USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 724 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -28:sc= -1.95! USER MOD Set 1.2: A 57 GLN : amide:sc= -3.66! C(o=-5.6!,f=-9.7!) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.09 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 63:sc= 0.00477 USER MOD Single : A 5 SER OG : rot 60:sc= 0.0398 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -84:sc= 0.551 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-4.9!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 170:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= 1.25 (180deg=0.825) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -133:sc= 0.327 (180deg=0) USER MOD Single : A 47 HIS :FLIP no HE2:sc= -0.981 F(o=-3.4!,f=-0.98) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 140:sc= -0.876 (180deg=-2.82!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -132:sc= -1.39 (180deg=-3.74!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 32:sc= 1.08 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -141:sc= 0 (180deg=-1.23) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -8:sc= 0.997 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.301 -21.150 -23.507 1.00 0.00 N ATOM 2 CA GLY A 1 8.509 -20.244 -24.321 1.00 0.00 C ATOM 3 C GLY A 1 9.158 -18.860 -24.391 1.00 0.00 C ATOM 4 O GLY A 1 10.323 -18.698 -24.031 1.00 0.00 O ATOM 0 H1 GLY A 1 9.571 -21.979 -24.073 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.158 -20.661 -23.177 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.741 -21.459 -22.687 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.403 -20.651 -25.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.505 -20.158 -23.904 1.00 0.00 H new ATOM 8 N SER A 2 8.376 -17.898 -24.857 1.00 0.00 N ATOM 9 CA SER A 2 8.859 -16.533 -24.978 1.00 0.00 C ATOM 10 C SER A 2 7.708 -15.549 -24.763 1.00 0.00 C ATOM 11 O SER A 2 6.542 -15.910 -24.913 1.00 0.00 O ATOM 12 CB SER A 2 9.510 -16.299 -26.343 1.00 0.00 C ATOM 13 OG SER A 2 8.595 -16.511 -27.414 1.00 0.00 O ATOM 0 H SER A 2 7.411 -18.037 -25.156 1.00 0.00 H new ATOM 0 HA SER A 2 9.616 -16.369 -24.211 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.895 -15.280 -26.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.363 -16.968 -26.457 1.00 0.00 H new ATOM 0 HG SER A 2 9.048 -16.350 -28.268 1.00 0.00 H new ATOM 19 N SER A 3 8.076 -14.324 -24.416 1.00 0.00 N ATOM 20 CA SER A 3 7.088 -13.285 -24.179 1.00 0.00 C ATOM 21 C SER A 3 7.787 -11.968 -23.834 1.00 0.00 C ATOM 22 O SER A 3 8.986 -11.950 -23.561 1.00 0.00 O ATOM 23 CB SER A 3 6.126 -13.685 -23.058 1.00 0.00 C ATOM 24 OG SER A 3 4.788 -13.825 -23.528 1.00 0.00 O ATOM 0 H SER A 3 9.044 -14.028 -24.293 1.00 0.00 H new ATOM 0 HA SER A 3 6.505 -13.152 -25.091 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.455 -14.625 -22.616 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.156 -12.934 -22.269 1.00 0.00 H new ATOM 0 HG SER A 3 4.746 -14.553 -24.183 1.00 0.00 H new ATOM 30 N GLY A 4 7.007 -10.897 -23.859 1.00 0.00 N ATOM 31 CA GLY A 4 7.535 -9.579 -23.553 1.00 0.00 C ATOM 32 C GLY A 4 6.450 -8.509 -23.683 1.00 0.00 C ATOM 33 O GLY A 4 5.495 -8.677 -24.440 1.00 0.00 O ATOM 0 H GLY A 4 6.013 -10.916 -24.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.939 -9.571 -22.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.360 -9.349 -24.227 1.00 0.00 H new ATOM 37 N SER A 5 6.632 -7.432 -22.933 1.00 0.00 N ATOM 38 CA SER A 5 5.680 -6.334 -22.956 1.00 0.00 C ATOM 39 C SER A 5 6.166 -5.201 -22.050 1.00 0.00 C ATOM 40 O SER A 5 6.787 -5.450 -21.017 1.00 0.00 O ATOM 41 CB SER A 5 4.290 -6.802 -22.521 1.00 0.00 C ATOM 42 OG SER A 5 3.349 -6.744 -23.589 1.00 0.00 O ATOM 0 H SER A 5 7.425 -7.296 -22.306 1.00 0.00 H new ATOM 0 HA SER A 5 5.607 -5.966 -23.979 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.352 -7.824 -22.148 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.940 -6.182 -21.696 1.00 0.00 H new ATOM 0 HG SER A 5 3.647 -7.325 -24.320 1.00 0.00 H new ATOM 48 N SER A 6 5.866 -3.981 -22.469 1.00 0.00 N ATOM 49 CA SER A 6 6.265 -2.809 -21.708 1.00 0.00 C ATOM 50 C SER A 6 5.327 -1.640 -22.019 1.00 0.00 C ATOM 51 O SER A 6 4.770 -1.560 -23.112 1.00 0.00 O ATOM 52 CB SER A 6 7.714 -2.422 -22.011 1.00 0.00 C ATOM 53 OG SER A 6 8.297 -1.667 -20.953 1.00 0.00 O ATOM 0 H SER A 6 5.351 -3.778 -23.326 1.00 0.00 H new ATOM 0 HA SER A 6 6.197 -3.050 -20.647 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.302 -3.324 -22.180 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.749 -1.841 -22.933 1.00 0.00 H new ATOM 0 HG SER A 6 9.222 -1.441 -21.184 1.00 0.00 H new ATOM 59 N GLY A 7 5.183 -0.762 -21.037 1.00 0.00 N ATOM 60 CA GLY A 7 4.323 0.399 -21.191 1.00 0.00 C ATOM 61 C GLY A 7 3.468 0.618 -19.942 1.00 0.00 C ATOM 62 O GLY A 7 2.974 -0.339 -19.348 1.00 0.00 O ATOM 0 H GLY A 7 5.648 -0.831 -20.132 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.931 1.284 -21.379 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.677 0.265 -22.059 1.00 0.00 H new ATOM 66 N ASP A 8 3.319 1.884 -19.580 1.00 0.00 N ATOM 67 CA ASP A 8 2.533 2.241 -18.412 1.00 0.00 C ATOM 68 C ASP A 8 2.591 3.756 -18.207 1.00 0.00 C ATOM 69 O ASP A 8 3.425 4.435 -18.804 1.00 0.00 O ATOM 70 CB ASP A 8 3.084 1.572 -17.151 1.00 0.00 C ATOM 71 CG ASP A 8 2.047 1.293 -16.061 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.408 0.222 -16.147 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.917 2.157 -15.167 1.00 0.00 O ATOM 0 H ASP A 8 3.730 2.675 -20.076 1.00 0.00 H new ATOM 0 HA ASP A 8 1.509 1.906 -18.580 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.554 0.630 -17.434 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.866 2.206 -16.734 1.00 0.00 H new ATOM 78 N ALA A 9 1.694 4.241 -17.361 1.00 0.00 N ATOM 79 CA ALA A 9 1.633 5.664 -17.070 1.00 0.00 C ATOM 80 C ALA A 9 1.703 5.873 -15.556 1.00 0.00 C ATOM 81 O ALA A 9 1.139 5.094 -14.790 1.00 0.00 O ATOM 82 CB ALA A 9 0.361 6.256 -17.681 1.00 0.00 C ATOM 0 H ALA A 9 1.004 3.675 -16.868 1.00 0.00 H new ATOM 0 HA ALA A 9 2.481 6.184 -17.515 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.315 7.323 -17.463 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.372 6.106 -18.761 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.512 5.761 -17.255 1.00 0.00 H new ATOM 88 N GLY A 10 2.402 6.931 -15.169 1.00 0.00 N ATOM 89 CA GLY A 10 2.554 7.253 -13.761 1.00 0.00 C ATOM 90 C GLY A 10 2.435 8.761 -13.527 1.00 0.00 C ATOM 91 O GLY A 10 2.303 9.531 -14.477 1.00 0.00 O ATOM 0 H GLY A 10 2.869 7.576 -15.807 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.794 6.730 -13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.523 6.902 -13.407 1.00 0.00 H new ATOM 95 N GLY A 11 2.486 9.136 -12.258 1.00 0.00 N ATOM 96 CA GLY A 11 2.385 10.538 -11.887 1.00 0.00 C ATOM 97 C GLY A 11 3.097 10.806 -10.560 1.00 0.00 C ATOM 98 O GLY A 11 2.729 10.244 -9.529 1.00 0.00 O ATOM 0 H GLY A 11 2.596 8.494 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.822 11.158 -12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.336 10.822 -11.805 1.00 0.00 H new ATOM 102 N GLY A 12 4.103 11.666 -10.627 1.00 0.00 N ATOM 103 CA GLY A 12 4.869 12.016 -9.444 1.00 0.00 C ATOM 104 C GLY A 12 6.097 12.850 -9.812 1.00 0.00 C ATOM 105 O GLY A 12 7.017 12.355 -10.462 1.00 0.00 O ATOM 0 H GLY A 12 4.405 12.131 -11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.240 12.575 -8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.183 11.109 -8.928 1.00 0.00 H new ATOM 109 N VAL A 13 6.073 14.103 -9.381 1.00 0.00 N ATOM 110 CA VAL A 13 7.173 15.011 -9.658 1.00 0.00 C ATOM 111 C VAL A 13 8.341 14.691 -8.722 1.00 0.00 C ATOM 112 O VAL A 13 8.134 14.226 -7.603 1.00 0.00 O ATOM 113 CB VAL A 13 6.696 16.461 -9.545 1.00 0.00 C ATOM 114 CG1 VAL A 13 6.018 16.711 -8.197 1.00 0.00 C ATOM 115 CG2 VAL A 13 7.853 17.437 -9.767 1.00 0.00 C ATOM 0 H VAL A 13 5.309 14.511 -8.842 1.00 0.00 H new ATOM 0 HA VAL A 13 7.529 14.879 -10.680 1.00 0.00 H new ATOM 0 HB VAL A 13 5.958 16.633 -10.328 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.688 17.749 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.157 16.051 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.725 16.512 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.487 18.460 -9.681 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.624 17.263 -9.017 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.273 17.284 -10.761 1.00 0.00 H new ATOM 125 N GLY A 14 9.542 14.954 -9.215 1.00 0.00 N ATOM 126 CA GLY A 14 10.742 14.700 -8.437 1.00 0.00 C ATOM 127 C GLY A 14 11.585 13.593 -9.074 1.00 0.00 C ATOM 128 O GLY A 14 12.449 13.866 -9.906 1.00 0.00 O ATOM 0 H GLY A 14 9.710 15.341 -10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.332 15.614 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.468 14.414 -7.422 1.00 0.00 H new ATOM 132 N LYS A 15 11.303 12.366 -8.660 1.00 0.00 N ATOM 133 CA LYS A 15 12.024 11.217 -9.180 1.00 0.00 C ATOM 134 C LYS A 15 11.025 10.124 -9.564 1.00 0.00 C ATOM 135 O LYS A 15 9.920 10.419 -10.017 1.00 0.00 O ATOM 136 CB LYS A 15 13.087 10.754 -8.181 1.00 0.00 C ATOM 137 CG LYS A 15 12.441 10.177 -6.920 1.00 0.00 C ATOM 138 CD LYS A 15 13.303 10.454 -5.687 1.00 0.00 C ATOM 139 CE LYS A 15 14.409 9.406 -5.545 1.00 0.00 C ATOM 140 NZ LYS A 15 14.005 8.353 -4.586 1.00 0.00 N ATOM 0 H LYS A 15 10.585 12.143 -7.971 1.00 0.00 H new ATOM 0 HA LYS A 15 12.566 11.487 -10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.723 10.001 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.729 11.593 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.452 10.613 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.302 9.102 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.746 11.447 -5.764 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.678 10.452 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.622 8.959 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.328 9.883 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.767 7.650 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.824 8.781 -3.