USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 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 1 LEU N :NH3+ -109:sc= -10.8! (180deg=-15.7!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -127:sc= 0.49 USER MOD Single : A 9 SER OG : rot -39:sc= 1.59 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= -0.0415 (180deg=-0.131) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 21:sc= 0.599 USER MOD Single : A 20 HIS : no HD1:sc= -15.3! C(o=-15!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= 0.354 X(o=0.35,f=-0.01) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 76:sc= 0.722 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.116) USER MOD Single : A 55 SER OG : rot 180:sc= -2.68! USER MOD Single : A 56 SER OG : rot 74:sc= 0.0701 USER MOD Single : A 57 THR OG1 : rot 1:sc= -2.31! USER MOD Single : A 58 THR OG1 : rot 170:sc= -6.34! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 47:sc= 1.15 USER MOD Single : A 72 ASN : amide:sc= -3.07! C(o=-3.1!,f=-5.2!) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.596 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -12.6! C(o=-13!,f=-20!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 19.350 2.330 1.368 1.00 0.00 N ATOM 2 CA LEU A 1 19.922 0.990 1.682 1.00 0.00 C ATOM 3 C LEU A 1 18.795 -0.043 1.832 1.00 0.00 C ATOM 4 O LEU A 1 17.640 0.246 1.586 1.00 0.00 O ATOM 5 CB LEU A 1 20.769 1.072 2.965 1.00 0.00 C ATOM 6 CG LEU A 1 19.893 1.198 4.222 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.698 2.121 3.967 1.00 0.00 C ATOM 8 CD2 LEU A 1 19.387 -0.183 4.632 1.00 0.00 C ATOM 0 H1 LEU A 1 19.564 2.576 0.380 1.00 0.00 H new ATOM 0 H2 LEU A 1 18.319 2.308 1.504 1.00 0.00 H new ATOM 0 H3 LEU A 1 19.767 3.042 2.000 1.00 0.00 H new ATOM 0 HA LEU A 1 20.567 0.672 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 1 21.394 0.182 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 1 21.440 1.928 2.903 1.00 0.00 H new ATOM 0 HG LEU A 1 20.498 1.626 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.094 2.193 4.872 1.00 0.00 H new ATOM 0 HD12 LEU A 1 19.057 3.112 3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.091 1.715 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 1 18.766 -0.093 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 1 18.798 -0.610 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 1 20.236 -0.833 4.845 1.00 0.00 H new ATOM 22 N LYS A 2 19.129 -1.249 2.211 1.00 0.00 N ATOM 23 CA LYS A 2 18.092 -2.318 2.360 1.00 0.00 C ATOM 24 C LYS A 2 16.861 -1.779 3.103 1.00 0.00 C ATOM 25 O LYS A 2 16.891 -1.658 4.312 1.00 0.00 O ATOM 26 CB LYS A 2 18.685 -3.485 3.152 1.00 0.00 C ATOM 27 CG LYS A 2 19.880 -4.065 2.392 1.00 0.00 C ATOM 28 CD LYS A 2 20.701 -4.952 3.329 1.00 0.00 C ATOM 29 CE LYS A 2 21.303 -6.114 2.536 1.00 0.00 C ATOM 30 NZ LYS A 2 20.515 -7.352 2.793 1.00 0.00 N ATOM 0 H LYS A 2 20.082 -1.543 2.426 1.00 0.00 H new ATOM 0 HA LYS A 2 17.786 -2.651 1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.999 -3.146 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.929 -4.256 3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.533 -4.645 1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.501 -3.259 2.000 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.494 -4.368 3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.070 -5.334 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.299 -5.882 1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 2 22.343 -6.265 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.924 -8.142 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.541 -7.575 3.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.529 -7.204 2.496 1.00 0.00 H new ATOM 44 N PRO A 3 15.739 -1.806 2.425 1.00 0.00 N ATOM 45 CA PRO A 3 14.595 -0.938 2.754 1.00 0.00 C ATOM 46 C PRO A 3 13.886 -1.455 4.008 1.00 0.00 C ATOM 47 O PRO A 3 13.613 -2.632 4.130 1.00 0.00 O ATOM 48 CB PRO A 3 13.687 -1.053 1.527 1.00 0.00 C ATOM 49 CG PRO A 3 14.067 -2.378 0.830 1.00 0.00 C ATOM 50 CD PRO A 3 15.501 -2.711 1.281 1.00 0.00 C ATOM 0 HA PRO A 3 14.883 0.092 2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.637 -1.054 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.830 -0.206 0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.377 -3.175 1.108 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.015 -2.276 -0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.594 -3.757 1.574 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.221 -2.539 0.480 1.00 0.00 H new ATOM 58 N LYS A 4 13.585 -0.594 4.945 1.00 0.00 N ATOM 59 CA LYS A 4 12.898 -1.071 6.175 1.00 0.00 C ATOM 60 C LYS A 4 11.474 -0.527 6.220 1.00 0.00 C ATOM 61 O LYS A 4 11.250 0.621 6.545 1.00 0.00 O ATOM 62 CB LYS A 4 13.653 -0.595 7.411 1.00 0.00 C ATOM 63 CG LYS A 4 14.209 0.805 7.175 1.00 0.00 C ATOM 64 CD LYS A 4 14.997 1.256 8.407 1.00 0.00 C ATOM 65 CE LYS A 4 14.139 2.206 9.244 1.00 0.00 C ATOM 66 NZ LYS A 4 15.017 3.006 10.145 1.00 0.00 N ATOM 0 H LYS A 4 13.783 0.406 4.911 1.00 0.00 H new ATOM 0 HA LYS A 4 12.872 -2.161 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.988 -0.590 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.466 -1.285 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.854 0.808 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.395 1.502 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.287 0.391 9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.917 1.754 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.569 2.868 8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.417 1.639 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.434 3.652 10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.542 2.367 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.689 3.558 9.575 1.00 0.00 H new ATOM 80 N ILE A 5 10.512 -1.349 5.906 1.00 0.00 N ATOM 81 CA ILE A 5 9.097 -0.893 5.939 1.00 0.00 C ATOM 82 C ILE A 5 8.523 -1.167 7.329 1.00 0.00 C ATOM 83 O ILE A 5 8.347 -2.300 7.731 1.00 0.00 O ATOM 84 CB ILE A 5 8.300 -1.642 4.869 1.00 0.00 C ATOM 85 CG1 ILE A 5 6.939 -0.972 4.677 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.096 -3.092 5.299 1.00 0.00 C ATOM 87 CD1 ILE A 5 6.655 -0.813 3.182 1.00 0.00 C ATOM 0 H ILE A 5 10.647 -2.321 5.627 1.00 0.00 H new ATOM 0 HA ILE A 5 9.037 0.176 5.733 1.00 0.00 H new ATOM 0 HB ILE A 5 8.852 -1.617 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.158 -1.571 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.929 0.002 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.528 -3.622 4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.066 -3.573 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.548 -3.119 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.685 -0.335 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.431 -0.196 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.647 -1.794 2.707 1.00 0.00 H new ATOM 99 N LEU A 6 8.258 -0.130 8.076 1.00 0.00 N ATOM 100 CA LEU A 6 7.726 -0.317 9.453 1.00 0.00 C ATOM 101 C LEU A 6 6.239 0.050 9.512 1.00 0.00 C ATOM 102 O LEU A 6 5.636 0.019 10.566 1.00 0.00 O ATOM 103 CB LEU A 6 8.511 0.580 10.410 1.00 0.00 C ATOM 104 CG LEU A 6 9.972 0.128 10.454 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.038 -1.391 10.622 1.00 0.00 C ATOM 106 CD2 LEU A 6 10.665 0.524 9.148 1.00 0.00 C ATOM 0 H LEU A 6 8.388 0.840 7.790 1.00 0.00 H new ATOM 0 HA LEU A 6 7.835 -1.363 9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.451 1.618 10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.075 0.534 11.408 1.00 0.00 H new ATOM 0 HG LEU A 6 10.472 0.606 11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.080 -1.709 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.544 -1.676 11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.537 -1.872 9.782 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.706 0.203 9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.161 0.045 8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.622 1.606 9.027 1.00 0.00 H new ATOM 118 N THR A 7 5.645 0.397 8.397 1.00 0.00 N ATOM 119 CA THR A 7 4.195 0.761 8.402 1.00 0.00 C ATOM 120 C THR A 7 3.430 -0.160 9.359 1.00 0.00 C ATOM 121 O THR A 7 3.829 -1.281 9.607 1.00 0.00 O ATOM 122 CB THR A 7 3.621 0.604 6.991 1.00 0.00 C ATOM 123 OG1 THR A 7 2.203 0.627 7.056 1.00 0.00 O ATOM 124 CG2 THR A 7 4.084 -0.724 6.393 1.00 0.00 C ATOM 0 H THR A 7 6.101 0.444 7.486 1.00 0.00 H new ATOM 0 HA THR A 7 4.090 1.795 8.730 1.00 0.00 H new ATOM 0 HB THR A 7 3.971 1.423 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.842 -0.163 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.674 -0.833 5.389 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.173 -0.741 6.344 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.736 -1.546 7.019 1.00 0.00 H new ATOM 132 N ALA A 8 2.337 0.305 9.901 1.00 0.00 N ATOM 133 CA ALA A 8 1.551 -0.542 10.845 1.00 0.00 C ATOM 134 C ALA A 8 1.182 -1.858 10.170 1.00 0.00 C ATOM 135 O ALA A 8 1.477 -2.931 10.658 1.00 0.00 O ATOM 136 CB ALA A 8 0.276 0.197 11.255 1.00 0.00 C ATOM 0 H ALA A 8 1.954 1.235 9.731 1.00 0.00 H new ATOM 0 HA ALA A 8 2.153 -0.748 11.730 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.298 -0.422 11.945 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.540 1.135 11.743 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.324 0.406 10.369 1.00 0.00 H new ATOM 142 N SER A 9 0.541 -1.775 9.050 1.00 0.00 N ATOM 143 CA SER A 9 0.141 -3.007 8.315 1.00 0.00 C ATOM 144 C SER A 9 -0.876 -3.798 9.140 1.00 0.00 C ATOM 145 O SER A 9 -0.621 -4.176 10.266 1.00 0.00 O ATOM 146 CB SER A 9 1.378 -3.864 8.060 1.00 0.00 C ATOM 147 OG SER A 9 1.444 -4.899 9.033 1.00 0.00 O ATOM 0 H SER A 9 0.271 -0.900 8.602 1.00 0.00 H new ATOM 0 HA SER A 9 -0.314 -2.731 7.364 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.337 -4.293 7.059 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.276 -3.248 8.106 1.00 0.00 H new ATOM 0 HG SER A 9 1.161 -4.548 9.903 1.00 0.00 H new ATOM 153 N ARG A 10 -2.028 -4.048 8.582 1.00 0.00 N ATOM 154 CA ARG A 10 -3.073 -4.810 9.319 1.00 0.00 C ATOM 155 C ARG A 10 -4.328 -4.901 8.455 1.00 0.00 C ATOM 156 O ARG A 10 -4.518 -5.836 7.703 1.00 0.00 O ATOM 157 CB ARG A 10 -3.403 -4.086 10.625 1.00 0.00 C ATOM 158 CG ARG A 10 -2.793 -4.849 11.803 1.00 0.00 C ATOM 159 CD ARG A 10 -3.637 -4.611 13.056 1.00 0.00 C ATOM 160 NE ARG A 10 -4.016 -3.173 13.132 1.00 0.00 N ATOM 161 CZ ARG A 10 -3.090 -2.253 13.136 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.219 -2.208 14.106 1.00 0.00 N ATOM 163 NH2 ARG A 10 -3.035 -1.379 12.169 1.00 0.00 N ATOM 0 H ARG A 10 -2.291 -3.755 7.641 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.709 -5.813 9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.013 -3.068 10.597 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.483 -4.011 10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.750 -5.914 11.577 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.769 -4.518 11.973 