USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 684 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 61 SER OG : rot -125:sc= 1.42 USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 38:sc= 0.0485 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 16:sc= 0.167 USER MOD Single : A 12 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -168:sc= -0.0489 (180deg=-0.322) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 40:sc= 0.0517 USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= 0.343 (180deg=0.0298) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.34 K(o=-3.3,f=-3.9) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -135:sc= -3.04! (180deg=-4.12!) USER MOD Single : A 69 ASN : amide:sc= -2! C(o=-2!,f=-4!) USER MOD Single : A 71 GLN : amide:sc= -0.54 K(o=-0.54,f=-1.2) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot -117:sc= 1.09 USER MOD Single : A 75 ASN : amide:sc=-0.000287 X(o=-0.00029,f=0.24) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.0185 (180deg=-0.228) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.762 9.567 -13.125 1.00 0.00 N ATOM 2 CA GLY A 1 1.115 10.605 -12.344 1.00 0.00 C ATOM 3 C GLY A 1 0.828 10.166 -10.922 1.00 0.00 C ATOM 4 O GLY A 1 0.299 9.078 -10.696 1.00 0.00 O ATOM 0 H1 GLY A 1 1.937 9.916 -14.089 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.666 9.311 -12.680 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.147 8.729 -13.166 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.750 11.491 -12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.181 10.891 -12.828 1.00 0.00 H new ATOM 8 N SER A 2 1.179 11.014 -9.960 1.00 0.00 N ATOM 9 CA SER A 2 0.961 10.706 -8.552 1.00 0.00 C ATOM 10 C SER A 2 -0.418 11.177 -8.100 1.00 0.00 C ATOM 11 O SER A 2 -0.574 11.712 -7.002 1.00 0.00 O ATOM 12 CB SER A 2 2.044 11.359 -7.691 1.00 0.00 C ATOM 13 OG SER A 2 2.078 12.762 -7.891 1.00 0.00 O ATOM 0 H SER A 2 1.616 11.920 -10.131 1.00 0.00 H new ATOM 0 HA SER A 2 1.014 9.624 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.856 11.143 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.016 10.930 -7.936 1.00 0.00 H new ATOM 0 HG SER A 2 2.777 13.156 -7.328 1.00 0.00 H new ATOM 19 N SER A 3 -1.415 10.975 -8.955 1.00 0.00 N ATOM 20 CA SER A 3 -2.781 11.382 -8.646 1.00 0.00 C ATOM 21 C SER A 3 -3.173 10.945 -7.238 1.00 0.00 C ATOM 22 O SER A 3 -2.998 9.786 -6.864 1.00 0.00 O ATOM 23 CB SER A 3 -3.755 10.790 -9.666 1.00 0.00 C ATOM 24 OG SER A 3 -3.578 9.389 -9.786 1.00 0.00 O ATOM 0 H SER A 3 -1.303 10.532 -9.867 1.00 0.00 H new ATOM 0 HA SER A 3 -2.830 12.470 -8.697 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.780 11.006 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.603 11.263 -10.636 1.00 0.00 H new ATOM 0 HG SER A 3 -3.379 9.008 -8.905 1.00 0.00 H new ATOM 30 N GLY A 4 -3.705 11.884 -6.460 1.00 0.00 N ATOM 31 CA GLY A 4 -4.114 11.578 -5.102 1.00 0.00 C ATOM 32 C GLY A 4 -2.938 11.477 -4.151 1.00 0.00 C ATOM 33 O GLY A 4 -2.230 10.471 -4.133 1.00 0.00 O ATOM 0 H GLY A 4 -3.860 12.851 -6.747 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.797 12.350 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.665 10.637 -5.095 1.00 0.00 H new ATOM 37 N SER A 5 -2.727 12.524 -3.360 1.00 0.00 N ATOM 38 CA SER A 5 -1.625 12.552 -2.406 1.00 0.00 C ATOM 39 C SER A 5 -2.025 11.884 -1.094 1.00 0.00 C ATOM 40 O SER A 5 -1.815 12.437 -0.014 1.00 0.00 O ATOM 41 CB SER A 5 -1.186 13.994 -2.144 1.00 0.00 C ATOM 42 OG SER A 5 -0.582 14.560 -3.294 1.00 0.00 O ATOM 0 H SER A 5 -3.305 13.364 -3.361 1.00 0.00 H new ATOM 0 HA SER A 5 -0.791 11.998 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.048 14.592 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.483 14.018 -1.311 1.00 0.00 H new ATOM 0 HG SER A 5 -0.312 15.482 -3.101 1.00 0.00 H new ATOM 48 N SER A 6 -2.604 10.692 -1.196 1.00 0.00 N ATOM 49 CA SER A 6 -3.038 9.949 -0.019 1.00 0.00 C ATOM 50 C SER A 6 -2.185 8.700 0.180 1.00 0.00 C ATOM 51 O SER A 6 -1.980 7.920 -0.750 1.00 0.00 O ATOM 52 CB SER A 6 -4.511 9.559 -0.150 1.00 0.00 C ATOM 53 OG SER A 6 -4.697 8.611 -1.187 1.00 0.00 O ATOM 0 H SER A 6 -2.783 10.220 -2.082 1.00 0.00 H new ATOM 0 HA SER A 6 -2.917 10.593 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.866 9.145 0.794 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.109 10.447 -0.353 1.00 0.00 H new ATOM 0 HG SER A 6 -3.832 8.223 -1.435 1.00 0.00 H new ATOM 59 N GLY A 7 -1.690 8.516 1.400 1.00 0.00 N ATOM 60 CA GLY A 7 -0.864 7.361 1.700 1.00 0.00 C ATOM 61 C GLY A 7 -1.409 6.543 2.854 1.00 0.00 C ATOM 62 O GLY A 7 -2.338 6.969 3.541 1.00 0.00 O ATOM 0 H GLY A 7 -1.846 9.147 2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.791 6.730 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.146 7.693 1.939 1.00 0.00 H new ATOM 66 N ILE A 8 -0.833 5.365 3.067 1.00 0.00 N ATOM 67 CA ILE A 8 -1.267 4.486 4.145 1.00 0.00 C ATOM 68 C ILE A 8 -0.074 3.931 4.916 1.00 0.00 C ATOM 69 O ILE A 8 0.990 3.691 4.346 1.00 0.00 O ATOM 70 CB ILE A 8 -2.110 3.313 3.610 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.275 2.448 2.664 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.353 3.832 2.905 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.738 1.009 2.594 1.00 0.00 C ATOM 0 H ILE A 8 -0.064 4.997 2.507 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.881 5.088 4.815 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.426 2.697 4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.308 2.881 1.664 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.234 2.471 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.938 2.991 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.954 4.410 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.059 4.467 2.070 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.101 0.455 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.678 0.559 3.585 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.769 0.975 2.242 1.00 0.00 H new ATOM 85 N PHE A 9 -0.260 3.728 6.216 1.00 0.00 N ATOM 86 CA PHE A 9 0.800 3.199 7.066 1.00 0.00 C ATOM 87 C PHE A 9 0.522 1.748 7.445 1.00 0.00 C ATOM 88 O PHE A 9 -0.606 1.390 7.788 1.00 0.00 O ATOM 89 CB PHE A 9 0.941 4.050 8.330 1.00 0.00 C ATOM 90 CG PHE A 9 1.652 3.346 9.451 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.035 3.286 9.482 1.00 0.00 C ATOM 92 CD2 PHE A 9 0.935 2.743 10.473 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.692 2.639 10.512 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.587 2.096 11.505 1.00 0.00 C ATOM 95 CZ PHE A 9 2.967 2.042 11.524 1.00 0.00 C ATOM 0 H PHE A 9 -1.135 3.922 6.704 1.00 0.00 H new ATOM 0 HA PHE A 9 1.734 3.236 6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.482 4.964 8.085 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.051 4.348 8.670 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.607 3.750 8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.144 2.779 10.462 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.771 2.601 10.525 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.018 1.632 12.297 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.478 1.534 12.329 1.00 0.00 H new ATOM 105 N ILE A 10 1.556 0.917 7.380 1.00 0.00 N ATOM 106 CA ILE A 10 1.423 -0.495 7.717 1.00 0.00 C ATOM 107 C ILE A 10 2.490 -0.925 8.719 1.00 0.00 C ATOM 108 O ILE A 10 3.677 -0.661 8.529 1.00 0.00 O ATOM 109 CB ILE A 10 1.525 -1.385 6.463 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.659 -0.817 5.337 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.109 -2.811 6.791 1.00 0.00 C ATOM 112 CD1 ILE A 10 1.149 -1.185 3.954 1.00 0.00 C ATOM 0 H ILE A 10 2.495 1.197 7.097 1.00 0.00 H new ATOM 0 HA ILE A 10 0.437 -0.621 8.164 1.00 0.00 H new ATOM 0 HB ILE A 10 2.562 -1.398 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.363 -1.176 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.628 0.269 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.186 -3.428 5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.763 -3.212 7.565 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.079 -2.817 7.148 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.488 -0.749 3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.160 -0.802 3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.153 -2.270 3.846 1.00 0.00 H new ATOM 124 N GLY A 11 2.058 -1.590 9.786 1.00 0.00 N ATOM 125 CA GLY A 11 2.989 -2.047 10.801 1.00 0.00 C ATOM 126 C GLY A 11 2.842 -3.526 11.098 1.00 0.00 C ATOM 127 O GLY A 11 1.791 -4.115 10.849 1.00 0.00 O ATOM 0 H GLY A 11 1.081 -1.820 9.966 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.008 -1.845 10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.831 -1.478 11.717 1.00 0.00 H new ATOM 131 N ASN A 12 3.900 -4.129 11.631 1.00 0.00 N ATOM 132 CA ASN A 12 3.885 -5.550 11.961 1.00 0.00 C ATOM 133 C ASN A 12 3.939 -6.402 10.696 1.00 0.00 C ATOM 134 O ASN A 12 3.192 -7.371 10.555 1.00 0.00 O ATOM 135 CB ASN A 12 2.631 -5.894 12.768 1.00 0.00 C ATOM 136 CG ASN A 12 2.860 -7.046 13.728 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.965 -6.848 14.938 1.00 0.00 O ATOM 138 ND2 ASN A 12 2.939 -8.257 13.190 1.00 0.00 N ATOM 0 H ASN A 12 4.778 -3.656 11.844 1.00 0.00 H new ATOM 0 HA ASN A 12 4.767 -5.768 12.563 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.310 -5.016 13.328 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.821 -6.149 12.085 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.093 -9.071 13.786 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.846 -8.374 12.181 1.00 0.00 H new ATOM 145 N LEU A 13 4.829 -6.035 9.781 1.00 0.00 N ATOM 146 CA LEU A 13 4.983 -6.766 8.527 1.00 0.00 C ATOM 147 C LEU A 13 6.097 -7.803 8.634 1.00 0.00 C ATOM 148 O LEU A 13 7.220 -7.483 9.022 1.00 0.00 O ATOM 149 CB LEU A 13 5.280 -5.797 7.382 1.00 0.00 C ATOM 150 CG LEU A 13 4.065 -5.157 6.711 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.489 -3.978 5.850 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.313 -6.185 5.877 1.00 0.00 C ATOM 0 H LEU A 13 5.455 -5.236 9.883 1.00 0.00 H new ATOM 0 HA LEU A 13 4.047 -7.286 8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.920 -5.001 7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.851 -6.329 6.621 1.00 0.00 H new ATOM 0 HG LEU A 13 3.396 -4.790 7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.610 -3.536 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.982 -3.232 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.179 -4.320 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.451 -5.712 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.974 -6.582 