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.140 7.887 -4.926 1.00 0.00 H new ATOM 154 N GLU A 16 11.448 8.884 -9.368 1.00 0.00 N ATOM 155 CA GLU A 16 10.604 7.745 -9.688 1.00 0.00 C ATOM 156 C GLU A 16 9.890 7.244 -8.431 1.00 0.00 C ATOM 157 O GLU A 16 10.461 7.259 -7.341 1.00 0.00 O ATOM 158 CB GLU A 16 11.417 6.626 -10.340 1.00 0.00 C ATOM 159 CG GLU A 16 11.259 6.647 -11.862 1.00 0.00 C ATOM 160 CD GLU A 16 12.490 6.055 -12.550 1.00 0.00 C ATOM 161 OE1 GLU A 16 12.927 4.974 -12.100 1.00 0.00 O ATOM 162 OE2 GLU A 16 12.967 6.697 -13.511 1.00 0.00 O ATOM 0 H GLU A 16 12.365 8.643 -8.991 1.00 0.00 H new ATOM 0 HA GLU A 16 9.850 8.067 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.469 6.737 -10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.092 5.661 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.372 6.081 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.106 7.672 -12.201 1.00 0.00 H new ATOM 169 N LEU A 17 8.653 6.811 -8.625 1.00 0.00 N ATOM 170 CA LEU A 17 7.855 6.306 -7.520 1.00 0.00 C ATOM 171 C LEU A 17 8.740 5.457 -6.604 1.00 0.00 C ATOM 172 O LEU A 17 9.738 4.893 -7.049 1.00 0.00 O ATOM 173 CB LEU A 17 6.623 5.566 -8.044 1.00 0.00 C ATOM 174 CG LEU A 17 5.771 6.322 -9.065 1.00 0.00 C ATOM 175 CD1 LEU A 17 5.773 7.824 -8.777 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.224 6.011 -10.494 1.00 0.00 C ATOM 0 H LEU A 17 8.184 6.799 -9.531 1.00 0.00 H new ATOM 0 HA LEU A 17 7.471 7.130 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.951 4.630 -8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.991 5.306 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 17 4.741 5.979 -8.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.160 8.337 -9.518 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.367 8.004 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.794 8.203 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.602 6.561 -11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.265 6.309 -10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.128 4.942 -10.682 1.00 0.00 H new ATOM 188 N VAL A 18 8.341 5.394 -5.343 1.00 0.00 N ATOM 189 CA VAL A 18 9.085 4.623 -4.361 1.00 0.00 C ATOM 190 C VAL A 18 8.525 3.200 -4.305 1.00 0.00 C ATOM 191 O VAL A 18 7.337 2.986 -4.543 1.00 0.00 O ATOM 192 CB VAL A 18 9.051 5.332 -3.005 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.612 5.619 -2.572 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.791 4.517 -1.942 1.00 0.00 C ATOM 0 H VAL A 18 7.512 5.864 -4.978 1.00 0.00 H new ATOM 0 HA VAL A 18 10.134 4.549 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 18 9.565 6.287 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.617 6.123 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.130 6.258 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.063 4.681 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.752 5.043 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.318 3.540 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.831 4.386 -2.242 1.00 0.00 H new ATOM 204 N ASP A 19 9.408 2.263 -3.990 1.00 0.00 N ATOM 205 CA ASP A 19 9.017 0.867 -3.900 1.00 0.00 C ATOM 206 C ASP A 19 8.426 0.595 -2.515 1.00 0.00 C ATOM 207 O ASP A 19 8.967 1.044 -1.506 1.00 0.00 O ATOM 208 CB ASP A 19 10.222 -0.056 -4.089 1.00 0.00 C ATOM 209 CG ASP A 19 10.575 -0.369 -5.545 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.625 -0.603 -6.322 1.00 0.00 O ATOM 211 OD2 ASP A 19 11.788 -0.366 -5.848 1.00 0.00 O ATOM 0 H ASP A 19 10.393 2.444 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 19 8.286 0.671 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.089 0.400 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.028 -0.994 -3.568 1.00 0.00 H new ATOM 216 N LEU A 20 7.323 -0.140 -2.511 1.00 0.00 N ATOM 217 CA LEU A 20 6.653 -0.477 -1.267 1.00 0.00 C ATOM 218 C LEU A 20 6.082 -1.893 -1.368 1.00 0.00 C ATOM 219 O LEU A 20 5.662 -2.322 -2.441 1.00 0.00 O ATOM 220 CB LEU A 20 5.608 0.584 -0.917 1.00 0.00 C ATOM 221 CG LEU A 20 6.130 2.015 -0.764 1.00 0.00 C ATOM 222 CD1 LEU A 20 4.975 3.003 -0.587 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.145 2.110 0.376 1.00 0.00 C ATOM 0 H LEU A 20 6.877 -0.511 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 20 7.363 -0.477 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.841 0.579 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.123 0.294 0.015 1.00 0.00 H new ATOM 0 HG LEU A 20 6.651 2.289 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.373 4.012 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.323 2.960 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.406 2.741 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.500 3.137 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.672 1.809 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.988 1.451 0.168 1.00 0.00 H new ATOM 235 N LYS A 21 6.085 -2.579 -0.234 1.00 0.00 N ATOM 236 CA LYS A 21 5.572 -3.938 -0.182 1.00 0.00 C ATOM 237 C LYS A 21 4.168 -3.925 0.426 1.00 0.00 C ATOM 238 O LYS A 21 3.984 -3.501 1.566 1.00 0.00 O ATOM 239 CB LYS A 21 6.552 -4.852 0.555 1.00 0.00 C ATOM 240 CG LYS A 21 7.201 -5.850 -0.407 1.00 0.00 C ATOM 241 CD LYS A 21 8.585 -6.270 0.090 1.00 0.00 C ATOM 242 CE LYS A 21 9.018 -7.593 -0.545 1.00 0.00 C ATOM 243 NZ LYS A 21 9.839 -8.379 0.402 1.00 0.00 N ATOM 0 H LYS A 21 6.434 -2.220 0.655 1.00 0.00 H new ATOM 0 HA LYS A 21 5.481 -4.350 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.324 -4.251 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.029 -5.391 1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.565 -6.729 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.287 -5.403 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.312 -5.493 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.570 -6.371 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.139 -8.168 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.587 -7.398 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.124 -9.274 -0.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.687 -7.835 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.284 -8.581 1.258 1.00 0.00 H new ATOM 257 N ILE A 22 3.212 -4.396 -0.362 1.00 0.00 N ATOM 258 CA ILE A 22 1.830 -4.444 0.084 1.00 0.00 C ATOM 259 C ILE A 22 1.633 -5.662 0.988 1.00 0.00 C ATOM 260 O ILE A 22 1.202 -6.718 0.527 1.00 0.00 O ATOM 261 CB ILE A 22 0.879 -4.406 -1.114 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.194 -3.220 -2.028 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.581 -4.404 -0.655 1.00 0.00 C ATOM 264 CD1 ILE A 22 0.545 -1.937 -1.506 1.00 0.00 C ATOM 0 H ILE A 22 3.368 -4.748 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 22 1.590 -3.563 0.679 1.00 0.00 H new ATOM 0 HB ILE A 22 1.032 -5.313 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.273 -3.084 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.836 -3.428 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.236 -4.377 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.782 -5.306 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.766 -3.527 -0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.785 -1.110 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.536 -2.067 -1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.923 -1.718 -0.507 1.00 0.00 H new ATOM 276 N ILE A 23 1.957 -5.475 2.259 1.00 0.00 N ATOM 277 CA ILE A 23 1.821 -6.545 3.232 1.00 0.00 C ATOM 278 C ILE A 23 0.371 -6.605 3.718 1.00 0.00 C ATOM 279 O ILE A 23 -0.141 -5.634 4.275 1.00 0.00 O ATOM 280 CB ILE A 23 2.841 -6.378 4.359 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.251 -6.183 3.797 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.772 -7.550 5.340 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.812 -7.499 3.255 1.00 0.00 C ATOM 0 H ILE A 23 2.314 -4.598 2.638 1.00 0.00 H new ATOM 0 HA ILE A 23 2.044 -7.508 2.773 1.00 0.00 H new ATOM 0 HB ILE A 23 2.589 -5.476 4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.230 -5.438 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.907 -5.798 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.508 -7.406 6.131 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.775 -7.601 5.777 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.985 -8.480 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.815 -7.332 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.855 -8.235 4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.167 -7.869 2.458 1.00 0.00 H new ATOM 295 N TRP A 24 -0.249 -7.753 3.491 1.00 0.00 N ATOM 296 CA TRP A 24 -1.629 -7.952 3.899 1.00 0.00 C ATOM 297 C TRP A 24 -1.893 -9.458 3.957 1.00 0.00 C ATOM 298 O TRP A 24 -1.937 -10.123 2.923 1.00 0.00 O ATOM 299 CB TRP A 24 -2.589 -7.212 2.966 1.00 0.00 C ATOM 300 CG TRP A 24 -4.044 -7.214 3.440 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.502 -7.300 4.696 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.220 -7.122 2.608 1.00 0.00 C ATOM 303 NE1 TRP A 24 -5.881 -7.270 4.735 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.331 -7.159 3.424 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.339 -7.012 1.211 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.642 -7.091 2.938 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.656 -6.945 0.741 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.786 -6.981 1.550 1.00 0.00 C ATOM 0 H TRP A 24 0.179 -8.556 3.029 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.803 -7.530 4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.254 -6.180 2.861 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.540 -7.666 1.976 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.871 -7.382 5.569 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.463 -7.320 5.571 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.483 -6.982 0.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.496 -7.122 3.