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.532 -5.233 13.029 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.076 -4.898 13.945 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.999 -2.907 13.181 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.261 -2.892 14.862 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.496 -1.489 14.109 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.716 -1.415 11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.312 -0.660 12.172 1.00 0.00 H new ATOM 177 N LYS A 11 -5.174 -3.924 8.554 1.00 0.00 N ATOM 178 CA LYS A 11 -6.422 -3.920 7.740 1.00 0.00 C ATOM 179 C LYS A 11 -6.941 -2.490 7.624 1.00 0.00 C ATOM 180 O LYS A 11 -6.273 -1.544 7.991 1.00 0.00 O ATOM 181 CB LYS A 11 -7.489 -4.791 8.406 1.00 0.00 C ATOM 182 CG LYS A 11 -7.560 -4.461 9.899 1.00 0.00 C ATOM 183 CD LYS A 11 -7.871 -5.734 10.689 1.00 0.00 C ATOM 184 CE LYS A 11 -6.693 -6.703 10.583 1.00 0.00 C ATOM 185 NZ LYS A 11 -7.204 -8.100 10.510 1.00 0.00 N ATOM 0 H LYS A 11 -5.058 -3.118 9.168 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.203 -4.319 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.458 -4.618 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.251 -5.846 8.267 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.614 -4.035 10.233 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.330 -3.711 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.060 -5.489 11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.776 -6.202 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.099 -6.475 9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.036 -6.589 11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.403 -8.759 10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.753 -8.314 11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.814 -8.203 9.674 1.00 0.00 H new ATOM 199 N ILE A 12 -8.129 -2.326 7.118 1.00 0.00 N ATOM 200 CA ILE A 12 -8.698 -0.962 6.975 1.00 0.00 C ATOM 201 C ILE A 12 -10.223 -1.056 6.943 1.00 0.00 C ATOM 202 O ILE A 12 -10.785 -2.030 6.482 1.00 0.00 O ATOM 203 CB ILE A 12 -8.211 -0.332 5.669 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.698 -0.104 5.733 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.921 1.005 5.464 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.382 0.927 6.818 1.00 0.00 C ATOM 0 H ILE A 12 -8.733 -3.083 6.796 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.378 -0.348 7.817 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.435 -1.000 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.187 -1.042 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.331 0.244 4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.579 1.460 4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.997 0.841 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.694 1.669 6.298 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.305 1.089 6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.881 1.867 6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.735 0.560 7.782 1.00 0.00 H new ATOM 218 N LYS A 13 -10.897 -0.050 7.419 1.00 0.00 N ATOM 219 CA LYS A 13 -12.384 -0.080 7.404 1.00 0.00 C ATOM 220 C LYS A 13 -12.892 1.075 6.544 1.00 0.00 C ATOM 221 O LYS A 13 -13.280 2.110 7.048 1.00 0.00 O ATOM 222 CB LYS A 13 -12.914 0.070 8.832 1.00 0.00 C ATOM 223 CG LYS A 13 -12.431 -1.107 9.682 1.00 0.00 C ATOM 224 CD LYS A 13 -13.592 -2.072 9.926 1.00 0.00 C ATOM 225 CE LYS A 13 -13.120 -3.509 9.697 1.00 0.00 C ATOM 226 NZ LYS A 13 -13.231 -3.844 8.249 1.00 0.00 N ATOM 0 H LYS A 13 -10.483 0.792 7.818 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.732 -1.028 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.568 1.010 9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.003 0.105 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.615 -1.624 9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.039 -0.746 10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.965 -1.959 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.419 -1.839 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.088 -3.621 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.722 -4.199 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.058 -4.860 8.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.185 -3.607 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.528 -3.298 7.711 1.00 0.00 H new ATOM 240 N ILE A 14 -12.891 0.913 5.248 1.00 0.00 N ATOM 241 CA ILE A 14 -13.374 2.014 4.370 1.00 0.00 C ATOM 242 C ILE A 14 -14.848 1.767 4.030 1.00 0.00 C ATOM 243 O ILE A 14 -15.343 0.663 4.142 1.00 0.00 O ATOM 244 CB ILE A 14 -12.524 2.059 3.090 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.083 1.645 3.424 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.530 3.480 2.520 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.153 1.936 2.237 1.00 0.00 C ATOM 0 H ILE A 14 -12.579 0.072 4.763 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.281 2.972 4.881 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.939 1.373 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.738 2.185 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.050 0.583 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.927 3.511 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.553 3.774 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.114 4.169 3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.136 1.637 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.490 1.375 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.172 3.002 2.012 1.00 0.00 H new ATOM 259 N LYS A 15 -15.559 2.781 3.630 1.00 0.00 N ATOM 260 CA LYS A 15 -16.999 2.587 3.296 1.00 0.00 C ATOM 261 C LYS A 15 -17.171 2.662 1.779 1.00 0.00 C ATOM 262 O LYS A 15 -16.341 3.207 1.080 1.00 0.00 O ATOM 263 CB LYS A 15 -17.835 3.678 3.969 1.00 0.00 C ATOM 264 CG LYS A 15 -19.287 3.216 4.091 1.00 0.00 C ATOM 265 CD LYS A 15 -19.830 3.601 5.468 1.00 0.00 C ATOM 266 CE LYS A 15 -21.180 2.921 5.695 1.00 0.00 C ATOM 267 NZ LYS A 15 -21.327 2.580 7.138 1.00 0.00 N ATOM 0 H LYS A 15 -15.209 3.733 3.519 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.334 1.614 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.431 3.902 4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.784 4.599 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.892 3.673 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.349 2.137 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.126 3.302 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.940 4.683 5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.989 3.581 5.382 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.252 2.019 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.245 2.117 7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.562 1.935 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.277 3.449 7.707 1.00 0.00 H new ATOM 281 N ALA A 16 -18.234 2.118 1.257 1.00 0.00 N ATOM 282 CA ALA A 16 -18.434 2.169 -0.217 1.00 0.00 C ATOM 283 C ALA A 16 -18.672 3.619 -0.643 1.00 0.00 C ATOM 284 O ALA A 16 -19.287 4.388 0.064 1.00 0.00 O ATOM 285 CB ALA A 16 -19.639 1.318 -0.605 1.00 0.00 C ATOM 0 H ALA A 16 -18.968 1.644 1.783 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.547 1.780 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.781 1.359 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.468 0.285 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.530 1.701 -0.107 1.00 0.00 H new ATOM 291 N GLY A 17 -18.191 3.991 -1.796 1.00 0.00 N ATOM 292 CA GLY A 17 -18.375 5.390 -2.279 1.00 0.00 C ATOM 293 C GLY A 17 -17.735 6.367 -1.288 1.00 0.00 C ATOM 294 O GLY A 17 -18.243 7.446 -1.055 1.00 0.00 O ATOM 0 H GLY A 17 -17.674 3.382 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.923 5.507 -3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.437 5.611 -2.388 1.00 0.00 H new ATOM 298 N PHE A 18 -16.630 5.997 -0.687 1.00 0.00 N ATOM 299 CA PHE A 18 -15.981 6.917 0.304 1.00 0.00 C ATOM 300 C PHE A 18 -14.566 7.294 -0.132 1.00 0.00 C ATOM 301 O PHE A 18 -14.125 6.987 -1.224 1.00 0.00 O ATOM 302 CB PHE A 18 -15.888 6.233 1.666 1.00 0.00 C ATOM 303 CG PHE A 18 -17.119 6.543 2.472 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.377 6.385 1.894 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.005 6.971 3.799 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.530 6.657 2.637 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.157 7.243 4.547 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.421 7.085 3.965 1.00 0.00 C ATOM 0 H PHE A 18 -16.152 5.108 -0.836 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.593 7.817 0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.788 5.155 1.537 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.999 6.575 2.196 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.462 6.052 0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.029 7.092 4.246 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.504 6.537 2.186 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.071 7.574 5.571 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.311 7.293 4.540 1.00 0.00 H new ATOM 318 N THR A 19 -13.852 7.958 0.743 1.00 0.00 N ATOM 319 CA THR A 19 -12.458 8.372 0.432 1.00 0.00 C ATOM 320 C THR A 19 -11.532 7.932 1.571 1.00 0.00 C ATOM 321 O THR A 19 -11.778 8.215 2.727 1.00 0.00 O ATOM 322 CB THR A 19 -12.401 9.895 0.291 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.739 10.496 1.534 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.392 10.346 -0.783 1.00 0.00 C ATOM 0 H THR A 19 -14.183 8.232 1.668 1.00 0.00 H new ATOM 0 HA THR A 19 -12.137 7.907 -0.500 1.00 0.00 H new ATOM 0 HB THR A 19 -11.394 10.197 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.612 9.847 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.351 11.431 -0.883 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.132 9.884 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.400 10.046 -0.497 1.00 0.00 H new ATOM 332 N HIS A 20 -10.473 7.239 1.255 1.00 0.00 N ATOM 333 CA HIS A 20 -9.536 6.777 2.323 1.00 0.00 C ATOM 334 C HIS A 20 -8.155 7.407 2.111 1.00 0.00 C ATOM 335 O HIS A 20 -7.835 7.878 1.039 1.00 0.00 O ATOM 336 CB HIS A 20 -9.405 5.255 2.247 1.00 0.00 C ATOM 337 CG HIS A 20 -9.391 4.664 3.624 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.517 4.641 4.429 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.399 4.049 4.343 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.180 4.027 5.575 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.899 3.650 5.578 1.00 0.00 N ATOM 0 H HIS A 20 -10.214 6.972 0.305 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.924 7.074 3.297 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.235 4.840 1.674 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.489 4.988 1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.385 3.898 4.003 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.862 3.859 6.395 