USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 831 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 95 SER OG : rot 180:sc= 0.926 USER MOD Set 1.2: A 98 GLN : amide:sc= 0.546 X(o=1.5,f=1.9) USER MOD Set 2.1: A 59 ASN : amide:sc= 2.23 K(o=3,f=-6.1!) USER MOD Set 2.2: A 62 GLN : amide:sc= 0.769 K(o=3,f=-6.1) USER MOD Set 3.1: A 8 THR OG1 : rot -45:sc= 1.34 USER MOD Set 3.2: A 11 SER OG : rot 11:sc= 3.03 USER MOD Single : A 1 SER N :NH3+ -163:sc= 0.0316 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.371 USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= -0.703 (180deg=-0.763) USER MOD Single : A 6 HIS : no HE2:sc= -0.256 X(o=-0.26,f=-0.23) USER MOD Single : A 14 THR OG1 : rot 61:sc= 0.273 USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0396) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= 0.673 (180deg=0) USER MOD Single : A 37 MET CE :methyl -171:sc=-0.000855 (180deg=-0.109) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.997 K(o=1,f=-0.14) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0331) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= -0.0646 (180deg=-0.0757) USER MOD Single : A 63 ASN : amide:sc= 1.26 K(o=1.3,f=-4.6!) USER MOD Single : A 66 THR OG1 : rot -62:sc= 1.32 USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= 0.377 (180deg=0.32) USER MOD Single : A 70 TYR OH : rot -154:sc= 0.24 USER MOD Single : A 77 THR OG1 : rot 122:sc= 1.24 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.06) USER MOD Single : A 83 ASN : amide:sc= 0.693 K(o=0.69,f=-0.33) USER MOD Single : A 89 THR OG1 : rot 24:sc= 0.528 USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 1.47 (180deg=1.23) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= 1.37 (180deg=0.978) USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= 0.723 (180deg=0.42) USER MOD Single : A 106 ASN : amide:sc= 1.1 K(o=1.1,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.967 -10.173 3.014 1.00 0.00 N ATOM 2 CA SER A 1 8.397 -9.567 1.764 1.00 0.00 C ATOM 3 C SER A 1 7.187 -9.303 0.866 1.00 0.00 C ATOM 4 O SER A 1 6.618 -8.213 0.889 1.00 0.00 O ATOM 5 CB SER A 1 9.437 -10.478 1.098 1.00 0.00 C ATOM 6 OG SER A 1 8.928 -11.795 0.986 1.00 0.00 O ATOM 0 H1 SER A 1 8.725 -10.087 3.720 1.00 0.00 H new ATOM 0 H2 SER A 1 7.115 -9.688 3.360 1.00 0.00 H new ATOM 0 H3 SER A 1 7.753 -11.179 2.857 1.00 0.00 H new ATOM 0 HA SER A 1 8.868 -8.602 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.691 -10.092 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.356 -10.483 1.684 1.00 0.00 H new ATOM 0 HG SER A 1 9.597 -12.369 0.558 1.00 0.00 H new ATOM 12 N ASP A 2 6.789 -10.301 0.073 1.00 0.00 N ATOM 13 CA ASP A 2 5.651 -10.205 -0.832 1.00 0.00 C ATOM 14 C ASP A 2 4.347 -10.252 -0.035 1.00 0.00 C ATOM 15 O ASP A 2 3.597 -11.222 -0.090 1.00 0.00 O ATOM 16 CB ASP A 2 5.722 -11.295 -1.910 1.00 0.00 C ATOM 17 CG ASP A 2 4.570 -11.195 -2.911 1.00 0.00 C ATOM 18 OD1 ASP A 2 4.033 -10.074 -3.069 1.00 0.00 O ATOM 19 OD2 ASP A 2 4.249 -12.241 -3.514 1.00 0.00 O ATOM 0 H ASP A 2 7.256 -11.207 0.044 1.00 0.00 H new ATOM 0 HA ASP A 2 5.681 -9.248 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.670 -11.216 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.703 -12.276 -1.434 1.00 0.00 H new ATOM 24 N LYS A 3 4.078 -9.172 0.695 1.00 0.00 N ATOM 25 CA LYS A 3 2.901 -8.977 1.525 1.00 0.00 C ATOM 26 C LYS A 3 1.993 -8.027 0.752 1.00 0.00 C ATOM 27 O LYS A 3 1.539 -7.011 1.274 1.00 0.00 O ATOM 28 CB LYS A 3 3.346 -8.359 2.855 1.00 0.00 C ATOM 29 CG LYS A 3 4.290 -9.269 3.651 1.00 0.00 C ATOM 30 CD LYS A 3 5.059 -8.495 4.732 1.00 0.00 C ATOM 31 CE LYS A 3 4.147 -7.790 5.745 1.00 0.00 C ATOM 32 NZ LYS A 3 3.685 -6.468 5.277 1.00 0.00 N ATOM 0 H LYS A 3 4.709 -8.371 0.722 1.00 0.00 H new ATOM 0 HA LYS A 3 2.375 -9.906 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.844 -7.409 2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.466 -8.139 3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.715 -10.069 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.998 -9.741 2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.715 -9.184 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.697 -7.753 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.282 -8.421 5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.682 -7.670 6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.217 -5.967 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.500 -5.912 4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.012 -6.593 4.494 1.00 0.00 H new ATOM 46 N ILE A 4 1.805 -8.338 -0.532 1.00 0.00 N ATOM 47 CA ILE A 4 1.097 -7.493 -1.469 1.00 0.00 C ATOM 48 C ILE A 4 -0.258 -8.085 -1.834 1.00 0.00 C ATOM 49 O ILE A 4 -0.379 -9.289 -2.059 1.00 0.00 O ATOM 50 CB ILE A 4 1.984 -7.279 -2.700 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.353 -6.722 -2.266 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.271 -6.323 -3.648 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.170 -6.092 -3.388 1.00 0.00 C ATOM 0 H ILE A 4 2.151 -9.203 -0.948 1.00 0.00 H new ATOM 0 HA ILE A 4 0.890 -6.526 -1.010 1.00 0.00 H new ATOM 0 HB ILE A 4 2.160 -8.224 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.196 -5.976 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.934 -7.530 -1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.888 -6.159 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.316 -6.753 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.098 -5.372 -3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.117 -5.728 -2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.364 -6.837 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.614 -5.259 -3.819 1.00 0.00 H new ATOM 65 N ILE A 5 -1.275 -7.223 -1.910 1.00 0.00 N ATOM 66 CA ILE A 5 -2.629 -7.624 -2.256 1.00 0.00 C ATOM 67 C ILE A 5 -2.825 -7.640 -3.769 1.00 0.00 C ATOM 68 O ILE A 5 -2.852 -6.606 -4.439 1.00 0.00 O ATOM 69 CB ILE A 5 -3.667 -6.741 -1.534 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.379 -6.562 -0.029 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.080 -7.299 -1.746 1.00 0.00 C ATOM 72 CD1 ILE A 5 -3.274 -7.873 0.757 1.00 0.00 C ATOM 0 H ILE A 5 -1.175 -6.224 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.787 -8.645 -1.908 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.593 -5.749 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.447 -6.008 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.169 -5.952 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.802 -6.666 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.308 -7.317 -2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.135 -8.312 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.070 -7.654 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.213 -8.421 0.677 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.464 -8.478 0.349 1.00 0.00 H new ATOM 84 N HIS A 6 -2.979 -8.843 -4.312 1.00 0.00 N ATOM 85 CA HIS A 6 -3.195 -9.066 -5.726 1.00 0.00 C ATOM 86 C HIS A 6 -4.676 -8.864 -6.038 1.00 0.00 C ATOM 87 O HIS A 6 -5.433 -9.819 -6.186 1.00 0.00 O ATOM 88 CB HIS A 6 -2.596 -10.432 -6.081 1.00 0.00 C ATOM 89 CG HIS A 6 -1.100 -10.404 -5.850 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.396 -10.971 -4.798 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.280 -9.484 -6.431 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.838 -10.423 -4.788 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.930 -9.527 -5.781 1.00 0.00 N ATOM 0 H HIS A 6 -2.956 -9.704 -3.765 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.684 -8.348 -6.368 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.054 -11.211 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.809 -10.675 -7.122 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.747 -11.675 -4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.536 -8.836 -7.256 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.626 -10.668 -4.091 1.00 0.00 H new ATOM 102 N LEU A 7 -5.076 -7.590 -6.084 1.00 0.00 N ATOM 103 CA LEU A 7 -6.449 -7.161 -6.282 1.00 0.00 C ATOM 104 C LEU A 7 -7.016 -7.536 -7.645 1.00 0.00 C ATOM 105 O LEU A 7 -6.298 -7.704 -8.631 1.00 0.00 O ATOM 106 CB LEU A 7 -6.525 -5.631 -6.182 1.00 0.00 C ATOM 107 CG LEU A 7 -6.251 -5.047 -4.796 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.152 -3.526 -4.939 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.386 -5.369 -3.821 1.00 0.00 C ATOM 0 H LEU A 7 -4.427 -6.810 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.031 -7.667 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.811 -5.203 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.517 -5.312 -6.502 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.330 -5.479 -4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.956 -3.081 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.339 -3.277 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.090 -3.136 -5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.160 -4.940 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.318 -4.947 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.489 -6.450 -3.727 1.00 0.00 H new ATOM 121 N THR A 8 -8.347 -7.551 -7.676 1.00 0.00 N ATOM 122 CA THR A 8 -9.185 -7.699 -8.846 1.00 0.00 C ATOM 123 C THR A 8 -10.149 -6.509 -8.852 1.00 0.00 C ATOM 124 O THR A 8 -10.381 -5.896 -7.803 1.00 0.00 O ATOM 125 CB THR A 8 -9.974 -9.012 -8.793 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.907 -8.986 -7.726 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.053 -10.226 -8.640 1.00 0.00 C ATOM 0 H THR A 8 -8.898 -7.453 -6.823 1.00 0.00 H new ATOM 0 HA THR A 8 -8.577 -7.723 -9.750 1.00 0.00 H new ATOM 0 HB THR A 8 -10.504 -9.107 -9.740 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.472 -8.637 -6.920 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.653 -11.136 -8.607 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.369 -10.273 -9.488 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.481 -10.135 -7.717 1.00 0.00 H new ATOM 135 N ASP A 9 -10.740 -6.204 -10.009 1.00 0.00 N ATOM 136 CA ASP A 9 -11.722 -5.133 -10.129 1.00 0.00 C ATOM 137 C ASP A 9 -12.849 -5.360 -9.116 1.00 0.00 C ATOM 138 O ASP A 9 -13.253 -4.443 -8.407 1.00 0.00 O ATOM 139 CB ASP A 9 -12.273 -5.086 -11.557 1.00 0.00 C ATOM 140 CG ASP A 9 -13.148 -3.854 -11.755 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.564 -2.782 -12.034 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.381 -3.998 -11.624 1.00 0.00 O ATOM 0 H ASP A 9 -10.550 -6.692 -10.884 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.248 -4.175 -9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.449 -5.072 -12.270 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.853 -5.987 -11.758 1.00 0.00 H new ATOM 147 N ASP A 10 -13.321 -6.606 -9.045 1.00 0.00 N ATOM 148 CA ASP A 10 -14.377 -7.056 -8.149 1.00 0.00 C ATOM 149 C ASP A 10 -14.054 -6.722 -6.693 1.00 0.00 C ATOM 150 O ASP A 10 -14.909 -6.232 -5.963 1.00 0.00 O ATOM 151 CB ASP A 10 -14.579 -8.570 -8.306 1.00 0.00 C ATOM 152 CG ASP A 10 -14.881 -8.968 -9.747 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.921 -8.937 -10.548 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.058 -9.287 -10.021 1.00 0.00 O ATOM 0 H ASP A 10 -12.961 -7.356 -9.635 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.295 -6.533 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.683 -9.091 -7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.398 -8.894 -7.663 1.00 0.00 H new ATOM 159 N SER A 11 -12.821 -6.999 -6.259 1.00 0.00 N ATOM 160 CA SER A 11 -12.417 -6.769 -4.877 1.00 0.00 C ATOM 161 C SER A 11 -12.106 -5.293 -4.607 1.00 0.00 C ATOM 162 O SER A 11 -12.212 -4.838 -3.469 1.00 0.00 O ATOM 163 CB SER A 11 -11.185 -7.630 -4.584 1.00 0.00 C ATOM 164 OG SER A 11 -10.214 -7.476 -5.607 1.00 0.00 O ATOM 0 H SER A 11 -12.085 -7.384 -6.851 1.00 0.00 H new ATOM 0 HA SER A 11 -13.243 -7.044 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.757 -7.346 -3.623 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.477 -8.677 -4.506 1.00 0.00 H new ATOM 0 HG SER A 11 -10.468 -6.729 -6.189 1.00 0.00 H new ATOM 170 N PHE A 12 -11.688 -4.565 -5.647 1.00 0.00 N ATOM 171 CA PHE A 12 -11.272 -3.171 -5.586 1.00 0.00 C ATOM 172 C PHE A 12 -12.098 -2.314 -4.626 1.00 0.00 C ATOM 173 O PHE A 12 -11.545 -1.658 -3.749 1.00 0.00 O ATOM 174 CB PHE A 12 -11.281 -2.569 -6.995 1.00 0.00 C ATOM 175 CG PHE A 12 -10.369 -1.375 -7.136 1.00 0.00 C ATOM 176 CD1 PHE A 12 -10.790 -0.092 -6.737 1.00 0.00 C ATOM 177 CD2 PHE A 12 -9.044 -1.577 -7.560 1.00 0.00 C ATOM 178 CE1 PHE A 12 -9.889 0.985 -6.784 1.00 0.00 C ATOM 179 CE2 PHE A 12 -8.178 -0.484 -7.698 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.600 0.799 -7.312 1.00 0.00 C ATOM 0 H PHE A 12 -11.630 -4.951 -6.589 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.260 -3.166 -5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.982 -3.334 -7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.299 -2.273 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.803 0.064 -6.396 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.693 -2.575 -7.779 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.187 1.955 -6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.186 -0.628 -8.101 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.934 1.642 -7.421 1.00 0.00 H new ATOM 190 N ASP A 13 -13.424 -2.299 -4.787 1.00 0.00 N ATOM 191 CA ASP A 13 -14.290 -1.490 -3.943 1.00 0.00 C ATOM 192 C ASP A 13 -14.112 -1.830 -2.459 1.00 0.00 C ATOM 193 O ASP A 13 -13.916 -0.957 -1.618 1.00 0.00 O ATOM 194 CB ASP A 13 -15.751 -1.616 -4.412 1.00 0.00 C ATOM 195 CG ASP A 13 -16.452 -2.921 -4.020 1.00 0.00 C ATOM 196 OD1 ASP A 13 -15.798 -3.984 -4.102 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.635 -2.825 -3.627 1.00 0.00 O ATOM 0 H ASP A 13 -13.916 -2.841 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.001 -0.444 -4.045 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.320 -0.780 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.777 -1.520 -5.497 1.00 0.00 H new ATOM 202 N THR A 14 -14.179 -3.118 -2.146 1.00 0.00 N ATOM 203 CA THR A 14 -14.109 -3.632 -0.796 1.00 0.00 C ATOM 204 C THR A 14 -12.736 -3.388 -0.180 1.00 0.00 C ATOM 205 O THR A 14 -12.639 -3.055 0.996 1.00 0.00 O ATOM 206 CB THR A 14 -14.493 -5.119 -0.821 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.735 -5.281 -1.485 1.00 0.00 O ATOM 208 CG2 THR A 14 -14.635 -5.694 0.591 1.00 0.00 C ATOM 0 H THR A 14 -14.287 -3.849 -2.849 1.00 0.00 H new ATOM 0 HA THR A 14 -14.815 -3.102 -0.157 1.00 0.00 H new ATOM 0 HB THR A 14 -13.696 -5.649 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.654 -4.970 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.907 -6.748 0.529 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.688 -5.595 1.121 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.411 -5.150 1.129 1.00 0.00 H new ATOM 216 N ASP A 15 -11.672 -3.576 -0.958 1.00 0.00 N ATOM 217 CA ASP A 15 -10.315 -3.429 -0.457 1.00 0.00 C ATOM 218 C ASP A 15 -9.846 -1.975 -0.477 1.00 0.00 C ATOM 219 O ASP A 15 -9.439 -1.436 0.546 1.00 0.00 O ATOM 220 CB ASP A 15 -9.362 -4.298 -1.285 1.00 0.00 C ATOM 221 CG ASP A 15 -9.528 -5.790 -1.003 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.625 -6.315 -1.296 1.00 0.00 O ATOM 223 OD2 ASP A 15 -8.546 -6.386 -0.513 1.00 0.00 O ATOM 0 H ASP A 15 -11.729 -3.832 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.310 -3.757 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.535 -4.111 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.334 -4.005 -1.074 1.00 0.00 H new ATOM 228 N VAL A 16 -9.849 -1.357 -1.658 1.00 0.00 N ATOM 229 CA VAL A 16 -9.293 -0.034 -1.885 1.00 0.00 C ATOM 230 C VAL A 16 -10.234 1.077 -1.433 1.00 0.00 C ATOM 231 O VAL A 16 -9.823 1.986 -0.708 1.00 0.00 O ATOM 232 CB VAL A 16 -8.933 0.131 -3.371 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.171 1.439 -3.594 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.063 -1.027 -3.873 1.00 0.00 C ATOM 0 H VAL A 16 -10.248 -1.776 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.391 0.054 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.871 0.140 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.924 1.540 -4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.792 2.279 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.253 1.430 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.829 -0.876 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.138 -1.063 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.603 -1.966 -3.752 1.00 0.00 H new ATOM 244 N LEU A 17 -11.493 1.048 -1.873 1.00 0.00 N ATOM 245 CA LEU A 17 -12.389 2.143 -1.526 1.00 0.00 C ATOM 246 C LEU A 17 -12.642 2.197 -0.021 1.00 0.00 C ATOM 247 O LEU A 17 -12.752 3.284 0.540 1.00 0.00 O ATOM 248 CB LEU A 17 -13.635 2.196 -2.417 1.00 0.00 C ATOM 249 CG LEU A 17 -13.281 2.294 -3.916 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.567 2.455 -4.728 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.354 3.470 -4.250 1.00 0.00 C ATOM 0 H LEU A 17 -11.900 0.309 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.888 3.083 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.239 1.305 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.245 3.054 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.751 1.375 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.322 2.525 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.213 1.593 -4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.084 3.362 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.147 3.478 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.837 4.405 -3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.419 3.364 -3.700 1.00 0.00 H new ATOM 263 N LYS A 18 -12.656 1.042 0.648 1.00 0.00 N ATOM 264 CA LYS A 18 -12.772 0.979 2.103 1.00 0.00 C ATOM 265 C LYS A 18 -11.390 0.835 2.766 1.00 0.00 C ATOM 266 O LYS A 18 -11.295 0.295 3.868 1.00 0.00 O ATOM 267 CB LYS A 18 -13.719 -0.159 2.510 1.00 0.00 C ATOM 268 CG LYS A 18 -15.050 -0.113 1.747 1.00 0.00 C ATOM 269 CD LYS A 18 -15.975 -1.231 2.245 1.00 0.00 C ATOM 270 CE LYS A 18 -17.249 -1.330 1.399 1.00 0.00 C ATOM 271 NZ LYS A 18 -18.053 -0.096 1.465 1.00 0.00 N ATOM 0 H LYS A 18 -12.588 0.129 0.197 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.199 1.917 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.231 -1.117 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.915 -0.100 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.527 0.857 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.871 -0.226 0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.444 -2.183 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.242 -1.046 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.981 -1.533 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.849 -2.172 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.952 -0.240 0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.245 0.140 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.529 0.684 1.019 1.00 0.00 H new ATOM 285 N ALA A 19 -10.308 1.299 2.120 1.00 0.00 N ATOM 286 CA ALA A 19 -8.956 1.220 2.664 1.00 0.00 C ATOM 287 C ALA A 19 -8.775 2.151 3.865 1.00 0.00 C ATOM 288 O ALA A 19 -8.107 3.179 3.745 1.00 0.00 O ATOM 289 CB ALA A 19 -7.939 1.577 1.576 1.00 0.00 C ATOM 0 H ALA A 19 -10.354 1.740 1.202 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.792 0.198 3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.931 1.517 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.035 0.878 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.126 2.590 1.221 1.00 0.00 H new ATOM 295 N ASP A 20 -9.359 1.801 5.013 1.00 0.00 N ATOM 296 CA ASP A 20 -9.274 2.562 6.253 1.00 0.00 C ATOM 297 C ASP A 20 -7.840 2.529 6.798 1.00 0.00 C ATOM 298 O ASP A 20 -7.538 1.829 7.762 1.00 0.00 O ATOM 299 CB ASP A 20 -10.292 2.012 7.262 1.00 0.00 C ATOM 300 CG ASP A 20 -10.272 2.776 8.585 1.00 0.00 C ATOM 301 OD1 ASP A 20 -9.974 3.990 8.547 1.00 0.00 O ATOM 302 OD2 ASP A 20 -10.574 2.133 9.613 1.00 0.00 O ATOM 0 H ASP A 20 -9.920 0.954 5.104 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.521 3.607 6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.292 2.064 6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.081 0.959 7.450 1.00 0.00 H new ATOM 307 N GLY A 21 -6.955 3.274 6.141 1.00 0.00 N ATOM 308 CA GLY A 21 -5.538 3.380 6.420 1.00 0.00 C ATOM 309 C GLY A 21 -4.895 3.951 5.160 1.00 0.00 C ATOM 310 O GLY A 21 -5.174 5.093 4.800 1.00 0.00 O ATOM 0 H GLY A 21 -7.233 3.855 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.358 4.029 7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.116 2.405 6.664 1.00 0.00 H new ATOM 314 N ALA A 22 -4.073 3.160 4.467 1.00 0.00 N ATOM 315 CA ALA A 22 -3.427 3.576 3.233 1.00 0.00 C ATOM 316 C ALA A 22 -3.081 2.337 2.406 1.00 0.00 C ATOM 317 O ALA A 22 -2.368 1.456 2.892 1.00 0.00 O ATOM 318 CB ALA A 22 -2.179 4.399 3.567 1.00 0.00 C ATOM 0 H ALA A 22 -3.839 2.209 4.753 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.096 4.203 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.692 4.713 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.467 5.279 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.489 3.792 4.153 1.00 0.00 H new ATOM 324 N ILE A 23 -3.584 2.269 1.169 1.00 0.00 N ATOM 325 CA ILE A 23 -3.353 1.182 0.228 1.00 0.00 C ATOM 326 C ILE A 23 -2.685 1.767 -1.020 1.00 0.00 C ATOM 327 O ILE A 23 -3.268 2.618 -1.694 1.00 0.00 O ATOM 328 CB ILE A 23 -4.667 0.428 -0.088 1.00 0.00 C ATOM 329 CG1 ILE A 23 -4.960 -0.616 1.003 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.623 -0.258 -1.461 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.154 -1.533 0.729 1.00 0.00 C ATOM 0 H ILE A 23 -4.185 3.000 0.787 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.688 0.436 0.662 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.466 1.170 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.072 -1.234 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.132 -0.094 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.566 -0.775 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.467 0.491 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.805 -0.978 -1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.274 -2.231 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.058 -0.933 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.981 -2.090 -0.192 1.00 0.00 H new ATOM 343 N LEU A 24 -1.474 1.303 -1.339 1.00 0.00 N ATOM 344 CA LEU A 24 -0.747 1.712 -2.533 1.00 0.00 C ATOM 345 C LEU A 24 -1.036 0.690 -3.629 1.00 0.00 C ATOM 346 O LEU A 24 -0.494 -0.414 -3.593 1.00 0.00 O ATOM 347 CB LEU A 24 0.753 1.807 -2.235 1.00 0.00 C ATOM 348 CG LEU A 24 1.554 2.344 -3.434 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.482 3.868 -3.539 1.00 0.00 C ATOM 350 CD2 LEU A 24 3.010 1.880 -3.348 1.00 0.00 C ATOM 0 H LEU A 24 -0.970 0.626 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.070 2.700 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.910 2.458 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.130 0.822 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 24 1.101 1.938 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.062 4.201 -4.400 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.443 4.176 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.889 4.315 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.566 2.267 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.457 2.252 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.046 0.791 -3.355 1.00 0.00 H new ATOM 362 N VAL A 25 -1.877 1.048 -4.599 1.00 0.00 N ATOM 363 CA VAL A 25 -2.224 0.171 -5.704 1.00 0.00 C ATOM 364 C VAL A 25 -1.247 0.372 -6.856 1.00 0.00 C ATOM 365 O VAL A 25 -1.300 1.394 -7.542 1.00 0.00 O ATOM 366 CB VAL A 25 -3.666 0.399 -6.188 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.026 -0.672 -7.227 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.681 0.334 -5.045 1.00 0.00 C ATOM 0 H VAL A 25 -2.335 1.958 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.157 -0.856 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.711 1.398 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.048 -0.514 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.342 -0.603 -8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.945 -1.660 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.684 0.501 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.635 -0.648 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.448 1.102 -4.307 1.00 0.00 H new ATOM 378 N ASP A 26 -0.396 -0.625 -7.095 1.00 0.00 N ATOM 379 CA ASP A 26 0.491 -0.664 -8.240 1.00 0.00 C ATOM 380 C ASP A 26 -0.260 -1.371 -9.362 1.00 0.00 C ATOM 381 O ASP A 26 -0.619 -2.539 -9.226 1.00 0.00 O ATOM 382 CB ASP A 26 1.786 -1.421 -7.912 1.00 0.00 C ATOM 383 CG ASP A 26 2.546 -1.775 -9.187 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.048 -2.886 -9.336 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.612 -0.837 -10.167 1.00 0.00 O ATOM 0 H ASP A 26 -0.308 -1.437 -6.485 1.00 0.00 H new ATOM 0 HA ASP A 26 0.775 0.347 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.416 -0.810 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.551 -2.331 -7.359 1.00 0.00 H new ATOM 391 N PHE A 27 -0.480 -0.693 -10.480 1.00 0.00 N ATOM 392 CA PHE A 27 -1.109 -1.300 -11.638 1.00 0.00 C ATOM 393 C PHE A 27 0.017 -1.952 -12.437 1.00 0.00 C ATOM 394 O PHE A 27 1.008 -1.285 -12.743 1.00 0.00 O ATOM 395 CB PHE A 27 -1.883 -0.241 -12.424 1.00 0.00 C ATOM 396 CG PHE A 27 -3.164 0.179 -11.725 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.116 0.978 -10.566 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.405 -0.296 -12.188 