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.975 -6.998 6.520 1.00 0.00 H new ATOM 164 N ASP A 14 5.778 -9.044 8.286 1.00 0.00 N ATOM 165 CA ASP A 14 6.752 -10.128 8.340 1.00 0.00 C ATOM 166 C ASP A 14 8.015 -9.762 7.566 1.00 0.00 C ATOM 167 O ASP A 14 7.964 -9.134 6.508 1.00 0.00 O ATOM 168 CB ASP A 14 6.148 -11.414 7.775 1.00 0.00 C ATOM 169 CG ASP A 14 6.722 -12.658 8.425 1.00 0.00 C ATOM 170 OD1 ASP A 14 6.662 -12.759 9.669 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.232 -13.529 7.691 1.00 0.00 O ATOM 0 H ASP A 14 4.852 -9.325 7.963 1.00 0.00 H new ATOM 0 HA ASP A 14 7.021 -10.290 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.068 -11.398 7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.326 -11.454 6.700 1.00 0.00 H new ATOM 176 N PRO A 15 9.176 -10.161 8.106 1.00 0.00 N ATOM 177 CA PRO A 15 10.475 -9.885 7.483 1.00 0.00 C ATOM 178 C PRO A 15 10.683 -10.683 6.200 1.00 0.00 C ATOM 179 O PRO A 15 11.474 -10.296 5.340 1.00 0.00 O ATOM 180 CB PRO A 15 11.480 -10.319 8.552 1.00 0.00 C ATOM 181 CG PRO A 15 10.755 -11.336 9.364 1.00 0.00 C ATOM 182 CD PRO A 15 9.312 -10.912 9.365 1.00 0.00 C ATOM 0 HA PRO A 15 10.572 -8.841 7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.379 -10.740 8.102 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.795 -9.475 9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.869 -12.332 8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.150 -11.379 10.379 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.641 -11.770 9.395 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.076 -10.292 10.230 1.00 0.00 H new ATOM 190 N GLU A 16 9.968 -11.797 6.079 1.00 0.00 N ATOM 191 CA GLU A 16 10.077 -12.649 4.900 1.00 0.00 C ATOM 192 C GLU A 16 9.498 -11.953 3.671 1.00 0.00 C ATOM 193 O GLU A 16 10.032 -12.073 2.568 1.00 0.00 O ATOM 194 CB GLU A 16 9.355 -13.977 5.135 1.00 0.00 C ATOM 195 CG GLU A 16 10.171 -14.981 5.931 1.00 0.00 C ATOM 196 CD GLU A 16 9.939 -14.867 7.426 1.00 0.00 C ATOM 197 OE1 GLU A 16 8.855 -15.277 7.890 1.00 0.00 O ATOM 198 OE2 GLU A 16 10.841 -14.368 8.130 1.00 0.00 O ATOM 0 H GLU A 16 9.308 -12.130 6.782 1.00 0.00 H new ATOM 0 HA GLU A 16 11.134 -12.845 4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.419 -13.784 5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.095 -14.415 4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.919 -15.990 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.230 -14.833 5.719 1.00 0.00 H new ATOM 205 N ILE A 17 8.403 -11.227 3.870 1.00 0.00 N ATOM 206 CA ILE A 17 7.752 -10.512 2.780 1.00 0.00 C ATOM 207 C ILE A 17 8.741 -9.616 2.042 1.00 0.00 C ATOM 208 O ILE A 17 9.820 -9.313 2.552 1.00 0.00 O ATOM 209 CB ILE A 17 6.580 -9.653 3.290 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.577 -10.521 4.052 1.00 0.00 C ATOM 211 CG2 ILE A 17 5.900 -8.942 2.129 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.749 -9.748 5.055 1.00 0.00 C ATOM 0 H ILE A 17 7.948 -11.119 4.777 1.00 0.00 H new ATOM 0 HA ILE A 17 7.367 -11.266 2.094 1.00 0.00 H new ATOM 0 HB ILE A 17 6.971 -8.899 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.910 -11.004 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.116 -11.314 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.074 -8.339 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.620 -8.297 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.518 -9.680 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.060 -10.426 5.558 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.407 -9.287 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.183 -8.973 4.539 1.00 0.00 H new ATOM 224 N ASP A 18 8.366 -9.193 0.840 1.00 0.00 N ATOM 225 CA ASP A 18 9.218 -8.329 0.032 1.00 0.00 C ATOM 226 C ASP A 18 8.392 -7.263 -0.680 1.00 0.00 C ATOM 227 O ASP A 18 7.163 -7.283 -0.633 1.00 0.00 O ATOM 228 CB ASP A 18 9.997 -9.157 -0.991 1.00 0.00 C ATOM 229 CG ASP A 18 10.420 -10.506 -0.444 1.00 0.00 C ATOM 230 OD1 ASP A 18 11.132 -10.533 0.582 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.038 -11.534 -1.040 1.00 0.00 O ATOM 0 H ASP A 18 7.476 -9.435 0.403 1.00 0.00 H new ATOM 0 HA ASP A 18 9.924 -7.831 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.382 -9.305 -1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.881 -8.602 -1.305 1.00 0.00 H new ATOM 236 N GLU A 19 9.076 -6.332 -1.338 1.00 0.00 N ATOM 237 CA GLU A 19 8.405 -5.257 -2.058 1.00 0.00 C ATOM 238 C GLU A 19 7.411 -5.818 -3.071 1.00 0.00 C ATOM 239 O GLU A 19 6.218 -5.518 -3.021 1.00 0.00 O ATOM 240 CB GLU A 19 9.430 -4.371 -2.770 1.00 0.00 C ATOM 241 CG GLU A 19 10.428 -3.719 -1.828 1.00 0.00 C ATOM 242 CD GLU A 19 11.702 -3.294 -2.532 1.00 0.00 C ATOM 243 OE1 GLU A 19 12.466 -4.184 -2.963 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.936 -2.073 -2.652 1.00 0.00 O ATOM 0 H GLU A 19 10.094 -6.301 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 19 7.858 -4.655 -1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.972 -4.971 -3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.904 -3.593 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.967 -2.848 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.675 -4.416 -1.027 1.00 0.00 H new ATOM 251 N LYS A 20 7.912 -6.635 -3.992 1.00 0.00 N ATOM 252 CA LYS A 20 7.070 -7.241 -5.017 1.00 0.00 C ATOM 253 C LYS A 20 5.775 -7.775 -4.413 1.00 0.00 C ATOM 254 O LYS A 20 4.682 -7.353 -4.792 1.00 0.00 O ATOM 255 CB LYS A 20 7.823 -8.372 -5.721 1.00 0.00 C ATOM 256 CG LYS A 20 7.011 -9.060 -6.806 1.00 0.00 C ATOM 257 CD LYS A 20 7.039 -8.273 -8.106 1.00 0.00 C ATOM 258 CE LYS A 20 6.499 -9.095 -9.266 1.00 0.00 C ATOM 259 NZ LYS A 20 5.019 -8.979 -9.385 1.00 0.00 N ATOM 0 H LYS A 20 8.897 -6.893 -4.049 1.00 0.00 H new ATOM 0 HA LYS A 20 6.818 -6.471 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.736 -7.971 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.125 -9.112 -4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.405 -10.062 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.980 -9.176 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.447 -7.365 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.061 -7.963 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.965 -8.764 -10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.772 -10.141 -9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.689 -9.553 -10.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.573 -9.318 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.760 -7.984 -9.542 1.00 0.00 H new ATOM 273 N LEU A 21 5.906 -8.703 -3.472 1.00 0.00 N ATOM 274 CA LEU A 21 4.746 -9.294 -2.814 1.00 0.00 C ATOM 275 C LEU A 21 3.771 -8.215 -2.356 1.00 0.00 C ATOM 276 O LEU A 21 2.662 -8.101 -2.880 1.00 0.00 O ATOM 277 CB LEU A 21 5.189 -10.139 -1.618 1.00 0.00 C ATOM 278 CG LEU A 21 4.159 -11.132 -1.080 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.912 -12.244 -2.088 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.619 -11.709 0.251 1.00 0.00 C ATOM 0 H LEU A 21 6.804 -9.063 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 21 4.237 -9.934 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.084 -10.693 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.473 -9.466 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 21 3.221 -10.601 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.176 -12.941 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.538 -11.816 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.845 -12.773 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.873 -12.414 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.570 -12.224 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.744 -10.902 0.974 1.00 0.00 H new ATOM 292 N LEU A 22 4.192 -7.422 -1.376 1.00 0.00 N ATOM 293 CA LEU A 22 3.357 -6.349 -0.848 1.00 0.00 C ATOM 294 C LEU A 22 2.643 -5.610 -1.975 1.00 0.00 C ATOM 295 O LEU A 22 1.429 -5.410 -1.928 1.00 0.00 O ATOM 296 CB LEU A 22 4.206 -5.368 -0.037 1.00 0.00 C ATOM 297 CG LEU A 22 4.456 -5.745 1.423 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.488 -4.817 2.045 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.156 -5.707 2.214 1.00 0.00 C ATOM 0 H LEU A 22 5.106 -7.502 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 22 2.605 -6.794 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.170 -5.257 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.721 -4.392 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 22 4.847 -6.762 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.653 -5.101 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.426 -4.894 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.126 -3.790 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.353 -5.978 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.736 -4.702 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.447 -6.414 1.783 1.00 0.00 H new ATOM 311 N TYR A 23 3.403 -5.209 -2.987 1.00 0.00 N ATOM 312 CA TYR A 23 2.843 -4.492 -4.127 1.00 0.00 C ATOM 313 C TYR A 23 1.651 -5.244 -4.711 1.00 0.00 C ATOM 314 O TYR A 23 0.688 -4.636 -5.179 1.00 0.00 O ATOM 315 CB TYR A 23 3.911 -4.290 -5.204 1.00 0.00 C ATOM 316 CG TYR A 23 3.409 -3.548 -6.422 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.505 -4.140 -7.296 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.839 -2.256 -6.700 1.00 0.00 C ATOM 319 CE1 TYR A 23 2.044 -3.466 -8.411 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.382 -1.575 -7.811 1.00 0.00 C ATOM 321 CZ TYR A 23 2.485 -2.184 -8.664 1.00 0.00 C ATOM 322 OH TYR A 23 2.029 -1.509 -9.773 1.00 0.00 O ATOM 0 H TYR A 23 4.409 -5.368 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 23 2.500 -3.518 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.749 -3.741 -4.774 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.292 -5.263 -5.513 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.157 -5.144 -7.101 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.543 -1.776 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.342 -3.941 -9.081 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.725 -0.571 -8.011 1.00 0.00 H new ATOM 0 HH TYR A 23 2.436 -0.618 -9.804 1.00 0.00 H new ATOM 332 N ASP A 24 1.723 -6.570 -4.679 1.00 0.00 N ATOM 333 CA ASP A 24 0.650 -7.407 -5.204 1.00 0.00 C ATOM 334 C ASP A 24 -0.463 -7.572 -4.174 1.00 0.00 C ATOM 335 O ASP A 24 -1.635 -7.330 -4.465 1.00 0.00 O ATOM 336 CB ASP A 24 1.195 -8.778 -5.608 1.00 0.00 C ATOM 337 CG ASP A 24 0.131 -9.665 -6.224 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.408 -9.294 -7.288 1.00 0.00 O ATOM 339 OD2 ASP A 24 -0.161 -10.730 -5.643 1.00 0.00 O ATOM 0 H