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.395 3.172 6.325 1.00 0.00 H new ATOM 349 N ASN A 21 -7.330 7.401 3.123 1.00 0.00 N ATOM 350 CA ASN A 21 -5.963 7.979 2.978 1.00 0.00 C ATOM 351 C ASN A 21 -4.949 6.982 3.545 1.00 0.00 C ATOM 352 O ASN A 21 -4.523 7.076 4.678 1.00 0.00 O ATOM 353 CB ASN A 21 -5.869 9.311 3.729 1.00 0.00 C ATOM 354 CG ASN A 21 -6.861 9.323 4.895 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.881 9.981 4.834 1.00 0.00 O ATOM 356 ND2 ASN A 21 -6.604 8.618 5.963 1.00 0.00 N ATOM 0 H ASN A 21 -7.544 7.020 4.045 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.751 8.165 1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.855 9.458 4.101 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.082 10.137 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.259 8.620 6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.748 8.065 6.016 1.00 0.00 H new ATOM 363 N LEU A 22 -4.585 6.012 2.755 1.00 0.00 N ATOM 364 CA LEU A 22 -3.624 4.966 3.207 1.00 0.00 C ATOM 365 C LEU A 22 -2.217 5.547 3.368 1.00 0.00 C ATOM 366 O LEU A 22 -1.740 6.292 2.533 1.00 0.00 O ATOM 367 CB LEU A 22 -3.599 3.867 2.151 1.00 0.00 C ATOM 368 CG LEU A 22 -2.658 2.741 2.569 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.180 1.431 1.986 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.254 3.006 2.021 1.00 0.00 C ATOM 0 H LEU A 22 -4.918 5.897 1.798 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.940 4.575 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.605 3.472 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.277 4.281 1.195 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.614 2.685 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.518 0.615 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.183 1.237 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.212 1.504 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.587 2.198 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.292 3.058 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.882 3.951 2.416 1.00 0.00 H new ATOM 382 N GLU A 23 -1.543 5.189 4.431 1.00 0.00 N ATOM 383 CA GLU A 23 -0.159 5.695 4.656 1.00 0.00 C ATOM 384 C GLU A 23 0.775 4.511 4.938 1.00 0.00 C ATOM 385 O GLU A 23 0.343 3.454 5.354 1.00 0.00 O ATOM 386 CB GLU A 23 -0.153 6.648 5.853 1.00 0.00 C ATOM 387 CG GLU A 23 0.973 7.671 5.686 1.00 0.00 C ATOM 388 CD GLU A 23 1.872 7.648 6.923 1.00 0.00 C ATOM 389 OE1 GLU A 23 1.572 8.365 7.863 1.00 0.00 O ATOM 390 OE2 GLU A 23 2.846 6.912 6.909 1.00 0.00 O ATOM 0 H GLU A 23 -1.896 4.564 5.156 1.00 0.00 H new ATOM 0 HA GLU A 23 0.185 6.227 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.113 7.158 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.015 6.087 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.557 7.442 4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.555 8.668 5.546 1.00 0.00 H new ATOM 397 N VAL A 24 2.050 4.681 4.711 1.00 0.00 N ATOM 398 CA VAL A 24 3.019 3.570 4.957 1.00 0.00 C ATOM 399 C VAL A 24 4.428 4.154 5.092 1.00 0.00 C ATOM 400 O VAL A 24 4.825 5.012 4.331 1.00 0.00 O ATOM 401 CB VAL A 24 2.981 2.587 3.775 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.276 1.766 3.723 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.799 1.633 3.938 1.00 0.00 C ATOM 0 H VAL A 24 2.465 5.546 4.364 1.00 0.00 H new ATOM 0 HA VAL A 24 2.751 3.044 5.873 1.00 0.00 H new ATOM 0 HB VAL A 24 2.877 3.158 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.235 1.075 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.127 2.436 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.387 1.203 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.774 0.938 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.907 1.076 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.871 2.204 3.963 1.00 0.00 H new ATOM 413 N ASP A 25 5.191 3.690 6.045 1.00 0.00 N ATOM 414 CA ASP A 25 6.575 4.215 6.213 1.00 0.00 C ATOM 415 C ASP A 25 7.579 3.108 5.897 1.00 0.00 C ATOM 416 O ASP A 25 7.471 2.004 6.392 1.00 0.00 O ATOM 417 CB ASP A 25 6.770 4.690 7.654 1.00 0.00 C ATOM 418 CG ASP A 25 6.146 6.077 7.822 1.00 0.00 C ATOM 419 OD1 ASP A 25 5.326 6.439 6.994 1.00 0.00 O ATOM 420 OD2 ASP A 25 6.498 6.752 8.774 1.00 0.00 O ATOM 0 H ASP A 25 4.915 2.971 6.713 1.00 0.00 H new ATOM 0 HA ASP A 25 6.733 5.052 5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.309 3.986 8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.832 4.725 7.896 1.00 0.00 H new ATOM 425 N PHE A 26 8.560 3.386 5.076 1.00 0.00 N ATOM 426 CA PHE A 26 9.557 2.328 4.749 1.00 0.00 C ATOM 427 C PHE A 26 10.798 2.953 4.112 1.00 0.00 C ATOM 428 O PHE A 26 10.737 3.542 3.053 1.00 0.00 O ATOM 429 CB PHE A 26 8.924 1.301 3.792 1.00 0.00 C ATOM 430 CG PHE A 26 9.018 1.762 2.355 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.178 1.508 1.611 1.00 0.00 C ATOM 432 CD2 PHE A 26 7.940 2.430 1.764 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.259 1.927 0.278 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.020 2.845 0.430 1.00 0.00 C ATOM 435 CZ PHE A 26 9.180 2.595 -0.313 1.00 0.00 C ATOM 0 H PHE A 26 8.711 4.288 4.624 1.00 0.00 H new ATOM 0 HA PHE A 26 9.858 1.822 5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.426 0.340 3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.879 1.147 4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.009 0.989 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.046 2.625 2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.154 1.735 -0.295 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.187 3.358 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.242 2.917 -1.342 1.00 0.00 H new ATOM 445 N ILE A 27 11.929 2.819 4.746 1.00 0.00 N ATOM 446 CA ILE A 27 13.174 3.396 4.167 1.00 0.00 C ATOM 447 C ILE A 27 13.703 2.437 3.107 1.00 0.00 C ATOM 448 O ILE A 27 13.290 1.297 3.035 1.00 0.00 O ATOM 449 CB ILE A 27 14.226 3.571 5.266 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.884 4.779 6.146 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.601 3.792 4.631 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.370 4.878 6.361 1.00 0.00 C ATOM 0 H ILE A 27 12.045 2.337 5.637 1.00 0.00 H new ATOM 0 HA ILE A 27 12.960 4.369 3.724 1.00 0.00 H new ATOM 0 HB ILE A 27 14.239 2.671 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.388 4.689 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.251 5.692 5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.348 3.916 5.415 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.860 2.930 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.575 4.687 4.009 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.147 5.741 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.872 4.991 5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.012 3.972 6.850 1.00 0.00 H new ATOM 464 N GLY A 28 14.613 2.886 2.287 1.00 0.00 N ATOM 465 CA GLY A 28 15.168 1.994 1.233 1.00 0.00 C ATOM 466 C GLY A 28 16.002 2.816 0.253 1.00 0.00 C ATOM 467 O GLY A 28 15.754 3.986 0.040 1.00 0.00 O ATOM 0 H GLY A 28 14.995 3.832 2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.783 1.217 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.358 1.491 0.704 1.00 0.00 H new ATOM 471 N ALA A 29 16.988 2.214 -0.352 1.00 0.00 N ATOM 472 CA ALA A 29 17.828 2.966 -1.323 1.00 0.00 C ATOM 473 C ALA A 29 19.014 2.098 -1.760 1.00 0.00 C ATOM 474 O ALA A 29 19.257 1.054 -1.191 1.00 0.00 O ATOM 475 CB ALA A 29 18.333 4.253 -0.671 1.00 0.00 C ATOM 0 H ALA A 29 17.247 1.237 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 29 17.232 3.219 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.948 4.804 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.483 4.868 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.928 4.006 0.208 1.00 0.00 H new ATOM 481 N PRO A 30 19.704 2.553 -2.777 1.00 0.00 N ATOM 482 CA PRO A 30 19.394 3.824 -3.455 1.00 0.00 C ATOM 483 C PRO A 30 18.129 3.688 -4.298 1.00 0.00 C ATOM 484 O PRO A 30 17.820 2.633 -4.816 1.00 0.00 O ATOM 485 CB PRO A 30 20.620 4.079 -4.332 1.00 0.00 C ATOM 486 CG PRO A 30 21.289 2.706 -4.540 1.00 0.00 C ATOM 487 CD PRO A 30 20.845 1.821 -3.360 1.00 0.00 C ATOM 0 HA PRO A 30 19.203 4.642 -2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.332 4.521 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.305 4.778 -3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.986 2.267 -5.490 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.374 2.803 -4.566 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.552 0.826 -3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.648 1.690 -2.635 1.00 0.00 H new ATOM 495 N ASP A 31 17.402 4.758 -4.428 1.00 0.00 N ATOM 496 CA ASP A 31 16.143 4.735 -5.225 1.00 0.00 C ATOM 497 C ASP A 31 15.405 3.411 -5.000 1.00 0.00 C ATOM 498 O ASP A 31 15.570 2.475 -5.758 1.00 0.00 O ATOM 499 CB ASP A 31 16.477 4.891 -6.709 1.00 0.00 C ATOM 500 CG ASP A 31 16.249 6.343 -7.134 1.00 0.00 C ATOM 501 OD1 ASP A 31 16.593 7.225 -6.365 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.734 6.548 -8.220 1.00 0.00 O ATOM 0 H ASP A 31 17.628 5.661 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 31 15.502 5.557 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.513 4.606 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.854 4.224 -7.305 1.00 0.00 H new ATOM 507 N PRO A 32 14.611 3.374 -3.960 1.00 0.00 N ATOM 508 CA PRO A 32 13.827 2.180 -3.599 1.00 0.00 C ATOM 509 C PRO A 32 12.575 2.077 -4.476 1.00 0.00 C ATOM 510 O PRO A 32 12.088 3.061 -4.996 1.00 0.00 O ATOM 511 CB PRO A 32 13.439 2.435 -2.140 1.00 0.00 C ATOM 512 CG PRO A 32 13.514 3.966 -1.932 1.00 0.00 C ATOM 513 CD PRO A 32 14.423 4.519 -3.046 1.00 0.00 C ATOM 0 HA PRO A 32 14.378 1.250 -3.738 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.435 2.063 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.116 1.917 -1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.521 4.413 -1.985 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.919 4.204 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.960 5.364 -3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.374 4.870 -2.646 1.00 0.00 H new ATOM 521 N THR A 33 12.046 0.895 -4.636 1.00 0.00 N ATOM 522 CA THR A 33 10.822 0.735 -5.470 1.00 0.00 C ATOM 523 C THR A 33 9.705 0.146 -4.609 1.00 0.00 C ATOM 524 O THR A 33 9.829 -0.940 -4.080 1.00 0.00 O ATOM 525 CB THR A 33 11.117 -0.208 -6.639 1.00 0.00 C ATOM 526 OG1 THR A 33 11.951 0.452 -7.580 1.00 0.00 O ATOM 527 CG2 THR A 33 9.805 -0.614 -7.312 1.00 0.00 C ATOM 0 H THR A 33 12.408 0.034 -4.226 1.00 0.00 H new ATOM 0 HA THR A 33 10.514 1.705 -5.860 1.00 0.00 H new ATOM 0 HB THR A 33 11.623 -1.099 -6.269 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.142 -0.152 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.016 -1.285 -8.144 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.167 -1.122 -6.589 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.296 0.276 -7.683 1.00 0.00 H new ATOM 535 N ALA A 34 8.616 