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.302 1.320 -9.896 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.593 0.078 -11.536 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.544 0.887 -10.390 1.00 0.00 C ATOM 0 H PHE A 27 -0.228 0.287 -10.607 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.846 -2.058 -11.373 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.249 0.634 -12.571 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.123 -0.630 -13.413 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.165 1.328 -10.192 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.445 -0.950 -13.047 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.259 1.918 -8.998 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.546 -0.258 -11.918 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.457 1.175 -9.890 1.00 0.00 H new ATOM 411 N TRP A 28 -0.110 -3.248 -12.733 1.00 0.00 N ATOM 412 CA TRP A 28 0.905 -4.013 -13.443 1.00 0.00 C ATOM 413 C TRP A 28 0.273 -4.943 -14.473 1.00 0.00 C ATOM 414 O TRP A 28 -0.947 -5.049 -14.562 1.00 0.00 O ATOM 415 CB TRP A 28 1.757 -4.812 -12.444 1.00 0.00 C ATOM 416 CG TRP A 28 1.065 -5.959 -11.769 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.198 -5.856 -10.742 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.133 -7.379 -12.086 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.288 -7.108 -10.413 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.252 -8.087 -11.217 1.00 0.00 C ATOM 421 CE3 TRP A 28 1.863 -8.145 -13.014 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.084 -9.480 -11.287 1.00 0.00 C ATOM 423 CZ3 TRP A 28 1.652 -9.529 -13.138 1.00 0.00 C ATOM 424 CH2 TRP A 28 0.753 -10.196 -12.293 1.00 0.00 C ATOM 0 H TRP A 28 -0.932 -3.797 -12.481 1.00 0.00 H new ATOM 0 HA TRP A 28 1.549 -3.315 -13.977 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.632 -5.197 -12.968 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.120 -4.128 -11.677 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.076 -4.934 -10.250 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.962 -7.284 -9.668 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.597 -7.661 -13.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.550 -9.992 -10.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.188 -10.085 -13.893 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.576 -11.254 -12.415 1.00 0.00 H new ATOM 435 N ALA A 29 1.123 -5.633 -15.231 1.00 0.00 N ATOM 436 CA ALA A 29 0.742 -6.610 -16.231 1.00 0.00 C ATOM 437 C ALA A 29 1.872 -7.623 -16.337 1.00 0.00 C ATOM 438 O ALA A 29 3.027 -7.282 -16.093 1.00 0.00 O ATOM 439 CB ALA A 29 0.520 -5.927 -17.577 1.00 0.00 C ATOM 0 H ALA A 29 2.134 -5.517 -15.157 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.188 -7.103 -15.948 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.234 -6.672 -18.320 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.273 -5.186 -17.482 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.440 -5.435 -17.892 1.00 0.00 H new ATOM 445 N GLU A 30 1.553 -8.859 -16.714 1.00 0.00 N ATOM 446 CA GLU A 30 2.521 -9.940 -16.835 1.00 0.00 C ATOM 447 C GLU A 30 3.664 -9.568 -17.784 1.00 0.00 C ATOM 448 O GLU A 30 4.818 -9.908 -17.537 1.00 0.00 O ATOM 449 CB GLU A 30 1.773 -11.213 -17.248 1.00 0.00 C ATOM 450 CG GLU A 30 0.764 -11.638 -16.167 1.00 0.00 C ATOM 451 CD GLU A 30 -0.372 -12.468 -16.755 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.076 -13.587 -17.224 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.514 -11.956 -16.728 1.00 0.00 O ATOM 0 H GLU A 30 0.600 -9.139 -16.947 1.00 0.00 H new ATOM 0 HA GLU A 30 3.005 -10.124 -15.876 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.251 -11.043 -18.190 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.487 -12.018 -17.420 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.276 -12.215 -15.397 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.355 -10.752 -15.682 1.00 0.00 H new ATOM 460 N TRP A 31 3.340 -8.839 -18.853 1.00 0.00 N ATOM 461 CA TRP A 31 4.297 -8.369 -19.845 1.00 0.00 C ATOM 462 C TRP A 31 5.068 -7.121 -19.385 1.00 0.00 C ATOM 463 O TRP A 31 6.036 -6.718 -20.032 1.00 0.00 O ATOM 464 CB TRP A 31 3.538 -8.090 -21.148 1.00 0.00 C ATOM 465 CG TRP A 31 2.361 -7.160 -21.043 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.069 -7.543 -20.920 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.342 -5.698 -21.037 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.256 -6.433 -20.850 1.00 0.00 N ATOM 469 CE2 TRP A 31 0.986 -5.265 -20.919 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.329 -4.690 -21.112 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.630 -3.909 -20.881 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.984 -3.328 -21.055 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.639 -2.934 -20.947 1.00 0.00 C ATOM 0 H TRP A 31 2.381 -8.554 -19.054 1.00 0.00 H new ATOM 0 HA TRP A 31 5.048 -9.144 -19.996 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.240 -7.675 -21.871 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.189 -9.040 -21.552 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.726 -8.566 -20.882 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.759 -6.470 -20.759 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.367 -4.970 -21.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.407 -3.618 -20.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.760 -2.578 -21.095 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.382 -1.885 -20.915 1.00 0.00 H new ATOM 484 N CYS A 32 4.656 -6.478 -18.289 1.00 0.00 N ATOM 485 CA CYS A 32 5.281 -5.242 -17.839 1.00 0.00 C ATOM 486 C CYS A 32 6.590 -5.505 -17.091 1.00 0.00 C ATOM 487 O CYS A 32 6.636 -5.496 -15.861 1.00 0.00 O ATOM 488 CB CYS A 32 4.307 -4.448 -16.977 1.00 0.00 C ATOM 489 SG CYS A 32 4.990 -2.891 -16.375 1.00 0.00 S ATOM 0 H CYS A 32 3.889 -6.799 -17.698 1.00 0.00 H new ATOM 0 HA CYS A 32 5.533 -4.652 -18.720 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.406 -4.242 -17.555 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.006 -5.058 -16.125 1.00 0.00 H new ATOM 494 N GLY A 33 7.670 -5.715 -17.846 1.00 0.00 N ATOM 495 CA GLY A 33 9.014 -5.919 -17.311 1.00 0.00 C ATOM 496 C GLY A 33 9.334 -4.961 -16.152 1.00 0.00 C ATOM 497 O GLY A 33 9.639 -5.419 -15.053 1.00 0.00 O ATOM 0 H GLY A 33 7.632 -5.748 -18.865 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.113 -6.948 -16.966 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.745 -5.778 -18.108 1.00 0.00 H new ATOM 501 N PRO A 34 9.257 -3.634 -16.355 1.00 0.00 N ATOM 502 CA PRO A 34 9.516 -2.657 -15.305 1.00 0.00 C ATOM 503 C PRO A 34 8.656 -2.872 -14.051 1.00 0.00 C ATOM 504 O PRO A 34 9.113 -2.635 -12.935 1.00 0.00 O ATOM 505 CB PRO A 34 9.253 -1.287 -15.941 1.00 0.00 C ATOM 506 CG PRO A 34 9.456 -1.541 -17.435 1.00 0.00 C ATOM 507 CD PRO A 34 8.935 -2.966 -17.605 1.00 0.00 C ATOM 0 HA PRO A 34 10.541 -2.751 -14.946 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.245 -0.933 -15.728 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.943 -0.531 -15.565 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.899 -0.830 -18.046 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.504 -1.456 -17.722 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.861 -2.974 -17.792 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.410 -3.462 -18.452 1.00 0.00 H new ATOM 515 N CYS A 35 7.416 -3.347 -14.212 1.00 0.00 N ATOM 516 CA CYS A 35 6.540 -3.612 -13.075 1.00 0.00 C ATOM 517 C CYS A 35 7.151 -4.739 -12.250 1.00 0.00 C ATOM 518 O CYS A 35 7.215 -4.658 -11.024 1.00 0.00 O ATOM 519 CB CYS A 35 5.108 -3.972 -13.481 1.00 0.00 C ATOM 520 SG CYS A 35 4.168 -2.780 -14.471 1.00 0.00 S ATOM 0 H CYS A 35 7.000 -3.554 -15.120 1.00 0.00 H new ATOM 0 HA CYS A 35 6.464 -2.694 -12.493 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.146 -4.909 -14.037 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.543 -4.165 -12.569 1.00 0.00 H new ATOM 525 N LYS A 36 7.640 -5.782 -12.929 1.00 0.00 N ATOM 526 CA LYS A 36 8.332 -6.873 -12.260 1.00 0.00 C ATOM 527 C LYS A 36 9.576 -6.301 -11.574 1.00 0.00 C ATOM 528 O LYS A 36 9.813 -6.574 -10.402 1.00 0.00 O ATOM 529 CB LYS A 36 8.724 -7.984 -13.245 1.00 0.00 C ATOM 530 CG LYS A 36 7.554 -8.555 -14.059 1.00 0.00 C ATOM 531 CD LYS A 36 6.578 -9.345 -13.181 1.00 0.00 C ATOM 532 CE LYS A 36 5.523 -10.029 -14.054 1.00 0.00 C ATOM 533 NZ LYS A 36 4.674 -10.929 -13.255 1.00 0.00 N ATOM 0 H LYS A 36 7.566 -5.888 -13.941 1.00 0.00 H new ATOM 0 HA LYS A 36 7.665 -7.323 -11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.473 -7.594 -13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.194 -8.796 -12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.022 -7.740 -14.550 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.941 -9.203 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.121 -10.091 -12.601 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.094 -8.677 -12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.903 -9.275 -14.538 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.014 -10.595 -14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.486 -11.798 -13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.162 -11.170 -12.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.774 -10.455 -13.037 1.00 0.00 H new ATOM 547 N MET A 37 10.352 -5.490 -12.301 1.00 0.00 N ATOM 548 CA MET A 37 11.568 -4.864 -11.799 1.00 0.00 C ATOM 549 C MET A 37 11.337 -4.156 -10.459 1.00 0.00 C ATOM 550 O MET A 37 12.183 -4.258 -9.574 1.00 0.00 O ATOM 551 CB MET A 37 12.156 -3.922 -12.858 1.00 0.00 C ATOM 552 CG MET A 37 13.605 -3.529 -12.540 1.00 0.00 C ATOM 553 SD MET A 37 14.351 -2.319 -13.664 1.00 0.00 S ATOM 554 CE MET A 37 14.323 -3.226 -15.227 1.00 0.00 C ATOM 0 H MET A 37 10.144 -5.250 -13.270 1.00 0.00 H new ATOM 0 HA MET A 37 12.299 -5.648 -11.604 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.118 -4.406 -13.834 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.543 -3.023 -12.923 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.640 -3.128 -11.527 1.00 0.00 H new ATOM 0 HG3 MET A 37 14.217 -4.431 -12.547 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.892 -2.676 -15.977 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.767 -4.211 -15.084 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.293 -3.338 -15.564 1.00 0.00 H new ATOM 564 N ILE A 38 10.218 -3.441 -10.294 1.00 0.00 N ATOM 565 CA ILE A 38 9.925 -2.760 -9.031 1.00 0.00 C ATOM 566 C ILE A 38 9.273 -3.679 -7.986 1.00 0.00 C ATOM 567 O ILE A 38 9.139 -3.271 -6.831 1.00 0.00 O ATOM 568 CB ILE A 38 9.119 -1.463 -9.243 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.700 -1.729 -9.769 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.887 -0.511 -10.171 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.813 -0.482 -9.739 1.00 0.00 C ATOM 0 H ILE A 38 9.506 -3.320 -11.015 1.00 0.00 H new ATOM 0 HA ILE A 38 10.892 -2.473 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 38 8.999 -0.988 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.760 -2.102 -10.791 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.237 -2.513 -9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.309 0.402 -10.314 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.850 -0.265 -9.723 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.048 -0.994 -11.135 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.823 -0.730 -10.122 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.726 -0.122 -8.714 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.258 0.296 -10.360 1.00 0.00 H new ATOM 583 N ALA A 39 8.870 -4.908 -8.336 1.00 0.00 N ATOM 584 CA ALA A 39 8.236 -5.813 -7.379 1.00 0.00 C ATOM 585 C ALA A 39 9.055 -5.980 -6.086 1.00 0.00 C ATOM 586 O ALA A 39 8.491 -5.777 -5.015 1.00 0.00 O ATOM 587 CB ALA A 39 7.806 -7.137 -8.023 1.00 0.00 C ATOM 0 H ALA A 39 8.973 -5.294 -9.274 1.00 0.00 H new ATOM 0 HA ALA A 39 7.309 -5.336 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.341 -7.774 -7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.092 -6.938 -8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.680 -7.642 -8.435 1.00 0.00 H new ATOM 593 N PRO A 40 10.363 -6.297 -6.133 1.00 0.00 N ATOM 594 CA PRO A 40 11.190 -6.393 -4.935 1.00 0.00 C ATOM 595 C PRO A 40 11.122 -5.119 -4.084 1.00 0.00 C ATOM 596 O PRO A 40 11.043 -5.189 -2.861 1.00 0.00 O ATOM 597 CB PRO A 40 12.618 -6.650 -5.426 1.00 0.00 C ATOM 598 CG PRO A 40 12.405 -7.304 -6.789 1.00 0.00 C ATOM 599 CD PRO A 40 11.173 -6.568 -7.308 1.00 0.00 C ATOM 0 HA PRO A 40 10.836 -7.196 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.188 -5.725 -5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.166 -7.303 -4.747 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.266 -7.170 -7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.233 -8.377 