM 711 N ALA A 46 60.306 -2.272 17.369 1.00 0.00 N ATOM 712 CA ALA A 46 59.896 -1.718 16.079 1.00 0.00 C ATOM 713 C ALA A 46 59.395 -0.276 16.186 1.00 0.00 C ATOM 714 O ALA A 46 58.911 0.282 15.203 1.00 0.00 O ATOM 715 CB ALA A 46 58.774 -2.563 15.501 1.00 0.00 C ATOM 0 H ALA A 46 59.945 -3.207 17.558 1.00 0.00 H new ATOM 0 HA ALA A 46 60.778 -1.726 15.438 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.467 -2.152 14.539 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.123 -3.586 15.363 1.00 0.00 H new ATOM 0 HB3 ALA A 46 57.925 -2.558 16.185 1.00 0.00 H new ATOM 721 N ASN A 47 59.487 0.325 17.368 1.00 0.00 N ATOM 722 CA ASN A 47 59.017 1.697 17.545 1.00 0.00 C ATOM 723 C ASN A 47 60.193 2.643 17.789 1.00 0.00 C ATOM 724 O ASN A 47 60.001 3.833 18.039 1.00 0.00 O ATOM 725 CB ASN A 47 58.009 1.753 18.705 1.00 0.00 C ATOM 726 CG ASN A 47 58.461 2.738 19.781 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.496 2.450 20.522 1.00 0.00 O flip ATOM 728 ND2 ASN A 47 57.857 3.797 19.949 1.00 0.00 N flip ATOM 0 H ASN A 47 59.876 -0.107 18.206 1.00 0.00 H new ATOM 0 HA ASN A 47 58.516 2.023 16.633 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.030 2.048 18.326 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.896 0.760 19.141 1.00 0.00 H new ATOM 0 HD21 ASN A 47 57.048 4.020 19.369 1.00 0.00 H new ATOM 0 HD22 ASN A 47 58.165 4.451 20.668 1.00 0.00 H new ATOM 735 N SER A 48 61.411 2.110 17.698 1.00 0.00 N ATOM 736 CA SER A 48 62.609 2.921 17.895 1.00 0.00 C ATOM 737 C SER A 48 63.613 2.670 16.768 1.00 0.00 C ATOM 738 O SER A 48 63.841 1.528 16.372 1.00 0.00 O ATOM 739 CB SER A 48 63.245 2.582 19.245 1.00 0.00 C ATOM 740 OG SER A 48 62.857 3.557 20.204 1.00 0.00 O ATOM 0 H SER A 48 61.592 1.128 17.491 1.00 0.00 H new ATOM 0 HA SER A 48 62.328 3.974 17.883 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.930 1.590 19.570 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.331 2.558 19.153 1.00 0.00 H new ATOM 0 HG SER A 48 63.261 3.342 21.071 1.00 0.00 H new ATOM 746 N VAL A 49 64.213 3.743 16.257 1.00 0.00 N ATOM 747 CA VAL A 49 65.193 3.615 15.182 1.00 0.00 C ATOM 748 C VAL A 49 66.494 3.057 15.732 1.00 0.00 C ATOM 749 O VAL A 49 67.147 2.234 15.090 1.00 0.00 O ATOM 750 CB VAL A 49 65.439 4.970 14.526 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.194 4.772 13.210 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.092 5.639 14.247 1.00 0.00 C ATOM 0 H VAL A 49 64.040 4.700 16.566 1.00 0.00 H new ATOM 0 HA VAL A 49 64.803 2.930 14.430 1.00 0.00 H new ATOM 0 HB VAL A 49 66.033 5.599 15.189 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.369 5.741 12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.150 4.286 13.408 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.602 4.148 12.541 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.258 6.609 13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.504 5.009 13.580 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.553 5.777 15.184 1.00 0.00 H new ATOM 762 N ILE A 50 66.846 3.472 16.944 1.00 0.00 N ATOM 763 CA ILE A 50 68.030 2.974 17.586 1.00 0.00 C ATOM 764 C ILE A 50 67.931 1.463 17.573 1.00 0.00 C ATOM 765 O ILE A 50 68.908 0.742 17.370 1.00 0.00 O ATOM 766 CB ILE A 50 68.040 3.533 19.012 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.357 4.262 19.284 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.824 2.425 20.033 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.515 3.259 19.340 1.00 0.00 C ATOM 0 H ILE A 50 66.320 4.153 17.492 1.00 0.00 H new ATOM 0 HA ILE A 50 68.953 3.273 17.089 1.00 0.00 H new ATOM 0 HB ILE A 50 67.219 4.243 19.107 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.542 4.999 18.502 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.292 4.807 20.226 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.835 2.848 21.037 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.862 1.946 19.852 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.620 1.686 19.942 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.447 3.790 19.534 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.334 2.539 20.138 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.588 2.734 18.388 1.00 0.00 H new ATOM 781 N ALA A 51 66.699 1.019 17.759 1.00 0.00 N ATOM 782 CA ALA A 51 66.364 -0.380 17.744 1.00 0.00 C ATOM 783 C ALA A 51 66.822 -0.987 16.425 1.00 0.00 C ATOM 784 O ALA A 51 67.647 -1.894 16.393 1.00 0.00 O ATOM 785 CB ALA A 51 64.841 -0.498 17.893 1.00 0.00 C ATOM 0 H