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.805 -6.859 -0.325 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.770 -6.924 1.110 1.00 0.00 H new ATOM 319 N ASN A 25 -2.062 -9.951 5.175 1.00 0.00 N ATOM 320 CA ASN A 25 -2.321 -11.366 5.380 1.00 0.00 C ATOM 321 C ASN A 25 -1.046 -12.160 5.089 1.00 0.00 C ATOM 322 O ASN A 25 -0.493 -12.802 5.981 1.00 0.00 O ATOM 323 CB ASN A 25 -3.416 -11.868 4.437 1.00 0.00 C ATOM 324 CG ASN A 25 -4.617 -12.395 5.224 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.609 -13.492 5.760 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.648 -11.556 5.265 1.00 0.00 N ATOM 0 H ASN A 25 -2.025 -9.396 6.030 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.643 -11.504 6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.734 -11.059 3.780 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.019 -12.658 3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.497 -11.816 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.589 -10.653 4.795 1.00 0.00 H new ATOM 333 N LYS A 26 -0.616 -12.091 3.838 1.00 0.00 N ATOM 334 CA LYS A 26 0.584 -12.795 3.418 1.00 0.00 C ATOM 335 C LYS A 26 0.797 -12.582 1.919 1.00 0.00 C ATOM 336 O LYS A 26 1.113 -13.523 1.193 1.00 0.00 O ATOM 337 CB LYS A 26 0.510 -14.268 3.826 1.00 0.00 C ATOM 338 CG LYS A 26 1.289 -14.520 5.118 1.00 0.00 C ATOM 339 CD LYS A 26 2.577 -15.297 4.839 1.00 0.00 C ATOM 340 CE LYS A 26 3.433 -15.412 6.102 1.00 0.00 C ATOM 341 NZ LYS A 26 4.654 -16.203 5.831 1.00 0.00 N ATOM 0 H LYS A 26 -1.077 -11.558 3.101 1.00 0.00 H new ATOM 0 HA LYS A 26 1.460 -12.391 3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.531 -14.559 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.913 -14.891 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.530 -13.569 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.668 -15.078 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.332 -16.293 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.145 -14.797 4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.708 -14.418 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.856 -15.884 6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.223 -16.271 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.387 -17.158 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.211 -15.737 5.087 1.00 0.00 H new ATOM 355 N THR A 27 0.616 -11.338 1.499 1.00 0.00 N ATOM 356 CA THR A 27 0.785 -10.989 0.098 1.00 0.00 C ATOM 357 C THR A 27 1.824 -9.877 -0.053 1.00 0.00 C ATOM 358 O THR A 27 1.990 -9.051 0.844 1.00 0.00 O ATOM 359 CB THR A 27 -0.588 -10.618 -0.466 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.228 -9.929 0.605 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.474 -11.843 -0.703 1.00 0.00 C ATOM 0 H THR A 27 0.354 -10.560 2.104 1.00 0.00 H new ATOM 0 HA THR A 27 1.171 -11.832 -0.475 1.00 0.00 H new ATOM 0 HB THR A 27 -0.461 -10.075 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.633 -10.579 1.216 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.436 -11.524 -1.103 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.988 -12.511 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.629 -12.368 0.240 1.00 0.00 H new ATOM 369 N LYS A 28 2.498 -9.891 -1.193 1.00 0.00 N ATOM 370 CA LYS A 28 3.517 -8.893 -1.473 1.00 0.00 C ATOM 371 C LYS A 28 3.316 -8.348 -2.888 1.00 0.00 C ATOM 372 O LYS A 28 3.811 -8.924 -3.856 1.00 0.00 O ATOM 373 CB LYS A 28 4.913 -9.470 -1.229 1.00 0.00 C ATOM 374 CG LYS A 28 5.140 -9.746 0.258 1.00 0.00 C ATOM 375 CD LYS A 28 6.094 -10.926 0.458 1.00 0.00 C ATOM 376 CE LYS A 28 5.399 -12.073 1.195 1.00 0.00 C ATOM 377 NZ LYS A 28 6.268 -13.271 1.225 1.00 0.00 N ATOM 0 H LYS A 28 2.359 -10.578 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 28 3.422 -8.049 -0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.033 -10.393 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.667 -8.772 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.550 -8.857 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.187 -9.959 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.454 -11.276 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.967 -10.601 1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.157 -11.766 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.457 -12.312 0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.782 -14.040 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.477 -13.572 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.156 -13.043 1.716 1.00 0.00 H new ATOM 391 N HIS A 29 2.588 -7.243 -2.964 1.00 0.00 N ATOM 392 CA HIS A 29 2.315 -6.613 -4.245 1.00 0.00 C ATOM 393 C HIS A 29 3.275 -5.441 -4.455 1.00 0.00 C ATOM 394 O HIS A 29 3.195 -4.435 -3.751 1.00 0.00 O ATOM 395 CB HIS A 29 0.845 -6.202 -4.345 1.00 0.00 C ATOM 396 CG HIS A 29 -0.127 -7.319 -4.052 1.00 0.00 C ATOM 397 ND1 HIS A 29 -1.461 -7.268 -4.418 1.00 0.00 N ATOM 398 CD2 HIS A 29 0.054 -8.517 -3.425 1.00 0.00 C ATOM 399 CE1 HIS A 29 -2.046 -8.390 -4.024 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.106 -9.162 -3.408 1.00 0.00 N ATOM 0 H HIS A 29 2.179 -6.768 -2.159 1.00 0.00 H new ATOM 0 HA HIS A 29 2.488 -7.327 -5.050 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.660 -5.382 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.653 -5.821 -5.348 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.984 -8.879 -3.012 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.085 -8.648 -4.166 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.268 -10.083 -3.001 1.00 0.00 H new ATOM 408 N ASP A 30 4.160 -5.609 -5.426 1.00 0.00 N ATOM 409 CA ASP A 30 5.134 -4.577 -5.738 1.00 0.00 C ATOM 410 C ASP A 30 4.436 -3.427 -6.467 1.00 0.00 C ATOM 411 O ASP A 30 4.120 -3.538 -7.651 1.00 0.00 O ATOM 412 CB ASP A 30 6.235 -5.117 -6.652 1.00 0.00 C ATOM 413 CG ASP A 30 5.747 -5.691 -7.984 1.00 0.00 C ATOM 414 OD1 ASP A 30 4.840 -6.550 -7.933 1.00 0.00 O ATOM 415 OD2 ASP A 30 6.291 -5.258 -9.023 1.00 0.00 O ATOM 0 H ASP A 30 4.223 -6.445 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 30 5.577 -4.237 -4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.942 -4.313 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.782 -5.894 -6.117 1.00 0.00 H new ATOM 420 N VAL A 31 4.217 -2.348 -5.730 1.00 0.00 N ATOM 421 CA VAL A 31 3.563 -1.178 -6.292 1.00 0.00 C ATOM 422 C VAL A 31 4.500 0.027 -6.182 1.00 0.00 C ATOM 423 O VAL A 31 5.188 0.193 -5.176 1.00 0.00 O ATOM 424 CB VAL A 31 2.215 -0.952 -5.604 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.226 -2.064 -5.959 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.386 -0.832 -4.089 1.00 0.00 C ATOM 0 H VAL A 31 4.481 -2.259 -4.749 1.00 0.00 H new ATOM 0 HA VAL A 31 3.352 -1.330 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 31 1.805 -0.010 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.276 -1.880 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.069 -2.081 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.627 -3.025 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.413 -0.672 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.828 -1.749 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.039 0.010 -3.862 1.00 0.00 H new ATOM 436 N LYS A 32 4.495 0.837 -7.230 1.00 0.00 N ATOM 437 CA LYS A 32 5.336 2.022 -7.264 1.00 0.00 C ATOM 438 C LYS A 32 4.465 3.265 -7.077 1.00 0.00 C ATOM 439 O LYS A 32 3.660 3.601 -7.945 1.00 0.00 O ATOM 440 CB LYS A 32 6.176 2.046 -8.543 1.00 0.00 C ATOM 441 CG LYS A 32 5.384 2.643 -9.708 1.00 0.00 C ATOM 442 CD LYS A 32 6.104 2.409 -11.037 1.00 0.00 C ATOM 443 CE LYS A 32 5.174 2.685 -12.221 1.00 0.00 C ATOM 444 NZ LYS A 32 5.807 2.257 -13.488 1.00 0.00 N ATOM 0 H LYS A 32 3.922 0.696 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 32 6.051 2.006 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.081 2.630 -8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.492 1.033 -8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.391 2.195 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.246 3.712 -9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.979 3.056 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.463 1.381 -11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.231 2.156 -12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.939 3.748 -12.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.163 2.451 -14.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.695 2.781 -13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.009 1.238 -13.448 1.00 0.00 H new ATOM 458 N VAL A 33 4.654 3.916 -5.938 1.00 0.00 N ATOM 459 CA VAL A 33 3.896 5.115 -5.626 1.00 0.00 C ATOM 460 C VAL A 33 4.863 6.251 -5.287 1.00 0.00 C ATOM 461 O VAL A 33 5.980 6.006 -4.834 1.00 0.00 O ATOM 462 CB VAL A 33 2.897 4.825 -4.503 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.172 3.499 -4.744 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.588 4.833 -3.139 1.00 0.00 C ATOM 0 H VAL A 33 5.322 3.635 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 33 3.311 5.433 -6.489 1.00 0.00 H new ATOM 0 HB VAL A 33 2.151 5.620 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.468 3.316 -3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.631 3.547 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.900 2.688 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.856 4.624 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.366 4.069 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.036 5.811 -2.964 1.00 0.00 H new ATOM 474 N PRO A 34 4.386 7.502 -5.525 1.00 0.00 N ATOM 475 CA PRO A 34 5.196 8.677 -5.250 1.00 0.00 C ATOM 476 C PRO A 34 5.268 8.953 -3.747 1.00 0.00 C ATOM 477 O PRO A 34 4.364 8.581 -2.999 1.00 0.00 O ATOM 478 CB PRO A 34 4.535 9.802 -6.029 1.00 0.00 C ATOM 479 CG PRO A 34 3.124 9.324 -6.335 1.00 0.00 C ATOM 480 CD PRO A 34 3.068 7.831 -6.061 1.00 0.00 C ATOM 0 HA PRO A 34 6.234 8.554 -5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.518 10.723 -5.446 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.083 10.016 -6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.399 9.853 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.868 9.531 -7.374 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.279 7.589 -5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.859 7.269 -6.971 1.00 0.00 H new ATOM 488 N LEU A 35 6.352 9.603 -3.348 1.00 0.00 N ATOM 489 CA LEU A 35 6.554 9.934 -1.948 1.00 0.00 C ATOM 490 C LEU A 35 5.670 11.126 -1.577 1.00 0.00 C ATOM 491 O LEU A 35 5.374 11.343 -0.403 1.00 0.00 O ATOM 492 CB LEU A 35 8.039 10.156 -1.659 1.00 0.00 C ATOM 493 CG LEU A 35 8.587 9.477 -0.402 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.166 8.008 -0.344 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.105 9.642 -0.307 1.00 0.00 C ATOM 0 H LEU A 35 7.100 9.909 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 35 6.250 9.102 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.612 9.804 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.216 11.228 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 35 8.154 9.970 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.569 7.549 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.078 7.942 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.551 7.484 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.469 9.150 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.575 9.191 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.354 10.702 -0.268 1.00 0.00 H new ATOM 507 N ASP A 36 5.272 11.868 -2.600 1.00 0.00 N ATOM 508 CA ASP A 36 4.428 13.033 -2.397 1.00 0.00 C ATOM 509 C ASP A 36 3.078 12.586 -1.830 1.00 0.00 C ATOM 510 O ASP A 36 2.329 13.398 -1.289 1.00 0.00 O ATOM 511 CB ASP A 36 4.168 13.762 -3.716 1.00 0.00 C ATOM 512 CG ASP A 36 4.476 15.260 -3.698 1.00 0.00 C ATOM 513 OD1 ASP A 36 5.014 15.717 -2.667 1.00 0.00 O ATOM 514 OD2 ASP A 36 4.167 15.916 -4.717 1.00 0.00 O ATOM 0 H ASP A 36 5.519 11.685 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 36 4.941 13.705 -1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.766 