ASP A 24 2.513 -7.089 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 24 0.236 -6.915 -6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.011 -8.646 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.613 -9.272 -4.731 1.00 0.00 H new ATOM 344 N THR A 25 -0.089 -7.986 -2.967 1.00 0.00 N ATOM 345 CA THR A 25 -1.055 -8.186 -1.894 1.00 0.00 C ATOM 346 C THR A 25 -1.934 -6.954 -1.709 1.00 0.00 C ATOM 347 O THR A 25 -3.089 -7.060 -1.299 1.00 0.00 O ATOM 348 CB THR A 25 -0.355 -8.509 -0.560 1.00 0.00 C ATOM 349 OG1 THR A 25 0.243 -9.808 -0.623 1.00 0.00 O ATOM 350 CG2 THR A 25 -1.342 -8.454 0.596 1.00 0.00 C ATOM 0 H THR A 25 0.876 -8.189 -2.708 1.00 0.00 H new ATOM 0 HA THR A 25 -1.677 -9.033 -2.183 1.00 0.00 H new ATOM 0 HB THR A 25 0.420 -7.761 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.687 -10.005 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.825 -8.685 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.773 -7.455 0.659 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.136 -9.182 0.431 1.00 0.00 H new ATOM 358 N PHE A 26 -1.379 -5.786 -2.015 1.00 0.00 N ATOM 359 CA PHE A 26 -2.112 -4.533 -1.881 1.00 0.00 C ATOM 360 C PHE A 26 -2.706 -4.105 -3.221 1.00 0.00 C ATOM 361 O PHE A 26 -3.843 -3.639 -3.287 1.00 0.00 O ATOM 362 CB PHE A 26 -1.193 -3.434 -1.344 1.00 0.00 C ATOM 363 CG PHE A 26 -0.959 -3.520 0.137 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.274 -4.595 0.682 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.423 -2.527 0.985 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.056 -4.677 2.045 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.208 -2.604 2.348 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.525 -3.681 2.878 1.00 0.00 C ATOM 0 H PHE A 26 -0.424 -5.681 -2.357 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.927 -4.692 -1.175 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.234 -3.489 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.626 -2.462 -1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.094 -5.377 0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.959 -1.683 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.480 -5.519 2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.574 -1.823 2.998 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.358 -3.744 3.943 1.00 0.00 H new ATOM 378 N SER A 27 -1.926 -4.267 -4.285 1.00 0.00 N ATOM 379 CA SER A 27 -2.372 -3.894 -5.623 1.00 0.00 C ATOM 380 C SER A 27 -3.795 -4.381 -5.876 1.00 0.00 C ATOM 381 O SER A 27 -4.497 -3.858 -6.742 1.00 0.00 O ATOM 382 CB SER A 27 -1.427 -4.472 -6.678 1.00 0.00 C ATOM 383 OG SER A 27 -2.098 -4.669 -7.910 1.00 0.00 O ATOM 0 H SER A 27 -0.983 -4.654 -4.247 1.00 0.00 H new ATOM 0 HA SER A 27 -2.361 -2.806 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.583 -3.798 -6.824 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.020 -5.420 -6.326 1.00 0.00 H new ATOM 0 HG SER A 27 -1.472 -5.038 -8.568 1.00 0.00 H new ATOM 389 N ALA A 28 -4.215 -5.386 -5.115 1.00 0.00 N ATOM 390 CA ALA A 28 -5.554 -5.943 -5.255 1.00 0.00 C ATOM 391 C ALA A 28 -6.619 -4.871 -5.051 1.00 0.00 C ATOM 392 O ALA A 28 -7.489 -4.675 -5.900 1.00 0.00 O ATOM 393 CB ALA A 28 -5.757 -7.085 -4.270 1.00 0.00 C ATOM 0 H ALA A 28 -3.646 -5.831 -4.395 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.655 -6.330 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.762 -7.491 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.024 -7.868 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.631 -6.715 -3.253 1.00 0.00 H new ATOM 399 N PHE A 29 -6.545 -4.179 -3.919 1.00 0.00 N ATOM 400 CA PHE A 29 -7.504 -3.127 -3.602 1.00 0.00 C ATOM 401 C PHE A 29 -7.461 -2.018 -4.649 1.00 0.00 C ATOM 402 O PHE A 29 -8.496 -1.492 -5.056 1.00 0.00 O ATOM 403 CB PHE A 29 -7.217 -2.547 -2.216 1.00 0.00 C ATOM 404 CG PHE A 29 -7.202 -3.579 -1.125 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.372 -4.208 -0.731 1.00 0.00 C ATOM 406 CD2 PHE A 29 -6.017 -3.921 -0.494 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.360 -5.157 0.273 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.999 -4.871 0.510 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.172 -5.490 0.894 1.00 0.00 C ATOM 0 H PHE A 29 -5.831 -4.328 -3.206 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.502 -3.566 -3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.253 -2.038 -2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.970 -1.794 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.304 -3.954 -1.214 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.097 -3.440 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.279 -5.638 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.068 -5.129 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.161 -6.233 1.678 1.00 0.00 H new ATOM 419 N GLY A 30 -6.253 -1.667 -5.081 1.00 0.00 N ATOM 420 CA GLY A 30 -6.096 -0.622 -6.076 1.00 0.00 C ATOM 421 C GLY A 30 -4.680 -0.539 -6.610 1.00 0.00 C ATOM 422 O GLY A 30 -3.772 -1.186 -6.088 1.00 0.00 O ATOM 0 H GLY A 30 -5.381 -2.088 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.783 -0.805 -6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.373 0.337 -5.638 1.00 0.00 H new ATOM 426 N VAL A 31 -4.489 0.259 -7.656 1.00 0.00 N ATOM 427 CA VAL A 31 -3.174 0.424 -8.262 1.00 0.00 C ATOM 428 C VAL A 31 -2.276 1.301 -7.397 1.00 0.00 C ATOM 429 O VAL A 31 -2.691 2.364 -6.933 1.00 0.00 O ATOM 430 CB VAL A 31 -3.277 1.044 -9.668 1.00 0.00 C ATOM 431 CG1 VAL A 31 -1.894 1.229 -10.274 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.151 0.183 -10.567 1.00 0.00 C ATOM 0 H VAL A 31 -5.229 0.801 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.737 -0.571 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.742 2.026 -9.579 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.988 1.668 -11.267 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.304 1.890 -9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.398 0.261 -10.350 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.213 0.636 -11.556 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.717 -0.813 -10.651 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.151 0.108 -10.139 1.00 0.00 H new ATOM 442 N ILE A 32 -1.045 0.849 -7.183 1.00 0.00 N ATOM 443 CA ILE A 32 -0.088 1.594 -6.374 1.00 0.00 C ATOM 444 C ILE A 32 0.536 2.734 -7.172 1.00 0.00 C ATOM 445 O ILE A 32 0.857 2.579 -8.351 1.00 0.00 O ATOM 446 CB ILE A 32 1.033 0.680 -5.844 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.461 -0.351 -4.869 1.00 0.00 C ATOM 448 CG2 ILE A 32 2.118 1.508 -5.173 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.343 -1.567 -4.691 1.00 0.00 C ATOM 0 H ILE A 32 -0.687 -0.029 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.641 2.005 -5.529 1.00 0.00 H new ATOM 0 HB ILE A 32 1.478 0.149 -6.685 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.309 0.123 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.518 -0.671 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.903 0.848 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.541 2.207 -5.895 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.689 2.063 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.876 -2.255 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.475 -2.065 -5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.315 -1.258 -4.306 1.00 0.00 H new ATOM 461 N LEU A 33 0.706 3.880 -6.521 1.00 0.00 N ATOM 462 CA LEU A 33 1.294 5.048 -7.169 1.00 0.00 C ATOM 463 C LEU A 33 2.754 4.793 -7.530 1.00 0.00 C ATOM 464 O LEU A 33 3.173 5.030 -8.663 1.00 0.00 O ATOM 465 CB LEU A 33 1.189 6.269 -6.254 1.00 0.00 C ATOM 466 CG LEU A 33 -0.201 6.893 -6.124 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.216 7.937 -5.019 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.635 7.507 -7.447 1.00 0.00 C ATOM 0 H LEU A 33 0.445 4.025 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 33 0.740 5.241 -8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.531 5.983 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.875 7.033 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.909 6.107 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.213 8.370 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.051 7.468 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.504 8.722 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.626 7.946 -7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.075 8.281 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.665 6.734 -8.215 1.00 0.00 H new ATOM 480 N GLN A 34 3.522 4.306 -6.560 1.00 0.00 N ATOM 481 CA GLN A 34 4.935 4.018 -6.777 1.00 0.00 C ATOM 482 C GLN A 34 5.417 2.919 -5.836 1.00 0.00 C ATOM 483 O GLN A 34 4.794 2.648 -4.809 1.00 0.00 O ATOM 484 CB GLN A 34 5.772 5.282 -6.576 1.00 0.00 C ATOM 485 CG GLN A 34 5.296 6.466 -7.402 1.00 0.00 C ATOM 486 CD GLN A 34 6.022 7.750 -7.055 1.00 0.00 C ATOM 487 OE1 GLN A 34 6.992 8.126 -7.714 1.00 0.00 O ATOM 488 NE2 GLN A 34 5.556 8.431 -6.015 1.00 0.00 N ATOM 0 H GLN A 34 3.190 4.103 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 34 5.056 3.671 -7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.754 5.555 -5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.809 5.065 -6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.439 6.247 -8.460 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.226 6.605 -7.247 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.749 8.082 -5.497 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.005 9.303 -5.734 1.00 0.00 H new ATOM 497 N THR A 35 6.530 2.287 -6.194 1.00 0.00 N ATOM 498 CA THR A 35 7.096 1.216 -5.383 1.00 0.00 C ATOM 499 C THR A 35 6.987 1.536 -3.896 1.00 0.00 C ATOM 500 O THR A 35 7.282 2.647 -3.453 1.00 0.00 O ATOM 501 CB THR A 35 8.574 0.964 -5.736 1.00 0.00 C ATOM 502 OG1 THR A 35 8.665 0.101 -6.875 1.00 0.00 O ATOM 503 CG2 THR A 35 9.312 0.341 -4.561 1.00 0.00 C ATOM 0 H THR A 35 7.058 2.498 -7.041 1.00 0.00 H new ATOM 0 HA THR A 35 6.520 0.317 -5.601 1.00 0.00 H new ATOM 0 HB THR A 35 9.038 1.922 -5.969 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.608 -0.053 -7.094 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.354 0.172 -4.834 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.266 1.013 -3.704 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.846 -0.610 -4.302 1.00 0.00 H new ATOM 511 N PRO A 36 6.555 0.543 -3.106 1.00 0.00 N ATOM 512 CA PRO A 36 6.399 0.695 -1.656 1.00 0.00 C ATOM 513 C PRO A 36 7.739 0.815 -0.939 1.00 0.00 C ATOM 514 O PRO A 36 8.764 0.344 -1.432 1.00 0.00 O ATOM 515 CB PRO A 36 5.682 -0.591 -1.239 1.00 0.00 C ATOM 516 CG