ALA A 51 65.901 1.632 17.926 1.00 0.00 H new ATOM 0 HA ALA A 51 66.856 -0.913 18.558 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.555 -1.550 17.885 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.531 -0.045 18.835 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.353 0.017 17.065 1.00 0.00 H new ATOM 791 N LEU A 52 66.293 -0.453 15.336 1.00 0.00 N ATOM 792 CA LEU A 52 66.650 -0.919 14.012 1.00 0.00 C ATOM 793 C LEU A 52 68.160 -0.821 13.805 1.00 0.00 C ATOM 794 O LEU A 52 68.806 -1.771 13.354 1.00 0.00 O ATOM 795 CB LEU A 52 65.908 -0.071 12.977 1.00 0.00 C ATOM 796 CG LEU A 52 64.397 -0.138 13.252 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.672 0.974 12.481 1.00 0.00 C ATOM 798 CD2 LEU A 52 63.839 -1.507 12.824 1.00 0.00 C ATOM 0 H LEU A 52 65.612 0.307 15.347 1.00 0.00 H new ATOM 0 HA LEU A 52 66.364 -1.965 13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.252 0.962 13.023 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.123 -0.434 11.972 1.00 0.00 H new ATOM 0 HG LEU A 52 64.232 -0.003 14.321 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.602 0.918 12.682 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.051 1.945 12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.847 0.850 11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.768 -1.542 13.024 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.014 -1.654 11.758 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.339 -2.296 13.386 1.00 0.00 H new ATOM 810 N LEU A 53 68.717 0.330 14.151 1.00 0.00 N ATOM 811 CA LEU A 53 70.150 0.546 14.014 1.00 0.00 C ATOM 812 C LEU A 53 70.923 -0.461 14.864 1.00 0.00 C ATOM 813 O LEU A 53 72.009 -0.905 14.490 1.00 0.00 O ATOM 814 CB LEU A 53 70.490 1.973 14.464 1.00 0.00 C ATOM 815 CG LEU A 53 71.651 2.544 13.634 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.857 1.602 13.714 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.221 2.712 12.167 1.00 0.00 C ATOM 0 H LEU A 53 68.201 1.126 14.527 1.00 0.00 H new ATOM 0 HA LEU A 53 70.434 0.411 12.970 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.613 2.611 14.358 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.758 1.972 15.521 1.00 0.00 H new ATOM 0 HG LEU A 53 71.927 3.519 14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.678 2.011 13.124 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.172 1.501 14.753 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.581 0.623 13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.051 3.117 11.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 70.933 1.743 11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.373 3.395 12.112 1.00 0.00 H new ATOM 829 N MET A 54 70.357 -0.805 16.016 1.00 0.00 N ATOM 830 CA MET A 54 71.002 -1.747 16.928 1.00 0.00 C ATOM 831 C MET A 54 71.180 -3.126 16.291 1.00 0.00 C ATOM 832 O MET A 54 72.139 -3.833 16.603 1.00 0.00 O ATOM 833 CB MET A 54 70.184 -1.884 18.214 1.00 0.00 C ATOM 834 CG MET A 54 70.854 -2.900 19.142 1.00 0.00 C ATOM 835 SD MET A 54 70.276 -2.641 20.838 1.00 0.00 S ATOM 836 CE MET A 54 71.895 -2.666 21.647 1.00 0.00 C ATOM 0 H MET A 54 69.458 -0.449 16.340 1.00 0.00 H new ATOM 0 HA MET A 54 71.990 -1.349 17.158 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.106 -0.918 18.712 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.169 -2.205 17.979 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.620 -3.914 18.818 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.938 -2.792 19.095 1.00 0.00 H new ATOM 0 HE1 MET A 54 71.768 -2.521 22.720 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.378 -3.626 21.465 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.516 -1.866 21.244 1.00 0.00 H new ATOM 846 N LEU A 55 70.266 -3.515 15.402 1.00 0.00 N ATOM 847 CA LEU A 55 70.378 -4.825 14.756 1.00 0.00 C ATOM 848 C LEU A 55 71.289 -4.729 13.539 1.00 0.00 C ATOM 849 O LEU A 55 71.717 -5.741 12.993 1.00 0.00 O ATOM 850 CB LEU A 55 69.011 -5.372 14.310 1.00 0.00 C ATOM 851 CG LEU A 55 67.866 -4.834 15.187 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.609 -4.670 14.324 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.574 -5.812 16.340 1.00 0.00 C ATOM 0 H LEU A 55 69.459 -2.959 15.117 1.00 0.00 H new ATOM 0 HA LEU A 55 70.796 -5.510 15.494 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.832 -5.098 13.270 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.023 -6.461 14.356 1.00 0.00 H new ATOM 0 HG LEU A 55 68.157 -3.872 15.608 1.00 0.00 H new ATOM 0 HD11 