13.293 -4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.122 13.625 -3.990 1.00 0.00 H new ATOM 519 N SER A 37 2.810 11.297 -1.973 1.00 0.00 N ATOM 520 CA SER A 37 1.564 10.733 -1.481 1.00 0.00 C ATOM 521 C SER A 37 1.460 10.933 0.032 1.00 0.00 C ATOM 522 O SER A 37 2.381 10.590 0.772 1.00 0.00 O ATOM 523 CB SER A 37 1.457 9.247 -1.829 1.00 0.00 C ATOM 524 OG SER A 37 0.718 9.031 -3.028 1.00 0.00 O ATOM 0 H SER A 37 3.434 10.627 -2.422 1.00 0.00 H new ATOM 0 HA SER A 37 0.738 11.253 -1.967 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.457 8.828 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.977 8.716 -1.007 1.00 0.00 H new ATOM 0 HG SER A 37 0.807 8.095 -3.303 1.00 0.00 H new ATOM 530 N THR A 38 0.330 11.487 0.447 1.00 0.00 N ATOM 531 CA THR A 38 0.094 11.736 1.859 1.00 0.00 C ATOM 532 C THR A 38 -0.199 10.425 2.591 1.00 0.00 C ATOM 533 O THR A 38 -0.781 9.506 2.016 1.00 0.00 O ATOM 534 CB THR A 38 -1.034 12.763 1.976 1.00 0.00 C ATOM 535 OG1 THR A 38 -2.166 12.099 1.419 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.823 13.971 1.061 1.00 0.00 C ATOM 0 H THR A 38 -0.432 11.770 -0.169 1.00 0.00 H new ATOM 0 HA THR A 38 0.980 12.149 2.341 1.00 0.00 H new ATOM 0 HB THR A 38 -1.113 13.100 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.945 12.693 1.456 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.651 14.669 1.183 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.111 14.467 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.778 13.638 0.024 1.00 0.00 H new ATOM 544 N GLY A 39 0.217 10.380 3.848 1.00 0.00 N ATOM 545 CA GLY A 39 0.005 9.196 4.664 1.00 0.00 C ATOM 546 C GLY A 39 -1.430 8.685 4.527 1.00 0.00 C ATOM 547 O GLY A 39 -1.697 7.506 4.753 1.00 0.00 O ATOM 0 H GLY A 39 0.700 11.144 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.703 8.414 4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.214 9.428 5.708 1.00 0.00 H new ATOM 551 N SER A 40 -2.317 9.598 4.159 1.00 0.00 N ATOM 552 CA SER A 40 -3.718 9.254 3.989 1.00 0.00 C ATOM 553 C SER A 40 -3.943 8.637 2.607 1.00 0.00 C ATOM 554 O SER A 40 -4.701 7.679 2.467 1.00 0.00 O ATOM 555 CB SER A 40 -4.613 10.482 4.174 1.00 0.00 C ATOM 556 OG SER A 40 -5.979 10.123 4.362 1.00 0.00 O ATOM 0 H SER A 40 -2.092 10.576 3.974 1.00 0.00 H new ATOM 0 HA SER A 40 -3.985 8.524 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.267 11.056 5.034 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.525 11.130 3.302 1.00 0.00 H new ATOM 0 HG SER A 40 -6.517 10.934 4.478 1.00 0.00 H new ATOM 562 N GLU A 41 -3.269 9.212 1.622 1.00 0.00 N ATOM 563 CA GLU A 41 -3.385 8.730 0.256 1.00 0.00 C ATOM 564 C GLU A 41 -2.982 7.256 0.176 1.00 0.00 C ATOM 565 O GLU A 41 -3.428 6.534 -0.713 1.00 0.00 O ATOM 566 CB GLU A 41 -2.546 9.581 -0.699 1.00 0.00 C ATOM 567 CG GLU A 41 -3.413 10.615 -1.419 1.00 0.00 C ATOM 568 CD GLU A 41 -2.875 10.901 -2.823 1.00 0.00 C ATOM 569 OE1 GLU A 41 -1.964 11.751 -2.919 1.00 0.00 O ATOM 570 OE2 GLU A 41 -3.387 10.262 -3.767 1.00 0.00 O ATOM 0 H GLU A 41 -2.641 10.007 1.742 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.427 8.818 -0.052 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.757 10.087 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.058 8.938 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.438 10.252 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.439 11.539 -0.841 1.00 0.00 H new ATOM 577 N LEU A 42 -2.141 6.855 1.118 1.00 0.00 N ATOM 578 CA LEU A 42 -1.672 5.480 1.166 1.00 0.00 C ATOM 579 C LEU A 42 -2.873 4.534 1.118 1.00 0.00 C ATOM 580 O LEU A 42 -2.867 3.554 0.375 1.00 0.00 O ATOM 581 CB LEU A 42 -0.768 5.265 2.381 1.00 0.00 C ATOM 582 CG LEU A 42 0.738 5.304 2.112 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.528 5.360 3.421 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.169 4.128 1.232 1.00 0.00 C ATOM 0 H LEU A 42 -1.772 7.458 1.854 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.055 5.257 0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.004 6.027 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.013 4.300 2.825 1.00 0.00 H new ATOM 0 HG LEU A 42 0.963 6.217 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.595 5.387 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.249 6.256 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.303 4.477 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.243 4.180 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.928 3.191 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.643 4.175 0.279 1.00 0.00 H new ATOM 596 N LYS A 43 -3.876 4.861 1.920 1.00 0.00 N ATOM 597 CA LYS A 43 -5.082 4.052 1.978 1.00 0.00 C ATOM 598 C LYS A 43 -5.705 3.973 0.583 1.00 0.00 C ATOM 599 O LYS A 43 -6.104 2.898 0.138 1.00 0.00 O ATOM 600 CB LYS A 43 -6.035 4.588 3.048 1.00 0.00 C ATOM 601 CG LYS A 43 -5.311 4.778 4.383 1.00 0.00 C ATOM 602 CD LYS A 43 -5.581 3.603 5.324 1.00 0.00 C ATOM 603 CE LYS A 43 -5.227 3.964 6.768 1.00 0.00 C ATOM 604 NZ LYS A 43 -6.455 4.122 7.579 1.00 0.00 N ATOM 0 H LYS A 43 -3.878 5.675 2.535 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.843 3.032 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.457 5.538 2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.868 3.897 3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.239 4.871 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.640 5.706 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.631 3.318 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.998 2.738 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.597 3.186 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.650 4.889 6.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.226 4.621 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.157 4.671 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.846 3.185 7.803 1.00 0.00 H new ATOM 618 N GLN A 44 -5.770 5.125 -0.068 1.00 0.00 N ATOM 619 CA GLN A 44 -6.338 5.199 -1.403 1.00 0.00 C ATOM 620 C GLN A 44 -5.414 4.513 -2.412 1.00 0.00 C ATOM 621 O GLN A 44 -5.844 4.152 -3.507 1.00 0.00 O ATOM 622 CB GLN A 44 -6.607 6.651 -1.805 1.00 0.00 C ATOM 623 CG GLN A 44 -7.721 7.259 -0.951 1.00 0.00 C ATOM 624 CD GLN A 44 -8.718 8.030 -1.818 1.00 0.00 C ATOM 625 OE1 GLN A 44 -8.752 9.250 -1.834 1.00 0.00 O ATOM 626 NE2 GLN A 44 -9.525 7.254 -2.536 1.00 0.00 N ATOM 0 H GLN A 44 -5.439 6.015 0.304 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.293 4.674 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.696 7.238 -1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.886 6.695 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.240 6.469 -0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.289 7.927 -0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.443 6.239 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.226 7.674 -3.147 1.00 0.00 H new ATOM 635 N LYS A 45 -4.163 4.355 -2.007 1.00 0.00 N ATOM 636 CA LYS A 45 -3.175 3.718 -2.862 1.00 0.00 C ATOM 637 C LYS A 45 -3.196 2.208 -2.621 1.00 0.00 C ATOM 638 O LYS A 45 -2.960 1.426 -3.541 1.00 0.00 O ATOM 639 CB LYS A 45 -1.799 4.355 -2.656 1.00 0.00 C ATOM 640 CG LYS A 45 -1.217 4.845 -3.984 1.00 0.00 C ATOM 641 CD LYS A 45 -2.205 5.760 -4.710 1.00 0.00 C ATOM 642 CE LYS A 45 -1.556 7.101 -5.058 1.00 0.00 C ATOM 643 NZ LYS A 45 -2.531 7.989 -5.731 1.00 0.00 N ATOM 0 H LYS A 45 -3.810 4.657 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.420 3.877 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.881 5.190 -1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.123 3.630 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.286 5.381 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.974 3.991 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.555 5.274 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.080 5.927 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.186 7.579 -4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.695 6.938 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.092 8.411 -6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.365 7.437 -6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.821 8.744 -5.078 1.00 0.00 H new ATOM 657 N ILE A 46 -3.480 1.842 -1.380 1.00 0.00 N ATOM 658 CA ILE A 46 -3.535 0.439 -1.007 1.00 0.00 C ATOM 659 C ILE A 46 -4.898 -0.136 -1.398 1.00 0.00 C ATOM 660 O ILE A 46 -4.991 -1.285 -1.826 1.00 0.00 O ATOM 661 CB ILE A 46 -3.196 0.265 0.475 1.00 0.00 C ATOM 662 CG1 ILE A 46 -1.908 1.009 0.834 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.126 -1.217 0.851 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.033 1.694 2.196 1.00 0.00 C ATOM 0 H ILE A 46 -3.675 2.493 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.781 -0.130 -1.552 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.999 0.709 1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.072 0.310 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.687 1.752 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.884 -1.313 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.089 -1.688 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.355 -1.707 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.104 2.216 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.854 2.410 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.229 0.945 2.963 1.00 0.00 H new ATOM 676 N HIS A 47 -5.921 0.691 -1.237 1.00 0.00 N ATOM 677 CA HIS A 47 -7.274 0.279 -1.568 1.00 0.00 C ATOM 678 C HIS A 47 -7.360 -0.052 -3.059 1.00 0.00 C ATOM 679 O HIS A 47 -8.206 -0.842 -3.476 1.00 0.00 O ATOM 680 CB HIS A 47 -8.286 1.343 -1.138 1.00 0.00 C ATOM 681 CG HIS A 47 -9.509 1.420 -2.020 1.00 0.00 C ATOM 682 ND1 HIS A 47 -10.337 0.439 -2.484 1.00 0.00 N flip ATOM 683 CD2 HIS A 47 -9.997 2.613 -2.524 1.00 0.00 C flip ATOM 684 CE1 HIS A 47 -11.280 1.003 -3.228 1.00 0.00 C flip ATOM 685 NE2 HIS A 47 -11.071 2.351 -3.255 1.00 0.00 N flip ATOM 0 H HIS A 47 -5.840 1.644 -0.882 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.528 -0.626 -1.015 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.601 1.138 -0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.794 2.316 -1.131 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -10.246 -0.559 -2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.574 3.592 -2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.081 0.481 -3.730 1.00 0.00 H new ATOM 693 N SER A 48 -6.472 0.569 -3.823 1.00 0.00 N ATOM 694 CA SER A 48 -6.437 0.350 -5.259 1.00 0.00 C ATOM 695 C SER A 48 -5.821 -1.017 -5.565 1.00 0.00 C ATOM 696 O SER A 48 -5.900 -1.498 -6.694 1.00 0.00 O ATOM 697 CB SER A 48 -5.651 1.456 -5.965 1.00 0.00 C ATOM 698 OG SER A 48 -6.460 2.181 -6.887 