USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 6 HIS : no HD1:sc= 0.83 K(o=1.6,f=-1.9!) USER MOD Set 1.2: A 40 THR OG1 : rot 63:sc= 0.793 USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= -0.544 USER MOD Set 2.2: A 14 HIS : no HD1:sc= 0 X(o=-0.26,f=-0.26) USER MOD Set 2.3: A 15 CYS SG : rot 83:sc= 0.245 USER MOD Set 2.4: A 61 TYR OH : rot -40:sc= 0.0396 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -144:sc= 0 (180deg=-0.767) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -76:sc= -0.609 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 104:sc= 0.0644 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.39) USER MOD Single : A 57 THR OG1 : rot -6:sc= 0.714 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.450 -9.641 -1.894 1.00 0.00 N ATOM 19 CA LEU A 3 2.811 -9.387 -0.607 1.00 0.00 C ATOM 20 C LEU A 3 1.384 -8.879 -0.799 1.00 0.00 C ATOM 21 O LEU A 3 1.098 -8.142 -1.741 1.00 0.00 O ATOM 22 CB LEU A 3 3.633 -8.379 0.206 1.00 0.00 C ATOM 23 CG LEU A 3 5.078 -8.802 0.500 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.822 -7.670 1.198 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.077 -10.057 1.359 1.00 0.00 C ATOM 0 HA LEU A 3 2.766 -10.327 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.651 -7.431 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.124 -8.199 1.153 1.00 0.00 H new ATOM 0 HG LEU A 3 5.590 -9.020 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.847 -7.980 1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.830 -6.790 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.322 -7.430 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.104 -10.356 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.561 -9.855 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.565 -10.860 0.829 1.00 0.00 H new ATOM 37 N SER A 4 0.493 -9.278 0.104 1.00 0.00 N ATOM 38 CA SER A 4 -0.887 -8.812 0.073 1.00 0.00 C ATOM 39 C SER A 4 -1.288 -8.213 1.418 1.00 0.00 C ATOM 40 O SER A 4 -1.099 -8.828 2.466 1.00 0.00 O ATOM 41 CB SER A 4 -1.817 -9.951 -0.298 1.00 0.00 C ATOM 42 OG SER A 4 -3.160 -9.552 -0.313 1.00 0.00 O ATOM 0 H SER A 4 0.703 -9.923 0.866 1.00 0.00 H new ATOM 0 HA SER A 4 -0.969 -8.032 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.543 -10.337 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.690 -10.768 0.412 1.00 0.00 H new ATOM 0 HG SER A 4 -3.725 -10.314 -0.558 1.00 0.00 H new ATOM 48 N PHE A 5 -1.843 -7.005 1.378 1.00 0.00 N ATOM 49 CA PHE A 5 -2.229 -6.301 2.595 1.00 0.00 C ATOM 50 C PHE A 5 -3.595 -5.641 2.431 1.00 0.00 C ATOM 51 O PHE A 5 -3.810 -4.854 1.507 1.00 0.00 O ATOM 52 CB PHE A 5 -1.175 -5.254 2.964 1.00 0.00 C ATOM 53 CG PHE A 5 -1.402 -4.614 4.304 1.00 0.00 C ATOM 54 CD1 PHE A 5 -1.229 -5.339 5.473 1.00 0.00 C ATOM 55 CD2 PHE A 5 -1.789 -3.285 4.398 1.00 0.00 C ATOM 56 CE1 PHE A 5 -1.437 -4.750 6.707 1.00 0.00 C ATOM 57 CE2 PHE A 5 -1.996 -2.694 5.629 1.00 0.00 C ATOM 58 CZ PHE A 5 -1.820 -3.429 6.785 1.00 0.00 C ATOM 0 H PHE A 5 -2.035 -6.494 0.516 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.296 -7.030 3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.191 -5.724 2.958 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.163 -4.478 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.929 -6.375 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.930 -2.706 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.299 -5.326 7.610 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.295 -1.658 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.982 -2.969 7.749 1.00 0.00 H new ATOM 68 N HIS A 6 -4.514 -5.964 3.334 1.00 0.00 N ATOM 69 CA HIS A 6 -5.880 -5.460 3.249 1.00 0.00 C ATOM 70 C HIS A 6 -6.059 -4.225 4.129 1.00 0.00 C ATOM 71 O HIS A 6 -5.695 -4.229 5.304 1.00 0.00 O ATOM 72 CB HIS A 6 -6.885 -6.544 3.653 1.00 0.00 C ATOM 73 CG HIS A 6 -8.303 -6.067 3.686 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.063 -5.912 2.544 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.101 -5.710 4.720 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.268 -5.481 2.877 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.315 -5.351 4.190 1.00 0.00 N ATOM 0 H HIS A 6 -4.338 -6.573 4.133 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.069 -5.178 2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.807 -7.377 2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.617 -6.927 4.638 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.832 -5.708 5.766 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.076 -5.271 2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.124 -5.035 4.725 1.00 0.00 H new ATOM 84 N VAL A 7 -6.623 -3.169 3.550 1.00 0.00 N ATOM 85 CA VAL A 7 -6.796 -1.909 4.262 1.00 0.00 C ATOM 86 C VAL A 7 -8.261 -1.486 4.280 1.00 0.00 C ATOM 87 O VAL A 7 -8.879 -1.311 3.231 1.00 0.00 O ATOM 88 CB VAL A 7 -5.953 -0.783 3.634 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.179 0.527 4.374 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.478 -1.153 3.645 1.00 0.00 C ATOM 0 H VAL A 7 -6.968 -3.162 2.590 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.455 -2.075 5.284 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.268 -0.653 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.576 1.312 3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.233 0.800 4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.891 0.409 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.897 -0.346 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.150 -1.310 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.328 -2.068 3.073 1.00 0.00 H new ATOM 100 N GLU A 8 -8.810 -1.322 5.480 1.00 0.00 N ATOM 101 CA GLU A 8 -10.220 -0.986 5.635 1.00 0.00 C ATOM 102 C GLU A 8 -10.507 0.416 5.104 1.00 0.00 C ATOM 103 O GLU A 8 -11.576 0.675 4.553 1.00 0.00 O ATOM 104 CB GLU A 8 -10.639 -1.092 7.103 1.00 0.00 C ATOM 105 CG GLU A 8 -10.763 -2.518 7.620 1.00 0.00 C ATOM 106 CD GLU A 8 -11.908 -3.239 6.964 1.00 0.00 C ATOM 107 OE1 GLU A 8 -12.996 -2.713 6.965 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.674 -4.261 6.364 1.00 0.00 O ATOM 0 H GLU A 8 -8.300 -1.416 6.358 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.803 -1.700 