LEU A 55 65.793 -4.289 14.938 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.812 -3.968 13.515 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.327 -5.636 13.905 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.762 -5.420 16.953 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.285 -6.780 15.931 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.468 -5.929 16.953 1.00 0.00 H new ATOM 865 N ASP A 56 71.578 -3.503 13.121 1.00 0.00 N ATOM 866 CA ASP A 56 72.442 -3.280 11.970 1.00 0.00 C ATOM 867 C ASP A 56 73.652 -4.187 12.069 1.00 0.00 C ATOM 868 O ASP A 56 74.083 -4.778 11.078 1.00 0.00 O ATOM 869 CB ASP A 56 72.889 -1.818 11.919 1.00 0.00 C ATOM 870 CG ASP A 56 73.638 -1.547 10.618 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.010 -1.600 9.574 1.00 0.00 O ATOM 872 OD2 ASP A 56 74.829 -1.290 10.686 1.00 0.00 O ATOM 0 H ASP A 56 71.228 -2.651 13.560 1.00 0.00 H new ATOM 0 HA ASP A 56 71.890 -3.506 11.058 1.00 0.00 H new ATOM 0 HB2 ASP A 56 72.022 -1.161 11.993 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.531 -1.595 12.771 1.00 0.00 H new ATOM 877 N SER A 57 74.175 -4.323 13.281 1.00 0.00 N ATOM 878 CA SER A 57 75.309 -5.198 13.498 1.00 0.00 C ATOM 879 C SER A 57 74.941 -6.586 13.004 1.00 0.00 C ATOM 880 O SER A 57 75.788 -7.472 12.899 1.00 0.00 O ATOM 881 CB SER A 57 75.664 -5.250 14.984 1.00 0.00 C ATOM 882 OG SER A 57 74.543 -5.726 15.718 1.00 0.00 O ATOM 0 H SER A 57 73.835 -3.844 14.115 1.00 0.00 H new ATOM 0 HA SER A 57 76.176 -4.822 12.955 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.521 -5.904 15.142 1.00 0.00 H new ATOM 0 HB3 SER A 57 75.950 -4.259 15.336 1.00 0.00 H new ATOM 0 HG SER A 57 73.940 -4.979 15.915 1.00 0.00 H new ATOM 888 N ALA A 58 73.653 -6.754 12.694 1.00 0.00 N ATOM 889 CA ALA A 58 73.149 -8.034 12.195 1.00 0.00 C ATOM 890 C ALA A 58 74.184 -8.696 11.289 1.00 0.00 C ATOM 891 O ALA A 58 75.055 -9.427 11.755 1.00 0.00 O ATOM 892 CB ALA A 58 71.847 -7.812 11.418 1.00 0.00 C ATOM 0 H ALA A 58 72.945 -6.025 12.779 1.00 0.00 H new ATOM 0 HA ALA A 58 72.956 -8.689 13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.476 -8.768 11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.103 -7.364 12.076 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.035 -7.146 10.576 1.00 0.00 H new ATOM 898 N LYS A 59 74.091 -8.417 9.996 1.00 0.00 N ATOM 899 CA LYS A 59 75.026 -8.968 9.032 1.00 0.00 C ATOM 900 C LYS A 59 75.145 -10.489 9.166 1.00 0.00 C ATOM 901 O LYS A 59 76.171 -10.999 9.615 1.00 0.00 O ATOM 902 CB LYS A 59 76.392 -8.321 9.238 1.00 0.00 C ATOM 903 CG LYS A 59 76.388 -6.907 8.646 1.00 0.00 C ATOM 904 CD LYS A 59 77.801 -6.311 8.714 1.00 0.00 C ATOM 905 CE LYS A 59 78.589 -6.704 7.461 1.00 0.00 C ATOM 906 NZ LYS A 59 77.890 -6.185 6.251 1.00 0.00 N ATOM 0 H LYS A 59 73.376 -7.812 9.593 1.00 0.00 H new ATOM 0 HA LYS A 59 74.654 -8.754 8.030 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.629 -8.280 10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.166 -8.923 8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.045 -6.937 7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 59 75.690 -6.275 9.195 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.745 -5.225 8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 59 78.315 -6.670 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.600 -6.299 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.683 -7.788 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 78.592 -5.920 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.264 -6.922 5.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 77.325 -5.350 6.508 1.00 0.00 H new ATOM 920 N GLY A 60 74.097 -11.211 8.761 1.00 0.00 N ATOM 921 CA GLY A 60 74.108 -12.672 8.829 1.00 0.00 C ATOM 922 C GLY A 60 73.301 -13.177 10.016 1.00 0.00 C ATOM 923 O GLY A 60 72.440 -14.045 9.875 1.00 0.00 O ATOM 0 H GLY A 60 73.237 -10.811 8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.699 -13.084 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.136 -13.027 8.908 1.00 0.00 H new ATOM 927 N ARG A 61 73.588 -12.625 11.184 1.00 0.00 N ATOM 928 CA ARG A 61 72.900 -13.008 12.401 1.00 0.00 C ATOM 929 C ARG A 61 71.418 -13.216 12.140 1.00 0.00 C ATOM 930 O ARG A 61 70.879 -12.741 11.141 1.00 0.00 O ATOM 931 CB ARG A 61 73.104 -11.918 13.450 1.00 0.00 C ATOM 932 CG ARG A 61 74.604 -11.718 13.651 1.00 0.00 C ATOM 933 CD ARG A 61 74.849 -10.563 14.627 1.00 0.00 C ATOM 934 NE ARG A 61 76.217 -10.602 15.161 1.00 0.00 N ATOM 935 CZ ARG A 61 76.757 -11.704 15.684 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.008 -11.696 16.057 1.00 0.00 N ATOM 937 NH2 ARG A 61 76.037 -12.777 15.868 1.00 0.00 N ATOM 0 H ARG A 61 74.299 -11.905 11.312 1.00 0.00 H new ATOM 0 HA ARG A 61 73.311 -13.950 12.764 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.637 -10.988 13.126 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.630 -12.202 14.389 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.053 -12.633 14.037 1.00 0.00 H new ATOM 0 HG3 ARG A 61 75.083 -11.506 12.695 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.680 -9.613 14.120 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.133 -10.618 15.447 1.00 0.00 H new ATOM 0 HE ARG A 61 76.778 -9.750 15.131 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.567 -10.850 15.948 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.426 -12.536 16.458 1.00 0.00 H new ATOM 0 HH21 ARG A 61 75.050 -12.779 15.611 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.461 -13.613 16.269 1.00 0.00 H new ATOM 951 N GLN A 62 70.765 -13.929 13.044 1.00 0.00 N ATOM 952 CA GLN A 62 69.342 -14.197 12.907 1.00 0.00 C ATOM 953 C GLN A 62 68.550 -13.280 13.814 1.00 0.00 C ATOM 954 O GLN A 62 68.939 -13.028 14.954 1.00 0.00 O ATOM 955 CB GLN A 62 69.039 -15.654 13.261 1.00 0.00 C ATOM 956 CG GLN A 62 70.148 -16.543 12.709 1.00 0.00 C ATOM 957 CD GLN A 62 69.665 -17.987 12.611 1.00 0.00 C ATOM 958 OE1 GLN A 62 69.523 -18.521 11.511 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.404 -18.654 13.702 1.00 0.00 N ATOM 0 H GLN A 62 71.195 -14.331 13.877 1.00 0.00 H new ATOM 0 HA GLN A 62 69.054 -14.015 11.871 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.967 -15.771 14.342 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.077 -15.950 12.843 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.454 -16.187 11.726 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.024 -16.488 13.355 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.522 -18.209 14.612 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.082 -19.620 13.644 1.00 0.00 H new ATOM 968 N ILE A 63 67.437 -12.787 13.303 1.00 0.00 N ATOM 969 CA ILE A 63 66.592 -11.903 14.068 1.00 0.00 C ATOM 970 C ILE A 63 65.379 -12.652 14.554 1.00 0.00 C ATOM 971 O ILE A 63 64.881 -13.548 13.882 1.00 0.00 O ATOM 972 CB ILE A 63 66.146 -10.737 13.200 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.416 -9.698 14.056 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.200 -11.247 12.110 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.413 -8.678 14.602 1.00 0.00 C ATOM 0 H ILE A 63 67.101 -12.987 12.361 1.00 0.00 H new ATOM 0 HA ILE A 63 67.155 -11.526 14.922 1.00 0.00 H new ATOM 0 HB ILE A 63 67.022 -10.276 12.743 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.656 -9.193 13.460 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.900 -10.191 14.880 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.879 -10.412 11.487 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.718 -11.982 11.494 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.328 -11.710 12.572 1.00 0.00 H new ATOM 0 HD11 ILE A 63 65.885 -7.943 15.210 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.157 -9.188 15.214 1.00 0.00 H new ATOM 0 HD13 ILE A 63 66.909 -8.174 13.773 1.00 0.00 H new ATOM 987 N GLU A 64 64.899 -12.248 15.708 1.00 0.00 N ATOM 988 CA GLU A 64 63.716 -12.846 16.293 1.00 0.00 C ATOM 989 C GLU A 64 62.634 -11.791 16.321 1.00 0.00 C ATOM 990 O GLU A 64 62.685 -10.852 17.114 1.00 0.00 O ATOM 991 CB GLU A 64 64.027 -13.371 17.705 1.00 0.00 C ATOM 992 CG GLU A 64 63.646 -14.848 17.815 1.00 0.00 C ATOM 993 CD GLU A 64 62.134 -15.010 17.697 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.441 -14.010 17.794 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.690 -16.132 17.512 1.00 0.00 O ATOM 0 H GLU A 64 65.313 -11.501 16.266 1.00 0.00 H new ATOM 0 HA GLU A 64 63.380 -13.699 15.703 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.088 -13.244 17.923 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.478 -12.790 18.446 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.143 -15.419 17.031 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.989 -15.250 18.768 1.00 0.00 H new ATOM 1002 N VAL A 65 61.677 -11.919 15.415 1.00 0.00 N ATOM 1003 CA VAL A 65 60.619 -10.947 15.323 1.00 0.00 C ATOM 1004 C VAL A 65 59.466 -11.324 16.227 1.00 0.00 C ATOM 1005 O VAL A 65 59.109 -12.493 16.310 1.00 0.00 O ATOM 1006 