1.00 0.00 O ATOM 0 H SER A 48 -5.772 1.223 -3.474 1.00 0.00 H new ATOM 0 HA SER A 48 -7.460 0.372 -5.634 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.244 2.142 -5.222 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.804 1.018 -6.493 1.00 0.00 H new ATOM 0 HG SER A 48 -5.922 2.879 -7.316 1.00 0.00 H new ATOM 704 N ILE A 49 -5.223 -1.604 -4.539 1.00 0.00 N ATOM 705 CA ILE A 49 -4.595 -2.906 -4.684 1.00 0.00 C ATOM 706 C ILE A 49 -5.350 -3.930 -3.834 1.00 0.00 C ATOM 707 O ILE A 49 -5.884 -4.905 -4.360 1.00 0.00 O ATOM 708 CB ILE A 49 -3.102 -2.820 -4.359 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.563 -1.413 -4.626 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.313 -3.889 -5.118 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.111 -1.284 -4.162 1.00 0.00 C ATOM 0 H ILE A 49 -5.160 -1.202 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.654 -3.244 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.972 -3.018 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.629 -1.191 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.180 -0.679 -4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.255 -3.806 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.675 -4.878 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.446 -3.746 -6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.753 -0.274 -4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.052 -1.483 -3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.492 -2.003 -4.699 1.00 0.00 H new ATOM 723 N THR A 50 -5.372 -3.672 -2.534 1.00 0.00 N ATOM 724 CA THR A 50 -6.053 -4.559 -1.607 1.00 0.00 C ATOM 725 C THR A 50 -7.512 -4.751 -2.027 1.00 0.00 C ATOM 726 O THR A 50 -8.085 -5.820 -1.822 1.00 0.00 O ATOM 727 CB THR A 50 -5.897 -3.981 -0.199 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.300 -2.621 -0.335 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.434 -3.894 0.240 1.00 0.00 C ATOM 0 H THR A 50 -4.929 -2.861 -2.101 1.00 0.00 H new ATOM 0 HA THR A 50 -5.611 -5.555 -1.616 1.00 0.00 H new ATOM 0 HB THR A 50 -6.452 -4.596 0.509 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.131 -2.320 -1.252 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.380 -3.477 1.246 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.993 -4.891 0.236 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.885 -3.252 -0.449 1.00 0.00 H new ATOM 737 N GLY A 51 -8.071 -3.699 -2.606 1.00 0.00 N ATOM 738 CA GLY A 51 -9.451 -3.738 -3.057 1.00 0.00 C ATOM 739 C GLY A 51 -10.403 -3.284 -1.948 1.00 0.00 C ATOM 740 O GLY A 51 -11.465 -2.730 -2.225 1.00 0.00 O ATOM 0 H GLY A 51 -7.593 -2.814 -2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.571 -3.096 -3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.707 -4.751 -3.369 1.00 0.00 H new ATOM 744 N LEU A 52 -9.988 -3.537 -0.715 1.00 0.00 N ATOM 745 CA LEU A 52 -10.790 -3.161 0.437 1.00 0.00 C ATOM 746 C LEU A 52 -10.822 -1.636 0.555 1.00 0.00 C ATOM 747 O LEU A 52 -10.060 -0.942 -0.116 1.00 0.00 O ATOM 748 CB LEU A 52 -10.281 -3.865 1.696 1.00 0.00 C ATOM 749 CG LEU A 52 -9.357 -3.043 2.597 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.631 -3.332 4.074 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.889 -3.273 2.231 1.00 0.00 C ATOM 0 H LEU A 52 -9.107 -3.998 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.820 -3.492 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.142 -4.182 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.752 -4.769 1.394 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.569 -1.987 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.961 -2.735 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.664 -3.077 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.463 -4.390 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.253 -2.677 2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.645 -4.329 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.722 -2.977 1.195 1.00 0.00 H new ATOM 763 N PRO A 53 -11.736 -1.147 1.435 1.00 0.00 N ATOM 764 CA PRO A 53 -11.877 0.283 1.649 1.00 0.00 C ATOM 765 C PRO A 53 -10.723 0.828 2.492 1.00 0.00 C ATOM 766 O PRO A 53 -10.138 0.101 3.294 1.00 0.00 O ATOM 767 CB PRO A 53 -13.232 0.448 2.320 1.00 0.00 C ATOM 768 CG PRO A 53 -13.591 -0.920 2.875 1.00 0.00 C ATOM 769 CD PRO A 53 -12.655 -1.940 2.246 1.00 0.00 C ATOM 0 HA PRO A 53 -11.834 0.853 0.721 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.186 1.192 3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.982 0.789 1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.492 -0.929 3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.629 -1.164 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.121 -2.510 3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.203 -2.658 1.636 1.00 0.00 H new ATOM 777 N PRO A 54 -10.421 2.136 2.276 1.00 0.00 N ATOM 778 CA PRO A 54 -9.347 2.787 3.007 1.00 0.00 C ATOM 779 C PRO A 54 -9.766 3.086 4.448 1.00 0.00 C ATOM 780 O PRO A 54 -8.925 3.138 5.344 1.00 0.00 O ATOM 781 CB PRO A 54 -9.031 4.041 2.208 1.00 0.00 C ATOM 782 CG PRO A 54 -10.242 4.288 1.324 1.00 0.00 C ATOM 783 CD PRO A 54 -11.092 3.027 1.335 1.00 0.00 C ATOM 0 HA PRO A 54 -8.462 2.158 3.103 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.850 4.889 2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.131 3.906 1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.816 5.139 1.692 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.930 4.529 0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.113 3.240 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.152 2.581 0.342 1.00 0.00 H new ATOM 791 N ALA A 55 -11.065 3.273 4.626 1.00 0.00 N ATOM 792 CA ALA A 55 -11.606 3.565 5.942 1.00 0.00 C ATOM 793 C ALA A 55 -11.331 2.384 6.875 1.00 0.00 C ATOM 794 O ALA A 55 -11.125 2.569 8.073 1.00 0.00 O ATOM 795 CB ALA A 55 -13.099 3.879 5.823 1.00 0.00 C ATOM 0 H ALA A 55 -11.759 3.228 3.880 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.122 4.443 6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.505 4.098 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.238 4.743 5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.619 3.020 5.400 1.00 0.00 H new ATOM 801 N MET A 56 -11.337 1.195 6.290 1.00 0.00 N ATOM 802 CA MET A 56 -11.091 -0.016 7.054 1.00 0.00 C ATOM 803 C MET A 56 -9.682 -0.553 6.793 1.00 0.00 C ATOM 804 O MET A 56 -9.475 -1.764 6.742 1.00 0.00 O ATOM 805 CB MET A 56 -12.122 -1.080 6.670 1.00 0.00 C ATOM 806 CG MET A 56 -13.128 -1.302 7.802 1.00 0.00 C ATOM 807 SD MET A 56 -14.720 -1.741 7.125 1.00 0.00 S ATOM 808 CE MET A 56 -15.679 -0.329 7.649 1.00 0.00 C ATOM 0 H MET A 56 -11.508 1.045 5.296 1.00 0.00 H new ATOM 0 HA MET A 56 -11.178 0.222 8.114 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.648 -0.772 5.766 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.615 -2.017 6.440 1.00 0.00 H new ATOM 0 HG2 MET A 56 -12.775 -2.092 8.464 1.00 0.00 H new ATOM 0 HG3 MET A 56 -13.216 -0.398 8.404 1.00 0.00 H new ATOM 0 HE1 MET A 56 -16.708 -0.441 7.307 1.00 0.00 H new ATOM 0 HE2 MET A 56 -15.663 -0.262 8.737 1.00 0.00 H new ATOM 0 HE3 MET A 56 -15.252 0.579 7.223 1.00 0.00 H new ATOM 818 N GLN A 57 -8.750 0.376 6.634 1.00 0.00 N ATOM 819 CA GLN A 57 -7.367 0.012 6.379 1.00 0.00 C ATOM 820 C GLN A 57 -6.484 0.424 7.558 1.00 0.00 C ATOM 821 O GLN A 57 -6.680 1.489 8.142 1.00 0.00 O ATOM 822 CB GLN A 57 -6.867 0.635 5.074 1.00 0.00 C ATOM 823 CG GLN A 57 -6.995 -0.350 3.911 1.00 0.00 C ATOM 824 CD GLN A 57 -5.990 -0.025 2.804 1.00 0.00 C ATOM 825 OE1 GLN A 57 -4.826 0.246 3.048 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.503 -0.067 1.578 1.00 0.00 N ATOM 0 H GLN A 57 -8.926 1.380 6.677 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.311 -1.071 6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.438 1.537 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.826 0.937 5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.830 -1.366 4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.008 -0.315 3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.487 -0.301 1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.913 0.135 0.771 1.00 0.00 H new ATOM 835 N LYS A 58 -5.530 -0.440 7.872 1.00 0.00 N ATOM 836 CA LYS A 58 -4.616 -0.178 8.971 1.00 0.00 C ATOM 837 C LYS A 58 -3.196 -0.026 8.423 1.00 0.00 C ATOM 838 O LYS A 58 -2.472 -1.010 8.281 1.00 0.00 O ATOM 839 CB LYS A 58 -4.747 -1.260 10.046 1.00 0.00 C ATOM 840 CG LYS A 58 -4.611 -0.659 11.447 1.00 0.00 C ATOM 841 CD LYS A 58 -4.978 -1.685 12.521 1.00 0.00 C ATOM 842 CE LYS A 58 -5.098 -1.022 13.894 1.00 0.00 C ATOM 843 NZ LYS A 58 -6.447 -1.245 14.462 1.00 0.00 N ATOM 0 H LYS A 58 -5.370 -1.322 7.385 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.871 0.761 9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.713 -1.757 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.981 -2.021 9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.588 -0.315 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.258 0.214 11.537 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.921 -2.166 12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.220 -2.467 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.342 -1.427 14.567 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.906 0.047 13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.511 -0.788 15.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.163 -0.838 13.