USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=13 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 47 SER OG : rot 162:sc= 1.35 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 1.03 K(o=2.4,f=-3.7!) USER MOD Set 2.1: A 6 HIS : no HD1:sc= 0.72 K(o=1.5,f=-1.6!) USER MOD Set 2.2: A 40 THR OG1 : rot 62:sc= 0.799 USER MOD Set 3.1: A 12 CYS SG : rot 30:sc= -0.177 USER MOD Set 3.2: A 15 CYS SG : rot 82:sc= 0.865 USER MOD Set 3.3: A 61 TYR OH : rot -34:sc= -0.0938 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -114:sc=-0.00479 (180deg=-1.35) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.918) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -75:sc= 0.308 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= 0.0314 USER MOD Single : A 57 THR OG1 : rot 72:sc= 0.314 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.718 -9.518 -1.799 1.00 0.00 N ATOM 19 CA LEU A 3 3.070 -9.211 -0.527 1.00 0.00 C ATOM 20 C LEU A 3 1.631 -8.753 -0.747 1.00 0.00 C ATOM 21 O LEU A 3 1.338 -8.028 -1.695 1.00 0.00 O ATOM 22 CB LEU A 3 3.864 -8.140 0.230 1.00 0.00 C ATOM 23 CG LEU A 3 5.326 -8.497 0.525 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.029 -7.319 1.184 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.378 -9.726 1.421 1.00 0.00 C ATOM 0 HA LEU A 3 3.048 -10.120 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.842 -7.217 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.359 -7.936 1.174 1.00 0.00 H new ATOM 0 HG LEU A 3 5.841 -8.721 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.066 -7.583 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.999 -6.458 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.526 -7.072 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.417 -9.980 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.860 -9.516 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.894 -10.564 0.918 1.00 0.00 H new ATOM 37 N SER A 4 0.738 -9.183 0.139 1.00 0.00 N ATOM 38 CA SER A 4 -0.670 -8.813 0.046 1.00 0.00 C ATOM 39 C SER A 4 -1.137 -8.129 1.327 1.00 0.00 C ATOM 40 O SER A 4 -0.893 -8.618 2.430 1.00 0.00 O ATOM 41 CB SER A 4 -1.516 -10.038 -0.240 1.00 0.00 C ATOM 42 OG SER A 4 -2.883 -9.733 -0.291 1.00 0.00 O ATOM 0 H SER A 4 0.964 -9.787 0.929 1.00 0.00 H new ATOM 0 HA SER A 4 -0.786 -8.107 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.207 -10.478 -1.188 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.341 -10.788 0.532 1.00 0.00 H new ATOM 0 HG SER A 4 -3.393 -10.548 -0.479 1.00 0.00 H new ATOM 48 N PHE A 5 -1.811 -6.993 1.173 1.00 0.00 N ATOM 49 CA PHE A 5 -2.337 -6.254 2.315 1.00 0.00 C ATOM 50 C PHE A 5 -3.810 -5.915 2.110 1.00 0.00 C ATOM 51 O PHE A 5 -4.216 -5.489 1.029 1.00 0.00 O ATOM 52 CB PHE A 5 -1.526 -4.979 2.547 1.00 0.00 C ATOM 53 CG PHE A 5 -0.056 -5.221 2.738 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.463 -5.472 3.999 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.811 -5.198 1.656 1.00 0.00 C ATOM 56 CE1 PHE A 5 1.814 -5.694 4.178 1.00 0.00 C ATOM 57 CE2 PHE A 5 2.165 -5.422 1.831 1.00 0.00 C ATOM 58 CZ PHE A 5 2.666 -5.668 3.092 1.00 0.00 C ATOM 0 H PHE A 5 -2.006 -6.565 0.268 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.251 -6.888 3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.667 -4.310 1.698 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.917 -4.466 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.198 -5.494 4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.425 -5.003 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.204 -5.888 5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.830 -5.404 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.723 -5.840 3.230 1.00 0.00 H new ATOM 68 N HIS A 6 -4.606 -6.103 