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.452 -5.644 -7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.627 -7.176 -8.030 1.00 0.00 H new ATOM 607 N ILE A 41 11.134 -3.947 -4.733 1.00 0.00 N ATOM 608 CA ILE A 41 11.049 -2.667 -4.044 1.00 0.00 C ATOM 609 C ILE A 41 9.708 -2.607 -3.310 1.00 0.00 C ATOM 610 O ILE A 41 9.670 -2.358 -2.106 1.00 0.00 O ATOM 611 CB ILE A 41 11.239 -1.490 -5.027 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.554 -1.634 -5.819 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.247 -0.158 -4.268 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.780 -0.486 -6.809 1.00 0.00 C ATOM 0 H ILE A 41 11.203 -3.867 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 41 11.854 -2.577 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 41 10.404 -1.506 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.390 -1.676 -5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.544 -2.579 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.382 0.662 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.300 -0.033 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.065 -0.155 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.721 -0.641 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.961 -0.458 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.820 0.459 -6.267 1.00 0.00 H new ATOM 626 N LEU A 42 8.607 -2.859 -4.024 1.00 0.00 N ATOM 627 CA LEU A 42 7.270 -2.862 -3.441 1.00 0.00 C ATOM 628 C LEU A 42 7.193 -3.849 -2.268 1.00 0.00 C ATOM 629 O LEU A 42 6.626 -3.527 -1.226 1.00 0.00 O ATOM 630 CB LEU A 42 6.219 -3.179 -4.514 1.00 0.00 C ATOM 631 CG LEU A 42 6.078 -2.082 -5.587 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.294 -2.633 -6.781 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.337 -0.852 -5.046 1.00 0.00 C ATOM 0 H LEU A 42 8.622 -3.066 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 42 7.057 -1.868 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.481 -4.119 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.253 -3.329 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 42 7.082 -1.782 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.194 -1.857 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.825 -3.487 -7.202 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.304 -2.948 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.257 -0.101 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.339 -1.143 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.888 -0.437 -4.202 1.00 0.00 H new ATOM 645 N ASP A 43 7.776 -5.042 -2.421 1.00 0.00 N ATOM 646 CA ASP A 43 7.808 -6.063 -1.378 1.00 0.00 C ATOM 647 C ASP A 43 8.513 -5.501 -0.140 1.00 0.00 C ATOM 648 O ASP A 43 7.985 -5.519 0.972 1.00 0.00 O ATOM 649 CB ASP A 43 8.539 -7.322 -1.876 1.00 0.00 C ATOM 650 CG ASP A 43 7.888 -8.016 -3.071 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.655 -7.892 -3.224 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.645 -8.681 -3.811 1.00 0.00 O ATOM 0 H ASP A 43 8.243 -5.325 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 43 6.786 -6.341 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.559 -7.049 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.606 -8.034 -1.054 1.00 0.00 H new ATOM 657 N GLU A 44 9.728 -4.981 -0.340 1.00 0.00 N ATOM 658 CA GLU A 44 10.520 -4.403 0.733 1.00 0.00 C ATOM 659 C GLU A 44 9.725 -3.297 1.434 1.00 0.00 C ATOM 660 O GLU A 44 9.637 -3.279 2.659 1.00 0.00 O ATOM 661 CB GLU A 44 11.859 -3.918 0.166 1.00 0.00 C ATOM 662 CG GLU A 44 12.864 -3.596 1.279 1.00 0.00 C ATOM 663 CD GLU A 44 14.262 -3.354 0.716 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.359 -2.547 -0.233 1.00 0.00 O ATOM 665 OE2 GLU A 44 15.207 -3.974 1.246 1.00 0.00 O ATOM 0 H GLU A 44 10.184 -4.952 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 44 10.742 -5.152 1.493 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.275 -4.683 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.695 -3.030 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.533 -2.713 1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.895 -4.420 1.992 1.00 0.00 H new ATOM 672 N ILE A 45 9.111 -2.398 0.662 1.00 0.00 N ATOM 673 CA ILE A 45 8.264 -1.337 1.194 1.00 0.00 C ATOM 674 C ILE A 45 7.147 -1.944 2.049 1.00 0.00 C ATOM 675 O ILE A 45 6.948 -1.513 3.184 1.00 0.00 O ATOM 676 CB ILE A 45 7.718 -0.474 0.043 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.812 0.414 -0.581 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.498 0.364 0.446 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.292 1.575 0.294 1.00 0.00 C ATOM 0 H ILE A 45 9.190 -2.389 -0.355 1.00 0.00 H new ATOM 0 HA ILE A 45 8.849 -0.682 1.839 1.00 0.00 H new ATOM 0 HB ILE A 45 7.380 -1.179 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.669 -0.213 -0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.435 0.820 -1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.161 0.950 -0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.695 -0.296 0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.770 1.035 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.061 2.137 -0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.452 2.232 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.705 1.183 1.223 1.00 0.00 H new ATOM 691 N ALA A 46 6.425 -2.938 1.522 1.00 0.00 N ATOM 692 CA ALA A 46 5.345 -3.603 2.242 1.00 0.00 C ATOM 693 C ALA A 46 5.837 -4.120 3.595 1.00 0.00 C ATOM 694 O ALA A 46 5.140 -3.998 4.602 1.00 0.00 O ATOM 695 CB ALA A 46 4.754 -4.738 1.399 1.00 0.00 C ATOM 0 H ALA A 46 6.577 -3.302 0.581 1.00 0.00 H new ATOM 0 HA ALA A 46 4.555 -2.876 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.950 -5.222 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.360 -4.332 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.532 -5.468 1.176 1.00 0.00 H new ATOM 701 N ASP A 47 7.042 -4.692 3.627 1.00 0.00 N ATOM 702 CA ASP A 47 7.621 -5.178 4.869 1.00 0.00 C ATOM 703 C ASP A 47 7.966 -4.013 5.807 1.00 0.00 C ATOM 704 O ASP A 47 7.603 -4.028 6.983 1.00 0.00 O ATOM 705 CB ASP A 47 8.847 -6.045 4.573 1.00 0.00 C ATOM 706 CG ASP A 47 9.363 -6.686 5.854 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.830 -7.762 6.200 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.271 -6.085 6.466 1.00 0.00 O ATOM 0 H ASP A 47 7.631 -4.827 2.805 1.00 0.00 H new ATOM 0 HA ASP A 47 6.884 -5.796 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.588 -6.819 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.631 -5.437 4.122 1.00 0.00 H new ATOM 713 N GLU A 48 8.677 -3.005 5.306 1.00 0.00 N ATOM 714 CA GLU A 48 9.102 -1.856 6.094 1.00 0.00 C ATOM 715 C GLU A 48 7.928 -1.100 6.717 1.00 0.00 C ATOM 716 O GLU A 48 7.943 -0.789 7.904 1.00 0.00 O ATOM 717 CB GLU A 48 9.923 -0.911 5.212 1.00 0.00 C ATOM 718 CG GLU A 48 11.316 -1.479 4.911 1.00 0.00 C ATOM 719 CD GLU A 48 12.137 -0.563 4.008 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.586 0.461 3.544 1.00 0.00 O ATOM 721 OE2 GLU A 48 13.318 -0.908 3.790 1.00 0.00 O ATOM 0 H GLU A 48 8.976 -2.965 4.332 1.00 0.00 H new ATOM 0 HA GLU A 48 9.710 -2.231 6.918 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.393 -0.734 4.276 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.023 0.054 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.851 -1.636 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.212 -2.455 4.436 1.00 0.00 H new ATOM 728 N TYR A 49 6.918 -0.781 5.911 1.00 0.00 N ATOM 729 CA TYR A 49 5.766 0.004 6.330 1.00 0.00 C ATOM 730 C TYR A 49 4.654 -0.860 6.939 1.00 0.00 C ATOM 731 O TYR A 49 3.480 -0.498 6.867 1.00 0.00 O ATOM 732 CB TYR A 49 5.265 0.851 5.151 1.00 0.00 C ATOM 733 CG TYR A 49 6.122 2.051 4.789 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.290 1.897 4.019 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.698 3.343 5.158 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.026 3.026 3.617 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.440 4.468 4.764 1.00 0.00 C ATOM 738 CZ TYR A 49 7.600 4.313 3.992 1.00 0.00 C ATOM 739 OH TYR A 49 8.305 5.417 3.621 1.00 0.00 O ATOM 0 H TYR A 49 6.879 -1.067 4.933 1.00 0.00 H new ATOM 0 HA TYR A 49 6.081 0.673 7.130 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.184 0.208 4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.259 1.203 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.622 0.909 3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.800 3.468 5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.918 2.905 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.116 5.456 5.057 1.00 0.00 H new ATOM 0 HH TYR A 49 7.862 6.220 3.968 1.00 0.00 H new ATOM 749 N GLN A 50 5.002 -1.981 7.576 1.00 0.00 N ATOM 750 CA GLN A 50 4.018 -2.825 8.244 1.00 0.00 C ATOM 751 C GLN A 50 3.166 -1.987 9.204 1.00 0.00 C ATOM 752 O GLN A 50 3.694 -1.278 10.058 1.00 0.00 O ATOM 753 CB GLN A 50 4.728 -3.951 9.008 1.00 0.00 C ATOM 754 CG GLN A 50 4.866 -5.200 8.137 1.00 0.00 C ATOM 755 CD GLN A 50 5.739 -6.256 8.804 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.234 -7.237 9.341 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.055 -6.078 8.760 1.00 0.00 N ATOM 0 H GLN A 50 5.961 -2.323 7.641 1.00 0.00 H new ATOM 0 HA GLN A 50 3.363 -3.267 7.493 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.715 -3.614 9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.167 -4.193 9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.878 -5.616 7.938 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.297 -4.927 7.174 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.443 -5.251 8.306 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.677 -6.768 9.180 1.00 0.00 H new ATOM 766 N GLY A 51 1.840 -2.041 9.040 1.00 0.00 N ATOM 767 CA GLY A 51 0.901 -1.291 9.865 1.00 0.00 C ATOM 768 C GLY A 51 0.767 0.178 9.455 1.00 0.00 C ATOM 769 O GLY A 51 -0.188 0.833 9.864 1.00 0.00 O ATOM 0 H GLY A 51 1.390 -2.612 8.325 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.078 -1.766 9.810 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.222 -1.342 10.905 1.00 0.00 H new ATOM 773 N LYS A 52 1.696 0.701 8.647 1.00 0.00 N ATOM 774 CA LYS A 52 1.693 2.080 8.183 1.00 0.00 C ATOM 775 C LYS A 52 1.131 2.168 6.764 1.00 0.00 C ATOM 776 O LYS A 52 0.464 3.145 6.428 1.00 0.00 O ATOM 777 CB LYS A 52 3.120 2.644 8.225 1.00 0.00 C ATOM 778 CG LYS A 52 3.710 2.616 9.642 1.00 0.00 C ATOM 779 CD LYS A 52 5.163 3.111 9.674 1.00 0.00 C ATOM 780 CE LYS A 52 5.354 4.543 9.151 1.00 0.00 C ATOM 781 NZ LYS A 52 4.493 5.510 9.855 1.00 0.00 N ATOM 0 H LYS A 52 2.485 0.160 8.294 1.00 0.00 H new ATOM 0 HA LYS A 52 1.055 2.671 8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.758 2.066 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.115 3.669 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.102 3.237 10.300 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.665 1.599 10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.530 3.059 10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.778 2.435 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.398 4.835 9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.133 4.571 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.703 6.471 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.495 5.287 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.673 5.455 10.878 1.00 0.00 H new ATOM 795 N LEU A 53 1.417 1.170 5.918 1.00 0.00 N ATOM 796 CA LEU A 53 0.986 1.155 4.531 1.00 0.00 C ATOM 797 C LEU A 53 0.710 -0.278 4.101 1.00 0.00 C ATOM 798 O LEU A 53 1.458 -1.184 4.460 1.00 0.00 O ATOM 799 CB LEU A 53 2.123 1.719 3.666 1.00 0.00 C ATOM 800 CG LEU A 53 1.806 1.861 2.171 1.00 0.00 C ATOM 801 CD1 LEU A 53 0.883 3.053 1.918 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.123 2.057 1.419 1.00 0.00 C ATOM 0 H LEU A 53 1.958 0.349 6.187 1.00 0.00 H new ATOM 0 HA LEU A 53 0.081 1.752 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.401 2.698 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.994 1.073 3.775 1.00 0.00 H new ATOM 0 HG LEU A 53 1.295 0.963 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.674 3.131 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.051 2.912 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.367 3.967 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.921 2.160 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.620 2.956 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.768 1.194 1.584 1.00 0.00 H new ATOM 814 N THR A 54 -0.327 -0.469 3.288 1.00 0.00 N ATOM 815 CA THR A 54 -0.643 -1.739 2.666 1.00 0.00 C ATOM 816 C THR A 54 -0.301 -1.563 1.186 1.00 0.00 C ATOM 817 O THR A 54 -0.550 -0.498 0.624 1.00 0.00 O ATOM 818 CB THR A 54 -2.118 -2.050 2.929 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.292 -2.255 4.314 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.605 -3.297 2.182 1.00 0.00 C ATOM 