CB VAL A 65 60.132 -10.886 13.876 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.673 -12.267 13.404 1.00 0.00 C ATOM 1008 CG2 VAL A 65 58.969 -9.898 13.785 1.00 0.00 C ATOM 0 H VAL A 65 61.618 -12.683 14.742 1.00 0.00 H new ATOM 0 HA VAL A 65 60.999 -9.975 15.637 1.00 0.00 H new ATOM 0 HB VAL A 65 60.952 -10.559 13.236 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.330 -12.203 12.371 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.505 -12.968 13.467 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.857 -12.615 14.037 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.614 -9.847 12.756 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.158 -10.230 14.432 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.305 -8.911 14.102 1.00 0.00 H new ATOM 1018 N GLU A 66 58.867 -10.340 16.891 1.00 0.00 N ATOM 1019 CA GLU A 66 57.724 -10.641 17.743 1.00 0.00 C ATOM 1020 C GLU A 66 56.673 -9.540 17.649 1.00 0.00 C ATOM 1021 O GLU A 66 56.924 -8.415 18.070 1.00 0.00 O ATOM 1022 CB GLU A 66 58.150 -10.799 19.202 1.00 0.00 C ATOM 1023 CG GLU A 66 56.898 -10.923 20.077 1.00 0.00 C ATOM 1024 CD GLU A 66 57.265 -11.503 21.439 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.736 -10.749 22.274 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.068 -12.692 21.627 1.00 0.00 O ATOM 0 H GLU A 66 59.143 -9.359 16.859 1.00 0.00 H new ATOM 0 HA GLU A 66 57.298 -11.581 17.392 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.779 -11.682 19.317 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.745 -9.941 19.515 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.435 -9.944 20.203 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.164 -11.563 19.587 1.00 0.00 H new ATOM 1033 N ALA A 67 55.493 -9.872 17.110 1.00 0.00 N ATOM 1034 CA ALA A 67 54.411 -8.901 16.971 1.00 0.00 C ATOM 1035 C ALA A 67 53.246 -9.262 17.881 1.00 0.00 C ATOM 1036 O ALA A 67 53.016 -10.435 18.168 1.00 0.00 O ATOM 1037 CB ALA A 67 53.975 -8.860 15.509 1.00 0.00 C ATOM 0 H ALA A 67 55.268 -10.805 16.765 1.00 0.00 H new ATOM 0 HA ALA A 67 54.761 -7.913 17.270 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.167 -8.138 15.390 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.819 -8.565 14.886 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.627 -9.847 15.205 1.00 0.00 H new ATOM 1043 N THR A 68 52.526 -8.246 18.368 1.00 0.00 N ATOM 1044 CA THR A 68 51.416 -8.500 19.268 1.00 0.00 C ATOM 1045 C THR A 68 50.335 -7.420 19.177 1.00 0.00 C ATOM 1046 O THR A 68 50.477 -6.336 19.743 1.00 0.00 O ATOM 1047 CB THR A 68 51.942 -8.545 20.700 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.995 -9.492 20.789 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.811 -8.936 21.642 1.00 0.00 C ATOM 0 H THR A 68 52.693 -7.263 18.155 1.00 0.00 H new ATOM 0 HA THR A 68 50.966 -9.450 18.979 1.00 0.00 H new ATOM 0 HB THR A 68 52.321 -7.563 20.982 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.333 -9.519 21.708 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.185 -8.969 22.665 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.009 -8.201 21.572 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.429 -9.918 21.364 1.00 0.00 H new ATOM 1057 N GLY A 69 49.246 -7.740 18.489 1.00 0.00 N ATOM 1058 CA GLY A 69 48.123 -6.814 18.351 1.00 0.00 C ATOM 1059 C GLY A 69 47.166 -7.272 17.251 1.00 0.00 C ATOM 1060 O GLY A 69 47.409 -8.261 16.571 1.00 0.00 O ATOM 0 H GLY A 69 49.114 -8.634 18.016 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.587 -6.743 19.298 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.496 -5.816 18.121 1.00 0.00 H new ATOM 1064 N PRO A 70 46.085 -6.579 17.068 1.00 0.00 N ATOM 1065 CA PRO A 70 45.074 -6.924 16.031 1.00 0.00 C ATOM 1066 C PRO A 70 45.676 -7.464 14.736 1.00 0.00 C ATOM 1067 O PRO A 70 45.253 -8.508 14.239 1.00 0.00 O ATOM 1068 CB PRO A 70 44.387 -5.589 15.799 1.00 0.00 C ATOM 1069 CG PRO A 70 44.372 -4.958 17.149 1.00 0.00 C ATOM 1070 CD PRO A 70 45.681 -5.382 17.828 1.00 0.00 C ATOM 0 HA PRO A 70 44.414 -7.729 16.355 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.931 -4.979 15.078 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.378 -5.721 15.408 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.306 -3.873 17.072 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.508 -5.290 17.725 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.435 -4.597 17.773 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.532 -5.607 18.884 1.00 0.00 H new ATOM 