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.912 -0.558 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.596 -0.587 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.835 -3.057 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.910 -2.504 8.700 1.00 0.00 H new ATOM 115 N ASP A 9 -9.544 1.316 5.277 1.00 0.00 N ATOM 116 CA ASP A 9 -9.782 2.738 5.066 1.00 0.00 C ATOM 117 C ASP A 9 -9.857 3.063 3.577 1.00 0.00 C ATOM 118 O ASP A 9 -10.290 4.146 3.189 1.00 0.00 O ATOM 119 CB ASP A 9 -8.683 3.570 5.734 1.00 0.00 C ATOM 120 CG ASP A 9 -8.770 3.624 7.252 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.787 3.248 7.784 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.769 3.891 7.876 1.00 0.00 O ATOM 0 H ASP A 9 -8.592 1.085 5.563 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.740 2.991 5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.713 3.161 5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.726 4.587 5.343 1.00 0.00 H new ATOM 127 N MET A 10 -9.432 2.114 2.749 1.00 0.00 N ATOM 128 CA MET A 10 -9.423 2.310 1.303 1.00 0.00 C ATOM 129 C MET A 10 -10.842 2.462 0.766 1.00 0.00 C ATOM 130 O MET A 10 -11.730 1.676 1.099 1.00 0.00 O ATOM 131 CB MET A 10 -8.717 1.143 0.616 1.00 0.00 C ATOM 132 CG MET A 10 -7.203 1.137 0.781 1.00 0.00 C ATOM 133 SD MET A 10 -6.425 -0.297 0.011 1.00 0.00 S ATOM 134 CE MET A 10 -6.358 0.232 -1.698 1.00 0.00 C ATOM 0 H MET A 10 -9.090 1.203 3.054 1.00 0.00 H new ATOM 0 HA MET A 10 -8.877 3.228 1.086 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.117 0.209 1.011 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.954 1.166 -0.448 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.790 2.047 0.345 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.957 1.152 1.843 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.530 -0.624 -2.351 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.126 0.984 -1.876 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.377 0.658 -1.909 1.00 0.00 H new ATOM 144 N THR A 11 -11.050 3.479 -0.065 1.00 0.00 N ATOM 145 CA THR A 11 -12.369 3.755 -0.619 1.00 0.00 C ATOM 146 C THR A 11 -12.329 3.803 -2.141 1.00 0.00 C ATOM 147 O THR A 11 -13.028 3.043 -2.814 1.00 0.00 O ATOM 148 CB THR A 11 -12.937 5.085 -0.088 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.973 5.054 1.345 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.342 5.316 -0.622 1.00 0.00 C ATOM 0 H THR A 11 -10.321 4.125 -0.369 1.00 0.00 H new ATOM 0 HA THR A 11 -13.019 2.940 -0.302 1.00 0.00 H new ATOM 0 HB THR A 11 -12.293 5.898 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.333 5.901 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.727 6.260 -0.236 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.316 5.352 -1.711 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.991 4.501 -0.302 1.00 0.00 H new ATOM 158 N CYS A 12 -11.508 4.697 -2.680 1.00 0.00 N ATOM 159 CA CYS A 12 -11.411 4.876 -4.123 1.00 0.00 C ATOM 160 C CYS A 12 -9.960 5.062 -4.554 1.00 0.00 C ATOM 161 O CYS A 12 -9.049 5.029 -3.728 1.00 0.00 O ATOM 162 CB CYS A 12 -12.214 6.156 -4.359 1.00 0.00 C ATOM 163 SG CYS A 12 -11.533 7.626 -3.556 1.00 0.00 S ATOM 0 H CYS A 12 -10.899 5.310 -2.138 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.779 4.020 -4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.275 6.339 -5.432 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.233 6.002 -4.003 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.285 8.653 -3.820 1.00 0.00 H new ATOM 169 N GLY A 13 -9.753 5.257 -5.852 1.00 0.00 N ATOM 170 CA GLY A 13 -8.406 5.340 -6.385 1.00 0.00 C ATOM 171 C GLY A 13 -7.628 6.509 -5.813 1.00 0.00 C ATOM 172 O GLY A 13 -6.399 6.540 -5.884 1.00 0.00 O ATOM 0 H GLY A 13 -10.495 5.359 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.875 4.413 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.453 5.434 -7.470 1.00 0.00 H new ATOM 176 N HIS A 14 -8.345 7.476 -5.249 1.00 0.00 N ATOM 177 CA HIS A 14 -7.713 8.644 -4.647 1.00 0.00 C ATOM 178 C HIS A 14 -7.100 8.294 -3.294 1.00 0.00 C ATOM 179 O HIS A 14 -6.216 8.996 -2.803 1.00 0.00 O ATOM 180 CB HIS A 14 -8.722 9.787 -4.490 1.00 0.00 C ATOM 181 CG HIS A 14 -9.229 10.325 -5.792 1.00 0.00 C ATOM 182 ND1 HIS A 14 -8.450 11.093 -6.633 1.00 0.00 N ATOM 183 CD2 HIS A 14 -10.434 10.209 -6.396 1.00 0.00 C ATOM 184 CE1 HIS A 14 -9.156 11.425 -7.700 1.00 0.00 C ATOM 185 NE2 HIS A 14 -10.363 10.901 -7.580 1.00 0.00 N ATOM 0 H HIS A 14 -9.364 7.474 -5.196 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.915 8.973 -5.313 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.567 9.435 -3.899 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.256 10.597 -3.929 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.292 9.672 -6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.806 12.023 -8.529 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.120 10.995 -8.257 1.00 0.00 H new ATOM 192 N CYS A 15 -7.578 7.208 -2.697 1.00 0.00 N ATOM 193 CA CYS A 15 -7.000 6.699 -1.459 1.00 0.00 C ATOM 194 C CYS A 15 -5.911 5.672 -1.749 1.00 0.00 C ATOM 195 O CYS A 15 -4.878 5.642 -1.080 1.00 0.00 O ATOM 196 CB CYS A 15 -8.197 6.039 -0.772 1.00 0.00 C ATOM 197 SG CYS A 15 -9.515 7.184 -0.301 1.00 0.00 S ATOM 0 H CYS A 15 -8.364 6.663 -3.050 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.525 7.472 -0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.611 5.283 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.847 5.520 0.121 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.287 7.401 -1.324 1.00 0.00 H new ATOM 203 N ALA A 16 -6.150 4.831 -2.749 1.00 0.00 N ATOM 204 CA ALA A 16 -5.168 3.834 -3.160 1.00 0.00 C ATOM 205 C ALA A 16 -3.898 4.496 -3.681 1.00 0.00 C ATOM 206 O ALA A 16 -2.792 4.009 -3.450 1.00 0.00 O ATOM 207 CB ALA A 16 -5.760 2.915 -4.219 1.00 0.00 C ATOM 0 H ALA A 16 -7.015 4.820 -3.290 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.903 3.239 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.016 2.176 -4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.634 2.407 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.054 3.503 -5.088 1.00 0.00 H new ATOM 213 N GLY A 17 -4.062 5.610 -4.388 1.00 0.00 N ATOM 214 CA GLY A 17 -2.921 6.318 -4.934 1.00 0.00 C