0 H THR A 54 -0.981 0.275 3.043 1.00 0.00 H new ATOM 0 HA THR A 54 -0.082 -2.586 3.060 1.00 0.00 H new ATOM 0 HB THR A 54 -2.703 -1.204 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.233 -2.454 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.658 -3.468 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.483 -3.149 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.021 -4.162 2.498 1.00 0.00 H new ATOM 828 N VAL A 55 0.288 -2.574 0.547 1.00 0.00 N ATOM 829 CA VAL A 55 0.659 -2.503 -0.859 1.00 0.00 C ATOM 830 C VAL A 55 -0.233 -3.472 -1.627 1.00 0.00 C ATOM 831 O VAL A 55 -0.558 -4.551 -1.131 1.00 0.00 O ATOM 832 CB VAL A 55 2.154 -2.818 -1.036 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.592 -2.584 -2.487 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.024 -1.925 -0.141 1.00 0.00 C ATOM 0 H VAL A 55 0.519 -3.462 0.992 1.00 0.00 H new ATOM 0 HA VAL A 55 0.510 -1.497 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 55 2.287 -3.864 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.653 -2.813 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.016 -3.230 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.419 -1.542 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.075 -2.174 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.858 -0.879 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.758 -2.087 0.903 1.00 0.00 H new ATOM 844 N ALA A 56 -0.629 -3.095 -2.839 1.00 0.00 N ATOM 845 CA ALA A 56 -1.451 -3.908 -3.710 1.00 0.00 C ATOM 846 C ALA A 56 -0.846 -3.886 -5.110 1.00 0.00 C ATOM 847 O ALA A 56 -0.190 -2.916 -5.484 1.00 0.00 O ATOM 848 CB ALA A 56 -2.890 -3.398 -3.689 1.00 0.00 C ATOM 0 H ALA A 56 -0.378 -2.194 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.476 -4.942 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.504 -4.014 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.280 -3.452 -2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.915 -2.364 -4.033 1.00 0.00 H new ATOM 854 N LYS A 57 -1.051 -4.959 -5.872 1.00 0.00 N ATOM 855 CA LYS A 57 -0.546 -5.121 -7.227 1.00 0.00 C ATOM 856 C LYS A 57 -1.698 -5.632 -8.088 1.00 0.00 C ATOM 857 O LYS A 57 -1.992 -6.824 -8.075 1.00 0.00 O ATOM 858 CB LYS A 57 0.659 -6.076 -7.224 1.00 0.00 C ATOM 859 CG LYS A 57 1.968 -5.321 -6.974 1.00 0.00 C ATOM 860 CD LYS A 57 3.146 -6.295 -6.806 1.00 0.00 C ATOM 861 CE LYS A 57 3.818 -6.695 -8.122 1.00 0.00 C ATOM 862 NZ LYS A 57 4.440 -5.548 -8.816 1.00 0.00 N ATOM 0 H LYS A 57 -1.590 -5.763 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.190 -4.177 -7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.522 -6.835 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.715 -6.598 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.166 -4.646 -7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.871 -4.705 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.891 -5.839 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.791 -7.195 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.579 -7.450 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.078 -7.154 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.791 -5.854 -9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.734 -4.795 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.233 -5.187 -8.248 1.00 0.00 H new ATOM 876 N LEU A 58 -2.328 -4.763 -8.879 1.00 0.00 N ATOM 877 CA LEU A 58 -3.477 -5.143 -9.692 1.00 0.00 C ATOM 878 C LEU A 58 -3.051 -5.439 -11.127 1.00 0.00 C ATOM 879 O LEU A 58 -2.448 -4.596 -11.790 1.00 0.00 O ATOM 880 CB LEU A 58 -4.525 -4.029 -9.624 1.00 0.00 C ATOM 881 CG LEU A 58 -5.811 -4.400 -10.384 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.007 -3.815 -9.636 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.809 -3.819 -11.802 1.00 0.00 C ATOM 0 H LEU A 58 -2.057 -3.784 -8.972 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.919 -6.060 -9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.767 -3.822 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.108 -3.113 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.869 -5.487 -10.447 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.926 -4.070 -10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.042 -4.226 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.908 -2.731 -9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.731 -4.099 -12.311 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.739 -2.732 -11.750 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.955 -4.211 -12.355 1.00 0.00 H new ATOM 895 N ASN A 59 -3.366 -6.652 -11.594 1.00 0.00 N ATOM 896 CA ASN A 59 -3.036 -7.099 -12.937 1.00 0.00 C ATOM 897 C ASN A 59 -4.076 -6.587 -13.930 1.00 0.00 C ATOM 898 O ASN A 59 -5.204 -7.090 -13.954 1.00 0.00 O ATOM 899 CB ASN A 59 -2.962 -8.629 -13.005 1.00 0.00 C ATOM 900 CG ASN A 59 -2.475 -9.098 -14.375 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.263 -8.303 -15.286 1.00 0.00 O ATOM 902 ND2 ASN A 59 -2.322 -10.403 -14.552 1.00 0.00 N ATOM 0 H ASN A 59 -3.861 -7.351 -11.040 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.058 -6.695 -13.198 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.289 -8.998 -12.231 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.945 -9.053 -12.801 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.023 -10.763 -15.458 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.503 -11.047 -13.782 1.00 0.00 H new ATOM 909 N ILE A 60 -3.700 -5.620 -14.768 1.00 0.00 N ATOM 910 CA ILE A 60 -4.597 -5.078 -15.779 1.00 0.00 C ATOM 911 C ILE A 60 -4.937 -6.118 -16.853 1.00 0.00 C ATOM 912 O ILE A 60 -5.983 -6.010 -17.478 1.00 0.00 O ATOM 913 CB ILE A 60 -4.059 -3.776 -16.396 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.719 -3.972 -17.123 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.943 -2.692 -15.316 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.548 -3.009 -18.299 1.00 0.00 C ATOM 0 H ILE A 60 -2.772 -5.196 -14.763 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.527 -4.823 -15.270 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.775 -3.455 -17.153 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.901 -3.828 -16.417 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.651 -4.998 -17.484 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.561 -1.774 -15.762 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.925 -2.504 -14.882 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.260 -3.028 -14.536 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.586 -3.188 -18.779 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.349 -3.170 -19.021 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.587 -1.982 -17.937 1.00 0.00 H new ATOM 928 N ASP A 61 -4.094 -7.137 -17.065 1.00 0.00 N ATOM 929 CA ASP A 61 -4.398 -8.172 -18.053 1.00 0.00 C ATOM 930 C ASP A 61 -5.678 -8.885 -17.628 1.00 0.00 C ATOM 931 O ASP A 61 -6.584 -9.101 -18.429 1.00 0.00 O ATOM 932 CB ASP A 61 -3.255 -9.189 -18.184 1.00 0.00 C ATOM 933 CG ASP A 61 -1.926 -8.573 -18.610 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.950 -7.699 -19.505 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.896 -9.000 -18.040 1.00 0.00 O ATOM 0 H ASP A 61 -3.210 -7.264 -16.572 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.525 -7.699 -19.027 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.120 -9.695 -17.228 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.541 -9.951 -18.910 1.00 0.00 H new ATOM 940 N GLN A 62 -5.745 -9.235 -16.343 1.00 0.00 N ATOM 941 CA GLN A 62 -6.898 -9.890 -15.750 1.00 0.00 C ATOM 942 C GLN A 62 -8.029 -8.884 -15.521 1.00 0.00 C ATOM 943 O GLN A 62 -9.196 -9.256 -15.574 1.00 0.00 O ATOM 944 CB GLN A 62 -6.490 -10.546 -14.425 1.00 0.00 C ATOM 945 CG GLN A 62 -5.532 -11.724 -14.629 1.00 0.00 C ATOM 946 CD GLN A 62 -5.011 -12.238 -13.290 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.853 -12.025 -12.939 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.862 -12.905 -12.518 1.00 0.00 N ATOM 0 H GLN A 62 -4.987 -9.067 -15.681 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.260 -10.658 -16.433 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.016 -9.802 -13.785 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.382 -10.893 -13.904 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.044 -12.528 -15.158 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.695 -11.414 -15.255 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.818 -13.068 -12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.559 -13.255 -11.609 1.00 0.00 H new ATOM 957 N ASN A 63 -7.685 -7.625 -15.226 1.00 0.00 N ATOM 958 CA ASN A 63 -8.652 -6.580 -14.887 1.00 0.00 C ATOM 959 C ASN A 63 -8.459 -5.310 -15.726 1.00 0.00 C ATOM 960 O ASN A 63 -8.038 -4.290 -15.181 1.00 0.00 O ATOM 961 CB ASN A 63 -8.492 -6.241 -13.397 1.00 0.00 C ATOM 962 CG ASN A 63 -8.513 -7.457 -12.486 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.561 -7.841 -11.974 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.344 -8.054 -12.257 1.00 0.00 N ATOM 0 H ASN A 63 -6.718 -7.302 -15.216 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.652 -6.956 -15.102 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.552 -5.708 -13.254 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.292 -5.562 -13.100 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.297 -8.862 -11.636 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.496 -7.703 -12.703 1.00 0.00 H new ATOM 971 N PRO A 64 -8.763 -5.322 -17.035 1.00 0.00 N ATOM 972 CA PRO A 64 -8.577 -4.160 -17.892 1.00 0.00 C ATOM 973 C PRO A 64 -9.263 -2.902 -17.349 1.00 0.00 C ATOM 974 O PRO A 64 -8.604 -1.894 -17.110 1.00 0.00 O ATOM 975 CB PRO A 64 -9.109 -4.565 -19.274 1.00 0.00 C ATOM 976 CG PRO A 64 -8.970 -6.086 -19.267 1.00 0.00 C ATOM 977 CD PRO A 64 -9.251 -6.451 -17.811 1.00 0.00 C ATOM 0 HA PRO A 64 -7.524 -3.885 -17.941 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.145 -4.256 -19.414 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.530 -4.111 -20.078 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.680 -6.559 -19.946 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.974 -6.401 -19.577 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.316 -6.613 -17.644 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.740 -7.372 -17.530 1.00 0.00 H new ATOM 985 N GLY A 65 -10.588 -2.974 -17.173 1.00 0.00 N ATOM 986 CA GLY A 65 -11.463 -1.890 -16.736 1.00 0.00 C ATOM 987 C GLY A 65 -10.887 -0.984 -15.648 1.00 0.00 C ATOM 988 O GLY A 65 -11.048 0.238 -15.709 1.00 0.00 O ATOM 0 H GLY A 65 -11.102 -3.839 -17.342 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.714 -1.277 -17.601 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.395 -2.322 -16.370 1.00 0.00 H new ATOM 992 N THR A 66 -10.226 -1.559 -14.644 1.00 0.00 N ATOM 993 CA THR A 66 -9.679 -0.789 -13.544 1.00 0.00 C ATOM 994 C THR A 66 -8.674 0.274 -14.003 1.00 0.00 C ATOM 995 O THR A 66 -8.555 1.306 -13.350 1.00 0.00 O ATOM 996 CB THR A 66 -9.124 -1.741 -12.481 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.861 -2.950 -12.500 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.254 -1.119 -11.087 1.00 0.00 C ATOM 0 H THR A 66 -10.059 -2.563 -14.576 1.00 0.00 H new ATOM 0 HA THR A 66 -10.483 -0.212 -13.087 1.00 0.00 H new ATOM 0 HB THR A 66 -8.073 -1.930 -12.701 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.797 -2.766 -12.273 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.855 -1.808 -10.343 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.695 -0.184 -11.052 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.304 -0.922 -10.873 1.00 0.00 H new ATOM 1006 N ALA A 67 -7.975 0.065 -15.126 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.056 1.080 -15.630 1.00 0.00 C ATOM 1008 C ALA A 67 -7.843 2.293 -16.162 1.00 0.00 C ATOM 1009 O ALA A 67 -7.738 3.367 -15.559 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.008 0.488 -16.579 1.00 0.00 C ATOM 0 H ALA A 67 -8.029 -0.783 -15.690 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.451 1.470 -14.811 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.346 1.280 -16.929 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.424 -0.266 -16.051 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.508 0.029 -17.432 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.648 2.172 -17.238 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.491 3.254 -17.731 1.00 0.00 C ATOM 1018 C PRO A 68 -10.289 3.948 -16.625 1.00 0.00 C ATOM 1019 O PRO A 68 -10.400 5.172 -16.652 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.423 2.628 -18.771 1.00 0.00 C ATOM 1021 CG PRO A 68 -9.570 1.495 -19.328 1.00 0.00 C ATOM 1022 CD PRO A 68 -8.839 1.003 -18.082 1.00 0.00 C ATOM 0 HA PRO A 68 -8.869 4.040 -18.160 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.345 2.260 -18.322 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.708 3.341 -19.544 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.178 0.711 -19.780 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.879 1.844 -20.095 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.421 0.240 -17.565 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.882 0.551 -18.344 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.833 3.201 -15.649 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.573 3.796 -14.535 1.00 0.00 C ATOM 1032 C LYS A 69 -10.803 4.950 -13.876 1.00 0.00 C ATOM 1033 O LYS A 69 -11.412 5.951 -13.509 1.00 0.00 O ATOM 1034 CB LYS A 69 -11.927 2.733 -13.486 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.177 1.937 -13.882 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.508 0.896 -12.804 1.00 0.00 C ATOM 1037 CE LYS A 69 -14.715 0.047 -13.216 1.00 0.00 C ATOM 1038 NZ LYS A 69 -15.010 -0.982 -12.204 1.00 0.00 N ATOM 0 H LYS A 69 -10.771 2.183 -15.614 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.492 4.208 -14.951 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.086 2.051 -13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.093 3.214 -12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.021 2.614 -14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.013 1.441 -14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.645 0.252 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.717 1.398 -11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.586 0.689 -13.351 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.518 -0.429 -14.