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.616 -2.266 14.565 1.00 0.00 H new ATOM 857 N VAL A 59 -2.840 1.216 8.128 1.00 0.00 N ATOM 858 CA VAL A 59 -1.519 1.511 7.598 1.00 0.00 C ATOM 859 C VAL A 59 -0.528 1.642 8.755 1.00 0.00 C ATOM 860 O VAL A 59 -0.616 2.577 9.550 1.00 0.00 O ATOM 861 CB VAL A 59 -1.576 2.759 6.715 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.232 3.006 6.028 1.00 0.00 C ATOM 863 CG2 VAL A 59 -2.705 2.653 5.688 1.00 0.00 C ATOM 0 H VAL A 59 -3.443 2.030 8.246 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.171 0.696 6.963 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.786 3.614 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.300 3.899 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.542 3.147 6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.021 2.148 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.723 3.553 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.539 1.783 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.659 2.547 6.205 1.00 0.00 H new ATOM 873 N MET A 60 0.394 0.692 8.814 1.00 0.00 N ATOM 874 CA MET A 60 1.402 0.690 9.861 1.00 0.00 C ATOM 875 C MET A 60 2.699 0.042 9.372 1.00 0.00 C ATOM 876 O MET A 60 2.705 -1.123 8.978 1.00 0.00 O ATOM 877 CB MET A 60 0.874 -0.077 11.075 1.00 0.00 C ATOM 878 CG MET A 60 0.422 0.884 12.176 1.00 0.00 C ATOM 879 SD MET A 60 0.202 -0.003 13.709 1.00 0.00 S ATOM 880 CE MET A 60 1.907 -0.327 14.127 1.00 0.00 C ATOM 0 H MET A 60 0.464 -0.082 8.153 1.00 0.00 H new ATOM 0 HA MET A 60 1.616 1.723 10.137 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.039 -0.710 10.775 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.652 -0.736 11.460 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.162 1.674 12.306 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.512 1.366 11.888 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.050 -0.196 15.200 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.162 -1.350 13.850 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.552 0.366 13.587 1.00 0.00 H new ATOM 890 N TYR A 61 3.766 0.826 9.414 1.00 0.00 N ATOM 891 CA TYR A 61 5.066 0.344 8.980 1.00 0.00 C ATOM 892 C TYR A 61 6.126 0.579 10.058 1.00 0.00 C ATOM 893 O TYR A 61 6.644 1.686 10.195 1.00 0.00 O ATOM 894 CB TYR A 61 5.428 1.164 7.740 1.00 0.00 C ATOM 895 CG TYR A 61 6.904 1.079 7.346 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.614 -0.083 7.576 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.526 2.162 6.760 1.00 0.00 C ATOM 898 CE1 TYR A 61 9.003 -0.163 7.206 1.00 0.00 C ATOM 899 CE2 TYR A 61 8.915 2.082 6.390 1.00 0.00 C ATOM 900 CZ TYR A 61 9.585 0.923 6.631 1.00 0.00 C ATOM 901 OH TYR A 61 10.897 0.847 6.281 1.00 0.00 O ATOM 0 H TYR A 61 3.757 1.792 9.742 1.00 0.00 H new ATOM 0 HA TYR A 61 5.030 -0.726 8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.819 0.825 6.902 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.170 2.208 7.919 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.127 -0.932 8.033 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.971 3.070 6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.570 -1.065 7.381 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.414 2.923 5.931 1.00 0.00 H new ATOM 0 HH TYR A 61 11.178 1.696 5.880 1.00 0.00 H new ATOM 911 N LYS A 62 6.417 -0.482 10.797 1.00 0.00 N ATOM 912 CA LYS A 62 7.406 -0.406 11.860 1.00 0.00 C ATOM 913 C LYS A 62 7.070 0.771 12.779 1.00 0.00 C ATOM 914 O LYS A 62 7.939 1.277 13.487 1.00 0.00 O ATOM 915 CB LYS A 62 8.818 -0.345 11.274 1.00 0.00 C ATOM 916 CG LYS A 62 9.402 -1.749 11.104 1.00 0.00 C ATOM 917 CD LYS A 62 10.724 -1.888 11.860 1.00 0.00 C ATOM 918 CE LYS A 62 11.914 -1.831 10.900 1.00 0.00 C ATOM 919 NZ LYS A 62 12.831 -2.967 11.143 1.00 0.00 N ATOM 0 H LYS A 62 5.985 -1.399 10.681 1.00 0.00 H new ATOM 0 HA LYS A 62 7.378 -1.307 12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.794 0.162 10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.462 0.244 11.927 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.690 -2.489 11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.561 -1.955 10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.810 -1.091 12.599 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.737 -2.831 12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.559 -1.856 9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.449 -0.890 11.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.633 -2.913 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.184 -2.926 12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.322 -3.862 10.996 1.00 0.00 H new ATOM 933 N GLY A 63 5.808 1.171 12.738 1.00 0.00 N ATOM 934 CA GLY A 63 5.347 2.278 13.559 1.00 0.00 C ATOM 935 C GLY A 63 4.136 2.964 12.923 1.00 0.00 C ATOM 936 O GLY A 63 3.948 2.900 11.709 1.00 0.00 O ATOM 0 H GLY A 63 5.090 0.749 12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.084 1.914 14.552 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.153 3.000 13.688 1.00 0.00 H new ATOM 940 N LEU A 64 3.347 3.606 13.772 1.00 0.00 N ATOM 941 CA LEU A 64 2.160 4.304 13.308 1.00 0.00 C ATOM 942 C LEU A 64 2.554 5.305 12.220 1.00 0.00 C ATOM 943 O LEU A 64 3.587 5.965 12.324 1.00 0.00 O ATOM 944 CB LEU A 64 1.417 4.938 14.486 1.00 0.00 C ATOM 945 CG LEU A 64 0.605 3.980 15.360 1.00 0.00 C ATOM 946 CD1 LEU A 64 -0.812 3.804 14.811 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.327 2.641 15.523 1.00 0.00 C ATOM 0 H LEU A 64 3.506 3.657 14.778 1.00 0.00 H new ATOM 0 HA LEU A 64 1.458 3.603 12.857 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.145 5.446 15.118 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.744 5.702 14.097 1.00 0.00 H new ATOM 0 HG LEU A 64 0.513 4.419 16.353 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.368 3.118 15.451 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.317 4.770 14.790 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.763 3.398 13.801 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.728 1.979 16.148 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.471 2.184 14.544 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.297 2.805 15.993 1.00 0.00 H new ATOM 959 N VAL A 65 1.711 5.386 11.201 1.00 0.00 N ATOM 960 CA VAL A 65 1.959 6.295 10.095 1.00 0.00 C ATOM 961 C VAL A 65 0.983 7.471 10.179 1.00 0.00 C ATOM 962 O VAL A 65 -0.231 7.280 10.130 1.00 0.00 O ATOM 963 CB VAL A 65 1.872 5.539 8.767 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.662 6.505 7.600 1.00 0.00 C ATOM 965 CG2 VAL A 65 3.114 4.674 8.547 1.00 0.00 C ATOM 0 H VAL A 65 0.855 4.837 11.118 1.00 0.00 H new ATOM 0 HA VAL A 65 2.967 6.704 10.155 1.00 0.00 H new ATOM 0 HB VAL A 65 1.007 4.877 8.813 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.604 5.943 6.668 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.735 7.059 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.498 7.203 7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.027 4.147 7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.001 5.308 8.531 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.201 3.949 9.357 1.00 0.00 H new ATOM 975 N PRO A 66 1.566 8.693 10.306 1.00 0.00 N ATOM 976 CA PRO A 66 0.762 9.900 10.397 1.00 0.00 C ATOM 977 C PRO A 66 0.186 10.279 9.031 1.00 0.00 C ATOM 978 O PRO A 66 0.896 10.262 8.027 1.00 0.00 O ATOM 979 CB PRO A 66 1.699 10.956 10.960 1.00 0.00 C ATOM 980 CG PRO A 66 3.106 10.430 10.728 1.00 0.00 C ATOM 981 CD PRO A 66 3.001 8.957 10.367 1.00 0.00 C ATOM 0 HA PRO A 66 -0.110 9.777 11.040 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.553 11.914 10.461 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.512 11.118 12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.594 10.985 9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.715 10.561 11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.483 8.748 9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.488 8.330 11.114 1.00 0.00 H new ATOM 989 N GLU A 67 -1.097 10.612 9.037 1.00 0.00 N ATOM 990 CA GLU A 67 -1.776 10.994 7.812 1.00 0.00 C ATOM 991 C GLU A 67 -1.491 12.461 7.482 1.00 0.00 C ATOM 992 O GLU A 67 -1.442 12.840 6.313 1.00 0.00 O ATOM 993 CB GLU A 67 -3.281 10.738 7.916 1.00 0.00 C ATOM 994 CG GLU A 67 -3.564 9.288 8.315 1.00 0.00 C ATOM 995 CD GLU A 67 -4.923 8.828 7.782 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.902 9.573 8.006 1.00 0.00 O ATOM 997 OE2 GLU A 67 -4.952 7.743 7.162 1.00 0.00 O ATOM 0 H GLU A 67 -1.683 10.625 9.872 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.391 10.378 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.718 11.413 8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.758 10.956 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.779 8.640 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.545 9.195 9.401 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.312 13.246 8.534 1.00 0.00 N ATOM 1005 CA ASP A 68 -1.033 14.663 8.371 1.00 0.00 C ATOM 1006 C ASP A 68 0.323 14.836 7.684 1.00 0.00 C ATOM 1007 O ASP A 68 0.603 15.887 7.110 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.971 15.372 9.725 1.00 0.00 C ATOM 1009 CG ASP A 68 -1.695 16.718 9.785 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -1.049 17.726 9.426 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.878 16.708 10.188 1.00 0.00 O ATOM 0 H ASP A 68 -1.355 12.928 9.502 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.834 15.097 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.397 14.714 10.482 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.075 15.527 9.989 1.00 0.00 H new ATOM 1016 N LYS A 69 1.130 13.788 7.766 1.00 0.00 N ATOM 1017 CA LYS A 69 2.450 13.811 7.159 1.00 0.00 C ATOM 1018 C LYS A 69 2.497 12.801 6.011 1.00 0.00 C ATOM 1019 O LYS A 69 1.900 11.729 6.097 1.00 0.00 O ATOM 1020 CB LYS A 69 3.531 13.586 8.219 1.00 0.00 C ATOM 1021 CG LYS A 69 3.592 14.761 9.197 1.00 0.00 C ATOM 1022 CD LYS A 69 4.902 15.535 9.043 1.00 0.00 C ATOM 1023 CE LYS A 69 4.978 16.690 10.045 1.00 0.00 C ATOM 1024 NZ LYS A 69 6.323 16.756 10.658 1.00 0.00 N ATOM 0 H LYS A 69 0.895 12.918 8.244 1.00 0.00 H new ATOM 0 HA LYS A 69 2.654 14.792 6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.325 12.665 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.500 13.460 7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.748 15.429 9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.501 14.393 10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.746 14.862 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.982 15.924 8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.754 17.631 9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.224 16.556 10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.358 17.545 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.522 15.864 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.036 16.906 9.916 1.00 0.00 H new ATOM 1038 N THR A 70 3.211 13.180 4.961 1.00 0.00 N ATOM 1039 CA THR A 70 3.343 12.321 3.797 1.00 0.00 C ATOM 1040 C THR A 70 4.442 11.281 4.022 1.00 0.00 C ATOM 1041 O THR A 70 5.190 11.364 4.996 1.00 0.00 O ATOM 1042 CB THR A 70 3.590 13.211 2.578 1.00 0.00 C ATOM 1043 OG1 THR A 70 4.953 13.606 2.707 1.00 0.00 O ATOM 1044 CG2 THR A 70 2.813 14.528 2.647 1.00 0.00 C ATOM 0 H THR A 70 3.704 14.070 4.892 1.00 0.00 H new ATOM 0 HA THR A 70 2.431 11.751 3.622 1.00 0.00 H new ATOM 0 HB THR A 70 3.311 12.672 1.673 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.198 14.185 1.956 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.024 15.122 1.758 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.745 14.318 2.698 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.116 15.083 3.535 1.00 0.00 H new ATOM 1052 N LEU A 71 4.506 10.326 3.107 1.00 0.00 N ATOM 1053 CA LEU A 71 5.502 9.271 3.194 1.00 0.00 C ATOM 1054 C LEU A 71 6.881 9.895 3.416 1.00 0.00 C ATOM 1055 O LEU A 71 7.532 