ATOM 215 C GLY A 17 -1.986 6.831 -3.857 1.00 0.00 C ATOM 216 O GLY A 17 -0.767 6.817 -4.022 1.00 0.00 O ATOM 0 H GLY A 17 -4.967 6.035 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.371 5.655 -5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.272 7.157 -5.536 1.00 0.00 H new ATOM 220 N VAL A 18 -2.558 7.286 -2.746 1.00 0.00 N ATOM 221 CA VAL A 18 -1.770 7.802 -1.635 1.00 0.00 C ATOM 222 C VAL A 18 -0.904 6.707 -1.020 1.00 0.00 C ATOM 223 O VAL A 18 0.259 6.935 -0.687 1.00 0.00 O ATOM 224 CB VAL A 18 -2.666 8.411 -0.541 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.838 8.782 0.681 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.404 9.631 -1.073 1.00 0.00 C ATOM 0 H VAL A 18 -3.566 7.307 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.128 8.584 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.403 7.664 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.488 9.211 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.353 7.889 1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.079 9.512 0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.032 10.048 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.682 10.381 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.027 9.339 -1.918 1.00 0.00 H new ATOM 236 N ILE A 19 -1.480 5.520 -0.872 1.00 0.00 N ATOM 237 CA ILE A 19 -0.738 4.368 -0.375 1.00 0.00 C ATOM 238 C ILE A 19 0.416 4.014 -1.309 1.00 0.00 C ATOM 239 O ILE A 19 1.533 3.758 -0.862 1.00 0.00 O ATOM 240 CB ILE A 19 -1.649 3.138 -0.211 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.650 3.363 0.927 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.818 1.890 0.049 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.751 2.329 0.985 1.00 0.00 C ATOM 0 H ILE A 19 -2.458 5.330 -1.089 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.340 4.646 0.601 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.205 2.994 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.113 3.362 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.097 4.351 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.478 1.030 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.143 1.721 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.236 2.024 0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.419 2.555 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.314 2.344 0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.315 1.341 1.129 1.00 0.00 H new ATOM 255 N LYS A 20 0.136 4.001 -2.607 1.00 0.00 N ATOM 256 CA LYS A 20 1.163 3.739 -3.608 1.00 0.00 C ATOM 257 C LYS A 20 2.275 4.780 -3.531 1.00 0.00 C ATOM 258 O LYS A 20 3.454 4.454 -3.662 1.00 0.00 O ATOM 259 CB LYS A 20 0.553 3.719 -5.010 1.00 0.00 C ATOM 260 CG LYS A 20 1.558 3.489 -6.131 1.00 0.00 C ATOM 261 CD LYS A 20 0.861 3.296 -7.469 1.00 0.00 C ATOM 262 CE LYS A 20 1.864 3.059 -8.587 1.00 0.00 C ATOM 263 NZ LYS A 20 1.198 2.902 -9.909 1.00 0.00 N ATOM 0 H LYS A 20 -0.794 4.169 -2.991 1.00 0.00 H new ATOM 0 HA LYS A 20 1.595 2.760 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.205 2.937 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.043 4.666 -5.185 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.238 4.339 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.164 2.612 -5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.177 2.450 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.259 4.176 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.563 3.894 -8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.448 2.165 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.917 2.742 -10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.550 2.089 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.661 3.764 -10.132 1.00 0.00 H new ATOM 277 N GLY A 21 1.891 6.036 -3.319 1.00 0.00 N ATOM 278 CA GLY A 21 2.870 7.101 -3.200 1.00 0.00 C ATOM 279 C GLY A 21 3.785 6.917 -2.005 1.00 0.00 C ATOM 280 O GLY A 21 4.989 7.153 -2.095 1.00 0.00 O ATOM 0 H GLY A 21 0.920 6.334 -3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.469 7.143 -4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.354 8.057 -3.114 1.00 0.00 H new ATOM 284 N ALA A 22 3.212 6.494 -0.884 1.00 0.00 N ATOM 285 CA ALA A 22 3.990 6.243 0.324 1.00 0.00 C ATOM 286 C ALA A 22 4.980 5.103 0.112 1.00 0.00 C ATOM 287 O ALA A 22 6.127 5.176 0.553 1.00 0.00 O ATOM 288 CB ALA A 22 3.066 5.931 1.491 1.00 0.00 C ATOM 0 H ALA A 22 2.212 6.318 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 22 4.558 7.144 0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.660 5.746 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.401 6.777 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.473 5.046 1.259 1.00 0.00 H new ATOM 294 N ILE A 23 4.531 4.053 -0.567 1.00 0.00 N ATOM 295 CA ILE A 23 5.377 2.896 -0.833 1.00 0.00 C ATOM 296 C ILE A 23 6.552 3.270 -1.731 1.00 0.00 C ATOM 297 O ILE A 23 7.700 2.940 -1.436 1.00 0.00 O ATOM 298 CB ILE A 23 4.582 1.754 -1.491 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.575 1.164 -0.499 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.525 0.675 -2.002 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.568 0.232 -1.133 1.00 0.00 C ATOM 0 H ILE A 23 3.586 3.980 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 23 5.754 2.553 0.130 1.00 0.00 H new ATOM 0 HB ILE A 23 4.032 2.159 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.117 0.624 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.043 1.979 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.946 -0.125 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.204 1.104 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.101 0.271 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.889 -0.145 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.998 0.772 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.089 -0.604 -1.600 1.00 0.00 H new ATOM 313 N GLU A 24 6.255 3.962 -2.827 1.00 0.00 N ATOM 314 CA GLU A 24 7.284 4.358 -3.782 1.00 0.00 C ATOM 315 C GLU A 24 8.231 5.384 -3.165 1.00 0.00 C ATOM 316 O GLU A 24 9.435 5.365 -3.421 1.00 0.00 O ATOM 317 CB GLU A 24 6.648 4.924 -5.053 1.00 0.00 C ATOM 318 CG GLU A 24 7.645 5.309 -6.137 1.00 0.00 C ATOM 319 CD GLU A 24 8.376 4.103 -6.659 1.00 0.00 