PRO A 36 6.047 -1.585 -2.287 1.00 0.00 C ATOM 517 CD PRO A 36 6.185 -0.806 -3.566 1.00 0.00 C ATOM 0 HA PRO A 36 5.856 1.604 -1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.004 -0.921 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.603 -0.445 -1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.979 -2.092 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.280 -2.354 -2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.949 -1.233 -4.216 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.254 -0.796 -4.133 1.00 0.00 H new ATOM 525 N LYS A 37 7.725 1.448 0.230 1.00 0.00 N ATOM 526 CA LYS A 37 8.939 1.628 1.017 1.00 0.00 C ATOM 527 C LYS A 37 8.895 0.783 2.287 1.00 0.00 C ATOM 528 O LYS A 37 7.867 0.715 2.962 1.00 0.00 O ATOM 529 CB LYS A 37 9.121 3.104 1.381 1.00 0.00 C ATOM 530 CG LYS A 37 9.437 3.989 0.188 1.00 0.00 C ATOM 531 CD LYS A 37 9.850 5.385 0.623 1.00 0.00 C ATOM 532 CE LYS A 37 10.587 6.120 -0.486 1.00 0.00 C ATOM 533 NZ LYS A 37 9.661 6.581 -1.556 1.00 0.00 N ATOM 0 H LYS A 37 6.886 1.845 0.653 1.00 0.00 H new ATOM 0 HA LYS A 37 9.785 1.301 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.212 3.466 1.861 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.925 3.193 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.237 3.538 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.563 4.053 -0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.966 5.953 0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.489 5.319 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.113 6.978 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.342 5.463 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.202 7.077 -2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.178 5.760 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.955 7.228 -1.150 1.00 0.00 H new ATOM 547 N ILE A 38 10.014 0.143 2.605 1.00 0.00 N ATOM 548 CA ILE A 38 10.103 -0.695 3.794 1.00 0.00 C ATOM 549 C ILE A 38 11.256 -0.257 4.691 1.00 0.00 C ATOM 550 O ILE A 38 12.395 -0.138 4.241 1.00 0.00 O ATOM 551 CB ILE A 38 10.290 -2.179 3.425 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.114 -2.669 2.579 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.434 -3.023 4.682 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.330 -4.041 1.980 1.00 0.00 C ATOM 0 H ILE A 38 10.872 0.189 2.056 1.00 0.00 H new ATOM 0 HA ILE A 38 9.162 -0.579 4.332 1.00 0.00 H new ATOM 0 HB ILE A 38 11.202 -2.280 2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.216 -2.688 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.933 -1.955 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.565 -4.069 4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.302 -2.686 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.538 -2.920 5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.456 -4.324 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.209 -4.022 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.481 -4.767 2.779 1.00 0.00 H new ATOM 566 N MET A 39 10.951 -0.019 5.963 1.00 0.00 N ATOM 567 CA MET A 39 11.963 0.404 6.924 1.00 0.00 C ATOM 568 C MET A 39 12.892 -0.753 7.279 1.00 0.00 C ATOM 569 O MET A 39 12.438 -1.861 7.565 1.00 0.00 O ATOM 570 CB MET A 39 11.299 0.947 8.191 1.00 0.00 C ATOM 571 CG MET A 39 10.381 2.132 7.935 1.00 0.00 C ATOM 572 SD MET A 39 11.117 3.355 6.834 1.00 0.00 S ATOM 573 CE MET A 39 9.662 3.970 5.990 1.00 0.00 C ATOM 0 H MET A 39 10.012 -0.112 6.351 1.00 0.00 H new ATOM 0 HA MET A 39 12.555 1.196 6.465 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.726 0.148 8.662 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.073 1.244 8.899 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.446 1.776 7.503 1.00 0.00 H new ATOM 0 HG3 MET A 39 10.133 2.606 8.885 1.00 0.00 H new ATOM 0 HE1 MET A 39 9.965 4.573 5.134 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.058 3.130 5.646 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.075 4.582 6.675 1.00 0.00 H new ATOM 583 N ARG A 40 14.195 -0.488 7.258 1.00 0.00 N ATOM 584 CA ARG A 40 15.187 -1.508 7.576 1.00 0.00 C ATOM 585 C ARG A 40 16.028 -1.091 8.779 1.00 0.00 C ATOM 586 O ARG A 40 16.011 0.070 9.189 1.00 0.00 O ATOM 587 CB ARG A 40 16.093 -1.762 6.370 1.00 0.00 C ATOM 588 CG ARG A 40 15.449 -2.622 5.295 1.00 0.00 C ATOM 589 CD ARG A 40 16.388 -2.839 4.119 1.00 0.00 C ATOM 590 NE ARG A 40 15.666 -3.200 2.902 1.00 0.00 N ATOM 591 CZ ARG A 40 16.238 -3.782 1.853 1.00 0.00 C ATOM 592 NH1 ARG A 40 17.533 -4.066 1.873 1.00 0.00 N ATOM 593 NH2 ARG A 40 15.514 -4.080 0.782 1.00 0.00 N ATOM 0 H ARG A 40 14.588 0.424 7.024 1.00 0.00 H new ATOM 0 HA ARG A 40 14.659 -2.428 7.825 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.380 -0.805 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 40 17.009 -2.245 6.710 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.166 -3.586 5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.532 -2.146 4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 40 16.964 -1.931 3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.101 -3.626 4.365 1.00 0.00 H new ATOM 0 HE ARG A 40 14.668 -2.994 2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 40 18.093 -3.838 2.695 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.970 -4.513 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.518 -3.862 0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.954 -4.527 -0.023 1.00 0.00 H new ATOM 607 N ASP A 41 16.762 -2.045 9.340 1.00 0.00 N ATOM 608 CA ASP A 41 17.611 -1.777 10.496 1.00 0.00 C ATOM 609 C ASP A 41 19.064 -1.592 10.071 1.00 0.00 C ATOM 610 O ASP A 41 19.653 -2.439 9.400 1.00 0.00 O ATOM 611 CB ASP A 41 17.504 -2.918 11.509 1.00 0.00 C ATOM 612 CG ASP A 41 17.724 -2.450 12.934 1.00 0.00 C ATOM 613 OD1 ASP A 41 17.111 -1.435 13.325 1.00 0.00 O ATOM 614 OD2 ASP A 41 18.510 -3.097 13.657 1.00 0.00 O ATOM 0 H ASP A 41 16.787 -3.011 9.014 1.00 0.00 H new ATOM 0 HA ASP A 41 17.267 -0.854 10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.520 -3.380 11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.237 -3.687 11.265 1.00 0.00 H new ATOM 619 N PRO A 42 19.658 -0.457 10.471 1.00 0.00 N ATOM 620 CA PRO A 42 21.049 -0.134 10.143 1.00 0.00 C ATOM 621 C PRO A 42 22.041 -1.027 10.880 1.00 0.00 C ATOM 622 O PRO A 42 23.169 -1.224 10.427 1.00 0.00 O ATOM 623 CB PRO A 42 21.193 1.319 10.603 1.00 0.00 C ATOM 624 CG PRO A 42 20.165 1.483 11.668 1.00 0.00 C ATOM 625 CD PRO A 42 19.016 0.597 11.274 1.00 0.00 C ATOM 0 HA PRO A 42 21.264 -0.284 9.085 1.00 0.00 H new ATOM 0 HB2 PRO A 42 22.194 1.516 10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 42 21.024 2.013 9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.563 1.197 12.642 1.00 0.00 H new ATOM 0 HG3 PRO A 42 19.847 2.523 11.747 1.00 0.00 H new ATOM 0 HD2 PRO A 42 18.509 0.185 12.146 1.00 0.00 H new ATOM 0 HD3 PRO A 42 18.268 1.142 10.698 1.00 0.00 H new ATOM 633 N ASP A 43 21.614 -1.565 12.016 1.00 0.00 N ATOM 634 CA ASP A 43 22.465 -2.440 12.815 1.00 0.00 C ATOM 635 C ASP A 43 22.876 -3.674 12.019 1.00 0.00 C ATOM 636 O ASP A 43 24.046 -3.843 11.675 1.00 0.00 O ATOM 637 CB ASP A 43 21.741 -2.861 14.095 1.00 0.00 C ATOM 638 CG ASP A 43 21.809 -1.799 15.175 1.00 0.00 C ATOM 639 OD1 ASP A 43 22.805 -1.046 15.206 1.00 0.00 O ATOM 640 OD2 ASP A 43 20.865 -1.721 15.989 1.00 0.00 O ATOM 0 H ASP A 43 20.684 -1.411 12.405 1.00 0.00 H new ATOM 0 HA ASP A 43 23.365 -1.886 13.081 1.00 0.00 H new ATOM 0 HB2 ASP A 43 20.697 -3.075 13.865 1.00 0.00 H new ATOM 0 HB3 ASP A 43 22.180 -3.785 14.470 1.00 0.00 H new ATOM 645 N THR A 44 21.906 -4.536 11.729 1.00 0.00 N ATOM 646 CA THR A 44 22.167 -5.755 10.976 1.00 0.00 C ATOM 647 C THR A 44 21.605 -5.659 9.562 1.00 0.00 C ATOM 648 O THR A 44 22.268 -6.029 8.594 1.00 0.00 O ATOM 649 CB THR A 44 21.560 -6.987 11.674 1.00 0.00 C ATOM 650 OG1 THR A 44 21.594 -8.116 10.792 1.00 0.00 O ATOM 651 CG2 THR A 44 20.126 -6.715 12.102 1.00 0.00 C ATOM 0 H THR A 44 20.932 -4.411 12.005 1.00 0.00 H new ATOM 0 HA THR A 44 23.250 -5.870 10.927 1.00 0.00 H new ATOM 0 HB THR A 44 22.153 -7.202 12.563 1.00 0.00 H new ATOM 0 HG1 THR A 44 21.208 -8.895 11.243 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.719 -7.599 12.592 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.106 -5.874 12.795 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.524 -6.476 11.225 1.00 0.00 H new ATOM 659 N GLY A 45 20.379 -5.157 9.450 1.00 0.00 N ATOM 660 CA GLY A 45 19.749 -5.021 8.149 1.00 0.00 C ATOM 661 C GLY A 45 18.298 -5.460 8.158 1.00 0.00 C ATOM 662 O GLY A 45 17.475 -4.918 7.422 1.00 0.00 O ATOM 0 H GLY A 45 19.811 -4.842 10.236 1.00 0.00 H new ATOM 0 HA2 GLY A 45 19.809 -3.981 7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.300 -5.613 7.418 1.00 0.00 H new ATOM 666 N ASN A 46 17.985 -6.445 8.993 1.00 0.00 N ATOM 667 CA ASN A 46 16.624 -6.958 9.093 1.00 0.00 C ATOM 668 C ASN A 46 15.609 -5.819 9.063 1.00 0.00 C ATOM 669 O ASN A 46 15.859 -4.737 9.595 1.00 0.00 O ATOM 670 CB ASN A 46 16.456 -7.771 10.379 1.00 0.00 C ATOM 671 CG ASN A 46 15.266 -8.710 10.318 1.00 0.00 C ATOM 672 OD1 ASN A 46 14.197 -8.410 10.850 1.00 0.00 O ATOM 673 ND2 ASN A 46 15.448 -9.853 9.668 1.00 0.00 N ATOM 0 H ASN A 46 18.655 -6.904 9.610 1.00 0.00 H new ATOM 0 HA ASN A 46 16.443 -7.605 8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.362 -8.349 10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.336 -7.091 11.222 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.684 -10.525 9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.352 -10.059 9.242 1.00 0.00 H new ATOM 680 N SER A 47 14.464 -6.070 8.438 1.00 0.00 N ATOM 681 CA SER A 47 13.412 -5.065 8.335 1.00 0.00 C ATOM 682 C SER A 47 12.980 -4.588 9.718 1.00 0.00 C ATOM 683 O SER A 47 12.794 -5.389 10.635 1.00 0.00 O ATOM 684 CB SER A 47 12.209 -5.631 7.579 1.00 0.00 C ATOM 685 OG SER A 47 11.073 -4.798 7.732 1.00 0.00 O ATOM 0 H SER A 47 14.240 -6.961 7.995 1.00 0.00 H new ATOM 0 HA SER A 47 13.810 -4.213 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.453 -5.728 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.982 -6.632 7.947 1.00 0.00 H new ATOM 0 HG SER A 47 11.348 -3.858 7.685 1.00 0.00 H new ATOM 691 N LYS A 48 12.821 -3.277 9.862 1.00 0.00 N ATOM 692 CA LYS A 48 12.409 -2.690 11.132 1.00 0.00 C ATOM 693 C LYS A 48 11.157 -3.377 11.668 1.00 0.00 C ATOM 694 O LYS A 48 11.167 -3.943 12.760 1.00 0.00 O ATOM 695 CB LYS A 48 12.150 -1.191 10.965 1.00 0.00 C ATOM 696 CG LYS A 48 13.384 -0.333 11.182 1.00 0.00 C ATOM 697 CD LYS A 48 13.543 0.055 12.642 1.00 0.00 C ATOM 698 CE LYS A 48 14.249 1.394 12.789 1.00 0.00 C ATOM 699 NZ LYS A 48 15.728 1.257 12.675 1.00 0.00 N ATOM 0 H LYS A 48 12.971 -2.600 9.114 1.00 0.00 H new ATOM 0 HA LYS A 48 13.217 -2.835 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.762 -1.007 9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.376 -0.884 11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.269 -0.876 10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.315 0.567 10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.562 0.106 13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.110 -0.716 13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.888 2.081 12.024 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.998 1.833 13.