0.854 -4.458 1.00 0.00 N ATOM 536 CA ALA A 34 7.497 0.331 -3.624 1.00 0.00 C ATOM 537 C ALA A 34 6.250 0.140 -4.489 1.00 0.00 C ATOM 538 O ALA A 34 5.578 1.087 -4.846 1.00 0.00 O ATOM 539 CB ALA A 34 7.193 1.319 -2.496 1.00 0.00 C ATOM 0 H ALA A 34 8.455 1.770 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 34 7.787 -0.629 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.375 0.935 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.079 1.446 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.908 2.281 -2.922 1.00 0.00 H new ATOM 545 N THR A 35 5.934 -1.082 -4.822 1.00 0.00 N ATOM 546 CA THR A 35 4.729 -1.341 -5.658 1.00 0.00 C ATOM 547 C THR A 35 3.520 -1.556 -4.747 1.00 0.00 C ATOM 548 O THR A 35 3.592 -2.262 -3.758 1.00 0.00 O ATOM 549 CB THR A 35 4.956 -2.592 -6.509 1.00 0.00 C ATOM 550 OG1 THR A 35 3.845 -2.781 -7.374 1.00 0.00 O ATOM 551 CG2 THR A 35 5.109 -3.811 -5.598 1.00 0.00 C ATOM 0 H THR A 35 6.460 -1.913 -4.550 1.00 0.00 H new ATOM 0 HA THR A 35 4.548 -0.488 -6.312 1.00 0.00 H new ATOM 0 HB THR A 35 5.862 -2.469 -7.102 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.989 -3.581 -7.921 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.271 -4.701 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.961 -3.665 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.204 -3.937 -5.004 1.00 0.00 H new ATOM 559 N TRP A 36 2.409 -0.951 -5.072 1.00 0.00 N ATOM 560 CA TRP A 36 1.195 -1.116 -4.226 1.00 0.00 C ATOM 561 C TRP A 36 0.315 -2.234 -4.805 1.00 0.00 C ATOM 562 O TRP A 36 -0.344 -2.086 -5.831 1.00 0.00 O ATOM 563 CB TRP A 36 0.432 0.206 -4.180 1.00 0.00 C ATOM 564 CG TRP A 36 0.892 0.992 -2.988 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.710 2.073 -3.028 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.588 0.768 -1.581 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.906 2.533 -1.739 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.238 1.762 -0.813 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.185 -0.187 -0.905 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.122 1.806 0.576 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.302 -0.149 0.492 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.349 0.846 1.231 1.00 0.00 C ATOM 0 H TRP A 36 2.291 -0.350 -5.887 1.00 0.00 H new ATOM 0 HA TRP A 36 1.480 -1.392 -3.211 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.605 0.773 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.640 0.020 -4.118 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.138 2.504 -3.921 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.476 3.345 -1.502 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.694 -0.958 -1.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.626 2.577 1.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.898 -0.892 1.001 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.253 0.871 2.306 1.00 0.00 H new ATOM 583 N THR A 37 0.312 -3.369 -4.162 1.00 0.00 N ATOM 584 CA THR A 37 -0.504 -4.497 -4.682 1.00 0.00 C ATOM 585 C THR A 37 -1.789 -4.649 -3.880 1.00 0.00 C ATOM 586 O THR A 37 -1.920 -4.176 -2.767 1.00 0.00 O ATOM 587 CB THR A 37 0.293 -5.805 -4.633 1.00 0.00 C ATOM 588 OG1 THR A 37 1.425 -5.641 -3.790 1.00 0.00 O ATOM 589 CG2 THR A 37 0.757 -6.180 -6.041 1.00 0.00 C ATOM 0 H THR A 37 0.834 -3.562 -3.307 1.00 0.00 H new ATOM 0 HA THR A 37 -0.761 -4.275 -5.718 1.00 0.00 H new ATOM 0 HB THR A 37 -0.343 -6.598 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.141 -5.663 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.323 -7.111 -6.002 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.111 -6.310 -6.687 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.390 -5.387 -6.439 1.00 0.00 H new ATOM 597 N VAL A 38 -2.750 -5.293 -4.471 1.00 0.00 N ATOM 598 CA VAL A 38 -4.062 -5.471 -3.809 1.00 0.00 C ATOM 599 C VAL A 38 -4.185 -6.874 -3.213 1.00 0.00 C ATOM 600 O VAL A 38 -5.253 -7.452 -3.161 1.00 0.00 O ATOM 601 CB VAL A 38 -5.134 -5.231 -4.864 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.242 -6.441 -5.786 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.468 -4.964 -4.191 1.00 0.00 C ATOM 0 H VAL A 38 -2.679 -5.709 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.174 -4.768 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.858 -4.361 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.011 -6.259 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.285 -6.608 -6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.507 -7.322 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.231 -4.793 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.748 -5.824 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.385 -4.082 -3.555 1.00 0.00 H new ATOM 613 N GLY A 39 -3.099 -7.398 -2.733 1.00 0.00 N ATOM 614 CA GLY A 39 -3.108 -8.752 -2.101 1.00 0.00 C ATOM 615 C GLY A 39 -4.081 -9.680 -2.831 1.00 0.00 C ATOM 616 O GLY A 39 -5.263 -9.702 -2.549 1.00 0.00 O ATOM 0 H GLY A 39 -2.187 -6.942 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.105 -9.177 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.394 -8.668 -1.053 1.00 0.00 H new ATOM 620 N ASP A 40 -3.595 -10.452 -3.763 1.00 0.00 N ATOM 621 CA ASP A 40 -4.492 -11.381 -4.503 1.00 0.00 C ATOM 622 C ASP A 40 -3.693 -12.100 -5.592 1.00 0.00 C ATOM 623 O ASP A 40 -4.024 -12.045 -6.759 1.00 0.00 O ATOM 624 CB ASP A 40 -5.630 -10.585 -5.140 1.00 0.00 C ATOM 625 CG ASP A 40 -6.924 -10.834 -4.365 1.00 0.00 C ATOM 626 OD1 ASP A 40 -6.849 -11.421 -3.298 1.00 0.00 O ATOM 627 OD2 ASP A 40 -7.969 -10.434 -4.851 1.00 0.00 O ATOM 0 H ASP A 40 -2.615 -10.479 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.906 -12.117 -3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.390 -9.522 -5.136 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.755 -10.880 -6.182 1.00 0.00 H new ATOM 632 N SER A 41 -2.644 -12.778 -5.213 1.00 0.00 N ATOM 633 CA SER A 41 -1.822 -13.508 -6.217 1.00 0.00 C ATOM 634 C SER A 41 -1.141 -12.507 -7.153 1.00 0.00 C ATOM 635 O SER A 41 -1.246 -12.603 -8.360 1.00 0.00 O ATOM 636 CB SER A 41 -2.725 -14.434 -7.026 1.00 0.00 C ATOM 637 OG SER A 41 -1.969 -15.547 -7.485 1.00 0.00 O ATOM 0 H SER A 41 -2.321 -12.857 -4.249 1.00 0.00 H new ATOM 0 HA SER A 41 -1.059 -14.095 -5.706 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.559 -14.775 -6.412 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.152 -13.896 -7.873 1.00 0.00 H new ATOM 0 HG SER A 41 -2.548 -16.144 -8.004 1.00 0.00 H new ATOM 643 N GLY A 42 -0.441 -11.548 -6.610 1.00 0.00 N ATOM 644 CA GLY A 42 0.244 -10.548 -7.474 1.00 0.00 C ATOM 645 C GLY A 42 -0.742 -9.445 -7.858 1.00 0.00 C ATOM 646 O GLY A 42 -0.385 -8.475 -8.497 1.00 0.00 O ATOM 0 H GLY A 42 -0.315 -11.415 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.097 -10.120 -6.947 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.632 -11.031 -8.370 1.00 0.00 H new ATOM 650 N ALA A 43 -1.983 -9.582 -7.475 1.00 0.00 N ATOM 651 CA ALA A 43 -2.983 -8.539 -7.820 1.00 0.00 C ATOM 652 C ALA A 43 -2.397 -7.164 -7.513 1.00 0.00 C ATOM 653 O ALA A 43 -1.600 -7.007 -6.610 1.00 0.00 O ATOM 654 CB ALA A 43 -4.252 -8.751 -6.995 1.00 0.00 C ATOM 0 H ALA A 43 -2.344 -10.371 -6.939 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.230 -8.605 -8.880 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.984 -7.985 -7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.667 -9.735 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.012 -8.684 -5.934 1.00 0.00 H new ATOM 660 N ALA A 44 -2.781 -6.165 -8.255 1.00 0.00 N ATOM 661 CA ALA A 44 -2.239 -4.802 -7.999 1.00 0.00 C ATOM 662 C ALA A 44 -3.390 -3.804 -7.909 1.00 0.00 C ATOM 663 O ALA A 44 -4.463 -4.039 -8.429 1.00 0.00 O ATOM 664 CB ALA A 44 -1.305 -4.401 -9.142 1.00 0.00 C ATOM 0 H ALA A 44 -3.445 -6.232 -9.026 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.685 -4.803 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.908 -3.403 -8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.482 -5.113 -9.206 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.858 -4.401 -10.081 1.00 0.00 H new ATOM 670 N LEU A 45 -3.185 -2.679 -7.272 1.00 0.00 N ATOM 671 CA LEU A 45 -4.305 -1.685 -7.198 1.00 0.00 C ATOM 672 C LEU A 45 -3.807 -0.298 -7.601 1.00 0.00 C ATOM 673 O LEU A 45 -2.636 0.008 -7.503 1.00 0.00 O ATOM 674 CB LEU A 45 -4.948 -1.658 -5.796 1.00 0.00 C ATOM 675 CG LEU A 45 -4.033 -1.024 -4.746 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.652 -1.634 -4.834 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.950 0.490 -4.957 1.00 0.00 C ATOM 0 H LEU A 45 -2.317 -2.408 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.079 -1.994 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.885 -1.103 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.194 -2.676 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.447 -1.216 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.005 -1.179 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.716 -2.707 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.238 -1.456 -5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.296 0.927 -4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.549 0.698 -5.949 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.946 0.925 -4.869 1.00 0.00 H new ATOM 689 N ALA A 46 -4.695 0.539 -8.072 1.00 0.00 N ATOM 690 CA ALA A 46 -4.281 1.902 -8.504 1.00 0.00 C ATOM 691 C ALA A 46 -5.405 2.566 -9.316 1.00 0.00 C ATOM 692 O ALA A 46 -5.827 3.660 -8.996 1.00 0.00 O ATOM 693 CB ALA A 46 -3.024 1.800 -9.369 1.00 0.00 C ATOM 0 H ALA A 46 -5.689 0.335 -8.175 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.075 2.507 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.719 2.797 -9.687 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.221 1.342 -8.792 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.235 1.188 -10.246 1.00 0.00 H new ATOM 699 N PRO A 47 -5.857 1.892 -10.348 1.00 0.00 N ATOM 700 CA PRO A 47 -6.924 2.418 -11.220 1.00 0.00 C ATOM 701 C PRO A 47 -8.268 2.416 -10.490 1.00 0.00 C ATOM 702 O PRO A 47 -9.255 2.927 -10.981 1.00 0.00 O ATOM 703 CB PRO A 47 -6.916 1.469 -12.422 1.00 0.00 C ATOM 704 CG PRO A 47 -6.242 0.165 -11.942 1.00 0.00 C ATOM 705 CD PRO A 47 -5.371 0.547 -10.729 1.00 0.00 C ATOM 0 HA PRO A 47 -6.765 3.454 -11.520 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.930 1.276 -12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.368 1.905 -13.258 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.989 -0.579 -11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.634 -0.273 -12.734 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.489 -0.166 -9.913 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.312 0.564 -10.987 1.00 0.00 H new ATOM 713 N GLU A 48 -8.302 1.876 -9.306 1.00 0.00 N ATOM 714 CA GLU A 48 -9.566 1.873 -8.521 1.00 0.00 C ATOM 715 C GLU A 48 -9.418 2.886 -7.385 1.00 0.00 C ATOM 716 O GLU A 48 -10.155 2.874 -6.419 1.00 0.00 O ATOM 717 CB GLU A 48 -9.811 0.478 -7.941 1.00 0.00 