3.159 1.00 0.00 N ATOM 69 CA HIS A 6 -5.995 -5.659 3.154 1.00 0.00 C ATOM 70 C HIS A 6 -6.191 -4.482 4.107 1.00 0.00 C ATOM 71 O HIS A 6 -5.868 -4.570 5.291 1.00 0.00 O ATOM 72 CB HIS A 6 -6.935 -6.807 3.534 1.00 0.00 C ATOM 73 CG HIS A 6 -8.376 -6.408 3.605 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.146 -6.200 2.480 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.186 -6.177 4.664 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.370 -5.860 2.846 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.419 -5.838 4.165 1.00 0.00 N ATOM 0 H HIS A 6 -4.312 -6.560 4.023 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.238 -5.332 2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.825 -7.611 2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.631 -7.209 4.500 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.913 -6.246 5.707 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.190 -5.638 2.179 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.241 -5.606 4.723 1.00 0.00 H new ATOM 84 N VAL A 7 -6.723 -3.384 3.580 1.00 0.00 N ATOM 85 CA VAL A 7 -6.888 -2.165 4.363 1.00 0.00 C ATOM 86 C VAL A 7 -8.341 -1.702 4.361 1.00 0.00 C ATOM 87 O VAL A 7 -8.925 -1.464 3.306 1.00 0.00 O ATOM 88 CB VAL A 7 -5.996 -1.027 3.830 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.186 0.232 4.663 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.536 -1.450 3.831 1.00 0.00 C ATOM 0 H VAL A 7 -7.047 -3.313 2.615 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.587 -2.403 5.383 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.291 -0.810 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.549 1.026 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.228 0.547 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.917 0.027 5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.921 -0.634 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.229 -1.694 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.410 -2.326 3.194 1.00 0.00 H new ATOM 100 N GLU A 8 -8.918 -1.578 5.552 1.00 0.00 N ATOM 101 CA GLU A 8 -10.330 -1.238 5.685 1.00 0.00 C ATOM 102 C GLU A 8 -10.594 0.185 5.201 1.00 0.00 C ATOM 103 O GLU A 8 -11.646 0.472 4.630 1.00 0.00 O ATOM 104 CB GLU A 8 -10.786 -1.396 7.137 1.00 0.00 C ATOM 105 CG GLU A 8 -10.893 -2.840 7.609 1.00 0.00 C ATOM 106 CD GLU A 8 -11.993 -3.570 6.890 1.00 0.00 C ATOM 107 OE1 GLU A 8 -13.093 -3.070 6.864 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.712 -4.568 6.271 1.00 0.00 O ATOM 0 H GLU A 8 -8.430 -1.708 6.438 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.903 -1.925 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.087 -0.866 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.757 -0.915 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.945 -3.351 7.441 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.081 -2.861 8.682 1.00 0.00 H new ATOM 115 N ASP A 9 -9.633 1.071 5.436 1.00 0.00 N ATOM 116 CA ASP A 9 -9.853 2.502 5.266 1.00 0.00 C ATOM 117 C ASP A 9 -9.906 2.873 3.787 1.00 0.00 C ATOM 118 O ASP A 9 -10.375 3.950 3.422 1.00 0.00 O ATOM 119 CB ASP A 9 -8.758 3.302 5.973 1.00 0.00 C ATOM 120 CG ASP A 9 -8.853 3.293 7.493 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.872 2.892 8.002 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.857 3.535 8.132 1.00 0.00 O ATOM 0 H ASP A 9 -8.693 0.823 5.745 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.814 2.751 5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.787 2.903 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.797 4.334 5.625 1.00 0.00 H new ATOM 127 N MET A 10 -9.419 1.972 2.940 1.00 0.00 N ATOM 128 CA MET A 10 -9.387 2.215 1.501 1.00 0.00 C ATOM 129 C MET A 10 -10.800 2.292 0.932 1.00 0.00 C ATOM 130 O MET A 10 -11.636 1.427 1.197 1.00 0.00 O ATOM 131 CB MET A 10 -8.589 1.119 0.797 1.00 0.00 C ATOM 132 CG MET A 10 -7.089 1.167 1.053 1.00 0.00 C ATOM 133 SD MET A 10 -6.204 -0.190 0.262 1.00 0.00 S ATOM 134 CE MET A 10 -6.337 0.278 -1.460 1.00 0.00 C ATOM 0 H MET A 10 -9.041 1.068 3.224 1.00 0.00 H new ATOM 0 HA MET A 10 -8.897 3.173 1.326 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.968 0.148 1.117 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.764 1.192 -0.276 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.693 2.115 0.689 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.907 1.137 2.127 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.951 -0.451 -1.989 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.798 1.263 -1.535 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.343 0.307 -1.907 1.00 0.00 H new ATOM 144 N THR A 11 -11.061 3.333 0.146 1.00 0.00 N ATOM 145 CA THR A 11 -12.394 3.570 -0.391 1.00 0.00 C ATOM 146 C THR A 11 -12.364 3.689 -1.909 1.00 0.00 C ATOM 147 O THR A 11 -13.029 2.929 -2.614 1.00 0.00 O ATOM 148 CB THR A 11 -13.023 4.844 0.202 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.047 4.747 1.632 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.442 5.029 -0.313 1.00 0.00 C ATOM 0 H THR A 11 -10.365 4.025 -0.132 1.00 0.00 H new ATOM 0 HA THR A 11 -13.003 2.711 -0.110 1.00 0.00 H new ATOM 0 HB THR A 11 -12.423 5.702 -0.102 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.446 5.559 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.870 5.934 0.117 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.426 5.116 -1.399 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.048 4.170 -0.026 1.00 0.00 H new ATOM 158 N CYS A 12 -11.588 4.645 -2.408 1.00 0.00 N ATOM 159 CA CYS A 12 -11.540 4.922 -3.839 1.00 0.00 C ATOM 160 C CYS A 12 -10.101 5.125 -4.304 1.00 0.00 C ATOM 161 O CYS A 12 -9.165 5.053 -3.510 1.00 0.00 O ATOM 162 CB CYS A 12 -12.337 6.221 -3.959 1.00 0.00 C ATOM 163 SG CYS A 12 -11.616 7.626 -3.077 1.00 0.00 S ATOM 0 H CYS A 12 -10.984 5.241 -1.843 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.937 4.112 -4.450 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.430 6.479 -5.014 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.345 6.050 -3.582 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.323 7.496 -3.037 1.00 0.00 H new ATOM 169 N GLY A 13 -9.934 5.381 -5.599 1.00 0.00 N ATOM 170 CA GLY A 13 -8.604 5.498 -6.167 1.00 0.00 C ATOM 171 C GLY A 13 -7.817 6.647 -5.568 1.00 0.00 C ATOM 172 O GLY A 13 -6.590 6.681 -5.656 1.00 0.00 O ATOM 0 H GLY A 13 -10.697 5.509 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.061 4.567 -6.007 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.684 5.639 -7.245 1.00 0.00 H new ATOM 176 N HIS A 14 -8.525 7.594 -4.960 1.00 0.00 N ATOM 177 CA HIS A 14 -7.884 8.737 -4.321 1.00 0.00 C ATOM 178 C HIS A 14 -7.247 8.331 -2.995 1.00 0.00 C ATOM 179 O HIS A 14 -6.368 9.025 -2.480 1.00 0.00 O ATOM 180 CB HIS A 14 -8.891 9.870 -4.097 1.00 0.00 C ATOM 181 CG HIS A 14 -9.387 10.493 -5.365 1.00 0.00 C ATOM 182 ND1 HIS A 14 -8.595 11.294 -6.160 1.00 0.00 N ATOM 183 CD2 HIS A 14 -10.594 10.434 -5.975 1.00 0.00 C ATOM 184 CE1 HIS A 14 -9.294 11.700 -7.206 1.00 0.00 C ATOM 185 NE2 HIS A 14 -10.509 11.192 -7.116 1.00 0.00 N ATOM 0 H HIS A 14 -9.543 7.592 -4.897 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.099 9.096 -4.987 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.741 9.483 -3.536 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.427 10.640 -3.481 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.462 9.892 -5.629 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.933 12.338 -7.999 