C ATOM 320 OE1 GLU A 24 7.940 3.008 -6.398 1.00 0.00 O ATOM 321 OE2 GLU A 24 9.307 4.277 -7.410 1.00 0.00 O ATOM 0 H GLU A 24 5.312 4.260 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 24 7.860 3.471 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.956 4.186 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.059 5.802 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.122 5.803 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.361 6.027 -5.737 1.00 0.00 H new ATOM 328 N LYS A 25 7.677 6.278 -2.353 1.00 0.00 N ATOM 329 CA LYS A 25 8.464 7.339 -1.734 1.00 0.00 C ATOM 330 C LYS A 25 9.547 6.758 -0.831 1.00 0.00 C ATOM 331 O LYS A 25 10.689 7.220 -0.838 1.00 0.00 O ATOM 332 CB LYS A 25 7.560 8.281 -0.936 1.00 0.00 C ATOM 333 CG LYS A 25 8.293 9.434 -0.262 1.00 0.00 C ATOM 334 CD LYS A 25 7.321 10.376 0.432 1.00 0.00 C ATOM 335 CE LYS A 25 8.054 11.510 1.134 1.00 0.00 C ATOM 336 NZ LYS A 25 7.117 12.428 1.835 1.00 0.00 N ATOM 0 H LYS A 25 6.687 6.289 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 25 8.948 7.907 -2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.801 8.689 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.037 7.704 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.003 9.041 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.869 9.985 -1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.626 10.788 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.728 9.820 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.761 11.095 1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.635 12.073 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.656 13.186 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.458 12.844 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.580 11.897 2.550 1.00 0.00 H new ATOM 350 N THR A 26 9.182 5.742 -0.055 1.00 0.00 N ATOM 351 CA THR A 26 10.108 5.135 0.894 1.00 0.00 C ATOM 352 C THR A 26 10.860 3.971 0.260 1.00 0.00 C ATOM 353 O THR A 26 11.940 3.597 0.716 1.00 0.00 O ATOM 354 CB THR A 26 9.377 4.637 2.155 1.00 0.00 C ATOM 355 OG1 THR A 26 8.410 3.645 1.788 1.00 0.00 O ATOM 356 CG2 THR A 26 8.675 5.790 2.856 1.00 0.00 C ATOM 0 H THR A 26 8.252 5.322 -0.065 1.00 0.00 H new ATOM 0 HA THR A 26 10.819 5.910 1.180 1.00 0.00 H new ATOM 0 HB THR A 26 10.111 4.205 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.627 4.082 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.164 5.419 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.410 6.541 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.947 6.238 2.180 1.00 0.00 H new ATOM 364 N VAL A 27 10.283 3.402 -0.793 1.00 0.00 N ATOM 365 CA VAL A 27 10.931 2.325 -1.531 1.00 0.00 C ATOM 366 C VAL A 27 10.873 2.576 -3.034 1.00 0.00 C ATOM 367 O VAL A 27 9.883 2.270 -3.700 1.00 0.00 O ATOM 368 CB VAL A 27 10.289 0.960 -1.222 1.00 0.00 C ATOM 369 CG1 VAL A 27 11.020 -0.152 -1.958 1.00 0.00 C ATOM 370 CG2 VAL A 27 10.292 0.697 0.276 1.00 0.00 C ATOM 0 H VAL A 27 9.367 3.669 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 27 11.972 2.305 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 27 9.255 0.980 -1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.553 -1.109 -1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.969 0.028 -3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.063 -0.172 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.835 -0.272 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.318 0.697 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.725 1.478 0.784 1.00 0.00 H new ATOM 380 N PRO A 28 11.956 3.145 -3.582 1.00 0.00 N ATOM 381 CA PRO A 28 12.034 3.490 -5.005 1.00 0.00 C ATOM 382 C PRO A 28 12.092 2.257 -5.898 1.00 0.00 C ATOM 383 O PRO A 28 12.829 1.312 -5.620 1.00 0.00 O ATOM 384 CB PRO A 28 13.310 4.330 -5.110 1.00 0.00 C ATOM 385 CG PRO A 28 14.138 3.895 -3.948 1.00 0.00 C ATOM 386 CD PRO A 28 13.156 3.606 -2.845 1.00 0.00 C ATOM 0 HA PRO A 28 11.149 4.027 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 28 13.826 4.153 -6.054 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.089 5.396 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.725 3.010 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.842 4.673 -3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.529 2.842 -2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.947 4.493 -2.248 1.00 0.00 H new ATOM 394 N GLY A 29 11.311 2.272 -6.973 1.00 0.00 N ATOM 395 CA GLY A 29 11.301 1.156 -7.901 1.00 0.00 C ATOM 396 C GLY A 29 10.357 0.051 -7.468 1.00 0.00 C ATOM 397 O GLY A 29 10.338 -1.026 -8.063 1.00 0.00 O ATOM 0 H GLY A 29 10.684 3.038 -7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.010 1.512 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.310 0.753 -7.991 1.00 0.00 H new ATOM 401 N ALA A 30 9.576 0.316 -6.427 1.00 0.00 N ATOM 402 CA ALA A 30 8.632 -0.667 -5.910 1.00 0.00 C ATOM 403 C ALA A 30 7.449 -0.843 -6.856 1.00 0.00 C ATOM 404 O ALA A 30 6.954 0.125 -7.433 1.00 0.00 O ATOM 405 CB ALA A 30 8.149 -0.258 -4.527 1.00 0.00 C ATOM 0 H ALA A 30 9.578 1.204 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 30 9.147 -1.624 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.445 -1.001 -4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.000 -0.191 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.656 0.712 -4.586 1.00 0.00 H new ATOM 411 N ALA A 31 6.998 -2.083 -7.009 1.00 0.00 N ATOM 412 CA ALA A 31 5.802 -2.372 -7.791 1.00 0.00 C ATOM 413 C ALA A 31 4.564 -2.421 -6.903 1.00 0.00 C ATOM 414 O ALA A 31 4.489 -3.220 -5.969 1.00 0.00 O ATOM 415 CB ALA A 31 5.967 -3.682 -8.545 1.00 0.00 C ATOM 0 H ALA A 31 7.443 -2.905 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 31 5.667 -1.566 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.066 -3.884 -9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.822 -3.610 -9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.131 -4.492 -7.835 1.00 0.00 H new ATOM 421 N VAL A 32 3.593 -1.561 -7.198 1.00 0.00 N ATOM 422 CA VAL A 32 2.371 -1.487 -6.407 1.00 0.00 C ATOM 423 C VAL A 32 1.140 -1.707 -7.277 1.00 0.00 C ATOM 424 O VAL A 32 0.897 -0.963 -8.228 1.00 0.00 O ATOM 425 CB VAL A 32 2.244 -0.131 -5.687 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.961 -0.078 -4.873 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.451 0.112 -4.793 1.00 0.00 C ATOM 0 H VAL A 32 3.630 -0.906 -7.979 1.00 0.00 H new ATOM 0 HA VAL A 32 2.431 -2.279 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 32 2.207 0.656 -6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.888 0.887 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.105 -0.209 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.969 -0.874 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.345 1.074 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.517 -0.680 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.357 0.116 -5.399 1.00 0.00 H new ATOM 437 N HIS A 33 0.364 -2.733 -6.946 1.00 0.00 N ATOM 438 CA HIS A 33 -0.941 -2.939 -7.567 1.00 0.00 C ATOM 439 C HIS A 33 -2.055 -2.866 -6.527 1.00 0.00 C ATOM 440 O HIS A 33 -2.248 -3.797 -5.744 1.00 0.00 O ATOM 441 CB HIS A 33 -0.989 -4.285 -8.297 1.00 0.00 C ATOM 442 CG HIS A 33 0.051 -4.426 -9.365 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.102 -3.891 -10.627 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.255 -5.044 -9.360 1.00 0.00 C ATOM 445 CE1 HIS A 33 0.967 -4.173 -11.352 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.804 -4.871 -10.606 1.00 0.00 N ATOM 0 H HIS A 33 0.615 -3.436 -6.251 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.094 -2.142 -8.295 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.862 -5.087 -7.570 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.975 -4.412 -8.743 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.700 -5.574 -8.531 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.128 -3.882 -12.379 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.712 -5.225 -10.907 1.00 0.00 H new ATOM 453 N ALA A 34 -2.785 -1.755 -6.525 1.00 0.00 N ATOM 454 CA ALA A 34 -3.767 -1.489 -5.481 1.00 0.00 C ATOM 455 C ALA A 34 -5.185 -1.524 -6.038 1.00 0.00 C ATOM 456 O ALA A 34 -5.440 -1.038 -7.141 1.00 0.00 O ATOM 457 CB ALA A 34 -3.489 -0.145 -4.825 1.00 0.00 C ATOM 0 H ALA A 34 -2.715 -1.025 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.681 -2.273 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.230 0.041 -4.047 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.493 -0.155 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.544 0.644 -5.575 1.00 0.00 H new ATOM 463 N ASP A 35 -6.104 -2.101 -5.272 1.00 0.00 N ATOM 464 CA ASP A 35 -7.510 -2.128 -5.653 1.00 0.00 C ATOM 465 C ASP A 35 -8.395 -1.658 -4.503 1.00 0.00 C ATOM 466 O ASP A 35 -8.621 -2.374 -3.529 1.00 0.00 O ATOM 467 CB ASP A 35 -7.922 -3.535 -6.095 1.00 0.00 C ATOM 468 CG ASP A 35 -9.380 -3.662 -6.514 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.139 -2.764 -6.234 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.690 -4.573 -7.245 1.00 0.00 O ATOM 0 H ASP A 35 -5.900 -2.557 -4.383 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.644 -1.445 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.289 -3.840 -6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.730 -4.230 -5.278 1.00 0.00 H new ATOM 475 N PRO A 36 -8.906 -0.423 -4.615 1.00 0.00 N ATOM 476 CA PRO A 36 -9.701 0.205 -3.555 1.00 0.00 C ATOM 477 C PRO A 36 -11.131 -0.325 -3.513 1.00 0.00 C ATOM 478 O PRO A 36 -11.804 -0.239 -2.487 1.00 0.00 O ATOM 479 CB PRO A 36 -9.692 1.688 -3.936 1.00 0.00 C ATOM 480 CG PRO A 36 -9.504 1.699 -5.414 1.00 0.00 C ATOM 481 CD PRO A 36 -8.615 0.527 -5.726 1.00 0.00 C ATOM 0 HA PRO A 36 -9.293 0.003 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.625 2.175 -3.652 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.887 2.222 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.460 1.612 -5.930 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.048 2.633 -5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.847 0.093 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.563 0.813 -5.747 1.00 0.00 H new ATOM 489 N ALA A 37 -11.587 -0.874 -4.634 1.00 0.00 N ATOM 490 CA ALA A 37 -12.861 -1.580 -4.675 1.00 0.00 C ATOM 491 C ALA A 37 -12.796 -2.878 -3.877 1.00 0.00 C ATOM 492 O ALA A 37 -13.772 -3.278 -3.241 1.00 0.00 O ATOM 493 CB ALA A 37 -13.263 -1.863 -6.115 1.00 0.00 C ATOM 0 H ALA A 37 -11.093 -0.843 -5.526 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.616 -0.941 -4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.217 -2.391 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.361 -0.922 -6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.500 -2.479 -6.591 1.00 0.00 H new ATOM 499 N SER A 38 -11.640 -3.532 -3.912 1.00 0.00 N ATOM 500 CA SER A 38 -11.397 -4.705 -3.079 1.00 0.00 C ATOM 501 C SER A 38 -10.678 -4.316 -1.791 1.00 0.00 C ATOM 502 O SER A 38 -10.464 -5.149 -0.912 1.00 0.00 O ATOM 503 CB SER A 38 -10.593 -5.735 -3.847 1.00 0.00 C ATOM 504 OG SER A 38 -11.280 -6.207 -4.973 1.00 0.00 O ATOM 0 H SER A 38 -10.856 -3.270 -4.509 1.00 0.00 H new ATOM 0 HA SER A 38 -12.359 -5.142 -2.810 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.645 -5.296 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.356 -6.572 -3.190 1.00 0.00 H new ATOM 0 HG SER A 38 -10.909 -5.793 -5.780 1.00 0.00 H new ATOM 510 N ARG A 39 -10.309 -3.043 -1.687 1.00 0.00 N ATOM 511 CA ARG A 39 -9.688 -2.523 -0.475 1.00 0.00 C ATOM 512 C ARG A 39 -8.415 -3.295 -0.141 1.00 0.00 C ATOM 513 O ARG A 39 -8.064 -3.460 1.027 1.00 0.00 O ATOM 514 CB ARG A 39 -10.654 -2.500 0.701 1.00 0.00 C ATOM 515 CG ARG A 39 -11.814 -1.528 0.556 1.00 0.00 C ATOM 516 CD ARG A 39 -12.537 -1.246 1.822 1.00 0.00 C ATOM 517 NE ARG A 39 -13.250 -2.386 2.376 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.636 -2.495 3.663 1.00 0.00 C ATOM 519 NH1 ARG A 39 -13.349 -1.557 4.538 1.00 0.00 N ATOM 520 NH2 ARG A 39 -14.291 -3.583 4.027 1.00 0.00 N ATOM 0 H ARG A 39 -10.430 -2.353 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.411 -1.487 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.055 -3.504 0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.098 -2.248 1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.438 -0.589 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.520 -1.929 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.822 -0.886 2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.248 -0.439 1.647 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.474 -3.157 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.827 -0.731 4.247 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.649 -1.655 5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.491 -4.311 3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.596 -3.695 4.994 1.00 0.00 H new ATOM 534 N THR A 40 -7.727 -3.768 -1.177 1.00 0.00 N ATOM 535 CA THR A 40 -6.566 -4.629 -0.993 1.00 0.00 C ATOM 536 C THR A 40 -5.379 -4.131 -1.811 1.00 0.00 C ATOM 537 O THR A 40 -5.532 -3.729 -2.965 1.00 0.00 O ATOM 538 CB THR A 40 -6.875 -6.085 -1.387 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.977 -6.570 -0.609 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.662 -6.971 -1.148 1.00 0.00 C ATOM 0 H THR A 40 -7.954 -3.569 -2.151 1.00 0.00 H new ATOM 0 HA THR A 40 -6.313 -4.596 0.067 1.00 0.00 H new ATOM 0 HB THR A 40 -7.129 -6.112 -2.447 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.777 -6.039 -0.808 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.899 -7.996 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.826 -6.612 -1.748 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.391 -6.940 -0.093 1.00 0.00 H new ATOM 548 N VAL A 41 -4.196 -4.161 -1.206 1.00 0.00 N ATOM 549 CA VAL A 41 -2.983 -3.709 -1.876 1.00 0.00 C ATOM 550 C VAL A 41 -2.014 -4.864 -2.099 1.00 0.00 C ATOM 551 O VAL A 41 -1.702 -5.614 -1.174 1.00 0.00 O ATOM 552 CB VAL A 41 -2.272 -2.602 -1.074 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.005 -2.157 -1.787 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.204 -1.419 -0.858 1.00 0.00 C ATOM 0 H VAL A 41 -4.052 -4.494 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.290 -3.305 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.995 -3.006 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.516 -1.375 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.330 -3.006 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.259 -1.771 -2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.686 -0.646 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.510 -1.016 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.085 -1.746 -0.306 1.00 0.00 H new ATOM 564 N VAL A 42 -1.540 -5.004 -3.333 1.00 0.00 N ATOM 565 CA VAL A 42 -0.519 -5.992 -3.654 1.00 0.00 C ATOM 566 C VAL A 42 0.839 -5.333 -3.865 1.00 0.00 C ATOM 567 O VAL A 42 0.978 -4.419 -4.678 1.00 0.00 O ATOM 568 CB VAL A 42 -0.889 -6.799 -4.912 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.214 -7.789 -5.254 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.210 -7.525 -4.711 1.00 0.00 C ATOM 0 H VAL A 42 -1.848 -4.444 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.461 -6.671 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.000 -6.105 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.065 -8.351 -6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.142 -7.249 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.356 -8.478 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.455 -8.090 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.125 -8.208 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.998 -6.798 -4.513 1.00 0.00 H new ATOM 580 N VAL A 43 1.841 -5.802 -3.128 1.00 0.00 N ATOM 581 CA VAL A 43 3.135 -5.133 -3.082 1.00 0.00 C ATOM 582 C VAL A 43 4.246 -6.053 -3.576 1.00 0.00 C ATOM 583 O VAL A 43 4.359 -7.198 -3.141 1.00 0.00 O ATOM 584 CB VAL A 43 3.473 -4.652 -1.659 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.832 -3.966 -1.636 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.394 -3.712 -1.144 1.00 0.00 C ATOM 0 H VAL A 43 1.781 -6.643 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 43 3.065 -4.266 -3.739 1.00 0.00 H new ATOM 0 HB VAL A 43 3.515 -5.522 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.054 -3.633 -0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.599 -4.667 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.817 -3.106 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.649 -3.382 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.321 -2.846 -1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.437 -4.233 -1.123 1.00 0.00 H new ATOM 596 N GLY A 44 5.069 -5.543 -4.487 1.00 0.00 N ATOM 597 CA GLY A 44 6.180 -6.321 -5.004 1.00 0.00 C ATOM 598 C GLY A 44 7.400 -6.257 -4.107 1.00 0.00 C ATOM 599 O GLY A 44 7.280 -6.081 -2.895 1.00 0.00 O ATOM 0 H GLY A 44 4.986 -4.604 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.870 -7.360 -5.117 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.444 -5.957 -5.997 1.00 0.00 H new ATOM 603 N GLY A 45 8.579 -6.401 -4.703 1.00 0.00 N ATOM 604 CA GLY A 45 9.805 -6.436 -3.925 1.00 0.00 C ATOM 605 C GLY A 45 9.978 -5.202 -3.062 1.00 0.00 C ATOM 606 O GLY A 45 10.150 -4.097 -3.576 1.00 0.00 O ATOM 0 H GLY A 45 8.708 -6.494 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.804 -7.322 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.657 -6.527 -4.599 1.00 0.00 H new ATOM 610 N VAL A 46 9.934 -5.391 -1.747 1.00 0.00 N ATOM 611 CA VAL A 46 10.104 -4.286 -0.811 1.00 0.00 C ATOM 612 C VAL A 46 10.864 -4.734 0.433 1.00 0.00 C ATOM 613 O VAL A 46 11.158 -5.917 0.602 1.00 0.00 O ATOM 614 CB VAL A 46 8.748 -3.691 -0.388 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.068 -3.020 -1.572 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.851 -4.771 0.197 1.00 0.00 C ATOM 0 H VAL A 46 9.782 -6.298 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 46 10.679 -3.518 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 46 8.927 -2.938 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.111 -2.605 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.703 -2.219 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.902 -3.754 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.897 -4.332 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.680 -5.546 -0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.333 -5.210 1.071 1.00 0.00 H new ATOM 626 N SER A 47 11.179 -3.778 1.302 1.00 0.00 N ATOM 627 CA SER A 47 11.788 -4.090 2.592 1.00 0.00 C ATOM 628 C SER A 47 10.869 -4.971 3.429 1.00 0.00 C ATOM 629 O SER A 47 9.772 -5.330 2.998 1.00 0.00 O ATOM 630 CB SER