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.190 1.937 13.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.008 0.291 12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.020 1.448 11.695 1.00 0.00 H new ATOM 713 N GLY A 49 10.080 -3.324 10.891 1.00 0.00 N ATOM 714 CA GLY A 49 8.835 -3.946 11.304 1.00 0.00 C ATOM 715 C GLY A 49 7.621 -3.274 10.695 1.00 0.00 C ATOM 716 O GLY A 49 6.537 -3.858 10.650 1.00 0.00 O ATOM 0 H GLY A 49 10.047 -2.861 9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.846 -4.998 11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.758 -3.912 12.391 1.00 0.00 H new ATOM 720 N TYR A 50 7.800 -2.045 10.226 1.00 0.00 N ATOM 721 CA TYR A 50 6.709 -1.291 9.620 1.00 0.00 C ATOM 722 C TYR A 50 7.111 -0.759 8.247 1.00 0.00 C ATOM 723 O TYR A 50 8.278 -0.456 8.004 1.00 0.00 O ATOM 724 CB TYR A 50 6.296 -0.132 10.528 1.00 0.00 C ATOM 725 CG TYR A 50 7.464 0.569 11.185 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.203 -0.056 12.182 1.00 0.00 C ATOM 727 CD2 TYR A 50 7.829 1.855 10.807 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.270 0.581 12.785 1.00 0.00 C ATOM 729 CE2 TYR A 50 8.896 2.499 11.403 1.00 0.00 C ATOM 730 CZ TYR A 50 9.613 1.858 12.392 1.00 0.00 C ATOM 731 OH TYR A 50 10.676 2.495 12.990 1.00 0.00 O ATOM 0 H TYR A 50 8.691 -1.549 10.254 1.00 0.00 H new ATOM 0 HA TYR A 50 5.861 -1.965 9.494 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.730 0.593 9.943 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.627 -0.508 11.302 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.939 -1.057 12.491 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.269 2.360 10.034 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.833 0.082 13.560 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.167 3.498 11.096 1.00 0.00 H new ATOM 0 HH TYR A 50 10.786 3.387 12.598 1.00 0.00 H new ATOM 741 N ALA A 51 6.133 -0.647 7.354 1.00 0.00 N ATOM 742 CA ALA A 51 6.382 -0.149 6.007 1.00 0.00 C ATOM 743 C ALA A 51 5.384 0.941 5.631 1.00 0.00 C ATOM 744 O ALA A 51 4.454 1.232 6.384 1.00 0.00 O ATOM 745 CB ALA A 51 6.324 -1.290 5.003 1.00 0.00 C ATOM 0 H ALA A 51 5.161 -0.894 7.539 1.00 0.00 H new ATOM 0 HA ALA A 51 7.381 0.287 5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.512 -0.903 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.081 -2.033 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.337 -1.752 5.034 1.00 0.00 H new ATOM 751 N PHE A 52 5.582 1.541 4.462 1.00 0.00 N ATOM 752 CA PHE A 52 4.700 2.601 3.987 1.00 0.00 C ATOM 753 C PHE A 52 4.334 2.387 2.521 1.00 0.00 C ATOM 754 O PHE A 52 5.178 2.006 1.709 1.00 0.00 O ATOM 755 CB PHE A 52 5.366 3.966 4.165 1.00 0.00 C ATOM 756 CG PHE A 52 5.325 4.474 5.578 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.261 4.050 6.508 1.00 0.00 C ATOM 758 CD2 PHE A 52 4.352 5.376 5.976 1.00 0.00 C ATOM 759 CE1 PHE A 52 6.225 4.515 7.809 1.00 0.00 C ATOM 760 CE2 PHE A 52 4.311 5.845 7.276 1.00 0.00 C ATOM 761 CZ PHE A 52 5.250 5.415 8.193 1.00 0.00 C ATOM 0 H PHE A 52 6.346 1.311 3.826 1.00 0.00 H new ATOM 0 HA PHE A 52 3.786 2.572 4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.405 3.899 3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.875 4.689 3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.027 3.348 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.617 5.717 5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.959 4.175 8.525 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.546 6.547 7.574 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.222 5.782 9.208 1.00 0.00 H new ATOM 771 N ILE A 53 3.071 2.635 2.191 1.00 0.00 N ATOM 772 CA ILE A 53 2.594 2.470 0.824 1.00 0.00 C ATOM 773 C ILE A 53 1.506 3.487 0.495 1.00 0.00 C ATOM 774 O ILE A 53 0.703 3.851 1.353 1.00 0.00 O ATOM 775 CB ILE A 53 2.043 1.052 0.586 1.00 0.00 C ATOM 776 CG1 ILE A 53 3.010 0.006 1.144 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.801 0.819 -0.898 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.507 -1.415 1.012 1.00 0.00 C ATOM 0 H ILE A 53 2.360 2.951 2.851 1.00 0.00 H new ATOM 0 HA ILE A 53 3.451 2.632 0.170 1.00 0.00 H new ATOM 0 HB ILE A 53 1.091 0.956 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.965 0.094 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.196 0.220 2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.412 -0.188 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.079 1.547 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.739 0.931 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.244 -2.102 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.567 -1.520 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.348 -1.648 -0.041 1.00 0.00 H new ATOM 790 N ASN A 54 1.485 3.941 -0.754 1.00 0.00 N ATOM 791 CA ASN A 54 0.494 4.915 -1.197 1.00 0.00 C ATOM 792 C ASN A 54 -0.287 4.390 -2.397 1.00 0.00 C ATOM 793 O ASN A 54 0.297 3.921 -3.375 1.00 0.00 O ATOM 794 CB ASN A 54 1.174 6.238 -1.556 1.00 0.00 C ATOM 795 CG ASN A 54 1.392 7.124 -0.344 1.00 0.00 C ATOM 796 OD1 ASN A 54 1.979 6.700 0.651 1.00 0.00 O ATOM 797 ND2 ASN A 54 0.916 8.361 -0.423 1.00 0.00 N ATOM 0 H ASN A 54 2.143 3.650 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.205 5.083 -0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.134 6.033 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.565 6.770 -2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.031 9.003 0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.436 8.670 -1.268 1.00 0.00 H new ATOM 804 N PHE A 55 -1.611 4.471 -2.317 1.00 0.00 N ATOM 805 CA PHE A 55 -2.472 4.004 -3.397 1.00 0.00 C ATOM 806 C PHE A 55 -2.761 5.128 -4.388 1.00 0.00 C ATOM 807 O PHE A 55 -2.450 6.291 -4.131 1.00 0.00 O ATOM 808 CB PHE A 55 -3.785 3.459 -2.830 1.00 0.00 C ATOM 809 CG PHE A 55 -3.698 2.027 -2.386 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.182 1.704 -1.141 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.132 1.004 -3.213 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.100 0.387 -0.730 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.053 -0.315 -2.807 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.537 -0.624 -1.564 1.00 0.00 C ATOM 0 H PHE A 55 -2.111 4.856 -1.515 1.00 0.00 H new ATOM 0 HA PHE A 55 -1.951 3.205 -3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.090 4.075 -1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.564 3.550 -3.587 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.840 2.490 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.537 1.240 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.695 0.148 0.242 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.395 -1.103 -3.461 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.475 -1.654 -1.244 1.00 0.00 H new ATOM 824 N ALA A 56 -3.356 4.771 -5.521 1.00 0.00 N ATOM 825 CA ALA A 56 -3.688 5.748 -6.550 1.00 0.00 C ATOM 826 C ALA A 56 -5.121 6.244 -6.395 1.00 0.00 C ATOM 827 O ALA A 56 -5.444 7.368 -6.779 1.00 0.00 O ATOM 828 CB ALA A 56 -3.481 5.149 -7.933 1.00 0.00 C ATOM 0 H ALA A 56 -3.618 3.812 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.022 6.603 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.733 5.890 -8.692 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.439 4.851 -8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.123 4.276 -8.051 1.00 0.00 H new ATOM 834 N SER A 57 -5.977 5.398 -5.831 1.00 0.00 N ATOM 835 CA SER A 57 -7.378 5.749 -5.629 1.00 0.00 C ATOM 836 C SER A 57 -7.726 5.764 -4.144 1.00 0.00 C ATOM 837 O SER A 57 -7.436 4.814 -3.417 1.00 0.00 O ATOM 838 CB SER A 57 -8.285 4.761 -6.367 1.00 0.00 C ATOM 839 OG SER A 57 -9.652 5.082 -6.173 1.00 0.00 O ATOM 0 H SER A 57 -5.725 4.465 -5.506 1.00 0.00 H new ATOM 0 HA SER A 57 -7.538 6.749 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.052 4.774 -7.432 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.092 3.749 -6.011 1.00 0.00 H new ATOM 0 HG SER A 57 -10.211 4.438 -6.656 1.00 0.00 H new ATOM 845 N PHE A 58 -8.350 6.851 -3.700 1.00 0.00 N ATOM 846 CA PHE A 58 -8.737 6.992 -2.301 1.00 0.00 C ATOM 847 C PHE A 58 -9.527 5.775 -1.830 1.00 0.00 C ATOM 848 O PHE A 58 -9.307 5.266 -0.731 1.00 0.00 O ATOM 849 CB PHE A 58 -9.569 8.261 -2.106 1.00 0.00 C ATOM 850 CG PHE A 58 -9.003 9.463 -2.806 1.00 0.00 C ATOM 851 CD1 PHE A 58 -9.354 9.748 -4.116 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.119 10.308 -2.155 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.834 10.853 -4.763 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.595 11.415 -2.797 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.954 11.688 -4.102 1.00 0.00 C ATOM 0 H PHE A 58 -8.598 7.646 -4.289 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.828 7.066 -1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.581 8.082 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.647 8.475 -1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.042 9.099 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.836 10.100 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.115 11.064 -5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.906 12.065 -2.278 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.548 12.553 -4.605 1.00 0.00 H new ATOM 865 N ASP A 59 -10.448 5.314 -2.669 1.00 0.00 N ATOM 866 CA ASP A 59 -11.272 4.156 -2.340 1.00 0.00 C ATOM 867 C ASP A 59 -10.402 2.955 -1.981 1.00 0.00 C ATOM 868 O ASP A 59 -10.695 2.227 -1.033 1.00 0.00 O ATOM 869 CB ASP A 59 -12.188 3.805 -3.513 1.00 0.00 C ATOM 870 CG ASP A 59 -13.485 4.590 -3.490 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.476 5.765 -3.916 1.00 0.00 O ATOM 872 OD2 ASP A 59 -14.509 4.030 -3.047 1.00 0.00 O ATOM 0 H ASP A 59 -10.643 5.724 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.884 4.411 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.665 4.000 -4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.412 2.738 -3.489 1.00 0.00 H new ATOM 877 N ALA A 60 -9.333 2.755 -2.745 