C ATOM 718 CG GLU A 48 -11.220 0.411 -7.350 1.00 0.00 C ATOM 719 CD GLU A 48 -12.242 0.795 -8.420 1.00 0.00 C ATOM 720 OE1 GLU A 48 -12.272 0.135 -9.446 1.00 0.00 O ATOM 721 OE2 GLU A 48 -12.978 1.741 -8.196 1.00 0.00 O ATOM 0 H GLU A 48 -7.506 1.435 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.409 2.138 -9.159 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.695 -0.276 -8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.071 0.258 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.424 -0.595 -6.982 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.300 1.085 -6.497 1.00 0.00 H new ATOM 728 N LEU A 49 -8.451 3.757 -7.499 1.00 0.00 N ATOM 729 CA LEU A 49 -8.213 4.771 -6.449 1.00 0.00 C ATOM 730 C LEU A 49 -6.998 5.599 -6.857 1.00 0.00 C ATOM 731 O LEU A 49 -6.600 5.608 -8.004 1.00 0.00 O ATOM 732 CB LEU A 49 -7.941 4.059 -5.128 1.00 0.00 C ATOM 733 CG LEU A 49 -6.755 3.113 -5.299 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.782 3.296 -4.138 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.258 1.670 -5.317 1.00 0.00 C ATOM 0 H LEU A 49 -7.810 3.804 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.080 5.421 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.729 4.788 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.823 3.501 -4.814 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.245 3.336 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.936 2.620 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.424 4.325 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.290 3.074 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.413 0.992 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.767 1.450 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.953 1.537 -6.146 1.00 0.00 H new ATOM 747 N LEU A 50 -6.397 6.282 -5.936 1.00 0.00 N ATOM 748 CA LEU A 50 -5.194 7.092 -6.282 1.00 0.00 C ATOM 749 C LEU A 50 -4.026 6.546 -5.461 1.00 0.00 C ATOM 750 O LEU A 50 -4.224 6.002 -4.399 1.00 0.00 O ATOM 751 CB LEU A 50 -5.470 8.571 -5.957 1.00 0.00 C ATOM 752 CG LEU A 50 -4.268 9.460 -6.317 1.00 0.00 C ATOM 753 CD1 LEU A 50 -3.117 9.237 -5.329 1.00 0.00 C ATOM 754 CD2 LEU A 50 -3.797 9.145 -7.740 1.00 0.00 C ATOM 0 H LEU A 50 -6.681 6.319 -4.957 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.954 7.027 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.350 8.907 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.697 8.675 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.579 10.503 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.276 9.875 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.450 9.485 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.806 8.193 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.945 9.778 -7.990 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.502 8.098 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.609 9.335 -8.442 1.00 0.00 H new ATOM 766 N VAL A 51 -2.818 6.643 -5.942 1.00 0.00 N ATOM 767 CA VAL A 51 -1.682 6.081 -5.157 1.00 0.00 C ATOM 768 C VAL A 51 -0.479 7.026 -5.189 1.00 0.00 C ATOM 769 O VAL A 51 -0.138 7.591 -6.210 1.00 0.00 O ATOM 770 CB VAL A 51 -1.277 4.730 -5.747 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.125 4.140 -4.930 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.472 3.776 -5.700 1.00 0.00 C ATOM 0 H VAL A 51 -2.569 7.079 -6.830 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.002 5.958 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.958 4.866 -6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.164 3.177 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.727 4.819 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.444 4.004 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.185 2.812 -6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.789 3.641 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.295 4.194 -6.280 1.00 0.00 H new ATOM 782 N ASP A 52 0.175 7.180 -4.071 1.00 0.00 N ATOM 783 CA ASP A 52 1.374 8.061 -4.005 1.00 0.00 C ATOM 784 C ASP A 52 2.475 7.310 -3.258 1.00 0.00 C ATOM 785 O ASP A 52 2.201 6.436 -2.459 1.00 0.00 O ATOM 786 CB ASP A 52 1.027 9.349 -3.255 1.00 0.00 C ATOM 787 CG ASP A 52 1.007 10.522 -4.237 1.00 0.00 C ATOM 788 OD1 ASP A 52 1.662 10.423 -5.261 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.337 11.500 -3.947 1.00 0.00 O ATOM 0 H ASP A 52 -0.073 6.728 -3.191 1.00 0.00 H new ATOM 0 HA ASP A 52 1.708 8.320 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.056 9.250 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.758 9.532 -2.468 1.00 0.00 H new ATOM 794 N ALA A 53 3.716 7.616 -3.505 1.00 0.00 N ATOM 795 CA ALA A 53 4.791 6.875 -2.791 1.00 0.00 C ATOM 796 C ALA A 53 6.107 7.657 -2.829 1.00 0.00 C ATOM 797 O ALA A 53 6.409 8.346 -3.783 1.00 0.00 O ATOM 798 CB ALA A 53 4.977 5.513 -3.458 1.00 0.00 C ATOM 0 H ALA A 53 4.030 8.334 -4.158 1.00 0.00 H new ATOM 0 HA ALA A 53 4.504 6.745 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.763 4.960 -2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.044 4.952 -3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.257 5.654 -4.502 1.00 0.00 H new ATOM 804 N LYS A 54 6.893 7.546 -1.789 1.00 0.00 N ATOM 805 CA LYS A 54 8.195 8.272 -1.749 1.00 0.00 C ATOM 806 C LYS A 54 9.330 7.298 -1.397 1.00 0.00 C ATOM 807 O LYS A 54 9.115 6.208 -0.903 1.00 0.00 O ATOM 808 CB LYS A 54 8.106 9.441 -0.740 1.00 0.00 C ATOM 809 CG LYS A 54 9.206 9.378 0.334 1.00 0.00 C ATOM 810 CD LYS A 54 10.501 9.977 -0.224 1.00 0.00 C ATOM 811 CE LYS A 54 10.981 11.105 0.691 1.00 0.00 C ATOM 812 NZ LYS A 54 10.036 12.254 0.602 1.00 0.00 N ATOM 0 H LYS A 54 6.687 6.982 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 54 8.415 8.691 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.181 10.387 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.129 9.426 -0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.893 9.926 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.373 8.345 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.267 9.206 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.333 10.359 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.044 10.751 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.983 11.421 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.514 13.122 0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.722 12.370 -0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.212 12.073 1.210 1.00 0.00 H new ATOM 826 N SER A 55 10.533 7.697 -1.674 1.00 0.00 N ATOM 827 CA SER A 55 11.722 6.831 -1.409 1.00 0.00 C ATOM 828 C SER A 55 11.667 6.151 -0.029 1.00 0.00 C ATOM 829 O SER A 55 11.691 4.941 0.069 1.00 0.00 O ATOM 830 CB SER A 55 12.986 7.687 -1.488 1.00 0.00 C ATOM 831 OG SER A 55 13.868 7.133 -2.456 1.00 0.00 O ATOM 0 H SER A 55 10.754 8.605 -2.082 1.00 0.00 H new ATOM 0 HA SER A 55 11.727 6.043 -2.162 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.729 8.712 -1.757 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.474 7.726 -0.514 1.00 0.00 H new ATOM 0 HG SER A 55 14.679 7.680 -2.511 1.00 0.00 H new ATOM 837 N SER A 56 11.652 6.907 1.037 1.00 0.00 N ATOM 838 CA SER A 56 11.665 6.279 2.396 1.00 0.00 C ATOM 839 C SER A 56 10.250 6.039 2.930 1.00 0.00 C ATOM 840 O SER A 56 10.065 5.747 4.098 1.00 0.00 O ATOM 841 CB SER A 56 12.413 7.199 3.361 1.00 0.00 C ATOM 842 OG SER A 56 12.631 8.457 2.737 1.00 0.00 O ATOM 0 H SER A 56 11.631 7.927 1.029 1.00 0.00 H new ATOM 0 HA SER A 56 12.161 5.312 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.837 7.330 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.365 6.751 3.644 1.00 0.00 H new ATOM 0 HG SER A 56 11.788 8.956 2.703 1.00 0.00 H new ATOM 848 N THR A 57 9.248 6.144 2.115 1.00 0.00 N ATOM 849 CA THR A 57 7.876 5.909 2.645 1.00 0.00 C ATOM 850 C THR A 57 6.887 5.839 1.492 1.00 0.00 C ATOM 851 O THR A 57 7.266 5.656 0.358 1.00 0.00 O ATOM 852 CB THR A 57 7.509 7.065 3.584 1.00 0.00 C ATOM 853 OG1 THR A 57 6.391 6.709 4.380 1.00 0.00 O ATOM 854 CG2 THR A 57 7.174 8.306 2.761 1.00 0.00 C ATOM 0 H THR A 57 9.310 6.377 1.124 1.00 0.00 H new ATOM 0 HA THR A 57 7.842 4.967 3.192 1.00 0.00 H new ATOM 0 HB THR A 57 8.357 7.276 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.112 5.795 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.913 9.127 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.038 8.588 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.331 8.091 2.105 1.00 0.00 H new ATOM 862 N THR A 58 5.624 5.995 1.774 1.00 0.00 N ATOM 863 CA THR A 58 4.611 5.955 0.691 1.00 0.00 C ATOM 864 C THR A 58 3.211 6.013 1.288 1.00 0.00 C ATOM 865 O THR A 58 2.993 5.670 2.430 1.00 0.00 O ATOM 866 CB THR A 58 4.739 4.660 -0.120 1.00 0.00 C ATOM 867 OG1 THR A 58 3.936 4.763 -1.283 1.00 0.00 O ATOM 868 CG2 THR A 58 4.254 3.475 0.716 1.00 0.00 C ATOM 0 H THR A 58 5.252 6.149 2.711 1.00 0.00 H new ATOM 0 HA THR A 58 4.779 6.812 0.039 1.00 0.00 H new ATOM 0 HB THR A 58 5.783 4.506 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.133 4.015 -1.884 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.347 2.557 0.135 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.859 3.395 1.619 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.210 3.626 0.990 1.00 0.00 H new ATOM 876 N SER A 59 2.260 6.421 0.507 1.00 0.00 N ATOM 877 CA SER A 59 0.858 6.481 0.989 1.00 0.00 C ATOM 878 C SER A 59 -0.041 6.453 -0.229 1.00 0.00 C ATOM 879 O SER A 59 0.295 6.986 -1.267 1.00 0.00 O ATOM 880 CB SER A 59 0.626 7.763 1.790 1.00 0.00 C ATOM 881 OG SER A 59 1.212 8.860 1.101 1.00 0.00 O ATOM 0 H SER A 59 2.395 6.720 -0.459 1.00 0.00 H new ATOM 0 HA SER A 59 0.642 5.637 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.442 7.933 1.925 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.062 7.668 2.784 1.00 0.00 H new ATOM 0 HG SER A 59 1.064 9.684 1.611 1.00 0.00 H new ATOM 887 N ILE A 60 -1.162 5.811 -0.142 1.00 0.00 N ATOM 888 CA ILE A 60 -2.018 5.743 -1.343 1.00 0.00 C ATOM 889 C ILE A 60 -3.456 6.127 -1.005 1.00 0.00 C ATOM 890 O ILE A 60 -3.956 5.893 0.075 1.00 0.00 O ATOM 891 CB ILE A 60 -1.895 4.342 -1.949 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.773 3.340 -1.196 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.433 3.890 -1.833 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.521 1.933 -1.748 1.00 0.00 C ATOM 0 H ILE A 60 -1.517 5.340 0.690 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.688 6.465 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.218 4.379 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.548 3.371 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.825 3.604 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.325 2.893 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.207 4.587 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.141 3.869 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.145 1.216 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.768 1.909 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.471 