A 47 12.119 -2.811 3.336 1.00 0.00 C ATOM 631 OG SER A 47 10.968 -2.119 3.734 1.00 0.00 O ATOM 0 H SER A 47 11.023 -2.783 1.138 1.00 0.00 H new ATOM 0 HA SER A 47 12.711 -4.641 2.412 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.720 -3.048 4.214 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.726 -2.168 2.698 1.00 0.00 H new ATOM 0 HG SER A 47 11.226 -1.303 4.211 1.00 0.00 H new ATOM 637 N ASP A 48 11.323 -5.318 4.628 1.00 0.00 N ATOM 638 CA ASP A 48 10.599 -6.257 5.478 1.00 0.00 C ATOM 639 C ASP A 48 9.094 -6.034 5.374 1.00 0.00 C ATOM 640 O ASP A 48 8.612 -4.907 5.493 1.00 0.00 O ATOM 641 CB ASP A 48 11.053 -6.123 6.934 1.00 0.00 C ATOM 642 CG ASP A 48 10.374 -7.091 7.895 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.498 -7.805 7.469 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.840 -7.220 9.002 1.00 0.00 O ATOM 0 H ASP A 48 12.189 -4.963 5.034 1.00 0.00 H new ATOM 0 HA ASP A 48 10.822 -7.266 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.131 -6.278 6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.863 -5.103 7.269 1.00 0.00 H new ATOM 649 N ALA A 49 8.355 -7.115 5.148 1.00 0.00 N ATOM 650 CA ALA A 49 6.910 -7.031 4.973 1.00 0.00 C ATOM 651 C ALA A 49 6.256 -6.316 6.150 1.00 0.00 C ATOM 652 O ALA A 49 5.232 -5.650 5.992 1.00 0.00 O ATOM 653 CB ALA A 49 6.317 -8.422 4.803 1.00 0.00 C ATOM 0 H ALA A 49 8.733 -8.060 5.082 1.00 0.00 H new ATOM 0 HA ALA A 49 6.711 -6.451 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.238 -8.344 4.673 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.754 -8.899 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.534 -9.021 5.688 1.00 0.00 H new ATOM 659 N ALA A 50 6.852 -6.457 7.329 1.00 0.00 N ATOM 660 CA ALA A 50 6.398 -5.728 8.506 1.00 0.00 C ATOM 661 C ALA A 50 6.552 -4.224 8.313 1.00 0.00 C ATOM 662 O ALA A 50 5.674 -3.447 8.691 1.00 0.00 O ATOM 663 CB ALA A 50 7.167 -6.185 9.737 1.00 0.00 C ATOM 0 H ALA A 50 7.651 -7.070 7.494 1.00 0.00 H new ATOM 0 HA ALA A 50 5.339 -5.943 8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.818 -5.633 10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.003 -7.251 9.893 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.231 -5.999 9.591 1.00 0.00 H new ATOM 669 N HIS A 51 7.672 -3.818 7.724 1.00 0.00 N ATOM 670 CA HIS A 51 7.979 -2.402 7.557 1.00 0.00 C ATOM 671 C HIS A 51 7.052 -1.764 6.526 1.00 0.00 C ATOM 672 O HIS A 51 6.563 -0.651 6.723 1.00 0.00 O ATOM 673 CB HIS A 51 9.440 -2.208 7.140 1.00 0.00 C ATOM 674 CG HIS A 51 10.423 -2.548 8.217 1.00 0.00 C ATOM 675 ND1 HIS A 51 11.776 -2.669 7.979 1.00 0.00 N ATOM 676 CD2 HIS A 51 10.249 -2.795 9.537 1.00 0.00 C ATOM 677 CE1 HIS A 51 12.392 -2.975 9.108 1.00 0.00 C ATOM 678 NE2 HIS A 51 11.488 -3.057 10.068 1.00 0.00 N ATOM 0 H HIS A 51 8.382 -4.450 7.354 1.00 0.00 H new ATOM 0 HA HIS A 51 7.822 -1.911 8.517 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.644 -2.826 6.266 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.588 -1.171 6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.311 -2.787 10.072 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.454 -3.131 9.226 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.679 -3.279 11.045 1.00 0.00 H new ATOM 685 N ILE A 52 6.816 -2.475 5.430 1.00 0.00 N ATOM 686 CA ILE A 52 6.012 -1.946 4.334 1.00 0.00 C ATOM 687 C ILE A 52 4.542 -1.854 4.727 1.00 0.00 C ATOM 688 O ILE A 52 3.808 -1.001 4.229 1.00 0.00 O ATOM 689 CB ILE A 52 6.144 -2.810 3.067 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.658 -2.036 1.840 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.366 -4.108 3.225 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.454 -0.783 1.553 1.00 0.00 C ATOM 0 H ILE A 52 7.170 -3.419 5.276 1.00 0.00 H new ATOM 0 HA ILE A 52 6.391 -0.947 4.119 1.00 0.00 H new ATOM 0 HB ILE A 52 7.196 -3.056 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.701 -2.690 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.612 -1.766 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.470 -4.707 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.757 -4.665 4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.313 -3.883 3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.050 -0.290 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.390 -0.108 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.497 -1.047 1.376 1.00 0.00 H new ATOM 704 N ALA A 53 4.119 -2.738 5.624 1.00 0.00 N ATOM 705 CA ALA A 53 2.783 -2.659 6.203 1.00 0.00 C ATOM 706 C ALA A 53 2.621 -1.393 7.040 1.00 0.00 C ATOM 707 O ALA A 53 1.578 -0.742 6.998 1.00 0.00 O ATOM 708 CB ALA A 53 2.500 -3.892 7.049 1.00 0.00 C ATOM 0 H ALA A 53 4.682 -3.517 5.966 1.00 0.00 H new ATOM 0 HA ALA A 53 2.062 -2.619 5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.499 -3.819 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.565 -4.784 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.233 -3.957 7.853 1.00 0.00 H new ATOM 714 N GLU A 54 3.657 -1.054 7.798 1.00 0.00 N ATOM 715 CA GLU A 54 3.675 0.193 8.552 1.00 0.00 C ATOM 716 C GLU A 54 3.721 1.396 7.613 1.00 0.00 C ATOM 717 O GLU A 54 3.115 2.433 7.887 1.00 0.00 O ATOM 718 CB GLU A 54 4.868 0.225 9.511 1.00 0.00 C ATOM 719 CG GLU A 54 4.761 -0.742 10.680 1.00 0.00 C ATOM 720 CD GLU A 54 6.029 -0.768 11.486 1.00 0.00 C ATOM 721 OE1 GLU A 54 6.969 -0.113 11.101 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.026 -1.350 12.545 1.00 0.00 O ATOM 0 H GLU A 54 4.495 -1.625 7.907 1.00 0.00 H new ATOM 0 HA GLU A 54 2.756 0.247 9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.775 -0.001 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.978 1.237 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.927 -0.452 11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.544 -1.743 10.308 1.00 0.00 H new ATOM 729 N ILE A 55 4.445 1.250 6.510 1.00 0.00 N ATOM 730 CA ILE A 55 4.528 2.305 5.506 1.00 0.00 C ATOM 731 C ILE A 55 3.172 2.551 4.852 1.00 0.00 C ATOM 732 O ILE A 55 2.795 3.694 4.594 1.00 0.00 O ATOM 733 CB ILE A 55 5.560 1.965 4.415 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.979 2.025 4.986 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.417 2.913 3.235 1.00 0.00 C ATOM 736 CD1 ILE A 55 8.024 1.395 