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.665 -1.684 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.127 -1.453 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.447 -0.536 -11.372 1.00 0.00 H new ATOM 1052 N TYR A 70 -9.478 4.823 -13.746 1.00 0.00 N ATOM 1053 CA TYR A 70 -8.623 5.864 -13.180 1.00 0.00 C ATOM 1054 C TYR A 70 -7.718 6.470 -14.262 1.00 0.00 C ATOM 1055 O TYR A 70 -6.644 6.986 -13.958 1.00 0.00 O ATOM 1056 CB TYR A 70 -7.834 5.298 -11.993 1.00 0.00 C ATOM 1057 CG TYR A 70 -8.704 4.876 -10.825 1.00 0.00 C ATOM 1058 CD1 TYR A 70 -9.144 5.833 -9.892 1.00 0.00 C ATOM 1059 CD2 TYR A 70 -9.125 3.540 -10.703 1.00 0.00 C ATOM 1060 CE1 TYR A 70 -10.029 5.463 -8.864 1.00 0.00 C ATOM 1061 CE2 TYR A 70 -10.030 3.173 -9.692 1.00 0.00 C ATOM 1062 CZ TYR A 70 -10.499 4.140 -8.789 1.00 0.00 C ATOM 1063 OH TYR A 70 -11.390 3.791 -7.820 1.00 0.00 O ATOM 0 H TYR A 70 -8.968 3.988 -14.034 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.239 6.680 -12.802 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.254 4.439 -12.331 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -7.122 6.049 -11.651 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.801 6.854 -9.966 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.752 2.793 -11.388 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.347 6.193 -8.134 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.364 2.149 -9.610 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.302 2.835 -7.624 1.00 0.00 H new ATOM 1073 N GLY A 71 -8.152 6.420 -15.526 1.00 0.00 N ATOM 1074 CA GLY A 71 -7.441 6.956 -16.678 1.00 0.00 C ATOM 1075 C GLY A 71 -5.976 6.521 -16.742 1.00 0.00 C ATOM 1076 O GLY A 71 -5.117 7.310 -17.136 1.00 0.00 O ATOM 0 H GLY A 71 -9.041 5.988 -15.778 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.947 6.637 -17.589 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.489 8.045 -16.651 1.00 0.00 H new ATOM 1080 N ILE A 72 -5.679 5.274 -16.365 1.00 0.00 N ATOM 1081 CA ILE A 72 -4.315 4.763 -16.363 1.00 0.00 C ATOM 1082 C ILE A 72 -3.918 4.391 -17.793 1.00 0.00 C ATOM 1083 O ILE A 72 -4.298 3.341 -18.304 1.00 0.00 O ATOM 1084 CB ILE A 72 -4.182 3.609 -15.355 1.00 0.00 C ATOM 1085 CG1 ILE A 72 -4.532 4.155 -13.961 1.00 0.00 C ATOM 1086 CG2 ILE A 72 -2.767 3.014 -15.374 1.00 0.00 C ATOM 1087 CD1 ILE A 72 -4.392 3.125 -12.845 1.00 0.00 C ATOM 0 H ILE A 72 -6.377 4.598 -16.055 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.613 5.527 -16.029 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.865 2.803 -15.623 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.887 5.005 -13.741 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.556 4.527 -13.973 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.705 2.201 -14.651 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.547 2.631 -16.371 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.044 3.787 -15.114 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.656 3.583 -11.892 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.058 2.284 -13.040 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.362 2.770 -12.804 1.00 0.00 H new ATOM 1099 N ARG A 73 -3.173 5.288 -18.443 1.00 0.00 N ATOM 1100 CA ARG A 73 -2.738 5.162 -19.829 1.00 0.00 C ATOM 1101 C ARG A 73 -1.525 4.238 -19.992 1.00 0.00 C ATOM 1102 O ARG A 73 -1.263 3.774 -21.098 1.00 0.00 O ATOM 1103 CB ARG A 73 -2.405 6.561 -20.364 1.00 0.00 C ATOM 1104 CG ARG A 73 -3.638 7.478 -20.331 1.00 0.00 C ATOM 1105 CD ARG A 73 -3.299 8.963 -20.514 1.00 0.00 C ATOM 1106 NE ARG A 73 -2.178 9.422 -19.678 1.00 0.00 N ATOM 1107 CZ ARG A 73 -2.170 9.592 -18.346 1.00 0.00 C ATOM 1108 NH1 ARG A 73 -3.193 9.213 -17.571 1.00 0.00 N ATOM 1109 NH2 ARG A 73 -1.099 10.156 -17.778 1.00 0.00 N ATOM 0 H ARG A 73 -2.847 6.148 -18.002 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.551 4.709 -20.397 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.606 7.001 -19.767 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.034 6.483 -21.386 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.330 7.172 -21.115 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.155 7.346 -19.380 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.058 9.145 -21.561 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.181 9.559 -20.282 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.308 9.635 -20.166 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.016 8.778 -17.989 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.150 9.359 -16.562 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.310 10.447 -18.355 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.071 10.295 -16.768 1.00 0.00 H new ATOM 1123 N GLY A 74 -0.775 3.978 -18.918 1.00 0.00 N ATOM 1124 CA GLY A 74 0.411 3.134 -18.959 1.00 0.00 C ATOM 1125 C GLY A 74 0.709 2.595 -17.565 1.00 0.00 C ATOM 1126 O GLY A 74 0.045 2.981 -16.603 1.00 0.00 O ATOM 0 H GLY A 74 -0.979 4.352 -17.991 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.257 2.308 -19.653 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.263 3.705 -19.328 1.00 0.00 H new ATOM 1130 N ILE A 75 1.702 1.709 -17.460 1.00 0.00 N ATOM 1131 CA ILE A 75 2.129 1.058 -16.226 1.00 0.00 C ATOM 1132 C ILE A 75 3.659 0.912 -16.267 1.00 0.00 C ATOM 1133 O ILE A 75 4.215 0.924 -17.367 1.00 0.00 O ATOM 1134 CB ILE A 75 1.426 -0.309 -16.097 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.558 -1.138 -17.388 1.00 0.00 C ATOM 1136 CG2 ILE A 75 -0.048 -0.118 -15.710 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.085 -2.577 -17.193 1.00 0.00 C ATOM 0 H ILE A 75 2.251 1.416 -18.268 1.00 0.00 H new ATOM 0 HA ILE A 75 1.856 1.650 -15.353 1.00 0.00 H new ATOM 0 HB ILE A 75 1.921 -0.868 -15.303 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.976 -0.669 -18.181 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.598 -1.139 -17.714 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.530 -1.092 -15.623 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.109 0.404 -14.755 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.552 0.469 -16.477 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.195 -3.126 -18.128 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.684 -3.055 -16.418 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.037 -2.578 -16.893 1.00 0.00 H new ATOM 1149 N PRO A 76 4.364 0.774 -15.128 1.00 0.00 N ATOM 1150 CA PRO A 76 3.847 0.754 -13.767 1.00 0.00 C ATOM 1151 C PRO A 76 3.316 2.128 -13.377 1.00 0.00 C ATOM 1152 O PRO A 76 3.892 3.145 -13.755 1.00 0.00 O ATOM 1153 CB PRO A 76 5.029 0.369 -12.870 1.00 0.00 C ATOM 1154 CG PRO A 76 6.246 0.833 -13.668 1.00 0.00 C ATOM 1155 CD PRO A 76 5.810 0.636 -15.119 1.00 0.00 C ATOM 0 HA PRO A 76 3.022 0.049 -13.668 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.974 0.862 -11.899 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.057 -0.704 -12.682 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.491 1.874 -13.459 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.132 0.244 -13.430 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.276 1.376 -15.770 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.110 -0.345 -15.486 1.00 0.00 H new ATOM 1163 N THR A 77 2.218 2.141 -12.624 1.00 0.00 N ATOM 1164 CA THR A 77 1.578 3.351 -12.142 1.00 0.00 C ATOM 1165 C THR A 77 1.080 3.026 -10.737 1.00 0.00 C ATOM 1166 O THR A 77 0.422 2.002 -10.546 1.00 0.00 O ATOM 1167 CB THR A 77 0.471 3.777 -13.116 1.00 0.00 C ATOM 1168 OG1 THR A 77 1.065 4.145 -14.343 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.305 4.983 -12.593 1.00 0.00 C ATOM 0 H THR A 77 1.742 1.289 -12.328 1.00 0.00 H new ATOM 0 HA THR A 77 2.252 4.206 -12.091 1.00 0.00 H new ATOM 0 HB THR A 77 -0.216 2.939 -13.233 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.701 3.588 -15.063 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.080 5.255 -13.309 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.766 4.733 -11.637 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.376 5.823 -12.458 1.00 0.00 H new ATOM 1177 N LEU A 78 1.443 3.864 -9.764 1.00 0.00 N ATOM 1178 CA LEU A 78 1.168 3.683 -8.351 1.00 0.00 C ATOM 1179 C LEU A 78 0.113 4.693 -7.911 1.00 0.00 C ATOM 1180 O LEU A 78 0.370 5.891 -7.998 1.00 0.00 O ATOM 1181 CB LEU A 78 2.465 3.915 -7.552 1.00 0.00 C ATOM 1182 CG LEU A 78 3.710 3.189 -8.091 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.917 3.525 -7.211 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.514 1.674 -8.105 1.00 0.00 C ATOM 0 H LEU A 78 1.959 4.723 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 78 0.802 2.672 -8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.671 4.985 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.299 3.600 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 78 3.877 3.525 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.799 3.011 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.089 4.601 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.723 3.202 -6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.413 1.194 -8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.323 1.323 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.666 1.423 -8.742 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.048 4.237 -7.436 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.109 5.099 -6.918 1.00 0.00 C ATOM 1198 C LEU A 79 -2.178 4.865 -5.411 1.00 0.00 C ATOM 1199 O LEU A 79 -2.459 3.744 -4.985 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.469 4.756 -7.542 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.754 5.396 -8.906 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.772 4.946 -9.984 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.189 5.079 -9.339 1.00 0.00 C ATOM 0 H LEU A 79 -1.279 3.244 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.888 6.138 -7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.537 3.673 -7.648 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.253 5.058 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.628 6.472 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.021 5.430 -10.928 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.759 5.222 -9.691 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.834 3.864 -10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.386 5.536 -10.309 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.316 3.999 -9.415 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.887 5.476 -8.602 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.933 5.897 -4.602 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.991 5.787 -3.153 1.00 0.00 C ATOM 1217 C LEU A 80 -3.389 6.189 -2.688 1.00 0.00 C ATOM 1218 O LEU A 80 -3.731 7.369 -2.728 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.873 6.636 -2.544 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.885 6.665 -1.010 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.771 5.266 -0.398 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.289 7.523 -0.534 1.00 0.00 C ATOM 0 H LEU A 80 -1.690 6.829 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.825 4.764 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.089 6.252 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.959 7.656 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.838 7.082 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.784 