1.00 0.00 N ATOM 878 CA ALA A 60 -8.421 1.644 -2.506 1.00 0.00 C ATOM 879 C ALA A 60 -7.897 1.661 -1.074 1.00 0.00 C ATOM 880 O ALA A 60 -7.930 0.646 -0.379 1.00 0.00 O ATOM 881 CB ALA A 60 -7.265 1.689 -3.494 1.00 0.00 C ATOM 0 H ALA A 60 -9.078 3.348 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.973 0.715 -2.651 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.591 0.853 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.652 1.619 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.722 2.627 -3.376 1.00 0.00 H new ATOM 887 N SER A 61 -7.413 2.821 -0.640 1.00 0.00 N ATOM 888 CA SER A 61 -6.877 2.969 0.708 1.00 0.00 C ATOM 889 C SER A 61 -7.926 2.598 1.753 1.00 0.00 C ATOM 890 O SER A 61 -7.634 1.891 2.717 1.00 0.00 O ATOM 891 CB SER A 61 -6.400 4.404 0.935 1.00 0.00 C ATOM 892 OG SER A 61 -6.061 4.620 2.294 1.00 0.00 O ATOM 0 H SER A 61 -7.381 3.671 -1.202 1.00 0.00 H new ATOM 0 HA SER A 61 -6.030 2.291 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.534 4.607 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.182 5.102 0.637 1.00 0.00 H new ATOM 0 HG SER A 61 -6.570 5.382 2.641 1.00 0.00 H new ATOM 898 N ASP A 62 -9.147 3.080 1.553 1.00 0.00 N ATOM 899 CA ASP A 62 -10.241 2.800 2.476 1.00 0.00 C ATOM 900 C ASP A 62 -10.511 1.301 2.558 1.00 0.00 C ATOM 901 O ASP A 62 -10.773 0.766 3.635 1.00 0.00 O ATOM 902 CB ASP A 62 -11.508 3.536 2.038 1.00 0.00 C ATOM 903 CG ASP A 62 -12.530 3.642 3.152 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.895 2.594 3.725 1.00 0.00 O ATOM 905 OD2 ASP A 62 -12.965 4.773 3.452 1.00 0.00 O ATOM 0 H ASP A 62 -9.405 3.667 0.760 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.949 3.154 3.465 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.243 4.536 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.952 3.015 1.190 1.00 0.00 H new ATOM 910 N ALA A 63 -10.448 0.630 1.413 1.00 0.00 N ATOM 911 CA ALA A 63 -10.685 -0.807 1.356 1.00 0.00 C ATOM 912 C ALA A 63 -9.783 -1.552 2.335 1.00 0.00 C ATOM 913 O ALA A 63 -10.251 -2.377 3.119 1.00 0.00 O ATOM 914 CB ALA A 63 -10.469 -1.322 -0.060 1.00 0.00 C ATOM 0 H ALA A 63 -10.235 1.058 0.512 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.720 -0.991 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.649 -2.397 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.159 -0.821 -0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.444 -1.118 -0.369 1.00 0.00 H new ATOM 920 N ALA A 64 -8.489 -1.256 2.283 1.00 0.00 N ATOM 921 CA ALA A 64 -7.522 -1.896 3.166 1.00 0.00 C ATOM 922 C ALA A 64 -7.803 -1.556 4.625 1.00 0.00 C ATOM 923 O ALA A 64 -8.121 -2.435 5.427 1.00 0.00 O ATOM 924 CB ALA A 64 -6.107 -1.484 2.788 1.00 0.00 C ATOM 0 H ALA A 64 -8.086 -0.576 1.638 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.617 -2.975 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.396 -1.970 3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.903 -1.784 1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.007 -0.402 2.876 1.00 0.00 H new ATOM 930 N ILE A 65 -7.681 -0.277 4.964 1.00 0.00 N ATOM 931 CA ILE A 65 -7.922 0.179 6.327 1.00 0.00 C ATOM 932 C ILE A 65 -9.156 -0.493 6.921 1.00 0.00 C ATOM 933 O ILE A 65 -9.282 -0.613 8.139 1.00 0.00 O ATOM 934 CB ILE A 65 -8.105 1.707 6.386 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.815 2.413 5.963 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.516 2.137 7.787 1.00 0.00 C ATOM 937 CD1 ILE A 65 -6.907 3.922 6.018 1.00 0.00 C ATOM 0 H ILE A 65 -7.416 0.462 4.313 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.044 -0.096 6.912 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.897 1.991 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.001 2.083 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.560 2.109 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.642 3.219 7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.457 1.656 8.054 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.744 1.844 8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.957 4.356 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.699 4.263 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.131 4.236 7.037 1.00 0.00 H new ATOM 949 N GLU A 66 -10.061 -0.930 6.052 1.00 0.00 N ATOM 950 CA GLU A 66 -11.285 -1.591 6.491 1.00 0.00 C ATOM 951 C GLU A 66 -11.084 -3.101 6.585 1.00 0.00 C ATOM 952 O GLU A 66 -11.518 -3.737 7.545 1.00 0.00 O ATOM 953 CB GLU A 66 -12.434 -1.277 5.531 1.00 0.00 C ATOM 954 CG GLU A 66 -13.807 -1.369 6.174 1.00 0.00 C ATOM 955 CD GLU A 66 -14.164 -0.128 6.968 1.00 0.00 C ATOM 956 OE1 GLU A 66 -13.464 0.163 7.961 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.143 0.553 6.598 1.00 0.00 O ATOM 0 H GLU A 66 -9.970 -0.839 5.040 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.536 -1.213 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.297 -0.273 5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.390 -1.966 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.557 -1.528 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.839 -2.238 6.831 1.00 0.00 H new ATOM 964 N ALA A 67 -10.424 -3.668 5.580 1.00 0.00 N ATOM 965 CA ALA A 67 -10.164 -5.101 5.549 1.00 0.00 C ATOM 966 C ALA A 67 -8.752 -5.414 6.033 1.00 0.00 C ATOM 967 O ALA A 67 -8.568 -6.117 7.027 1.00 0.00 O ATOM 968 CB ALA A 67 -10.375 -5.646 4.144 1.00 0.00 C ATOM 0 H ALA A 67 -10.060 -3.156 4.777 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.868 -5.587 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.177 -6.718 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.404 -5.465 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.695 -5.146 3.454 1.00 0.00 H new ATOM 974 N MET A 68 -7.758 -4.889 5.324 1.00 0.00 N ATOM 975 CA MET A 68 -6.363 -5.113 5.683 1.00 0.00 C ATOM 976 C MET A 68 -6.115 -4.762 7.147 1.00 0.00 C ATOM 977 O MET A 68 -5.157 -5.238 7.755 1.00 0.00 O ATOM 978 CB MET A 68 -5.444 -4.282 4.785 1.00 0.00 C ATOM 979 CG MET A 68 -5.416 -4.755 3.341 1.00 0.00 C ATOM 980 SD MET A 68 -5.070 -6.518 3.193 1.00 0.00 S ATOM 981 CE MET A 68 -3.436 -6.604 3.921 1.00 0.00 C ATOM 0 H MET A 68 -7.893 -4.306 4.498 1.00 0.00 H new ATOM 0 HA MET A 68 -6.142 -6.171 5.539 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.767 -3.241 4.812 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.432 -4.312 5.188 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.376 -4.537 2.873 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.659 -4.193 2.794 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.792 -7.225 3.298 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.015 -5.601 3.990 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.504 -7.039 4.918 1.00 0.00 H new ATOM 991 N ASN A 69 -6.984 -3.926 7.706 1.00 0.00 N ATOM 992 CA ASN A 69 -6.858 -3.512 9.099 1.00 0.00 C ATOM 993 C ASN A 69 -7.017 -4.704 10.038 1.00 0.00 C ATOM 994 O ASN A 69 -8.113 -4.984 10.522 1.00 0.00 O ATOM 995 CB ASN A 69 -7.902 -2.444 9.431 1.00 0.00 C ATOM 996 CG ASN A 69 -8.269 -2.431 10.902 1.00 0.00 C ATOM 997 OD1 ASN A 69 -7.459 -2.787 11.758 1.00 0.00 O ATOM 998 ND2 ASN A 69 -9.496 -2.021 11.203 1.00 0.00 N ATOM 0 H ASN A 69 -7.782 -3.522 7.216 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.862 -3.093 9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.518 -1.464 9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.799 -2.620 8.837 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.800 -1.992 12.176 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.135 -1.735 10.461 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.915 -5.402 10.291 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.953 -6.556 11.171 1.00 0.00 C ATOM 1007 C GLY A 70 -5.752 -7.860 10.426 1.00 0.00 C ATOM 1008 O GLY A 70 -5.658 -8.923 11.039 1.00 0.00 O ATOM 0 H GLY A 70 -4.996 -5.189 9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.180 -6.454 11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.911 -6.582 11.690 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.690 -7.780 9.101 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.502 -8.965 8.272 1.00 0.00 C ATOM 1014 C GLN A 71 -4.324 -9.797 8.771 1.00 0.00 C ATOM 1015 O GLN A 71 -3.277 -9.257 9.127 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.276 -8.563 6.814 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.558 -8.474 6.002 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.283 -9.802 5.908 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -8.067 -10.158 6.789 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -7.024 -10.543 4.838 1.00 0.00 N ATOM 0 H GLN A 71 -5.767 -6.907 8.578 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.406 -9.571 8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.770 -7.598 6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.608 -9.286 6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.219 -7.735 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.324 -8.120 4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.367 -10.209 4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.482 -11.447 4.721 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.503 -11.112 8.793 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.457 -12.019 9.251 1.00 0.00 C ATOM 1031 C TYR A 72 -2.467 -12.318 8.129 1.00 0.00 C ATOM 1032 O TYR A 72 -2.715 -13.172 7.277 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.071 -13.322 9.765 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.287 -13.957 10.891 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.322 -13.426 12.175 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.509 -15.088 10.671 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.607 -14.003 13.206 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.792 -15.672 11.697 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.844 -15.126 12.963 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.130 -15.704 13.987 1.00 0.00 O ATOM 0 H TYR A 72 -5.363 -11.575 8.499 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.920 -11.533 10.066 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.087 -13.125 10.107 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.144 -14.030 8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.919 -12.547 12.370 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.464 -15.517 9.681 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.645 -13.577 14.198 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.194 -16.551 11.509 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.647 -16.487 13.648 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.343 -11.609 8.136 