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.263 11.339 -7.787 1.00 0.00 H new ATOM 192 N CYS A 15 -7.695 7.207 -2.448 1.00 0.00 N ATOM 193 CA CYS A 15 -7.102 6.657 -1.236 1.00 0.00 C ATOM 194 C CYS A 15 -6.020 5.637 -1.573 1.00 0.00 C ATOM 195 O CYS A 15 -4.974 5.588 -0.926 1.00 0.00 O ATOM 196 CB CYS A 15 -8.290 5.978 -0.554 1.00 0.00 C ATOM 197 SG CYS A 15 -9.620 7.105 -0.068 1.00 0.00 S ATOM 0 H CYS A 15 -8.468 6.659 -2.825 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.617 7.410 -0.615 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.697 5.224 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.933 5.454 0.332 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.382 7.345 -1.094 1.00 0.00 H new ATOM 203 N ALA A 16 -6.280 4.822 -2.590 1.00 0.00 N ATOM 204 CA ALA A 16 -5.309 3.835 -3.046 1.00 0.00 C ATOM 205 C ALA A 16 -4.050 4.509 -3.582 1.00 0.00 C ATOM 206 O ALA A 16 -2.940 4.016 -3.390 1.00 0.00 O ATOM 207 CB ALA A 16 -5.926 2.940 -4.111 1.00 0.00 C ATOM 0 H ALA A 16 -7.155 4.826 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.024 3.221 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.190 2.208 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.791 2.423 -3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.240 3.548 -4.959 1.00 0.00 H new ATOM 213 N GLY A 17 -4.232 5.640 -4.257 1.00 0.00 N ATOM 214 CA GLY A 17 -3.102 6.360 -4.815 1.00 0.00 C ATOM 215 C GLY A 17 -2.136 6.839 -3.752 1.00 0.00 C ATOM 216 O GLY A 17 -0.925 6.864 -3.968 1.00 0.00 O ATOM 0 H GLY A 17 -5.141 6.070 -4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.574 5.714 -5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.466 7.216 -5.383 1.00 0.00 H new ATOM 220 N VAL A 18 -2.671 7.223 -2.597 1.00 0.00 N ATOM 221 CA VAL A 18 -1.850 7.719 -1.500 1.00 0.00 C ATOM 222 C VAL A 18 -0.911 6.635 -0.981 1.00 0.00 C ATOM 223 O VAL A 18 0.272 6.882 -0.753 1.00 0.00 O ATOM 224 CB VAL A 18 -2.715 8.238 -0.337 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.843 8.590 0.859 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.529 9.446 -0.775 1.00 0.00 C ATOM 0 H VAL A 18 -3.671 7.200 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.260 8.545 -1.897 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.404 7.447 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.471 8.955 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.302 7.703 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.131 9.364 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.134 9.799 0.060 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.856 10.241 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.181 9.165 -1.602 1.00 0.00 H new ATOM 236 N ILE A 19 -1.450 5.435 -0.796 1.00 0.00 N ATOM 237 CA ILE A 19 -0.645 4.292 -0.383 1.00 0.00 C ATOM 238 C ILE A 19 0.403 3.948 -1.436 1.00 0.00 C ATOM 239 O ILE A 19 1.561 3.684 -1.112 1.00 0.00 O ATOM 240 CB ILE A 19 -1.518 3.053 -0.114 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.395 3.275 1.121 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.649 1.817 0.061 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.471 2.229 1.301 1.00 0.00 C ATOM 0 H ILE A 19 -2.441 5.229 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.145 4.577 0.542 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.169 2.895 -0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.761 3.287 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.864 4.257 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.283 0.951 0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.067 1.650 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.027 1.964 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.051 2.454 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.129 