1078 N GLN A 71 46.637 -6.737 14.175 1.00 0.00 N ATOM 1079 CA GLN A 71 47.253 -7.158 12.904 1.00 0.00 C ATOM 1080 C GLN A 71 48.768 -7.377 13.020 1.00 0.00 C ATOM 1081 O GLN A 71 49.535 -6.951 12.157 1.00 0.00 O ATOM 1082 CB GLN A 71 46.962 -6.107 11.825 1.00 0.00 C ATOM 1083 CG GLN A 71 45.536 -6.289 11.296 1.00 0.00 C ATOM 1084 CD GLN A 71 44.529 -5.934 12.384 1.00 0.00 C ATOM 1085 OE1 GLN A 71 43.814 -6.805 12.878 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.432 -4.697 12.790 1.00 0.00 N ATOM 0 H GLN A 71 47.006 -5.869 14.564 1.00 0.00 H new ATOM 0 HA GLN A 71 46.813 -8.118 12.632 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.082 -5.105 12.238 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.678 -6.203 11.009 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.379 -5.656 10.423 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.387 -7.319 10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.026 -3.977 12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.762 -4.450 13.519 1.00 0.00 H new ATOM 1095 N GLU A 72 49.187 -8.058 14.077 1.00 0.00 N ATOM 1096 CA GLU A 72 50.604 -8.349 14.295 1.00 0.00 C ATOM 1097 C GLU A 72 51.152 -9.299 13.252 1.00 0.00 C ATOM 1098 O GLU A 72 52.292 -9.164 12.815 1.00 0.00 O ATOM 1099 CB GLU A 72 50.774 -8.982 15.685 1.00 0.00 C ATOM 1100 CG GLU A 72 49.498 -9.728 16.060 1.00 0.00 C ATOM 1101 CD GLU A 72 49.776 -10.762 17.143 1.00 0.00 C ATOM 1102 OE1 GLU A 72 48.822 -11.293 17.686 1.00 0.00 O ATOM 1103 OE2 GLU A 72 50.935 -11.007 17.413 1.00 0.00 O ATOM 0 H GLU A 72 48.567 -8.422 14.801 1.00 0.00 H new ATOM 0 HA GLU A 72 51.157 -7.412 14.221 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.622 -9.667 15.684 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.988 -8.211 16.425 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.747 -9.020 16.411 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.086 -10.219 15.179 1.00 0.00 H new ATOM 1110 N GLU A 73 50.351 -10.263 12.876 1.00 0.00 N ATOM 1111 CA GLU A 73 50.787 -11.244 11.903 1.00 0.00 C ATOM 1112 C GLU A 73 51.142 -10.579 10.591 1.00 0.00 C ATOM 1113 O GLU A 73 52.248 -10.746 10.089 1.00 0.00 O ATOM 1114 CB GLU A 73 49.691 -12.290 11.675 1.00 0.00 C ATOM 1115 CG GLU A 73 49.548 -13.176 12.923 1.00 0.00 C ATOM 1116 CD GLU A 73 49.729 -14.646 12.552 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.946 -15.456 13.022 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.646 -14.939 11.803 1.00 0.00 O ATOM 0 H GLU A 73 49.401 -10.393 13.222 1.00 0.00 H new ATOM 0 HA GLU A 73 51.676 -11.738 12.295 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.744 -11.796 11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.936 -12.904 10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.289 -12.888 13.669 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.567 -13.026 13.374 1.00 0.00 H new ATOM 1125 N GLU A 74 50.211 -9.819 10.044 1.00 0.00 N ATOM 1126 CA GLU A 74 50.461 -9.143 8.785 1.00 0.00 C ATOM 1127 C GLU A 74 51.708 -8.270 8.900 1.00 0.00 C ATOM 1128 O GLU A 74 52.583 -8.283 8.035 1.00 0.00 O ATOM 1129 CB GLU A 74 49.256 -8.288 8.407 1.00 0.00 C ATOM 1130 CG GLU A 74 49.477 -7.726 7.010 1.00 0.00 C ATOM 1131 CD GLU A 74 49.445 -8.850 5.981 1.00 0.00 C ATOM 1132 OE1 GLU A 74 48.364 -9.343 5.705 1.00 0.00 O ATOM 1133 OE2 GLU A 74 50.503 -9.202 5.484 1.00 0.00 O ATOM 0 H GLU A 74 49.287 -9.656 10.445 1.00 0.00 H new ATOM 0 HA GLU A 74 50.624 -9.889 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 74 48.345 -8.886 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.127 -7.478 9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.707 -6.990 6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 74 50.435 -7.209 6.965 1.00 0.00 H new ATOM 1140 N ALA A 75 51.761 -7.518 9.985 1.00 0.00 N ATOM 1141 CA ALA A 75 52.879 -6.622 10.262 1.00 0.00 C ATOM 1142 C ALA A 75 54.192 -7.380 10.266 1.00 0.00 C ATOM 1143 O ALA A 75 55.084 -7.083 9.481 1.00 0.00 O ATOM 1144 CB ALA A 75 52.661 -5.945 11.630 1.00 0.00 C ATOM 0 H ALA A 75 51.034 -7.508 10.700 1.00 0.00 H new ATOM 0 HA ALA A 75 52.925 -5.866 9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.494 -5.275 11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.732 -5.375 11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.602 -6.707 12.408 1.00 0.00 H new ATOM 1150 N LEU A 76 54.289 -8.368 11.135 1.00 0.00 N ATOM 1151 CA LEU A 76 55.482 -9.189 11.237 1.00 0.00 C ATOM 1152 C LEU A 76 55.659 -9.989 9.953 1.00 0.00 C