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.313 -11.798 7.121 1.00 0.00 C ATOM 1052 C LEU A 73 0.715 -12.829 7.573 1.00 0.00 C ATOM 1053 O LEU A 73 0.669 -13.311 8.706 1.00 0.00 O ATOM 1054 CB LEU A 73 0.380 -10.469 6.816 1.00 0.00 C ATOM 1055 CG LEU A 73 1.120 -10.388 5.481 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.282 -11.000 4.369 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.472 -8.944 5.153 1.00 0.00 C ATOM 0 H LEU A 73 -1.122 -10.898 8.833 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.794 -12.166 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.369 -9.678 6.842 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.091 -10.261 7.616 1.00 0.00 H new ATOM 0 HG LEU A 73 2.046 -10.956 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.824 -10.934 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.081 -12.046 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.661 -10.459 4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.998 -8.905 4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.559 -8.353 5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.111 -8.538 5.937 1.00 0.00 H new ATOM 1069 N CYS A 74 1.643 -13.162 6.683 1.00 0.00 N ATOM 1070 CA CYS A 74 2.685 -14.135 6.991 1.00 0.00 C ATOM 1071 C CYS A 74 2.962 -14.178 8.491 1.00 0.00 C ATOM 1072 O CYS A 74 3.811 -13.446 8.996 1.00 0.00 O ATOM 1073 CB CYS A 74 3.969 -13.796 6.233 1.00 0.00 C ATOM 1074 SG CYS A 74 5.265 -15.049 6.378 1.00 0.00 S ATOM 0 H CYS A 74 1.695 -12.772 5.742 1.00 0.00 H new ATOM 0 HA CYS A 74 2.335 -15.118 6.676 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.730 -13.657 5.179 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.355 -12.845 6.601 1.00 0.00 H new ATOM 0 HG CYS A 74 6.299 -14.536 6.975 1.00 0.00 H new ATOM 1080 N ASN A 75 2.238 -15.041 9.196 1.00 0.00 N ATOM 1081 CA ASN A 75 2.404 -15.178 10.638 1.00 0.00 C ATOM 1082 C ASN A 75 2.713 -13.830 11.281 1.00 0.00 C ATOM 1083 O ASN A 75 3.687 -13.693 12.021 1.00 0.00 O ATOM 1084 CB ASN A 75 3.523 -16.174 10.951 1.00 0.00 C ATOM 1085 CG ASN A 75 3.357 -16.820 12.313 1.00 0.00 C ATOM 1086 OD1 ASN A 75 3.249 -16.133 13.329 1.00 0.00 O ATOM 1087 ND2 ASN A 75 3.337 -18.148 12.340 1.00 0.00 N ATOM 0 H ASN A 75 1.531 -15.656 8.792 1.00 0.00 H new ATOM 0 HA ASN A 75 1.468 -15.551 11.052 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.541 -16.949 10.184 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.484 -15.662 10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.229 -18.638 13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.430 -18.677 11.473 1.00 0.00 H new ATOM 1094 N ARG A 76 1.877 -12.837 10.993 1.00 0.00 N ATOM 1095 CA ARG A 76 2.062 -11.500 11.543 1.00 0.00 C ATOM 1096 C ARG A 76 0.856 -10.615 11.237 1.00 0.00 C ATOM 1097 O ARG A 76 0.619 -10.220 10.095 1.00 0.00 O ATOM 1098 CB ARG A 76 3.332 -10.863 10.975 1.00 0.00 C ATOM 1099 CG ARG A 76 4.604 -11.314 11.674 1.00 0.00 C ATOM 1100 CD ARG A 76 5.650 -10.211 11.693 1.00 0.00 C ATOM 1101 NE ARG A 76 6.985 -10.728 11.981 1.00 0.00 N ATOM 1102 CZ ARG A 76 7.397 -11.061 13.200 1.00 0.00 C ATOM 1103 NH1 ARG A 76 6.582 -10.932 14.237 1.00 0.00 N ATOM 1104 NH2 ARG A 76 8.627 -11.525 13.382 1.00 0.00 N ATOM 0 H ARG A 76 1.066 -12.934 10.382 1.00 0.00 H new ATOM 0 HA ARG A 76 2.161 -11.590 12.625 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.406 -11.103 9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.250 -9.779 11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.372 -11.615 12.696 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.007 -12.191 11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.658 -9.703 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.379 -9.468 12.443 1.00 0.00 H new ATOM 0 HE ARG A 76 7.637 -10.840 11.204 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.636 -10.576 14.101 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.901 -11.188 15.171 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.257 -11.626 12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.942 -11.780 14.318 1.00 0.00 H new ATOM 1118 N PRO A 77 0.075 -10.298 12.280 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.119 -9.458 12.148 1.00 0.00 C ATOM 1120 C PRO A 77 -0.774 -8.005 11.839 1.00 0.00 C ATOM 1121 O PRO A 77 -0.496 -7.218 12.744 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.785 -9.569 13.522 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.672 -9.897 14.456 1.00 0.00 C ATOM 1124 CD PRO A 77 0.297 -10.735 13.668 1.00 0.00 C ATOM 0 HA PRO A 77 -1.755 -9.781 11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.274 -8.636 13.801 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.550 -10.345 13.530 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.193 -8.990 14.826 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.040 -10.441 15.326 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.326 -10.563 13.984 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.100 -11.800 13.791 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.794 -7.657 10.557 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.485 -6.298 10.130 1.00 0.00 C ATOM 1134 C ILE A 78 -1.666 -5.363 10.372 1.00 0.00 C ATOM 1135 O ILE A 78 -2.794 -5.811 10.578 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.104 -6.249 8.639 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.358 -6.336 7.766 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.862 -7.375 8.302 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.079 -6.169 6.289 1.00 0.00 C ATOM 0 H ILE A 78 -1.021 -8.297 9.796 1.00 0.00 H new ATOM 0 HA ILE A 78 0.366 -5.967 10.725 1.00 0.00 H new ATOM 0 HB ILE A 78 0.391 -5.299 8.437 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.839 -7.300 7.930 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.065 -5.569 8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.122 -7.327 7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.765 -7.271 8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.392 -8.334 8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.013 -6.242 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.626 -5.193 6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.396 -6.951 5.957 1.00 0.00 H new ATOM 1151 N THR A 79 -1.398 -4.061 10.344 1.00 0.00 N ATOM 1152 CA THR A 79 -2.438 -3.063 10.560 1.00 0.00 C ATOM 1153 C THR A 79 -2.395 -1.984 9.484 1.00 0.00 C ATOM 1154 O THR A 79 -1.321 -1.581 9.037 1.00 0.00 O ATOM 1155 CB THR A 79 -2.301 -2.399 11.943 1.00 0.00 C ATOM 1156 OG1 THR A 79 -3.250 -1.335 12.072 1.00 0.00 O ATOM 1157 CG2 THR A 79 -0.894 -1.858 12.146 1.00 0.00 C ATOM 0 H THR A 79 -0.470 -3.673 10.174 1.00 0.00 H new ATOM 0 HA THR A 79 -3.393 -3.585 10.510 1.00 0.00 H new ATOM 0 HB THR A 79 -2.497 -3.154 12.705 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.157 -0.919 12.955 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.821 -1.394 13.129 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.176 -2.675 12.077 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.675 -1.117 11.378 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.570 -1.518 9.073 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.667 -0.483 8.050 1.00 0.00 C ATOM 1167 C VAL A 80 -4.342 0.770 8.598 1.00 0.00 C ATOM 1168 O VAL A 80 -5.479 0.720 9.067 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.452 -0.979 6.822 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.570 0.124 5.781 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.788 -2.213 6.229 1.00 0.00 C ATOM 0 H VAL A 80 -4.468 -1.841 9.433 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.648 -0.241 7.747 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.457 -1.252 7.142 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.128 -0.246 4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.093 0.977 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.574 0.432 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.356 -2.550 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.771 -1.968 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.761 -3.006 6.976 1.00 0.00 H new ATOM 1181 N SER A 81 -3.633 1.893 8.535 1.00 0.00 N ATOM 1182 CA SER A 81 -4.162 3.159 9.028 1.00 0.00 C ATOM 1183 C SER A 81 -3.613 4.329 8.218 1.00 0.00 C ATOM 1184 O SER A 81 -2.458 4.315 7.790 1.00 0.00 O ATOM 1185 CB SER A 81 -3.814 3.340 10.507 1.00 0.00 C ATOM 1186 OG SER A 81 -2.414 3.268 10.714 1.00 0.00 O ATOM 0 H SER A 81 -2.691 1.952 8.148 1.00 0.00 H new ATOM 0 HA SER A 81 -5.246 3.140 8.917 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.187 4.303 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.312 2.571 11.098 1.00 0.00 H new ATOM 0 HG SER A 81 -2.218 3.388 11.667 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.448 5.341 8.011 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.049 6.519 7.250 1.00 0.00 C ATOM 1194 C TYR A 82 -2.839 7.195 7.887 1.00 0.00 C ATOM 1195 O TYR A 82 -2.946 7.817 8.944 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.211 7.510 7.157 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.093 7.297 5.947 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.604 7.498 4.662 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.415 6.894 6.090 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.407 7.306 3.555 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.224 6.697 4.988 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.716 6.905 3.723 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.519 6.711 2.622 1.00 0.00 O ATOM 0 H TYR A 82 -5.406 5.369 8.360 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.775 6.196 6.246 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.819 7.430 8.058 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.812 8.524 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.579 7.810 4.527 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.817 6.732 7.079 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.012 7.469 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.249 6.382 5.116 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.411 6.429 2.913 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.687 7.068 7.236 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.457 7.668 7.737 1.00 0.00 C ATOM 1215 C ALA A 83 -0.651 9.150 8.037 1.00 0.00 C ATOM 1216 O ALA A 83 -1.077 9.918 7.174 1.00 0.00 O ATOM 1217 CB ALA A 83 0.671 7.474 6.734 1.00 0.00 C ATOM 0 H ALA A 83 -1.580 6.555 6.361 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.191 7.168 8.668 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.584 