2.231 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.010 1.247 1.404 1.00 0.00 H new ATOM 255 N LYS A 20 -0.010 3.952 -2.697 1.00 0.00 N ATOM 256 CA LYS A 20 0.896 3.662 -3.801 1.00 0.00 C ATOM 257 C LYS A 20 2.073 4.632 -3.809 1.00 0.00 C ATOM 258 O LYS A 20 3.224 4.226 -3.953 1.00 0.00 O ATOM 259 CB LYS A 20 0.152 3.722 -5.137 1.00 0.00 C ATOM 260 CG LYS A 20 0.993 3.327 -6.343 1.00 0.00 C ATOM 261 CD LYS A 20 0.160 3.310 -7.616 1.00 0.00 C ATOM 262 CE LYS A 20 0.922 2.673 -8.769 1.00 0.00 C ATOM 263 NZ LYS A 20 1.971 3.580 -9.312 1.00 0.00 N ATOM 0 H LYS A 20 -0.969 4.153 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 20 1.284 2.653 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.717 3.066 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.222 4.735 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.821 4.027 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.429 2.342 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.764 2.760 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.121 4.329 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.384 1.746 -8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.224 2.409 -9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.193 3.308 -10.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.625 4.560 -9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.829 3.506 -8.729 1.00 0.00 H new ATOM 277 N GLY A 21 1.774 5.919 -3.652 1.00 0.00 N ATOM 278 CA GLY A 21 2.818 6.926 -3.643 1.00 0.00 C ATOM 279 C GLY A 21 3.733 6.804 -2.440 1.00 0.00 C ATOM 280 O GLY A 21 4.945 6.977 -2.553 1.00 0.00 O ATOM 0 H GLY A 21 0.828 6.281 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.409 6.840 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.363 7.916 -3.650 1.00 0.00 H new ATOM 284 N ALA A 22 3.150 6.504 -1.284 1.00 0.00 N ATOM 285 CA ALA A 22 3.911 6.421 -0.044 1.00 0.00 C ATOM 286 C ALA A 22 4.958 5.315 -0.114 1.00 0.00 C ATOM 287 O ALA A 22 6.103 5.505 0.296 1.00 0.00 O ATOM 288 CB ALA A 22 2.976 6.191 1.135 1.00 0.00 C ATOM 0 H ALA A 22 2.153 6.314 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 22 4.431 7.369 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.558 6.131 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.270 7.018 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.430 5.259 0.990 1.00 0.00 H new ATOM 294 N ILE A 23 4.558 4.160 -0.636 1.00 0.00 N ATOM 295 CA ILE A 23 5.462 3.023 -0.758 1.00 0.00 C ATOM 296 C ILE A 23 6.577 3.312 -1.757 1.00 0.00 C ATOM 297 O ILE A 23 7.746 3.030 -1.496 1.00 0.00 O ATOM 298 CB ILE A 23 4.713 1.750 -1.191 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.749 1.297 -0.089 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.698 0.641 -1.529 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.785 0.220 -0.528 1.00 0.00 C ATOM 0 H ILE A 23 3.614 3.987 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 23 5.896 2.858 0.228 1.00 0.00 H new ATOM 0 HB ILE A 23 4.133 1.977 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.328 0.930 0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.181 2.159 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.151 -0.251 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.345 0.965 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.305 0.414 -0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.135 -0.049 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.180 0.589 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.343 -0.659 -0.851 1.00 0.00 H new ATOM 313 N GLU A 24 6.205 3.876 -2.903 1.00 0.00 N ATOM 314 CA GLU A 24 7.174 4.196 -3.945 1.00 0.00 C ATOM 315 C GLU A 24 8.194 5.214 -3.445 1.00 0.00 C ATOM 316 O GLU A 24 9.385 5.111 -3.738 1.00 0.00 O ATOM 