ATOM 1153 O LEU A 76 56.776 -10.278 9.529 1.00 0.00 O ATOM 1154 CB LEU A 76 55.297 -10.107 12.451 1.00 0.00 C ATOM 1155 CG LEU A 76 55.903 -11.500 12.224 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.028 -12.217 13.578 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.998 -12.332 11.295 1.00 0.00 C ATOM 0 H LEU A 76 53.548 -8.624 11.787 1.00 0.00 H new ATOM 0 HA LEU A 76 56.378 -8.583 11.369 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.761 -9.649 13.325 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.234 -10.207 12.670 1.00 0.00 H new ATOM 0 HG LEU A 76 56.884 -11.392 11.760 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.457 -13.207 13.427 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.674 -11.638 14.238 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.041 -12.315 14.030 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.440 -13.317 11.143 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.013 -12.442 11.749 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.900 -11.826 10.334 1.00 0.00 H new ATOM 1169 N ALA A 77 54.535 -10.330 9.344 1.00 0.00 N ATOM 1170 CA ALA A 77 54.529 -11.094 8.103 1.00 0.00 C ATOM 1171 C ALA A 77 54.918 -10.215 6.919 1.00 0.00 C ATOM 1172 O ALA A 77 55.359 -10.713 5.883 1.00 0.00 O ATOM 1173 CB ALA A 77 53.123 -11.637 7.871 1.00 0.00 C ATOM 0 H ALA A 77 53.607 -10.088 9.691 1.00 0.00 H new ATOM 0 HA ALA A 77 55.252 -11.906 8.187 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.103 -12.212 6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.840 -12.281 8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.420 -10.807 7.798 1.00 0.00 H new ATOM 1179 N ALA A 78 54.750 -8.908 7.079 1.00 0.00 N ATOM 1180 CA ALA A 78 55.085 -7.969 6.015 1.00 0.00 C ATOM 1181 C ALA A 78 56.583 -7.706 6.027 1.00 0.00 C ATOM 1182 O ALA A 78 57.220 -7.568 4.978 1.00 0.00 O ATOM 1183 CB ALA A 78 54.311 -6.659 6.207 1.00 0.00 C ATOM 0 H ALA A 78 54.387 -8.476 7.929 1.00 0.00 H new ATOM 0 HA ALA A 78 54.805 -8.397 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.568 -5.964 5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.240 -6.862 6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.574 -6.219 7.169 1.00 0.00 H new ATOM 1189 N VAL A 79 57.145 -7.683 7.226 1.00 0.00 N ATOM 1190 CA VAL A 79 58.570 -7.480 7.381 1.00 0.00 C ATOM 1191 C VAL A 79 59.275 -8.724 6.886 1.00 0.00 C ATOM 1192 O VAL A 79 60.237 -8.657 6.132 1.00 0.00 O ATOM 1193 CB VAL A 79 58.906 -7.247 8.862 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.623 -7.001 9.636 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.596 -8.482 9.434 1.00 0.00 C ATOM 0 H VAL A 79 56.635 -7.802 8.101 1.00 0.00 H new ATOM 0 HA VAL A 79 58.892 -6.608 6.811 1.00 0.00 H new ATOM 0 HB VAL A 79 59.566 -6.384 8.948 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.858 -6.835 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.119 -6.122 9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.970 -7.869 9.543 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.833 -8.313 10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.933 -9.343 9.345 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.516 -8.674 8.881 1.00 0.00 H new ATOM 1205 N ILE A 80 58.769 -9.863 7.335 1.00 0.00 N ATOM 1206 CA ILE A 80 59.322 -11.141 6.962 1.00 0.00 C ATOM 1207 C ILE A 80 59.502 -11.191 5.480 1.00 0.00 C ATOM 1208 O ILE A 80 60.613 -11.336 4.990 1.00 0.00 O ATOM 1209 CB ILE A 80 58.388 -12.227 7.460 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.607 -12.331 8.974 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.681 -13.559 6.754 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.365 -13.606 9.319 1.00 0.00 C ATOM 0 H ILE A 80 57.968 -9.920 7.964 1.00 0.00 H new ATOM 0 HA ILE A 80 60.302 -11.294 7.414 1.00 0.00 H new ATOM 0 HB ILE A 80 57.347 -11.987 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.164 -11.463 9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.646 -12.323 9.488 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.000 -14.325 7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.542 -13.440 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.709 -13.859 6.955 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.511 -13.662 10.398 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.793 -14.471 8.985 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.335 -13.599 8.822 1.00 0.00 H new ATOM 1224 N ALA A 81 58.424 -11.012 4.759 1.00 0.00 N ATOM 1225 