1.672 -1.613 1.00 0.00 H new ATOM 906 N PHE A 61 -4.070 6.802 -1.926 1.00 0.00 N ATOM 907 CA PHE A 61 -5.442 7.344 -1.736 1.00 0.00 C ATOM 908 C PHE A 61 -6.558 6.397 -2.178 1.00 0.00 C ATOM 909 O PHE A 61 -6.393 5.571 -3.052 1.00 0.00 O ATOM 910 CB PHE A 61 -5.517 8.578 -2.606 1.00 0.00 C ATOM 911 CG PHE A 61 -5.170 9.776 -1.800 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.851 9.969 -1.408 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.155 10.695 -1.460 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.504 11.090 -0.670 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.822 11.822 -0.717 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.489 12.028 -0.317 1.00 0.00 C ATOM 0 H PHE A 61 -3.664 7.010 -2.838 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.595 7.524 -0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.833 8.483 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.520 8.683 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.096 9.246 -1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.176 10.534 -1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.479 11.242 -0.367 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.585 12.538 -0.448 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.224 12.903 0.258 1.00 0.00 H new ATOM 926 N PHE A 62 -7.722 6.586 -1.594 1.00 0.00 N ATOM 927 CA PHE A 62 -8.929 5.787 -1.962 1.00 0.00 C ATOM 928 C PHE A 62 -10.151 6.720 -1.985 1.00 0.00 C ATOM 929 O PHE A 62 -11.185 6.361 -1.459 1.00 0.00 O ATOM 930 CB PHE A 62 -9.251 4.725 -0.906 1.00 0.00 C ATOM 931 CG PHE A 62 -8.124 3.751 -0.679 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.851 4.198 -0.313 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.376 2.380 -0.805 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.830 3.271 -0.074 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.356 1.457 -0.571 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.084 1.900 -0.204 1.00 0.00 C ATOM 0 H PHE A 62 -7.884 7.277 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.723 5.318 -2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.490 5.219 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.141 4.175 -1.213 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.656 5.256 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.361 2.036 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.846 3.613 0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.551 0.400 -0.674 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.296 1.185 -0.020 1.00 0.00 H new ATOM 946 N PRO A 63 -10.019 7.880 -2.579 1.00 0.00 N ATOM 947 CA PRO A 63 -11.130 8.847 -2.659 1.00 0.00 C ATOM 948 C PRO A 63 -12.272 8.248 -3.474 1.00 0.00 C ATOM 949 O PRO A 63 -13.389 8.727 -3.463 1.00 0.00 O ATOM 950 CB PRO A 63 -10.497 10.077 -3.317 1.00 0.00 C ATOM 951 CG PRO A 63 -9.236 9.562 -4.035 1.00 0.00 C ATOM 952 CD PRO A 63 -8.787 8.328 -3.238 1.00 0.00 C ATOM 0 HA PRO A 63 -11.572 9.106 -1.697 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.186 10.543 -4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.243 10.832 -2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.452 9.303 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.456 10.323 -4.053 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.377 7.557 -3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.012 8.578 -2.513 1.00 0.00 H new ATOM 960 N SER A 64 -11.996 7.176 -4.148 1.00 0.00 N ATOM 961 CA SER A 64 -13.047 6.488 -4.939 1.00 0.00 C ATOM 962 C SER A 64 -13.167 5.047 -4.429 1.00 0.00 C ATOM 963 O SER A 64 -13.180 4.109 -5.202 1.00 0.00 O ATOM 964 CB SER A 64 -12.654 6.475 -6.418 1.00 0.00 C ATOM 965 OG SER A 64 -13.063 7.695 -7.022 1.00 0.00 O ATOM 0 H SER A 64 -11.075 6.739 -4.186 1.00 0.00 H new ATOM 0 HA SER A 64 -13.999 7.008 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.576 6.349 -6.519 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.122 5.630 -6.923 1.00 0.00 H new ATOM 0 HG SER A 64 -12.812 7.691 -7.969 1.00 0.00 H new ATOM 971 N ALA A 65 -13.242 4.855 -3.131 1.00 0.00 N ATOM 972 CA ALA A 65 -13.345 3.468 -2.598 1.00 0.00 C ATOM 973 C ALA A 65 -14.785 2.982 -2.691 1.00 0.00 C ATOM 974 O ALA A 65 -15.720 3.726 -2.452 1.00 0.00 O ATOM 975 CB ALA A 65 -12.904 3.428 -1.139 1.00 0.00 C ATOM 0 H ALA A 65 -13.236 5.594 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.697 2.822 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.984 2.408 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.869 3.763 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.542 4.085 -0.548 1.00 0.00 H new ATOM 981 N LYS A 66 -14.954 1.731 -3.024 1.00 0.00 N ATOM 982 CA LYS A 66 -16.319 1.145 -3.142 1.00 0.00 C ATOM 983 C LYS A 66 -16.300 -0.299 -2.634 1.00 0.00 C ATOM 984 O LYS A 66 -15.270 -0.822 -2.258 1.00 0.00 O ATOM 985 CB LYS A 66 -16.755 1.158 -4.610 1.00 0.00 C ATOM 986 CG LYS A 66 -17.178 2.573 -5.012 1.00 0.00 C ATOM 987 CD LYS A 66 -16.154 3.154 -5.990 1.00 0.00 C ATOM 988 CE LYS A 66 -16.857 3.556 -7.288 1.00 0.00 C ATOM 989 NZ LYS A 66 -16.656 2.492 -8.312 1.00 0.00 N ATOM 0 H LYS A 66 -14.193 1.082 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.018 1.733 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.937 0.819 -5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.583 0.465 -4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.165 2.552 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.253 3.207 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.663 4.020 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.376 2.419 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.921 3.705 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.460 4.504 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.134 2.765 -9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.639 2.371 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.055 1.596 -7.965 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.434 -0.946 -2.620 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.484 -2.355 -2.136 1.00 0.00 C ATOM 1005 C ARG A 67 -16.374 -3.169 -2.807 1.00 0.00 C ATOM 1006 O ARG A 67 -15.728 -3.986 -2.183 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.844 -2.965 -2.483 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.155 -2.717 -3.961 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.669 -2.739 -4.175 1.00 0.00 C ATOM 1010 NE ARG A 67 -20.964 -2.979 -5.616 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.814 -2.214 -6.245 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.927 -1.858 -5.662 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -21.553 -1.806 -7.457 1.00 0.00 N ATOM 0 H ARG A 67 -18.328 -0.559 -2.923 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.342 -2.371 -1.055 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.837 -4.035 -2.277 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.621 -2.525 -1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -18.747 -1.756 -4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.679 -3.480 -4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.122 -3.521 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.106 -1.793 -3.856 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.501 -3.742 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -23.132 -2.178 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -23.591 -1.260 -6.153 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.684 -2.085 -7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.218 -1.208 -7.948 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.154 -2.956 -4.075 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.096 -3.718 -4.789 1.00 0.00 C ATOM 1029 C ALA A 68 -13.738 -3.477 -4.123 1.00 0.00 C ATOM 1030 O ALA A 68 -12.932 -4.377 -3.994 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.035 -3.257 -6.246 1.00 0.00 C ATOM 0 H ALA A 68 -16.664 -2.284 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.331 -4.782 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.260 -3.814 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.998 -3.435 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -14.804 -2.192 -6.281 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.475 -2.268 -3.705 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.166 -1.971 -3.055 1.00 0.00 C ATOM 1039 C ASP A 69 -11.854 -3.042 -2.008 1.00 0.00 C ATOM 1040 O ASP A 69 -10.712 -3.272 -1.663 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.233 -0.601 -2.377 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.343 0.388 -3.133 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -11.199 0.227 -4.333 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -10.821 1.289 -2.497 1.00 0.00 O ATOM 0 H ASP A 69 -14.110 -1.474 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.381 -1.967 -3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.262 -0.242 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.907 -0.681 -1.340 1.00 0.00 H new ATOM 1049 N SER A 70 -12.859 -3.697 -1.497 1.00 0.00 N ATOM 1050 CA SER A 70 -12.620 -4.750 -0.470 1.00 0.00 C ATOM 1051 C SER A 70 -11.561 -5.733 -0.976 1.00 0.00 C ATOM 1052 O SER A 70 -11.849 -6.627 -1.746 1.00 0.00 O ATOM 1053 CB SER A 70 -13.924 -5.501 -0.199 1.00 0.00 C ATOM 1054 OG SER A 70 -14.348 -6.150 -1.391 1.00 0.00 O ATOM 0 H SER A 70 -13.837 -3.549 -1.746 1.00 0.00 H new ATOM 0 HA SER A 70 -12.269 -4.284 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.777 -6.233 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.692 -4.808 0.144 1.00 0.00 H new ATOM 0 HG SER A 70 -13.588 -6.617 -1.797 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.337 -5.575 -0.548 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.263 -6.502 -1.004 1.00 0.00 C ATOM 1062 C GLY A 71 -8.088 -6.457 -0.022 1.00 0.00 C ATOM 1063 O GLY A 71 -8.127 -5.769 0.984 1.00 0.00 O ATOM 0 H GLY A 71 -10.035 -4.845 0.097 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.652 -7.518 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.926 -6.220 -2.002 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.037 -7.177 -0.310 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.861 -7.170 0.599 1.00 0.00 C ATOM 1069 C ASN A 72 -4.830 -6.190 0.053 1.00 0.00 C ATOM 1070 O ASN A 72 -3.918 -6.567 -0.648 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.250 -8.572 0.661 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.175 -9.500 1.451 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.185 -9.071 1.973 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -5.870 -10.764 1.562 1.00 0.00 N ATOM 0 H ASN A 72 -6.945 -7.769 -1.136 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.168 -6.871 1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.103 -8.960 -0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.269 -8.532 1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.479 -11.391 2.087 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.022 -11.124 1.124 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.965 -4.935 0.367 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.990 -3.937 -0.142 1.00 0.00 C ATOM 1083 C TYR A 73 -2.609 -4.261 0.417 1.00 0.00 C ATOM 1084 O TYR A 73 -2.211 -3.764 1.448 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.427 -2.539 0.292 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.602 -2.119 -0.556 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.894 -2.541 -0.223 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.395 -1.327 -1.687 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.980 -2.165 -1.023 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.479 -0.953 -2.491 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.773 -1.372 -2.158 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.843 -1.005 -2.949 1.00 0.00 O ATOM 0 H TYR A 73 -5.709 -4.557 0.954 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.950 -3.971 -1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.702 -2.539 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.605 -1.832 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.053 -3.156 0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.397 -1.002 -1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.978 -2.487 -0.764 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.317 -0.342 -3.367 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.525 -0.455 -3.695 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.871 -5.090 -0.265 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.514 -5.449 0.221 1.00 0.00 C ATOM 1104 C LYS A 74 0.513 -4.745 -0.651 1.00 0.00 C ATOM 1105 O LYS A 74 0.459 -4.813 -1.860 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.319 -6.964 0.128 1.00 0.00 C ATOM 1107 CG LYS A 74 0.763 -7.401 1.118 1.00 0.00 C ATOM 1108 CD LYS A 74 1.506 -8.616 0.559 1.00 0.00 C ATOM 1109 CE LYS A 74 1.828 -9.586 1.697 1.00 0.00 C ATOM 1110 NZ LYS A 74 0.791 -10.655 1.749 1.00 0.00 N ATOM 0 H LYS A 74 -2.151 -5.534 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.395 -5.141 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.256 -7.476 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.033 -7.243 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.462 -6.583 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.313 -7.648 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.896 -9.113 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.425 -8.298 0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.813 -10.027 1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.862 -9.051 2.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.010 -11.314 2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.142 -10.226 1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.780 -11.172 0.847 1.00 0.00 H new ATOM 1124 N LEU A 75 1.441 -4.059 -0.056 1.00 0.00 N ATOM 1125 CA LEU A 75 2.457 -3.342 -0.869 1.00 0.00 C ATOM 1126 C LEU A 75 3.847 -3.898 -0.548 1.00 0.00 C ATOM 1127 O LEU A 75 4.117 -4.325 0.555 1.00 0.00 O ATOM 1128 CB LEU A 75 2.361 -1.838 -0.556 1.00 0.00 C ATOM 1129 CG LEU A 75 3.738 -1.176 -0.588 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.605 0.241 -1.136 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.308 -1.121 0.830 1.00 0.00 C ATOM 0 H LEU A 75 1.541 -3.963 0.954 1.00 0.00 H new ATOM 0 HA LEU A 75 2.278 -3.488 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.706 -1.355 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.910 -1.697 0.426 1.00 0.00 H new ATOM 0 HG LEU A 75 4.406 -1.753 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.586 0.715 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.195 0.204 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.938 0.818 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.290 -0.649 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.641 -0.542 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.400 -2.133 1.225 1.00 0.00 H new ATOM 1143 N LYS A 76 4.729 -3.899 -1.509 1.00 0.00 N ATOM 1144 CA LYS A 76 6.097 -4.433 -1.260 1.00 0.00 C ATOM 1145 C LYS A 76 7.138 -3.448 -1.791 1.00 0.00 C ATOM 1146 O LYS A 76 7.052 -2.984 -2.911 1.00 0.00 O ATOM 1147 CB LYS A 76 6.259 -5.775 -1.977 1.00 0.00 C ATOM 1148 CG LYS A 76 6.179 -6.913 -0.958 1.00 0.00 C ATOM 1149 CD LYS A 76 6.356 -8.253 -1.674 1.00 0.00 C ATOM 1150 CE LYS A 76 7.844 -8.605 -1.740 1.00 0.00 C ATOM 1151 NZ LYS A 76 8.245 -8.802 -3.161 1.00 0.00 N ATOM 0 H LYS A 76 4.562 -3.554 -2.454 1.00 0.00 H new ATOM 0 HA LYS A 76 6.240 -4.570 -0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.480 -5.893 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.215 -5.807 -2.499 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.951 -6.790 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.218 -6.888 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.810 -9.034 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.940 -8.198 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.437 -7.809 -1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.040 -9.511 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.256 -9.041 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.687 -9.576 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.072 -7.927 -3.695 1.00 0.00 H new ATOM 1165 N VAL A 77 8.126 -3.130 -1.002 1.00 0.00 N ATOM 1166 CA VAL A 77 9.172 -2.182 -1.471 1.00 0.00 C ATOM 1167 C VAL A 77 10.511 -2.920 -1.550 1.00 0.00 C ATOM 1168 O VAL A 77 10.679 -3.966 -0.962 1.00 0.00 O ATOM 1169 CB VAL A 77 9.256 -0.992 -0.503 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.848 -0.633 -0.025 1.00 0.00 C ATOM 1171 CG2 VAL A 77 10.114 -1.347 0.714 1.00 0.00 C ATOM 0 H VAL A 77 8.254 -3.485 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 77 8.922 -1.800 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 77 9.709 -0.149 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.901 0.211 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.230 -0.365 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.408 -1.489 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.161 -0.491 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.672 -2.196 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.121 -1.607 0.386 1.00 0.00 H new ATOM 1181 N LYS A 78 11.461 -2.409 -2.284 1.00 0.00 N ATOM 1182 CA LYS A 78 12.765 -3.127 -2.386 1.00 0.00 C ATOM 1183 C LYS A 78 13.886 -2.156 -2.757 1.00 0.00 C ATOM 1184 O LYS A 78 13.667 -0.977 -2.954 1.00 0.00 O ATOM 1185 CB LYS A 78 12.661 -4.205 -3.465 1.00 0.00 C ATOM 1186 CG LYS A 78 12.027 -3.610 -4.723 1.00 0.00 C ATOM 1187 CD LYS A 78 10.629 -4.200 -4.918 1.00 0.00 C ATOM 1188 CE LYS A 78 10.278 -4.201 -6.406 1.00 0.00 C ATOM 1189 NZ LYS A 78 8.838 -4.545 -6.577 1.00 0.00 N ATOM 0 H LYS A 78 11.394 -1.538 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 78 12.994 -3.578 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.650 -4.600 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.061 -5.040 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.966 -2.525 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.648 -3.824 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.594 -5.216 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.896 -3.617 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.483 -3.222 -6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.900 -4.921 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.599 -4.546 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.657 -5.488 -6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.252 -3.842 -6.084 1.00 0.00 H new ATOM 1203 N ASN A 79 15.091 -2.652 -2.858 1.00 0.00 N ATOM 1204 CA ASN A 79 16.236 -1.775 -3.223 1.00 0.00 C ATOM 1205 C ASN A 79 17.322 -2.620 -3.906 1.00 0.00 C ATOM 1206 O ASN A 79 17.258 -3.834 -3.916 1.00 0.00 O ATOM 1207 CB ASN A 79 16.779 -1.084 -1.954 1.00 0.00 C ATOM 1208 CG ASN A 79 18.056 -1.772 -1.450 1.00 0.00 C ATOM 1209 OD1 ASN A 79 17.992 -2.714 -0.688 1.00 0.00 O ATOM 1210 ND2 ASN A 79 19.218 -1.339 -1.857 1.00 0.00 N ATOM 0 H ASN A 79 15.330 -3.631 -2.702 1.00 0.00 H new ATOM 0 HA ASN A 79 15.913 -1.001 -3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.988 -0.036 -2.169 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.019 -1.104 -1.173 1.00 0.00 H new ATOM 0 HD21 ASN A 79 20.073 -1.793 -1.534 1.00 0.00 H new ATOM 0 HD22 ASN A 79 19.271 -0.547 -2.498 1.00 0.00 H new ATOM 1217 N GLU A 80 18.307 -1.974 -4.477 1.00 0.00 N ATOM 1218 CA GLU A 80 19.411 -2.701 -5.179 1.00 0.00 C ATOM 1219 C GLU A 80 19.702 -4.047 -4.507 1.00 0.00 C ATOM 1220 O GLU A 80 20.045 -5.012 -5.161 1.00 0.00 O ATOM 1221 CB GLU A 80 20.676 -1.841 -5.146 1.00 0.00 C ATOM 1222 CG GLU A 80 21.151 -1.575 -6.576 1.00 0.00 C ATOM 1223 CD GLU A 80 21.723 -2.862 -7.173 1.00 0.00 C ATOM 1224 OE1 GLU A 80 21.546 -3.904 -6.563 1.00 0.00 O ATOM 1225 OE2 GLU A 80 22.327 -2.785 -8.229 1.00 0.00 O ATOM 0 H GLU A 80 18.395 -0.958 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 80 19.102 -2.888 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.474 -0.898 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.458 -2.347 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.321 -1.217 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.909 -0.792 -6.579 1.00 0.00 H new ATOM 1232 N LEU A 81 19.576 -4.126 -3.212 1.00 0.00 N ATOM 1233 CA LEU A 81 19.856 -5.416 -2.520 1.00 0.00 C ATOM 1234 C LEU A 81 19.072 -5.481 -1.209 1.00 0.00 C ATOM 1235 O LEU A 81 19.589 -5.892 -0.189 1.00 0.00 O ATOM 1236 CB LEU A 81 21.353 -5.515 -2.222 1.00 0.00 C ATOM 1237 CG LEU A 81 21.947 -6.709 -2.971 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.440 -6.256 -4.347 1.00 0.00 C ATOM 1239 CD2 LEU A 81 23.122 -7.277 -2.172 1.00 0.00 C ATOM 0 H LEU A 81 19.293 -3.357 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 81 19.553 -6.243 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.856 -4.596 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.514 -5.629 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 81 21.183 -7.477 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.863 -7.107 -4.880 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.605 -5.850 -4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.204 -5.488 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.546 -8.128 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.885 -6.508 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.773 -7.600 -1.191 1.00 0.00 H new ATOM 1251 N GLY A 82 17.830 -5.082 -1.223 1.00 0.00 N ATOM 1252 CA GLY A 82 17.024 -5.128 0.032 1.00 0.00 C ATOM 1253 C GLY A 82 15.551 -5.352 -0.313 1.00 0.00 C ATOM 1254 O GLY A 82 15.153 -5.253 -1.456 1.00 0.00 O ATOM 0 H GLY A 82 17.339 -4.728 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.383 -5.930 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.141 -4.196 0.586 1.00 0.00 H new ATOM 1258 N GLU A 83 14.735 -5.658 0.663 1.00 0.00 N