7.927 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.835 6.409 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.403 7.947 5.789 1.00 0.00 H new ATOM 1223 N PHE A 84 -0.337 9.547 9.266 1.00 0.00 N ATOM 1224 CA PHE A 84 -0.479 10.937 9.680 1.00 0.00 C ATOM 1225 C PHE A 84 0.580 11.813 9.018 1.00 0.00 C ATOM 1226 O PHE A 84 1.654 12.039 9.576 1.00 0.00 O ATOM 1227 CB PHE A 84 -0.373 11.052 11.202 1.00 0.00 C ATOM 1228 CG PHE A 84 -1.238 10.070 11.939 1.00 0.00 C ATOM 1229 CD1 PHE A 84 -2.580 10.337 12.157 1.00 0.00 C ATOM 1230 CD2 PHE A 84 -0.710 8.880 12.413 1.00 0.00 C ATOM 1231 CE1 PHE A 84 -3.378 9.435 12.836 1.00 0.00 C ATOM 1232 CE2 PHE A 84 -1.503 7.974 13.092 1.00 0.00 C ATOM 1233 CZ PHE A 84 -2.840 8.252 13.302 1.00 0.00 C ATOM 0 H PHE A 84 0.018 8.925 9.992 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.462 11.285 9.364 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.665 10.903 11.498 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.648 12.063 11.502 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.007 11.260 11.793 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.334 8.657 12.250 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.422 9.656 13.002 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.078 7.051 13.458 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.463 7.545 13.830 1.00 0.00 H new ATOM 1243 N LYS A 85 0.270 12.304 7.823 1.00 0.00 N ATOM 1244 CA LYS A 85 1.194 13.156 7.082 1.00 0.00 C ATOM 1245 C LYS A 85 0.781 14.621 7.182 1.00 0.00 C ATOM 1246 O LYS A 85 -0.406 14.939 7.258 1.00 0.00 O ATOM 1247 CB LYS A 85 1.247 12.729 5.614 1.00 0.00 C ATOM 1248 CG LYS A 85 2.168 13.588 4.764 1.00 0.00 C ATOM 1249 CD LYS A 85 1.805 13.505 3.291 1.00 0.00 C ATOM 1250 CE LYS A 85 2.906 14.079 2.412 1.00 0.00 C ATOM 1251 NZ LYS A 85 2.913 13.462 1.057 1.00 0.00 N ATOM 0 H LYS A 85 -0.614 12.127 7.346 1.00 0.00 H new ATOM 0 HA LYS A 85 2.185 13.045 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.577 11.692 5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.241 12.767 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.110 14.624 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.200 13.266 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.625 12.465 3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.876 14.047 3.113 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.772 15.157 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.873 13.918 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.677 13.880 0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.066 12.437 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.000 13.637 0.591 1.00 0.00 H new ATOM 1265 N LYS A 86 1.768 15.511 7.180 1.00 0.00 N ATOM 1266 CA LYS A 86 1.509 16.943 7.267 1.00 0.00 C ATOM 1267 C LYS A 86 0.697 17.423 6.068 1.00 0.00 C ATOM 1268 O LYS A 86 1.254 17.916 5.087 1.00 0.00 O ATOM 1269 CB LYS A 86 2.827 17.717 7.348 1.00 0.00 C ATOM 1270 CG LYS A 86 2.670 19.129 7.883 1.00 0.00 C ATOM 1271 CD LYS A 86 3.983 19.892 7.835 1.00 0.00 C ATOM 1272 CE LYS A 86 4.861 19.570 9.034 1.00 0.00 C ATOM 1273 NZ LYS A 86 4.313 20.147 10.293 1.00 0.00 N ATOM 0 H LYS A 86 2.756 15.265 7.119 1.00 0.00 H new ATOM 0 HA LYS A 86 0.931 17.128 8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.521 17.170 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.275 17.761 6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.918 19.659 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.307 19.092 8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.515 19.644 6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.782 20.963 7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.951 18.489 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.865 19.958 8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.056 20.162 11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.982 21.117 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.517 19.565 10.624 1.00 0.00 H new ATOM 1287 N ASP A 87 -0.620 17.277 6.155 1.00 0.00 N ATOM 1288 CA ASP A 87 -1.509 17.698 5.078 1.00 0.00 C ATOM 1289 C ASP A 87 -2.266 18.965 5.463 1.00 0.00 C ATOM 1290 O ASP A 87 -3.463 19.088 5.203 1.00 0.00 O ATOM 1291 CB ASP A 87 -2.497 16.582 4.738 1.00 0.00 C ATOM 1292 CG ASP A 87 -3.188 16.806 3.407 1.00 0.00 C ATOM 1293 OD1 ASP A 87 -4.259 17.448 3.394 1.00 0.00 O ATOM 1294 OD2 ASP A 87 -2.657 16.339 2.377 1.00 0.00 O ATOM 0 H ASP A 87 -1.096 16.870 6.960 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.900 17.913 4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.969 15.628 4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.247 16.512 5.526 1.00 0.00 H new ATOM 1299 N SER A 88 -1.560 19.905 6.084 1.00 0.00 N ATOM 1300 CA SER A 88 -2.167 21.161 6.509 1.00 0.00 C ATOM 1301 C SER A 88 -2.627 21.977 5.304 1.00 0.00 C ATOM 1302 O SER A 88 -1.825 22.640 4.646 1.00 0.00 O ATOM 1303 CB SER A 88 -1.175 21.975 7.342 1.00 0.00 C ATOM 1304 OG SER A 88 -0.752 21.250 8.484 1.00 0.00 O ATOM 0 H SER A 88 -0.568 19.820 6.304 1.00 0.00 H new ATOM 0 HA SER A 88 -3.038 20.927 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.310 22.235 6.732 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.639 22.911 7.653 1.00 0.00 H new ATOM 0 HG SER A 88 -0.117 21.791 8.999 1.00 0.00 H new ATOM 1310 N LYS A 89 -3.924 21.923 5.022 1.00 0.00 N ATOM 1311 CA LYS A 89 -4.494 22.657 3.898 1.00 0.00 C ATOM 1312 C LYS A 89 -4.088 24.126 3.946 1.00 0.00 C ATOM 1313 O LYS A 89 -3.555 24.601 4.948 1.00 0.00 O ATOM 1314 CB LYS A 89 -6.019 22.537 3.905 1.00 0.00 C ATOM 1315 CG LYS A 89 -6.518 21.104 3.841 1.00 0.00 C ATOM 1316 CD LYS A 89 -7.855 20.947 4.545 1.00 0.00 C ATOM 1317 CE LYS A 89 -8.430 19.553 4.345 1.00 0.00 C ATOM 1318 NZ LYS A 89 -9.711 19.370 5.081 1.00 0.00 N ATOM 0 H LYS A 89 -4.601 21.378 5.556 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.106 22.221 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.408 23.008 4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.422 23.091 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.616 20.798 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.784 20.441 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.731 21.141 5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.557 21.689 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.594 19.377 3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.708 18.810 4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.070 18.408 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.550 19.513 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.409 20.062 4.740 1.00 0.00 H new ATOM 1332 N GLY A 90 -4.344 24.842 2.855 1.00 0.00 N ATOM 1333 CA GLY A 90 -4.000 26.251 2.795 1.00 0.00 C ATOM 1334 C GLY A 90 -5.178 27.150 3.116 1.00 0.00 C ATOM 1335 O GLY A 90 -6.016 26.811 3.952 1.00 0.00 O ATOM 0 H GLY A 90 -4.783 24.472 2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.190 26.454 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.627 26.489 1.799 1.00 0.00 H new ATOM 1339 N SER A 91 -5.241 28.299 2.452 1.00 0.00 N ATOM 1340 CA SER A 91 -6.322 29.253 2.676 1.00 0.00 C ATOM 1341 C SER A 91 -6.947 29.685 1.353 1.00 0.00 C ATOM 1342 O SER A 91 -8.154 29.552 1.151 1.00 0.00 O ATOM 1343 CB SER A 91 -5.802 30.477 3.432 1.00 0.00 C ATOM 1344 OG SER A 91 -5.821 30.258 4.832 1.00 0.00 O ATOM 0 H SER A 91 -4.557 28.593 1.755 1.00 0.00 H new ATOM 0 HA SER A 91 -7.088 28.763 3.277 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.785 30.702 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 91 -6.414 31.346 3.188 1.00 0.00 H new ATOM 0 HG SER A 91 -5.482 31.054 5.292 1.00 0.00 H new ATOM 1350 N GLY A 92 -6.116 30.204 0.454 1.00 0.00 N ATOM 1351 CA GLY A 92 -6.605 30.648 -0.838 1.00 0.00 C ATOM 1352 C GLY A 92 -6.650 32.159 -0.952 1.00 0.00 C ATOM 1353 O GLY A 92 -7.035 32.862 -0.018 1.00 0.00 O ATOM 0 H GLY A 92 -5.113 30.325 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.965 30.246 -1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.604 30.244 -1.004 1.00 0.00 H new ATOM 1357 N PRO A 93 -6.248 32.680 -2.121 1.00 0.00 N ATOM 1358 CA PRO A 93 -6.235 34.123 -2.381 1.00 0.00 C ATOM 1359 C PRO A 93 -7.640 34.705 -2.492 1.00 0.00 C ATOM 1360 O PRO A 93 -8.251 34.675 -3.560 1.00 0.00 O ATOM 1361 CB PRO A 93 -5.502 34.235 -3.720 1.00 0.00 C ATOM 1362 CG PRO A 93 -5.722 32.920 -4.384 1.00 0.00 C ATOM 1363 CD PRO A 93 -5.777 31.902 -3.278 1.00 0.00 C ATOM 0 HA PRO A 93 -5.761 34.679 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.899 35.053 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.440 34.432 -3.575 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.648 32.923 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.915 32.695 -5.082 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.458 31.085 -3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.799 31.457 -3.092 1.00 0.00 H new ATOM 1371 N SER A 94 -8.145 35.235 -1.383 1.00 0.00 N ATOM 1372 CA SER A 94 -9.480 35.822 -1.356 1.00 0.00 C ATOM 1373 C SER A 94 -9.765 36.584 -2.647 1.00 0.00 C ATOM 1374 O SER A 94 -9.190 37.644 -2.895 1.00 0.00 O ATOM 1375 CB SER A 94 -9.624 36.759 -0.155 1.00 0.00 C ATOM 1376 OG SER A 94 -9.492 36.049 1.064 1.00 0.00 O ATOM 0 H SER A 94 -7.650 35.270 -0.492 1.00 0.00 H new ATOM 0 HA SER A 94 -10.204 35.012 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.867 37.542 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.595 37.252 -0.189 1.00 0.00 H new ATOM 0 HG SER A 94 -9.586 36.670 1.816 1.00 0.00 H new ATOM 1382 N SER A 95 -10.657 36.036 -3.465 1.00 0.00 N ATOM 1383 CA SER A 95 -11.017 36.660 -4.733 1.00 0.00 C ATOM 1384 C SER A 95 -11.189 38.167 -4.566 1.00 0.00 C ATOM 1385 O SER A 95 -11.287 38.672 -3.449 1.00 0.00 O ATOM 1386 CB SER A 95 -12.306 36.046 -5.281 1.00 0.00 C ATOM 1387 OG SER A 95 -12.325 36.079 -6.697 1.00 0.00 O ATOM 0 H SER A 95 -11.144 35.161 -3.273 1.00 0.00 H new ATOM 0 HA SER A 95 -10.208 36.479 -5.441 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.397 35.016 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.166 36.589 -4.890 1.00 0.00 H new ATOM 0 HG SER A 95 -13.158 35.679 -7.022 1.00 0.00 H new ATOM 1393 N GLY A 96 -11.224 38.880 -5.688 1.00 0.00 N ATOM 1394 CA GLY A 96 -11.384 40.322 -5.646 1.00 0.00 C ATOM 1395 C GLY A 96 -12.573 40.749 -4.809 1.00 0.00 C ATOM 1396 O GLY A 96 -13.210 39.923 -4.157 1.00 0.00 O ATOM 0 H GLY A 96 -11.144 38.485 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.478 40.773 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.503 40.701 -6.661 1.00 0.00 H new TER 1400 GLY A 96