5.342 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.610 4.655 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.163 4.804 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.297 7.556 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.224 7.091 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.183 8.534 -0.927 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.192 5.212 -2.262 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.565 5.401 -1.816 1.00 0.00 C ATOM 1236 C PHE A 81 -5.666 5.377 -0.292 1.00 0.00 C ATOM 1237 O PHE A 81 -5.262 4.400 0.337 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.437 4.260 -2.359 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.791 4.350 -3.832 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.933 3.780 -4.789 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.057 4.825 -4.228 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.352 3.655 -6.123 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.460 4.733 -5.571 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.596 4.171 -6.524 1.00 0.00 C ATOM 0 H PHE A 81 -3.891 4.238 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.902 6.370 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.919 3.317 -2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.362 4.227 -1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.951 3.438 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.720 5.262 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.717 3.161 -6.843 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.433 5.094 -5.870 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.887 4.135 -7.563 1.00 0.00 H new ATOM 1254 N LYS A 82 -6.276 6.415 0.285 1.00 0.00 N ATOM 1255 CA LYS A 82 -6.617 6.509 1.695 1.00 0.00 C ATOM 1256 C LYS A 82 -8.143 6.424 1.737 1.00 0.00 C ATOM 1257 O LYS A 82 -8.819 7.394 1.412 1.00 0.00 O ATOM 1258 CB LYS A 82 -6.121 7.838 2.275 1.00 0.00 C ATOM 1259 CG LYS A 82 -4.590 7.908 2.329 1.00 0.00 C ATOM 1260 CD LYS A 82 -4.183 9.227 2.995 1.00 0.00 C ATOM 1261 CE LYS A 82 -2.661 9.386 3.059 1.00 0.00 C ATOM 1262 NZ LYS A 82 -2.298 10.647 3.729 1.00 0.00 N ATOM 0 H LYS A 82 -6.554 7.242 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.153 5.722 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.500 8.661 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.525 7.968 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.192 7.063 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.173 7.848 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.613 10.062 2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.595 9.268 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.224 8.544 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.246 9.371 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.289 10.846 3.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.869 11.424 3.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.479 10.562 4.750 1.00 0.00 H new ATOM 1276 N ASN A 83 -8.694 5.260 2.092 1.00 0.00 N ATOM 1277 CA ASN A 83 -10.130 4.996 2.131 1.00 0.00 C ATOM 1278 C ASN A 83 -10.848 5.583 0.910 1.00 0.00 C ATOM 1279 O ASN A 83 -11.749 6.412 1.032 1.00 0.00 O ATOM 1280 CB ASN A 83 -10.721 5.454 3.469 1.00 0.00 C ATOM 1281 CG ASN A 83 -12.061 4.778 3.746 1.00 0.00 C ATOM 1282 OD1 ASN A 83 -12.148 3.883 4.581 1.00 0.00 O ATOM 1283 ND2 ASN A 83 -13.111 5.176 3.039 1.00 0.00 N ATOM 0 H ASN A 83 -8.134 4.453 2.368 1.00 0.00 H new ATOM 0 HA ASN A 83 -10.291 3.920 2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -10.023 5.225 4.274 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.853 6.536 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.020 4.735 3.183 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -13.010 5.923 2.351 1.00 0.00 H new ATOM 1290 N GLY A 84 -10.416 5.167 -0.283 1.00 0.00 N ATOM 1291 CA GLY A 84 -10.987 5.618 -1.542 1.00 0.00 C ATOM 1292 C GLY A 84 -10.453 6.968 -2.013 1.00 0.00 C ATOM 1293 O GLY A 84 -10.473 7.241 -3.212 1.00 0.00 O ATOM 0 H GLY A 84 -9.652 4.501 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.786 4.871 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.070 5.683 -1.436 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.947 7.808 -1.110 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.421 9.109 -1.478 1.00 0.00 C ATOM 1299 C GLU A 85 -8.010 8.935 -2.038 1.00 0.00 C ATOM 1300 O GLU A 85 -7.081 8.634 -1.290 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.423 10.053 -0.266 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.809 10.156 0.384 1.00 0.00 C ATOM 1303 CD GLU A 85 -10.812 11.181 1.513 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -10.257 10.850 2.582 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -11.362 12.279 1.282 1.00 0.00 O ATOM 0 H GLU A 85 -9.893 7.602 -0.112 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.054 9.557 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.703 9.697 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.095 11.044 -0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.547 10.437 -0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.105 9.182 0.773 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.843 9.125 -3.349 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.532 9.066 -3.974 1.00 0.00 C ATOM 1314 C VAL A 86 -5.716 10.240 -3.421 1.00 0.00 C ATOM 1315 O VAL A 86 -6.027 11.394 -3.702 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.663 9.126 -5.506 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.281 9.144 -6.172 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.429 7.905 -6.032 1.00 0.00 C ATOM 0 H VAL A 86 -8.607 9.322 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.027 8.127 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.204 10.041 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.399 9.187 -7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.725 10.018 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.735 8.240 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.511 7.967 -7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.894 6.995 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.427 7.885 -5.594 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.685 9.949 -2.627 1.00 0.00 N ATOM 1329 CA ALA A 87 -3.839 10.960 -2.011 1.00 0.00 C ATOM 1330 C ALA A 87 -2.835 11.482 -3.035 1.00 0.00 C ATOM 1331 O ALA A 87 -2.635 12.688 -3.149 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.123 10.357 -0.799 1.00 0.00 C ATOM 0 H ALA A 87 -4.415 8.993 -2.394 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.449 11.797 -1.671 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.489 11.114 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.861 10.011 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.508 9.516 -1.121 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.221 10.574 -3.799 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.266 10.921 -4.838 1.00 0.00 C ATOM 1340 C ALA A 88 -1.121 9.748 -5.799 1.00 0.00 C ATOM 1341 O ALA A 88 -1.481 8.616 -5.464 1.00 0.00 O ATOM 1342 CB ALA A 88 0.086 11.294 -4.223 1.00 0.00 C ATOM 0 H ALA A 88 -2.379 9.570 -3.707 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.630 11.789 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.788 11.551 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.040 12.149 -3.559 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.473 10.448 -3.655 1.00 0.00 H new ATOM 1348 N THR A 89 -0.597 10.033 -6.993 1.00 0.00 N ATOM 1349 CA THR A 89 -0.396 9.063 -8.052 1.00 0.00 C ATOM 1350 C THR A 89 0.991 9.261 -8.656 1.00 0.00 C ATOM 1351 O THR A 89 1.320 10.398 -8.988 1.00 0.00 O ATOM 1352 CB THR A 89 -1.465 9.270 -9.135 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.352 10.562 -9.704 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.874 9.158 -8.551 1.00 0.00 C ATOM 0 H THR A 89 -0.295 10.973 -7.249 1.00 0.00 H new ATOM 0 HA THR A 89 -0.477 8.053 -7.651 1.00 0.00 H new ATOM 0 HB THR A 89 -1.305 8.497 -9.887 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.438 10.894 -9.582 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.609 9.309 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.009 8.168 -8.114 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.010 9.916 -7.780 1.00 0.00 H new ATOM 1362 N LYS A 90 1.770 8.191 -8.836 1.00 0.00 N ATOM 1363 CA LYS A 90 3.087 8.254 -9.457 1.00 0.00 C ATOM 1364 C LYS A 90 3.063 7.353 -10.692 1.00 0.00 C ATOM 1365 O LYS A 90 2.858 6.148 -10.568 1.00 0.00 O ATOM 1366 CB LYS A 90 4.167 7.854 -8.435 1.00 0.00 C ATOM 1367 CG LYS A 90 5.556 8.420 -8.776 1.00 0.00 C ATOM 1368 CD LYS A 90 6.264 7.651 -9.900 1.00 0.00 C ATOM 1369 CE LYS A 90 7.500 8.405 -10.396 1.00 0.00 C ATOM 1370 NZ LYS A 90 8.040 7.792 -11.624 1.00 0.00 N ATOM 0 H LYS A 90 1.498 7.250 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 90 3.334 9.266 -9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.871 8.204 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.226 6.767 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.453 9.465 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.179 8.399 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.557 6.665 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.573 7.496 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.241 9.446 -10.589 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.265 8.406 -9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.692 8.457 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.551 6.919 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.258 7.566 -12.272 1.00 0.00 H new ATOM 1384 N VAL A 91 3.270 7.934 -11.877 1.00 0.00 N ATOM 1385 CA VAL A 91 3.314 7.216 -13.144 1.00 0.00 C ATOM 1386 C VAL A 91 4.775 6.873 -13.446 1.00 0.00 C ATOM 1387 O VAL A 91 5.645 7.738 -13.333 1.00 0.00 O ATOM 1388 CB VAL A 91 2.704 8.089 -14.258 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.713 7.354 -15.605 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.256 8.484 -13.932 1.00 0.00 C ATOM 0 H VAL A 91 3.414 8.939 -11.979 1.00 0.00 H new ATOM 0 HA VAL A 91 2.732 6.296 -13.088 1.00 0.00 H new ATOM 0 HB VAL A 91 3.320 8.986 -14.323 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.277 7.994 -16.372 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.739 7.108 -15.878 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.130 6.437 -15.523 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.856 9.099 -14.738 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.649 7.585 -13.826 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.234 9.049 -13.000 1.00 0.00 H new ATOM 1400 N GLY A 92 5.053 5.626 -13.827 1.00 0.00 N ATOM 1401 CA GLY A 92 6.392 5.163 -14.152 1.00 0.00 C ATOM 1402 C GLY A 92 7.132 4.657 -12.916 1.00 0.00 C ATOM 1403 O GLY A 92 6.744 4.928 -11.779 1.00 0.00 O ATOM 0 H GLY A 92 4.340 4.902 -13.918 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.331 4.365 -14.892 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.958 5.976 -14.607 1.00 0.00 H new ATOM 1407 N ALA A 93 8.215 3.909 -13.148 1.00 0.00 N ATOM 1408 CA ALA A 93 9.047 3.364 -12.087 1.00 0.00 C ATOM 1409 C ALA A 93 9.812 4.487 -11.377 1.00 0.00 C ATOM 1410 O ALA A 93 9.870 5.616 -11.862 1.00 0.00 O ATOM 1411 CB ALA A 93 10.010 2.329 -12.679 1.00 0.00 C ATOM 0 H ALA A 93 8.536 3.667 -14.086 1.00 0.00 H new ATOM 0 HA ALA A 93 8.416 2.873 -11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.635 1.918 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.439 1.525 -13.144 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.641 2.806 -13.428 1.00 0.00 H new ATOM 1417 N LEU A 94 10.417 4.167 -10.233 1.00 0.00 N ATOM 1418 CA LEU A 94 11.200 5.082 -9.421 1.00 0.00 C ATOM 1419 C LEU A 94 12.073 4.246 -8.490 1.00 0.00 C ATOM 1420 O LEU A 94 11.847 3.043 -8.359 1.00 0.00 O ATOM 1421 CB LEU A 94 10.298 6.068 -8.658 1.00 0.00 C ATOM 1422 CG LEU A 94 9.475 5.473 -7.500 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.681 6.604 -6.838 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.483 4.395 -7.949 1.00 0.00 C ATOM 0 H LEU A 94 10.370 3.228 -9.837 1.00 0.00 H new ATOM 0 HA LEU A 94 11.838 5.701 -10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.923 6.868 -8.260 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.610 6.525 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 94 10.181 5.003 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.091 6.201 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.370 7.357 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.016 7.059 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.937 4.020 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.780 4.823 -8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.025 3.575 -8.420 1.00 0.00 H new ATOM 1436 N SER A 95 13.064 4.870 -7.853 1.00 0.00 N ATOM 1437 CA SER A 95 13.964 4.170 -6.951 1.00 0.00 C ATOM 1438 C SER A 95 13.337 4.024 -5.563 1.00 0.00 C ATOM 1439 O SER A 95 12.410 4.751 -5.201 1.00 0.00 O ATOM 1440 CB SER A 95 15.312 4.901 -6.890 1.00 0.00 C ATOM 1441 OG SER A 95 15.149 6.239 -6.457 1.00 0.00 O ATOM 0 H SER A 95 13.260 5.866 -7.950 1.00 0.00 H new ATOM 0 HA SER A 95 14.140 3.164 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.983 4.375 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.780 4.889 -7.874 1.00 0.00 H new ATOM 0 HG SER A 95 16.023 6.681 -6.426 1.00 0.00 H new ATOM 1447 N LYS A 96 13.879 3.089 -4.779 1.00 0.00 N ATOM 1448 CA LYS A 96 13.460 2.824 -3.409 1.00 0.00 C ATOM 1449 C LYS A 96 13.383 4.137 -2.627 1.00 0.00 C ATOM 1450 O LYS A 96 12.363 4.431 -2.013 1.00 0.00 O ATOM 1451 CB LYS A 96 14.459 1.838 -2.782 1.00 0.00 C ATOM 1452 CG LYS A 96 14.184 1.484 -1.314 1.00 0.00 C ATOM 1453 CD LYS A 96 12.958 0.577 -1.135 1.00 0.00 C ATOM 1454 CE LYS A 96 12.643 0.323 0.343 1.00 0.00 C ATOM 1455 NZ LYS A 96 13.843 -0.063 1.104 1.00 0.00 N ATOM 0 H LYS A 96 14.639 2.484 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 96 12.466 2.377 -3.385 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.457 0.919 -3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.461 2.262 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.060 0.988 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.036 2.402 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.094 1.036 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.134 -0.374 -1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.209 1.222 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.894 -0.464 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.559 -0.452 2.