9.627 4.425 1.00 0.00 O ATOM 1056 CB LEU A 71 5.428 8.362 1.965 1.00 0.00 C ATOM 1057 CG LEU A 71 4.061 7.744 1.668 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.759 7.773 0.169 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.961 6.331 2.246 1.00 0.00 C ATOM 0 H LEU A 71 3.884 10.260 2.301 1.00 0.00 H new ATOM 0 HA LEU A 71 5.302 8.627 4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.742 8.937 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.150 7.555 2.091 1.00 0.00 H new ATOM 0 HG LEU A 71 3.299 8.348 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.781 7.327 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.759 8.805 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.521 7.207 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.979 5.914 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.733 5.701 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.100 6.369 3.326 1.00 0.00 H new ATOM 1071 N ARG A 72 7.286 10.714 2.457 1.00 0.00 N ATOM 1072 CA ARG A 72 8.576 11.378 2.535 1.00 0.00 C ATOM 1073 C ARG A 72 8.751 12.039 3.904 1.00 0.00 C ATOM 1074 O ARG A 72 9.874 12.230 4.366 1.00 0.00 O ATOM 1075 CB ARG A 72 8.717 12.439 1.442 1.00 0.00 C ATOM 1076 CG ARG A 72 10.165 12.921 1.330 1.00 0.00 C ATOM 1077 CD ARG A 72 10.221 14.410 0.980 1.00 0.00 C ATOM 1078 NE ARG A 72 11.130 15.115 1.911 1.00 0.00 N ATOM 1079 CZ ARG A 72 11.516 16.389 1.763 1.00 0.00 C ATOM 1080 NH1 ARG A 72 11.074 17.107 0.722 1.00 0.00 N ATOM 1081 NH2 ARG A 72 12.344 16.947 2.657 1.00 0.00 N ATOM 0 H ARG A 72 6.743 10.933 1.621 1.00 0.00 H new ATOM 0 HA ARG A 72 9.347 10.621 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.392 12.027 0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.065 13.284 1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.685 12.745 2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.686 12.344 0.566 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.567 14.538 -0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.222 14.843 1.036 1.00 0.00 H new ATOM 0 HE ARG A 72 11.485 14.598 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.443 16.684 0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.368 18.077 0.610 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.680 16.401 3.450 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.638 17.917 2.544 1.00 0.00 H new ATOM 1095 N GLU A 73 7.622 12.370 4.513 1.00 0.00 N ATOM 1096 CA GLU A 73 7.636 13.007 5.820 1.00 0.00 C ATOM 1097 C GLU A 73 7.681 11.949 6.925 1.00 0.00 C ATOM 1098 O GLU A 73 8.457 12.067 7.871 1.00 0.00 O ATOM 1099 CB GLU A 73 6.428 13.930 5.993 1.00 0.00 C ATOM 1100 CG GLU A 73 6.648 15.261 5.273 1.00 0.00 C ATOM 1101 CD GLU A 73 5.321 15.988 5.046 1.00 0.00 C ATOM 1102 OE1 GLU A 73 4.420 15.802 5.893 1.00 0.00 O ATOM 1103 OE2 GLU A 73 5.237 16.712 4.031 1.00 0.00 O ATOM 0 H GLU A 73 6.692 12.209 4.126 1.00 0.00 H new ATOM 0 HA GLU A 73 8.534 13.621 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.535 13.443 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.253 14.111 7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.316 15.891 5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.138 15.084 4.316 1.00 0.00 H new ATOM 1110 N ILE A 74 6.838 10.939 6.767 1.00 0.00 N ATOM 1111 CA ILE A 74 6.771 9.861 7.740 1.00 0.00 C ATOM 1112 C ILE A 74 8.073 9.058 7.694 1.00 0.00 C ATOM 1113 O ILE A 74 8.314 8.211 8.553 1.00 0.00 O ATOM 1114 CB ILE A 74 5.518 9.014 7.516 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.799 7.864 6.546 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.345 9.881 7.052 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.951 6.539 7.295 1.00 0.00 C ATOM 0 H ILE A 74 6.196 10.844 5.980 1.00 0.00 H new ATOM 0 HA ILE A 74 6.679 10.263 8.749 1.00 0.00 H new ATOM 0 HB ILE A 74 5.232 8.569 8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.986 7.786 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.708 8.073 5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.467 9.254 6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.127 10.634 7.810 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.605 10.374 6.115 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.150 5.739 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.780 6.612 7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.032 6.321 7.838 1.00 0.00 H new ATOM 1129 N LYS A 75 8.877 9.352 6.683 1.00 0.00 N ATOM 1130 CA LYS A 75 10.148 8.668 6.515 1.00 0.00 C ATOM 1131 C LYS A 75 9.909 7.319 5.833 1.00 0.00 C ATOM 1132 O LYS A 75 9.763 6.298 6.504 1.00 0.00 O ATOM 1133 CB LYS A 75 10.880 8.560 7.854 1.00 0.00 C ATOM 1134 CG LYS A 75 10.787 9.871 8.637 1.00 0.00 C ATOM 1135 CD LYS A 75 11.861 9.937 9.725 1.00 0.00 C ATOM 1136 CE LYS A 75 13.243 10.188 9.117 1.00 0.00 C ATOM 1137 NZ LYS A 75 13.892 8.907 8.758 1.00 0.00 N ATOM 0 H LYS A 75 8.673 10.054 5.972 1.00 0.00 H new ATOM 0 HA LYS A 75 10.807 9.243 5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.451 7.749 8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.927 8.309 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.902 10.714 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.799 9.959 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.620 10.732 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.871 9.004 10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.148 10.815 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.866 10.732 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.867 8.899 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.360 8.119 9.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.905 8.802 7.723 1.00 0.00 H new ATOM 1151 N VAL A 76 9.877 7.358 4.509 1.00 0.00 N ATOM 1152 CA VAL A 76 9.659 6.152 3.730 1.00 0.00 C ATOM 1153 C VAL A 76 10.820 5.965 2.751 1.00 0.00 C ATOM 1154 O VAL A 76 11.524 6.921 2.428 1.00 0.00 O ATOM 1155 CB VAL A 76 8.297 6.216 3.036 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.244 5.262 1.842 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.165 5.922 4.023 1.00 0.00 C ATOM 0 H VAL A 76 9.999 8.207 3.956 1.00 0.00 H new ATOM 0 HA VAL A 76 9.637 5.277 4.380 1.00 0.00 H new ATOM 0 HB VAL A 76 8.160 7.230 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.265 5.328 1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.015 5.536 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.414 4.241 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.208 5.974 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.297 4.924 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.183 6.658 4.827 1.00 0.00 H new ATOM 1167 N THR A 77 10.984 4.728 2.307 1.00 0.00 N ATOM 1168 CA THR A 77 12.048 4.403 1.371 1.00 0.00 C ATOM 1169 C THR A 77 11.562 3.375 0.348 1.00 0.00 C ATOM 1170 O THR A 77 10.511 2.762 0.528 1.00 0.00 O ATOM 1171 CB THR A 77 13.260 3.933 2.178 1.00 0.00 C ATOM 1172 OG1 THR A 77 12.757 2.855 2.962 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.713 4.966 3.211 1.00 0.00 C ATOM 0 H THR A 77 10.398 3.938 2.578 1.00 0.00 H new ATOM 0 HA THR A 77 12.345 5.276 0.790 1.00 0.00 H new ATOM 0 HB THR A 77 14.085 3.714 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.478 2.489 3.516 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.576 4.582 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.986 5.892 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.900 5.162 3.910 1.00 0.00 H new ATOM 1181 N SER A 78 12.351 3.218 -0.705 1.00 0.00 N ATOM 1182 CA SER A 78 12.015 2.274 -1.758 1.00 0.00 C ATOM 1183 C SER A 78 12.302 0.846 -1.291 1.00 0.00 C ATOM 1184 O SER A 78 13.457 0.426 -1.237 1.00 0.00 O ATOM 1185 CB SER A 78 12.792 2.580 -3.040 1.00 0.00 C ATOM 1186 OG SER A 78 14.190 2.349 -2.885 1.00 0.00 O ATOM 0 H SER A 78 13.222 3.728 -0.852 1.00 0.00 H new ATOM 0 HA SER A 78 10.952 2.371 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.410 1.961 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.626 3.619 -3.326 1.00 0.00 H new ATOM 0 HG SER A 78 14.332 1.618 -2.248 1.00 0.00 H new ATOM 1192 N GLY A 79 11.231 0.137 -0.965 1.00 0.00 N ATOM 1193 CA GLY A 79 11.353 -1.235 -0.505 1.00 0.00 C ATOM 1194 C GLY A 79 10.885 -1.371 0.945 1.00 0.00 C ATOM 1195 O GLY A 79 11.297 -2.291 1.651 1.00 0.00 O ATOM 0 H GLY A 79 10.274 0.488 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.762 -1.891 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.390 -1.559 -0.588 1.00 0.00 H new ATOM 1199 N ALA A 80 10.032 -0.441 1.348 1.00 0.00 N ATOM 1200 CA ALA A 80 9.504 -0.445 2.702 1.00 0.00 C ATOM 1201 C ALA A 80 8.367 -1.463 2.798 1.00 0.00 C ATOM 1202 O ALA A 80 7.936 -2.016 1.787 1.00 0.00 O ATOM 1203 CB ALA A 80 9.055 0.968 3.079 1.00 0.00 C ATOM 0 H ALA A 80 9.693 0.321 0.761 1.00 0.00 H new ATOM 0 HA ALA A 80 10.274 -0.743 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.659 0.965 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.906 1.647 3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.280 1.300 2.388 1.00 0.00 H new ATOM 1209 N LYS A 81 7.913 -1.682 4.023 1.00 0.00 N ATOM 1210 CA LYS A 81 6.834 -2.624 4.265 1.00 0.00 C ATOM 1211 C LYS A 81 5.553 -1.854 4.592 1.00 0.00 C ATOM 1212 O LYS A 81 5.607 -0.770 5.172 1.00 0.00 O ATOM 1213 CB LYS A 81 7.236 -3.634 5.342 1.00 0.00 C ATOM 1214 CG LYS A 81 7.624 -4.976 4.717 1.00 0.00 C ATOM 1215 CD LYS A 81 7.250 -6.138 5.639 1.00 0.00 C ATOM 1216 CE LYS A 81 8.323 -6.358 6.708 1.00 0.00 C ATOM 1217 NZ LYS A 81 9.385 -7.254 6.199 1.00 0.00 N ATOM 0 H LYS A 81 8.273 -1.223 4.859 1.00 0.00 H new ATOM 0 HA LYS A 81 6.633 -3.211 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.073 -3.242 5.919 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.409 -3.778 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.122 -5.093 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.696 -4.993 4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.292 -5.934 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.125 -7.048 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.755 -5.401 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.872 -6.790 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.105 -7.393 6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.971 -8.173 5.