4.093 1.00 0.00 C ATOM 0 H ILE A 55 4.983 0.412 6.288 1.00 0.00 H new ATOM 0 HA ILE A 55 4.846 3.209 6.025 1.00 0.00 H new ATOM 0 HB ILE A 55 5.373 0.950 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.246 3.067 5.162 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.992 1.524 5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.154 2.659 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.415 2.823 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.580 3.938 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.003 1.477 4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.783 0.344 3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.040 1.910 3.133 1.00 0.00 H new ATOM 748 N ILE A 56 2.444 1.470 4.591 1.00 0.00 N ATOM 749 CA ILE A 56 1.093 1.573 4.055 1.00 0.00 C ATOM 750 C ILE A 56 0.168 2.296 5.029 1.00 0.00 C ATOM 751 O ILE A 56 -0.607 3.169 4.637 1.00 0.00 O ATOM 752 CB ILE A 56 0.505 0.188 3.734 1.00 0.00 C ATOM 753 CG1 ILE A 56 1.221 -0.431 2.531 1.00 0.00 C ATOM 754 CG2 ILE A 56 -0.990 0.291 3.471 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.921 -1.899 2.330 1.00 0.00 C ATOM 0 H ILE A 56 2.767 0.514 4.742 1.00 0.00 H new ATOM 0 HA ILE A 56 1.164 2.148 3.132 1.00 0.00 H new ATOM 0 HB ILE A 56 0.658 -0.460 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.937 0.115 1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.296 -0.303 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.389 -0.698 3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.488 0.691 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.166 0.955 2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.464 -2.265 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.231 -2.458 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.149 -2.033 2.173 1.00 0.00 H new ATOM 767 N THR A 57 0.255 1.927 6.304 1.00 0.00 N ATOM 768 CA THR A 57 -0.548 2.562 7.341 1.00 0.00 C ATOM 769 C THR A 57 -0.069 3.984 7.612 1.00 0.00 C ATOM 770 O THR A 57 -0.834 4.829 8.076 1.00 0.00 O ATOM 771 CB THR A 57 -0.514 1.758 8.653 1.00 0.00 C ATOM 772 OG1 THR A 57 0.840 1.650 9.115 1.00 0.00 O ATOM 773 CG2 THR A 57 -1.087 0.365 8.442 1.00 0.00 C ATOM 0 H THR A 57 0.874 1.191 6.643 1.00 0.00 H new ATOM 0 HA THR A 57 -1.574 2.592 6.973 1.00 0.00 H new ATOM 0 HB THR A 57 -1.119 2.278 9.396 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.446 2.024 8.442 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.054 -0.188 9.381 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.120 0.444 8.103 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.498 -0.161 7.691 1.00 0.00 H new ATOM 781 N ALA A 58 1.201 4.241 7.320 1.00 0.00 N ATOM 782 CA ALA A 58 1.772 5.571 7.497 1.00 0.00 C ATOM 783 C ALA A 58 1.124 6.575 6.549 1.00 0.00 C ATOM 784 O ALA A 58 1.215 7.786 6.754 1.00 0.00 O ATOM 785 CB ALA A 58 3.278 5.532 7.279 1.00 0.00 C ATOM 0 H ALA A 58 1.855 3.546 6.960 1.00 0.00 H new ATOM 0 HA ALA A 58 1.573 5.893 8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.691 6.532 7.414 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.732 4.851 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.490 5.185 6.268 1.00 0.00 H new ATOM 791 N ALA A 59 0.471 6.066 5.510 1.00 0.00 N ATOM 792 CA ALA A 59 -0.211 6.917 4.543 1.00 0.00 C ATOM 793 C ALA A 59 -1.551 7.404 5.089 1.00 0.00 C ATOM 794 O ALA A 59 -2.246 8.189 4.448 1.00 0.00 O ATOM 795 CB ALA A 59 -0.413 6.172 3.233 1.00 0.00 C ATOM 0 H ALA A 59 0.400 5.067 5.316 1.00 0.00 H new ATOM 0 HA ALA A 59 0.416 7.789 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.924 6.820 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.556 5.879 2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.016 5.282 3.410 1.00 0.00 H new ATOM 801 N GLY A 60 -1.905 6.930 6.280 1.00 0.00 N ATOM 802 CA GLY A 60 -3.158 7.332 6.895 1.00 0.00 C ATOM 803 C GLY A 60 -4.288 6.370 6.590 1.00 0.00 C ATOM 804 O GLY A 60 -5.436 6.610 6.966 1.00 0.00 O ATOM 0 H GLY A 60 -1.348 6.276 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.024 7.400 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.428 8.328 6.544 1.00 0.00 H new ATOM 808 N TYR A 61 -3.965 5.279 5.904 1.00 0.00 N ATOM 809 CA TYR A 61 -4.952 4.250 5.596 1.00 0.00 C ATOM 810 C TYR A 61 -4.565 2.917 6.226 1.00 0.00 C ATOM 811 O TYR A 61 -3.557 2.311 5.857 1.00 0.00 O ATOM 812 CB TYR A 61 -5.108 4.091 4.081 1.00 0.00 C ATOM 813 CG TYR A 61 -5.553 5.352 3.376 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.900 5.639 3.216 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.626 6.251 2.868 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.315 6.789 2.573 1.00 0.00 C ATOM 817 CE2 TYR A 61 -5.028 7.405 2.223 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.374 7.670 2.076 1.00 0.00 C ATOM 819 OH TYR A 61 -6.782 8.817 1.434 1.00 0.00 O ATOM 0 H TYR A 61 -3.028 5.084 5.551 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.907 4.565 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.156 3.767 3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.831 3.300 3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.638 4.951 3.601 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.572 6.045 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.368 6.998 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.293 8.095 1.836 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.557 8.617 0.868 1.00 0.00 H new ATOM 829 N THR A 62 -5.371 2.464 7.182 1.00 0.00 N ATOM 830 CA THR A 62 -5.042 1.278 7.961 1.00 0.00 C ATOM 831 C THR A 62 -6.295 0.476 8.295 1.00 0.00 C ATOM 832 O THR A 62 -7.358 1.028 8.579 1.00 0.00 O ATOM 833 CB THR A 62 -4.314 1.643 9.268 1.00 0.00 C ATOM 834 OG1 THR A 62 -4.017 0.449 10.003 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.177 2.558 10.122 1.00 0.00 C ATOM 0 H THR A 62 -6.257 2.902 7.435 1.00 0.00 H new ATOM 0 HA THR A 62 -4.378 0.671 7.345 1.00 0.00 H new ATOM 0 HB THR A 62 -3.389 2.163 9.017 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.552 0.683 10.833 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.646 2.805 11.041 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.393 3.473 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.111 2.053 10.367 1.00 0.00 H new