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.374 -0.783 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.445 0.773 1.251 1.00 0.00 H new ATOM 1469 N GLY A 97 14.459 4.928 -2.661 1.00 0.00 N ATOM 1470 CA GLY A 97 14.528 6.209 -1.974 1.00 0.00 C ATOM 1471 C GLY A 97 13.356 7.112 -2.353 1.00 0.00 C ATOM 1472 O GLY A 97 12.620 7.575 -1.484 1.00 0.00 O ATOM 0 H GLY A 97 15.310 4.691 -3.171 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.529 6.045 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.466 6.706 -2.222 1.00 0.00 H new ATOM 1476 N GLN A 98 13.166 7.349 -3.656 1.00 0.00 N ATOM 1477 CA GLN A 98 12.073 8.180 -4.143 1.00 0.00 C ATOM 1478 C GLN A 98 10.734 7.654 -3.625 1.00 0.00 C ATOM 1479 O GLN A 98 9.907 8.426 -3.139 1.00 0.00 O ATOM 1480 CB GLN A 98 12.083 8.227 -5.674 1.00 0.00 C ATOM 1481 CG GLN A 98 13.261 9.036 -6.223 1.00 0.00 C ATOM 1482 CD GLN A 98 13.283 8.976 -7.747 1.00 0.00 C ATOM 1483 OE1 GLN A 98 12.672 9.798 -8.418 1.00 0.00 O ATOM 1484 NE2 GLN A 98 13.980 7.993 -8.307 1.00 0.00 N ATOM 0 H GLN A 98 13.763 6.971 -4.392 1.00 0.00 H new ATOM 0 HA GLN A 98 12.210 9.194 -3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.129 7.211 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.149 8.663 -6.028 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.183 10.072 -5.895 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.197 8.645 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.479 7.323 -7.721 1.00 0.00 H new ATOM 0 HE22 GLN A 98 14.016 7.908 -9.323 1.00 0.00 H new ATOM 1493 N LEU A 99 10.519 6.339 -3.719 1.00 0.00 N ATOM 1494 CA LEU A 99 9.287 5.727 -3.248 1.00 0.00 C ATOM 1495 C LEU A 99 9.100 5.980 -1.747 1.00 0.00 C ATOM 1496 O LEU A 99 8.031 6.429 -1.336 1.00 0.00 O ATOM 1497 CB LEU A 99 9.260 4.243 -3.638 1.00 0.00 C ATOM 1498 CG LEU A 99 7.951 3.517 -3.286 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.693 4.233 -3.794 1.00 0.00 C ATOM 1500 CD2 LEU A 99 7.987 2.121 -3.914 1.00 0.00 C ATOM 0 H LEU A 99 11.188 5.681 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 99 8.428 6.190 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.430 4.159 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.087 3.735 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 99 7.890 3.487 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.809 3.663 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.639 5.229 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.735 4.317 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.065 1.590 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.083 2.211 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.838 1.566 -3.519 1.00 0.00 H new ATOM 1512 N LYS A 100 10.132 5.742 -0.930 1.00 0.00 N ATOM 1513 CA LYS A 100 10.060 6.007 0.503 1.00 0.00 C ATOM 1514 C LYS A 100 9.678 7.468 0.747 1.00 0.00 C ATOM 1515 O LYS A 100 8.760 7.734 1.518 1.00 0.00 O ATOM 1516 CB LYS A 100 11.374 5.683 1.223 1.00 0.00 C ATOM 1517 CG LYS A 100 11.674 4.182 1.295 1.00 0.00 C ATOM 1518 CD LYS A 100 12.953 3.900 2.104 1.00 0.00 C ATOM 1519 CE LYS A 100 12.812 4.143 3.613 1.00 0.00 C ATOM 1520 NZ LYS A 100 11.749 3.319 4.217 1.00 0.00 N ATOM 0 H LYS A 100 11.027 5.365 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 100 9.293 5.351 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.194 6.186 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.335 6.087 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.831 3.663 1.752 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.785 3.783 0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.251 2.864 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.757 4.528 1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.760 3.925 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.596 5.197 3.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.844 3.334 5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 10.819 3.700 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.833 2.340 3.876 1.00 0.00 H new ATOM 1534 N GLU A 101 10.371 8.411 0.100 1.00 0.00 N ATOM 1535 CA GLU A 101 10.082 9.830 0.261 1.00 0.00 C ATOM 1536 C GLU A 101 8.622 10.125 -0.094 1.00 0.00 C ATOM 1537 O GLU A 101 7.914 10.752 0.689 1.00 0.00 O ATOM 1538 CB GLU A 101 11.047 10.677 -0.583 1.00 0.00 C ATOM 1539 CG GLU A 101 12.493 10.610 -0.067 1.00 0.00 C ATOM 1540 CD GLU A 101 12.639 11.214 1.326 1.00 0.00 C ATOM 1541 OE1 GLU A 101 12.542 12.457 1.417 1.00 0.00 O ATOM 1542 OE2 GLU A 101 12.838 10.421 2.273 1.00 0.00 O ATOM 0 H GLU A 101 11.138 8.210 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 101 10.231 10.100 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.017 10.334 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.712 11.714 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.821 9.571 -0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.149 11.138 -0.760 1.00 0.00 H new ATOM 1549 N PHE A 102 8.170 9.666 -1.264 1.00 0.00 N ATOM 1550 CA PHE A 102 6.798 9.847 -1.724 1.00 0.00 C ATOM 1551 C PHE A 102 5.810 9.346 -0.665 1.00 0.00 C ATOM 1552 O PHE A 102 4.908 10.073 -0.243 1.00 0.00 O ATOM 1553 CB PHE A 102 6.618 9.106 -3.060 1.00 0.00 C ATOM 1554 CG PHE A 102 5.200 9.074 -3.602 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.740 10.100 -4.449 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.367 7.971 -3.328 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.472 10.001 -5.051 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.093 7.883 -3.916 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.653 8.888 -4.792 1.00 0.00 C ATOM 0 H PHE A 102 8.756 9.153 -1.923 1.00 0.00 H new ATOM 0 HA PHE A 102 6.595 10.906 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.263 9.573 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 102 6.965 8.080 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.361 10.964 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.708 7.191 -2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.127 10.781 -5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.453 7.042 -3.694 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.686 8.806 -5.266 1.00 0.00 H new ATOM 1569 N LEU A 103 5.982 8.096 -0.233 1.00 0.00 N ATOM 1570 CA LEU A 103 5.112 7.484 0.757 1.00 0.00 C ATOM 1571 C LEU A 103 5.120 8.285 2.053 1.00 0.00 C ATOM 1572 O LEU A 103 4.062 8.698 2.521 1.00 0.00 O ATOM 1573 CB LEU A 103 5.532 6.033 0.999 1.00 0.00 C ATOM 1574 CG LEU A 103 5.267 5.157 -0.233 1.00 0.00 C ATOM 1575 CD1 LEU A 103 5.980 3.818 -0.048 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.767 4.958 -0.475 1.00 0.00 C ATOM 0 H LEU A 103 6.729 7.485 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 103 4.091 7.486 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.592 5.997 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.987 5.634 1.855 1.00 0.00 H new ATOM 0 HG LEU A 103 5.659 5.660 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.799 3.186 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.051 3.988 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.599 3.323 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.620 4.333 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.320 4.473 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.293 5.926 -0.635 1.00 0.00 H new ATOM 1588 N ASP A 104 6.302 8.519 2.624 1.00 0.00 N ATOM 1589 CA ASP A 104 6.457 9.278 3.856 1.00 0.00 C ATOM 1590 C ASP A 104 5.747 10.629 3.751 1.00 0.00 C ATOM 1591 O ASP A 104 4.941 10.971 4.611 1.00 0.00 O ATOM 1592 CB ASP A 104 7.946 9.459 4.171 1.00 0.00 C ATOM 1593 CG ASP A 104 8.131 10.265 5.451 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.016 9.647 6.532 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.372 11.485 5.327 1.00 0.00 O ATOM 0 H ASP A 104 7.184 8.182 2.238 1.00 0.00 H new ATOM 0 HA ASP A 104 5.995 8.725 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.422 8.484 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.439 9.966 3.342 1.00 0.00 H new ATOM 1600 N ALA A 105 6.036 11.382 2.687 1.00 0.00 N ATOM 1601 CA ALA A 105 5.444 12.688 2.438 1.00 0.00 C ATOM 1602 C ALA A 105 3.916 12.628 2.418 1.00 0.00 C ATOM 1603 O ALA A 105 3.259 13.541 2.913 1.00 0.00 O ATOM 1604 CB ALA A 105 5.981 13.256 1.121 1.00 0.00 C ATOM 0 H ALA A 105 6.698 11.093 1.967 1.00 0.00 H new ATOM 0 HA ALA A 105 5.726 13.349 3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.535 14.234 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.065 13.357 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.726 12.582 0.303 1.00 0.00 H new ATOM 1610 N ASN A 106 3.340 11.558 1.860 1.00 0.00 N ATOM 1611 CA ASN A 106 1.890 11.432 1.775 1.00 0.00 C ATOM 1612 C ASN A 106 1.314 11.008 3.123 1.00 0.00 C ATOM 1613 O ASN A 106 0.348 11.599 3.595 1.00 0.00 O ATOM 1614 CB ASN A 106 1.496 10.399 0.714 1.00 0.00 C ATOM 1615 CG ASN A 106 1.421 11.000 -0.683 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.350 11.404 -1.120 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.539 11.047 -1.400 1.00 0.00 N ATOM 0 H ASN A 106 3.857 10.773 1.464 1.00 0.00 H new ATOM 0 HA ASN A 106 1.486 12.405 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.220 9.584 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.529 9.967 0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.523 11.428 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.413 10.702 -1.004 1.00 0.00 H new ATOM 1624 N LEU A 107 1.887 9.976 3.743 1.00 0.00 N ATOM 1625 CA LEU A 107 1.432 9.467 5.030 1.00 0.00 C ATOM 1626 C LEU A 107 1.495 10.578 6.082 1.00 0.00 C ATOM 1627 O LEU A 107 0.550 10.764 6.846 1.00 0.00 O ATOM 1628 CB LEU A 107 2.270 8.246 5.436 1.00 0.00 C ATOM 1629 CG LEU A 107 2.017 7.024 4.537 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.164 6.024 4.701 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.691 6.329 4.877 1.00 0.00 C ATOM 0 H LEU A 107 2.685 9.469 3.361 1.00 0.00 H new ATOM 0 HA LEU A 107 0.394 9.144 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.327 8.507 5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.045 7.984 6.470 1.00 0.00 H new ATOM 0 HG LEU A 107 1.960 7.375 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.985 5.158 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.103 6.497 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.222 5.704 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.551 5.471 4.219 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.712 5.992 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.133 7.030 4.740 1.00 0.00 H new ATOM 1643 N ALA A 108 2.595 11.335 6.111 1.00 0.00 N ATOM 1644 CA ALA A 108 2.760 12.451 7.028 1.00 0.00 C ATOM 1645 C ALA A 108 1.665 13.490 6.781 1.00 0.00 C ATOM 1646 O ALA A 108 1.553 14.465 7.522 1.00 0.00 O ATOM 1647 CB ALA A 108 4.152 13.063 6.851 1.00 0.00 C ATOM 0 H ALA A 108 3.394 11.186 5.495 1.00 0.00 H new ATOM 0 HA ALA A 108 2.670 12.099 8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.272 13.899 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.910 12.309 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.266 13.418 5.827 1.00 0.00 H new TER 1653 ALA A 108