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.827 -6.827 5.360 1.00 0.00 H new ATOM 1231 N ILE A 82 4.431 -2.443 4.206 1.00 0.00 N ATOM 1232 CA ILE A 82 3.139 -1.825 4.451 1.00 0.00 C ATOM 1233 C ILE A 82 2.146 -2.895 4.911 1.00 0.00 C ATOM 1234 O ILE A 82 1.637 -3.665 4.099 1.00 0.00 O ATOM 1235 CB ILE A 82 2.675 -1.046 3.218 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.748 -0.058 2.759 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.334 -0.357 3.478 1.00 0.00 C ATOM 1238 CD1 ILE A 82 3.793 1.168 3.673 1.00 0.00 C ATOM 0 H ILE A 82 4.390 -3.342 3.725 1.00 0.00 H new ATOM 0 HA ILE A 82 3.214 -1.092 5.254 1.00 0.00 H new ATOM 0 HB ILE A 82 2.520 -1.754 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.721 -0.549 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.545 0.255 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.027 0.190 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.581 -1.107 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.437 0.338 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.565 1.854 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.826 1.670 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.021 0.854 4.692 1.00 0.00 H new ATOM 1250 N MET A 83 1.902 -2.908 6.213 1.00 0.00 N ATOM 1251 CA MET A 83 0.979 -3.870 6.792 1.00 0.00 C ATOM 1252 C MET A 83 -0.460 -3.354 6.733 1.00 0.00 C ATOM 1253 O MET A 83 -0.740 -2.235 7.162 1.00 0.00 O ATOM 1254 CB MET A 83 1.367 -4.138 8.247 1.00 0.00 C ATOM 1255 CG MET A 83 1.994 -5.526 8.401 1.00 0.00 C ATOM 1256 SD MET A 83 0.716 -6.771 8.447 1.00 0.00 S ATOM 1257 CE MET A 83 1.720 -8.239 8.599 1.00 0.00 C ATOM 0 H MET A 83 2.327 -2.268 6.884 1.00 0.00 H new ATOM 0 HA MET A 83 1.037 -4.793 6.216 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.071 -3.378 8.585 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.485 -4.061 8.882 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.674 -5.721 7.572 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.586 -5.567 9.315 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.290 -9.038 7.995 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.731 -8.026 8.253 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.752 -8.551 9.643 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.335 -4.194 6.200 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.738 -3.836 6.080 1.00 0.00 C ATOM 1269 C VAL A 84 -3.585 -4.841 6.864 1.00 0.00 C ATOM 1270 O VAL A 84 -3.119 -5.934 7.185 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.131 -3.746 4.604 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.601 -3.352 4.451 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.221 -2.773 3.853 1.00 0.00 C ATOM 0 H VAL A 84 -1.100 -5.121 5.846 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.919 -2.851 6.511 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.002 -4.734 4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.854 -3.295 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.230 -4.099 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.768 -2.381 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.522 -2.728 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.303 -1.781 4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.188 -3.116 3.919 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.814 -4.437 7.148 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.730 -5.288 7.888 1.00 0.00 C ATOM 1285 C VAL A 85 -6.990 -5.520 7.053 1.00 0.00 C ATOM 1286 O VAL A 85 -7.245 -4.796 6.092 1.00 0.00 O ATOM 1287 CB VAL A 85 -6.024 -4.674 9.258 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.074 -3.566 9.147 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -6.463 -5.746 10.257 1.00 0.00 C ATOM 0 H VAL A 85 -5.197 -3.531 6.879 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.280 -6.263 8.075 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.102 -4.227 9.630 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.265 -3.146 10.134 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.707 -2.782 8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.998 -3.980 8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.666 -5.282 11.222 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.366 -6.235 9.892 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.670 -6.486 10.369 1.00 0.00 H new ATOM 1299 N GLY A 86 -7.746 -6.533 7.450 1.00 0.00 N ATOM 1300 CA GLY A 86 -8.974 -6.870 6.751 1.00 0.00 C ATOM 1301 C GLY A 86 -9.053 -8.373 6.473 1.00 0.00 C ATOM 1302 O GLY A 86 -8.117 -9.113 6.773 1.00 0.00 O ATOM 0 H GLY A 86 -7.531 -7.132 8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.832 -6.561 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.024 -6.320 5.811 1.00 0.00 H new ATOM 1306 N SER A 87 -10.178 -8.779 5.904 1.00 0.00 N ATOM 1307 CA SER A 87 -10.391 -10.180 5.583 1.00 0.00 C ATOM 1308 C SER A 87 -11.746 -10.359 4.894 1.00 0.00 C ATOM 1309 O SER A 87 -12.762 -10.561 5.557 1.00 0.00 O ATOM 1310 CB SER A 87 -10.315 -11.051 6.839 1.00 0.00 C ATOM 1311 OG SER A 87 -9.767 -12.337 6.564 1.00 0.00 O ATOM 0 H SER A 87 -10.952 -8.162 5.657 1.00 0.00 H new ATOM 0 HA SER A 87 -9.600 -10.499 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.705 -10.550 7.591 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.313 -11.165 7.262 1.00 0.00 H new ATOM 0 HG SER A 87 -9.734 -12.862 7.391 1.00 0.00 H new ATOM 1317 N THR A 88 -11.716 -10.278 3.572 1.00 0.00 N ATOM 1318 CA THR A 88 -12.929 -10.429 2.786 1.00 0.00 C ATOM 1319 C THR A 88 -12.597 -10.953 1.387 1.00 0.00 C ATOM 1320 O THR A 88 -11.618 -10.525 0.777 1.00 0.00 O ATOM 1321 CB THR A 88 -13.655 -9.082 2.774 1.00 0.00 C ATOM 1322 OG1 THR A 88 -15.016 -9.423 2.525 1.00 0.00 O ATOM 1323 CG2 THR A 88 -13.263 -8.216 1.575 1.00 0.00 C ATOM 0 H THR A 88 -10.871 -10.110 3.025 1.00 0.00 H new ATOM 0 HA THR A 88 -13.596 -11.170 3.226 1.00 0.00 H new ATOM 0 HB THR A 88 -13.437 -8.545 3.697 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.559 -8.607 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 88 -13.807 -7.272 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 88 -12.191 -8.019 1.603 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.512 -8.739 0.652 1.00 0.00 H new ATOM 1331 N ILE A 89 -13.430 -11.871 0.921 1.00 0.00 N ATOM 1332 CA ILE A 89 -13.237 -12.458 -0.394 1.00 0.00 C ATOM 1333 C ILE A 89 -14.055 -11.674 -1.423 1.00 0.00 C ATOM 1334 O ILE A 89 -15.276 -11.579 -1.307 1.00 0.00 O ATOM 1335 CB ILE A 89 -13.556 -13.954 -0.366 1.00 0.00 C ATOM 1336 CG1 ILE A 89 -15.024 -14.195 -0.009 1.00 0.00 C ATOM 1337 CG2 ILE A 89 -12.607 -14.699 0.576 1.00 0.00 C ATOM 1338 CD1 ILE A 89 -15.795 -14.751 -1.208 1.00 0.00 C ATOM 0 H ILE A 89 -14.240 -12.223 1.430 1.00 0.00 H new ATOM 0 HA ILE A 89 -12.192 -12.384 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 89 -13.398 -14.356 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.089 -14.893 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.480 -13.261 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.855 -15.760 0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.580 -14.567 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.710 -14.301 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -16.836 -14.913 -0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -15.748 -14.040 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -15.351 -15.697 -1.519 1.00 0.00 H new ATOM 1350 N SER A 90 -13.350 -11.133 -2.405 1.00 0.00 N ATOM 1351 CA SER A 90 -13.996 -10.361 -3.453 1.00 0.00 C ATOM 1352 C SER A 90 -15.094 -11.195 -4.116 1.00 0.00 C ATOM 1353 O SER A 90 -14.972 -12.414 -4.226 1.00 0.00 O ATOM 1354 CB SER A 90 -12.981 -9.893 -4.498 1.00 0.00 C ATOM 1355 OG SER A 90 -12.166 -10.964 -4.968 1.00 0.00 O ATOM 0 H SER A 90 -12.337 -11.214 -2.497 1.00 0.00 H new ATOM 0 HA SER A 90 -14.444 -9.477 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.508 -9.442 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.348 -9.118 -4.067 1.00 0.00 H new ATOM 0 HG SER A 90 -11.533 -10.625 -5.635 1.00 0.00 H new ATOM 1361 N GLY A 91 -16.142 -10.505 -4.541 1.00 0.00 N ATOM 1362 CA GLY A 91 -17.261 -11.166 -5.191 1.00 0.00 C ATOM 1363 C GLY A 91 -17.823 -10.306 -6.324 1.00 0.00 C ATOM 1364 O GLY A 91 -17.583 -10.586 -7.498 1.00 0.00 O ATOM 0 H GLY A 91 -16.240 -9.494 -4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -16.939 -12.129 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -18.044 -11.367 -4.460 1.00 0.00 H new ATOM 1368 N PRO A 92 -18.580 -9.250 -5.923 1.00 0.00 N ATOM 1369 CA PRO A 92 -19.179 -8.348 -6.892 1.00 0.00 C ATOM 1370 C PRO A 92 -18.128 -7.411 -7.491 1.00 0.00 C ATOM 1371 O PRO A 92 -17.024 -7.292 -6.962 1.00 0.00 O ATOM 1372 CB PRO A 92 -20.263 -7.610 -6.124 1.00 0.00 C ATOM 1373 CG PRO A 92 -19.926 -7.787 -4.652 1.00 0.00 C ATOM 1374 CD PRO A 92 -18.885 -8.889 -4.542 1.00 0.00 C ATOM 0 HA PRO A 92 -19.602 -8.872 -7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -20.284 -6.555 -6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -21.248 -8.017 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -19.543 -6.856 -4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -20.819 -8.048 -4.084 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.995 -8.542 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -19.270 -9.743 -3.985 1.00 0.00 H new ATOM 1382 N SER A 93 -18.509 -6.770 -8.586 1.00 0.00 N ATOM 1383 CA SER A 93 -17.613 -5.848 -9.263 1.00 0.00 C ATOM 1384 C SER A 93 -18.416 -4.893 -10.149 1.00 0.00 C ATOM 1385 O SER A 93 -18.863 -5.273 -11.230 1.00 0.00 O ATOM 1386 CB SER A 93 -16.575 -6.600 -10.098 1.00 0.00 C ATOM 1387 OG SER A 93 -15.695 -7.373 -9.286 1.00 0.00 O ATOM 0 H SER A 93 -19.426 -6.871 -9.021 1.00 0.00 H new ATOM 0 HA SER A 93 -17.081 -5.271 -8.506 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.084 -7.254 -10.806 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.995 -5.887 -10.684 1.00 0.00 H new ATOM 0 HG SER A 93 -15.855 -7.166 -8.342 1.00 0.00 H new ATOM 1393 N SER A 94 -18.574 -3.673 -9.658 1.00 0.00 N ATOM 1394 CA SER A 94 -19.316 -2.662 -10.392 1.00 0.00 C ATOM 1395 C SER A 94 -18.411 -1.464 -10.692 1.00 0.00 C ATOM 1396 O SER A 94 -17.884 -0.835 -9.776 1.00 0.00 O ATOM 1397 CB SER A 94 -20.552 -2.211 -9.612 1.00 0.00 C ATOM 1398 OG SER A 94 -21.700 -2.991 -9.933 1.00 0.00 O ATOM 0 H SER A 94 -18.201 -3.362 -8.761 1.00 0.00 H new ATOM 0 HA SER A 94 -19.653 -3.100 -11.332 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.352 -2.283 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 94 -20.754 -1.162 -9.828 1.00 0.00 H new ATOM 0 HG SER A 94 -22.467 -2.673 -9.413 1.00 0.00 H new ATOM 1404 N GLY A 95 -18.260 -1.185 -11.978 1.00 0.00 N ATOM 1405 CA GLY A 95 -17.429 -0.075 -12.410 1.00 0.00 C ATOM 1406 C GLY A 95 -16.144 0.003 -11.582 1.00 0.00 C ATOM 1407 O GLY A 95 -15.113 -0.540 -11.978 1.00 0.00 O ATOM 0 H GLY A 95 -18.699 -1.709 -12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.180 -0.192 -13.465 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -17.984 0.858 -12.315 1.00 0.00 H new TER 1411 GLY A 95