CA ALA A 81 58.542 -10.988 3.325 1.00 0.00 C ATOM 1226 C ALA A 81 59.686 -10.065 2.977 1.00 0.00 C ATOM 1227 O ALA A 81 60.315 -10.198 1.927 1.00 0.00 O ATOM 1228 CB ALA A 81 57.267 -10.469 2.690 1.00 0.00 C ATOM 0 H ALA A 81 57.482 -10.884 5.128 1.00 0.00 H new ATOM 0 HA ALA A 81 58.720 -11.996 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.378 -10.459 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.434 -11.117 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.070 -9.457 3.044 1.00 0.00 H new ATOM 1234 N LEU A 82 59.981 -9.143 3.898 1.00 0.00 N ATOM 1235 CA LEU A 82 61.086 -8.235 3.690 1.00 0.00 C ATOM 1236 C LEU A 82 62.335 -8.833 4.308 1.00 0.00 C ATOM 1237 O LEU A 82 63.412 -8.812 3.713 1.00 0.00 O ATOM 1238 CB LEU A 82 60.787 -6.863 4.299 1.00 0.00 C ATOM 1239 CG LEU A 82 61.434 -5.782 3.433 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.937 -6.068 3.310 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.787 -5.779 2.037 1.00 0.00 C ATOM 0 H LEU A 82 59.475 -9.015 4.774 1.00 0.00 H new ATOM 0 HA LEU A 82 61.240 -8.093 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.710 -6.704 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.173 -6.811 5.317 1.00 0.00 H new ATOM 0 HG LEU A 82 61.286 -4.806 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.404 -5.300 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.391 -6.063 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.085 -7.044 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.251 -5.007 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.931 -6.752 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.720 -5.576 2.131 1.00 0.00 H new ATOM 1253 N PHE A 83 62.174 -9.395 5.500 1.00 0.00 N ATOM 1254 CA PHE A 83 63.287 -10.023 6.171 1.00 0.00 C ATOM 1255 C PHE A 83 63.709 -11.225 5.355 1.00 0.00 C ATOM 1256 O PHE A 83 64.891 -11.553 5.251 1.00 0.00 O ATOM 1257 CB PHE A 83 62.908 -10.436 7.584 1.00 0.00 C ATOM 1258 CG PHE A 83 62.956 -9.246 8.513 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.167 -9.457 9.877 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.792 -7.937 8.025 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.217 -8.375 10.753 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.843 -6.857 8.907 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.056 -7.078 10.269 1.00 0.00 C ATOM 0 H PHE A 83 61.291 -9.425 6.011 1.00 0.00 H new ATOM 0 HA PHE A 83 64.115 -9.319 6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.907 -10.867 7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.589 -11.209 7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.292 -10.461 10.254 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.627 -7.768 6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.381 -8.541 11.808 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.718 -5.850 8.536 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.096 -6.241 10.950 1.00 0.00 H new ATOM 1273 N ASN A 84 62.715 -11.840 4.737 1.00 0.00 N ATOM 1274 CA ASN A 84 62.934 -12.973 3.870 1.00 0.00 C ATOM 1275 C ASN A 84 63.321 -12.438 2.517 1.00 0.00 C ATOM 1276 O ASN A 84 63.832 -13.144 1.648 1.00 0.00 O ATOM 1277 CB ASN A 84 61.640 -13.778 3.761 1.00 0.00 C ATOM 1278 CG ASN A 84 61.927 -15.275 3.824 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.780 -15.777 3.093 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.259 -16.020 4.662 1.00 0.00 N ATOM 0 H ASN A 84 61.737 -11.564 4.825 1.00 0.00 H new ATOM 0 HA ASN A 84 63.718 -13.622 4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.963 -13.498 4.568 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.135 -13.539 2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.443 -17.022 4.713 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.553 -15.600 5.266 1.00 0.00 H new ATOM 1287 N SER A 85 63.052 -11.161 2.381 1.00 0.00 N ATOM 1288 CA SER A 85 63.342 -10.435 1.149 1.00 0.00 C ATOM 1289 C SER A 85 62.393 -10.867 0.035 1.00 0.00 C ATOM 1290 O SER A 85 62.276 -10.135 -0.934 1.00 0.00 O ATOM 1291 CB SER A 85 64.789 -10.688 0.721 1.00 0.00 C ATOM 1292 OG SER A 85 65.225 -9.621 -0.112 1.00 0.00 O ATOM 1293 OXT SER A 85 61.798 -11.924 0.167 1.00 0.00 O ATOM 0 H SER A 85 62.628 -10.591 3.113 1.00 0.00 H new ATOM 0 HA SER A 85 63.201 -9.370 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.432 -10.766 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.862 -11.635 0.187 1.00 0.00 H new ATOM 0 HG SER A 85 64.488 -9.337 -0.693 1.00 0.00 H new