ATOM 1259 CA GLU A 83 13.294 -5.888 0.365 1.00 0.00 C ATOM 1260 C GLU A 83 12.471 -5.915 1.659 1.00 0.00 C ATOM 1261 O GLU A 83 12.878 -6.463 2.664 1.00 0.00 O ATOM 1262 CB GLU A 83 13.135 -7.226 -0.360 1.00 0.00 C ATOM 1263 CG GLU A 83 13.780 -8.338 0.469 1.00 0.00 C ATOM 1264 CD GLU A 83 13.076 -9.665 0.180 1.00 0.00 C ATOM 1265 OE1 GLU A 83 11.877 -9.640 -0.045 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.747 -10.684 0.188 1.00 0.00 O ATOM 0 H GLU A 83 15.002 -5.757 1.642 1.00 0.00 H new ATOM 0 HA GLU A 83 12.933 -5.074 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.078 -7.442 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.601 -7.175 -1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.840 -8.417 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.711 -8.101 1.531 1.00 0.00 H new ATOM 1273 N ASP A 84 11.303 -5.334 1.619 1.00 0.00 N ATOM 1274 CA ASP A 84 10.409 -5.315 2.808 1.00 0.00 C ATOM 1275 C ASP A 84 8.963 -5.288 2.306 1.00 0.00 C ATOM 1276 O ASP A 84 8.718 -5.089 1.132 1.00 0.00 O ATOM 1277 CB ASP A 84 10.691 -4.069 3.650 1.00 0.00 C ATOM 1278 CG ASP A 84 11.115 -4.493 5.057 1.00 0.00 C ATOM 1279 OD1 ASP A 84 10.302 -5.085 5.747 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.247 -4.218 5.422 1.00 0.00 O ATOM 0 H ASP A 84 10.925 -4.864 0.796 1.00 0.00 H new ATOM 0 HA ASP A 84 10.580 -6.195 3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.476 -3.473 3.186 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.801 -3.441 3.700 1.00 0.00 H new ATOM 1285 N GLU A 85 7.999 -5.497 3.160 1.00 0.00 N ATOM 1286 CA GLU A 85 6.594 -5.490 2.678 1.00 0.00 C ATOM 1287 C GLU A 85 5.624 -5.175 3.822 1.00 0.00 C ATOM 1288 O GLU A 85 5.968 -5.233 4.986 1.00 0.00 O ATOM 1289 CB GLU A 85 6.278 -6.867 2.087 1.00 0.00 C ATOM 1290 CG GLU A 85 5.889 -7.849 3.198 1.00 0.00 C ATOM 1291 CD GLU A 85 5.797 -9.262 2.621 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.820 -9.777 2.201 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.705 -9.806 2.609 1.00 0.00 O ATOM 0 H GLU A 85 8.123 -5.670 4.158 1.00 0.00 H new ATOM 0 HA GLU A 85 6.476 -4.716 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.465 -6.783 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.145 -7.245 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.628 -7.819 3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.933 -7.560 3.635 1.00 0.00 H new ATOM 1300 N ALA A 86 4.407 -4.851 3.482 1.00 0.00 N ATOM 1301 CA ALA A 86 3.382 -4.538 4.514 1.00 0.00 C ATOM 1302 C ALA A 86 2.016 -4.995 3.997 1.00 0.00 C ATOM 1303 O ALA A 86 1.634 -4.698 2.879 1.00 0.00 O ATOM 1304 CB ALA A 86 3.359 -3.031 4.772 1.00 0.00 C ATOM 0 H ALA A 86 4.076 -4.789 2.519 1.00 0.00 H new ATOM 0 HA ALA A 86 3.618 -5.053 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.608 -2.803 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.338 -2.707 5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.114 -2.507 3.848 1.00 0.00 H new ATOM 1310 N ILE A 87 1.284 -5.728 4.789 1.00 0.00 N ATOM 1311 CA ILE A 87 -0.047 -6.217 4.331 1.00 0.00 C ATOM 1312 C ILE A 87 -1.158 -5.317 4.878 1.00 0.00 C ATOM 1313 O ILE A 87 -1.289 -5.126 6.070 1.00 0.00 O ATOM 1314 CB ILE A 87 -0.255 -7.653 4.825 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.398 -8.308 4.039 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.590 -7.644 6.319 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.751 -7.790 4.539 1.00 0.00 C ATOM 0 H ILE A 87 1.549 -6.010 5.733 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.082 -6.194 3.242 1.00 0.00 H new ATOM 0 HB ILE A 87 0.661 -8.223 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.288 -8.092 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.352 -9.391 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.737 -8.667 6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.230 -7.188 6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.502 -7.071 6.484 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.553 -8.263 3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.864 -8.029 5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.799 -6.710 4.404 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.970 -4.779 4.009 1.00 0.00 N ATOM 1330 CA PHE A 88 -3.090 -3.908 4.467 1.00 0.00 C ATOM 1331 C PHE A 88 -4.409 -4.495 3.961 1.00 0.00 C ATOM 1332 O PHE A 88 -4.822 -4.251 2.843 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.923 -2.488 3.911 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.539 -1.972 4.222 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.236 -1.521 5.512 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.560 -1.941 3.222 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.046 -1.041 5.802 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.723 -1.461 3.512 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.026 -1.011 4.802 1.00 0.00 C ATOM 0 H PHE A 88 -1.906 -4.906 2.999 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.088 -3.862 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.086 -2.489 2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.673 -1.827 4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.992 -1.543 6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.794 -2.287 2.226 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.280 -0.693 6.797 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.478 -1.438 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.015 -0.641 5.026 1.00 0.00 H new ATOM 1349 N GLU A 89 -5.082 -5.260 4.773 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.375 -5.850 4.330 1.00 0.00 C ATOM 1351 C GLU A 89 -7.443 -4.770 4.427 1.00 0.00 C ATOM 1352 O GLU A 89 -7.907 -4.445 5.498 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.744 -7.025 5.239 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.878 -7.831 4.602 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.652 -9.322 4.861 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -7.241 -9.657 5.960 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.894 -10.103 3.956 1.00 0.00 O ATOM 0 H GLU A 89 -4.794 -5.502 5.721 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.295 -6.213 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.874 -7.663 5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.051 -6.658 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.837 -7.520 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.917 -7.639 3.530 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.820 -4.190 3.322 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.836 -3.105 3.373 1.00 0.00 C ATOM 1366 C VAL A 90 -10.215 -3.647 3.016 1.00 0.00 C ATOM 1367 O VAL A 90 -10.387 -4.355 2.045 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.448 -2.003 2.385 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.329 -0.774 2.615 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.980 -1.624 2.596 1.00 0.00 C ATOM 0 H VAL A 90 -7.471 -4.419 2.392 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.871 -2.701 4.385 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.589 -2.364 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.051 0.010 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.375 -1.043 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.190 -0.412 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.702 -0.839 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.840 -1.264 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.351 -2.499 2.430 1.00 0.00 H new ATOM 1380 N ILE A 91 -11.204 -3.305 3.793 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.578 -3.782 3.496 1.00 0.00 C ATOM 1382 C ILE A 91 -13.467 -2.580 3.188 1.00 0.00 C ATOM 1383 O ILE A 91 -13.125 -1.445 3.479 1.00 0.00 O ATOM 1384 CB ILE A 91 -13.148 -4.534 4.695 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.433 -5.879 4.844 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.640 -4.772 4.464 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.187 -5.702 5.714 1.00 0.00 C ATOM 0 H ILE A 91 -11.118 -2.715 4.621 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.545 -4.455 2.639 1.00 0.00 H new ATOM 0 HB ILE A 91 -13.002 -3.948 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -13.103 -6.611 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.153 -6.264 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -15.059 -5.309 5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -15.148 -3.814 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.778 -5.363 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.678 -6.660 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.515 -4.984 5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.479 -5.336 6.698 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.605 -2.819 2.599 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.515 -1.697 2.260 1.00 0.00 C ATOM 1401 C VAL A 92 -16.932 -2.016 2.737 1.00 0.00 C ATOM 1402 O VAL A 92 -17.441 -3.100 2.530 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.508 -1.497 0.748 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.158 -0.156 0.402 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.059 -1.507 0.259 1.00 0.00 C ATOM 0 H VAL A 92 -14.942 -3.746 2.338 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.177 -0.785 2.753 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.069 -2.297 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.151 -0.017 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.187 -0.146 0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.600 0.652 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.039 -1.365 -0.822 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.507 -0.701 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.598 -2.463 0.508 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.571 -1.076 3.376 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.956 -1.319 3.870 1.00 0.00 C ATOM 1417 C GLN A 93 -19.943 -0.477 3.059 1.00 0.00 C ATOM 1418 O GLN A 93 -20.958 -0.090 3.616 1.00 0.00 O ATOM 1419 CB GLN A 93 -19.048 -0.928 5.348 1.00 0.00 C ATOM 1420 CG GLN A 93 -18.251 -1.926 6.191 1.00 0.00 C ATOM 1421 CD GLN A 93 -17.780 -1.245 7.478 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -16.596 -1.094 7.701 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -18.665 -0.826 8.341 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.669 -0.235 1.895 1.00 0.00 O ATOM 0 H GLN A 93 -17.194 -0.150 3.578 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.200 -2.375 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.659 0.080 5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -20.090 -0.916 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -18.869 -2.791 6.430 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -17.394 -2.293 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -19.660 -0.953 8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -18.362 -0.372 9.203 1.00 0.00 H new TER 1433 GLN A 93