317 CB GLU A 24 6.465 4.726 -5.193 1.00 0.00 C ATOM 318 CG GLU A 24 5.688 3.673 -5.971 1.00 0.00 C ATOM 319 CD GLU A 24 4.906 4.292 -7.096 1.00 0.00 C ATOM 320 OE1 GLU A 24 4.917 5.494 -7.212 1.00 0.00 O ATOM 321 OE2 GLU A 24 4.390 3.559 -7.908 1.00 0.00 O ATOM 0 H GLU A 24 5.242 4.120 -3.133 1.00 0.00 H new ATOM 0 HA GLU A 24 7.703 3.280 -4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.780 5.520 -4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.206 5.175 -5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.378 2.930 -6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.009 3.148 -5.299 1.00 0.00 H new ATOM 328 N LYS A 25 7.718 6.199 -2.691 1.00 0.00 N ATOM 329 CA LYS A 25 8.570 7.287 -2.225 1.00 0.00 C ATOM 330 C LYS A 25 9.603 6.778 -1.225 1.00 0.00 C ATOM 331 O LYS A 25 10.777 7.144 -1.288 1.00 0.00 O ATOM 332 CB LYS A 25 7.727 8.397 -1.594 1.00 0.00 C ATOM 333 CG LYS A 25 8.525 9.612 -1.140 1.00 0.00 C ATOM 334 CD LYS A 25 7.611 10.719 -0.639 1.00 0.00 C ATOM 335 CE LYS A 25 8.409 11.922 -0.158 1.00 0.00 C ATOM 336 NZ LYS A 25 7.527 13.001 0.365 1.00 0.00 N ATOM 0 H LYS A 25 6.746 6.266 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 25 9.097 7.695 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.975 8.720 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.192 7.988 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.215 9.321 -0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.129 9.983 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.935 11.024 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.992 10.342 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.102 11.609 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.010 12.311 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.109 13.802 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.883 13.318 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.972 12.638 1.166 1.00 0.00 H new ATOM 350 N THR A 26 9.161 5.931 -0.301 1.00 0.00 N ATOM 351 CA THR A 26 10.013 5.473 0.789 1.00 0.00 C ATOM 352 C THR A 26 10.753 4.197 0.408 1.00 0.00 C ATOM 353 O THR A 26 11.760 3.844 1.024 1.00 0.00 O ATOM 354 CB THR A 26 9.202 5.222 2.074 1.00 0.00 C ATOM 355 OG1 THR A 26 8.226 4.200 1.833 1.00 0.00 O ATOM 356 CG2 THR A 26 8.499 6.495 2.518 1.00 0.00 C ATOM 0 H THR A 26 8.216 5.548 -0.286 1.00 0.00 H new ATOM 0 HA THR A 26 10.736 6.266 0.978 1.00 0.00 H new ATOM 0 HB THR A 26 9.885 4.904 2.861 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.488 4.570 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.931 6.299 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.240 7.271 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.822 6.830 1.732 1.00 0.00 H new ATOM 364 N VAL A 27 10.249 3.507 -0.610 1.00 0.00 N ATOM 365 CA VAL A 27 10.907 2.311 -1.123 1.00 0.00 C ATOM 366 C VAL A 27 11.086 2.388 -2.635 1.00 0.00 C ATOM 367 O VAL A 27 10.149 2.175 -3.406 1.00 0.00 O ATOM 368 CB VAL A 27 10.115 1.037 -0.772 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.830 -0.196 -1.303 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.918 0.930 0.732 1.00 0.00 C ATOM 0 H VAL A 27 9.387 3.756 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 27 11.886 2.261 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 27 9.135 1.099 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.257 -1.087 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.923 -0.124 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.822 -0.261 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.357 0.024 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.890 0.889 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.366 1.799 1.089 1.00 0.00 H new ATOM 380 N PRO A 28 12.314 2.698 -3.071 1.00 0.00 N ATOM 381 CA PRO A 28 12.636 2.848 -4.493 1.00 0.00 C ATOM 382 C PRO A 28 12.608 1.518 -5.238 1.00 0.00 C ATOM 383 O PRO A 28 13.119 0.511 -4.750 1.00 0.00 O ATOM 384 CB PRO A 28 14.036 3.468 -4.490 1.00 0.00 C ATOM 385 CG PRO A 28 14.628 3.045 -3.190 1.00 0.00 C ATOM 386 CD PRO A 28 13.481 3.034 -2.214 1.00 0.00 C ATOM 0 HA PRO A 28 11.905 3.464 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.630 3.111 -5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.989 4.554 -4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.086 2.059 -3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.409 3.735 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.629 2.295 -1.426 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.358 4.001 -1.726 1.00 0.00 H new ATOM 394 N GLY A 29 12.005 1.520 -6.423 1.00 0.00 N ATOM 395 CA GLY A 29 11.932 0.311 -7.221 1.00 0.00 C ATOM 396 C GLY A 29 10.752 -0.564 -6.842 1.00 0.00 C ATOM 397 O GLY A 29 10.608 -1.675 -7.348 1.00 0.00 O ATOM 0 H GLY A 29 11.566 2.338 -6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.858 0.579 -8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.855 -0.257 -7.100 1.00 0.00 H new ATOM 401 N ALA A 30 9.910 -0.061 -5.947 1.00 0.00 N ATOM 402 CA ALA A 30 8.753 -0.814 -5.479 1.00 0.00 C ATOM 403 C ALA A 30 7.635 -0.801 -6.516 1.00 0.00 C ATOM 404 O ALA A 30 7.224 0.258 -6.988 1.00 0.00 O ATOM 405 CB ALA A 30 8.256 -0.251 -4.156 1.00 0.00 C ATOM 0 H ALA A 30 10.007 0.865 -5.531 1.00 0.00 H new ATOM 0 HA ALA A 30 9.061 -1.849 -5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.392 -0.823 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.049 -0.318 -3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.971 0.793 -4.289 1.00 0.00 H new ATOM 411 N ALA A 31 7.144 -1.987 -6.865 1.00 0.00 N ATOM 412 CA ALA A 31 5.962 -2.106 -7.710 1.00 0.00 C ATOM 413 C ALA A 31 4.707 -2.321 -6.870 1.00 0.00 C ATOM 414 O ALA A 31 4.584 -3.325 -6.168 1.00 0.00 O ATOM 415 CB ALA A 31 6.137 -3.243 -8.705 1.00 0.00 C ATOM 0 H ALA A 31 7.547 -2.878 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 31 5.843 -1.173 -8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.247 -3.320 -9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.005 -3.046 -9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.284 -4.179 -8.166 1.00 0.00 H new ATOM 421 N VAL A 32 3.778 -1.373 -6.948 1.00 0.00 N ATOM 422 CA VAL A 32 2.574 -1.415 -6.128 1.00 0.00 C ATOM 423 C VAL A 32 1.322 -1.496 -6.993 1.00 0.00 C ATOM 424 O VAL A 32 1.085 -0.637 -7.843 1.00 0.00 O ATOM 425 CB VAL A 32 2.474 -0.182 -5.210 1.00 0.00 C ATOM 426 CG1 VAL A 32 1.198 -0.237 -4.383 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.692 -0.092 -4.302 1.00 0.00 C ATOM 0 H VAL A 32 3.837 -0.567 -7.571 1.00 0.00 H new ATOM 0 HA VAL A 32 2.644 -2.311 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 32 2.443 0.711 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.143 0.641 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.334 -0.255 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.201 -1.137 -3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.604 0.785 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.753 -0.988 -3.685 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.593 -0.008 -4.909 1.00 0.00 H new ATOM 437 N HIS A 33 0.522 -2.534 -6.772 1.00 0.00 N ATOM 438 CA HIS A 33 -0.760 -2.673 -7.454 1.00 0.00 C ATOM 439 C HIS A 33 -1.915 -2.590 -6.461 1.00 0.00 C ATOM 440 O HIS A 33 -2.170 -3.534 -5.713 1.00 0.00 O ATOM 441 CB HIS A 33 -0.823 -3.993 -8.228 1.00 0.00 C ATOM 442 CG HIS A 33 0.287 -4.164 -9.218 1.00 0.00 C ATOM 443 ND1 HIS A 33 0.288 -3.541 -10.448 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.429 -4.887 -9.160 1.00 0.00 C ATOM 445 CE1 HIS A 33 1.386 -3.874 -11.105 1.00 0.00 C ATOM 446 NE2 HIS A 33 2.094 -4.689 -10.346 1.00 0.00 N ATOM 0 H HIS A 33 0.739 -3.292 -6.125 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.853 -1.850 -8.163 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.797 -4.821 -7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.777 -4.052 -8.752 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.756 -5.504 -8.336 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.657 -3.536 -12.094 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.990 -5.105 -10.599 1.00 0.00 H new ATOM 453 N ALA A 34 -2.609 -1.458 -6.459 1.00 0.00 N ATOM 454 CA ALA A 34 -3.618 -1.181 -5.445 1.00 0.00 C ATOM 455 C ALA A 34 -5.022 -1.236 -6.039 1.00 0.00 C ATOM 456 O ALA A 34 -5.267 -0.715 -7.127 1.00 0.00 O ATOM 457 CB ALA A 34 -3.367 0.176 -4.805 1.00 0.00 C ATOM 0 H ALA A 34 -2.491 -0.717 -7.149 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.545 -1.951 -4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.129 0.369 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.383 0.181 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.409 0.952 -5.569 1.00 0.00 H new ATOM 463 N ASP A 35 -5.940 -1.871 -5.318 1.00 0.00 N ATOM 464 CA ASP A 35 -7.342 -1.898 -5.718 1.00 0.00 C ATOM 465 C ASP A 35 -8.246 -1.497 -4.557 1.00 0.00 C ATOM 466 O ASP A 35 -8.474 -2.266 -3.622 1.00 0.00 O ATOM 467 CB ASP A 35 -7.728 -3.286 -6.234 1.00 0.00 C ATOM 468 CG ASP A 35 -9.183 -3.415 -6.664 1.00 0.00 C ATOM 469 OD1 ASP A 35 -9.957 -2.546 -6.340 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.476 -4.293 -7.440 1.00 0.00 O ATOM 0 H ASP A 35 -5.738 -2.374 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.476 -1.176 -6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.088 -3.537 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.526 -4.020 -5.453 1.00 0.00 H new ATOM 475 N PRO A 36 -8.771 -0.264 -4.613 1.00 0.00 N ATOM 476 CA PRO A 36 -9.583 0.301 -3.531 1.00 0.00 C ATOM 477 C PRO A 36 -11.005 -0.250 -3.525 1.00 0.00 C ATOM 478 O PRO A 36 -11.685 -0.227 -2.500 1.00 0.00 O ATOM 479 CB PRO A 36 -9.591 1.800 -3.839 1.00 0.00 C ATOM 480 CG PRO A 36 -9.396 1.885 -5.313 1.00 0.00 C ATOM 481 CD PRO A 36 -8.485 0.744 -5.676 1.00 0.00 C ATOM 0 HA PRO A 36 -9.180 0.056 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.531 2.261 -3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.795 2.318 -3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.348 1.807 -5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.955 2.841 -5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.702 0.355 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.438 1.047 -5.674 1.00 0.00 H new ATOM 489 N ALA A 37 -11.448 -0.744 -4.677 1.00 0.00 N ATOM 490 CA ALA A 37 -12.720 -1.451 -4.765 1.00 0.00 C ATOM 491 C ALA A 37 -12.662 -2.780 -4.020 1.00 0.00 C ATOM 492 O ALA A 37 -13.645 -3.205 -3.412 1.00 0.00 O ATOM 493 CB ALA A 37 -13.098 -1.676 -6.222 1.00 0.00 C ATOM 0 H ALA A 37 -10.945 -0.668 -5.561 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.485 -0.834 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.050 -2.205 -6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.189 -0.714 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.326 -2.270 -6.711 1.00 0.00 H new ATOM 499 N SER A 38 -11.505 -3.433 -4.072 1.00 0.00 N ATOM 500 CA SER A 38 -11.280 -4.651 -3.302 1.00 0.00 C ATOM 501 C SER A 38 -10.567 -4.338 -1.989 1.00 0.00 C ATOM 502 O SER A 38 -10.366 -5.220 -1.155 1.00 0.00 O ATOM 503 CB SER A 38 -10.477 -5.645 -4.119 1.00 0.00 C ATOM 504 OG SER A 38 -11.159 -6.049 -5.274 1.00 0.00 O ATOM 0 H SER A 38 -10.710 -3.139 -4.639 1.00 0.00 H new ATOM 0 HA SER A 38 -12.248 -5.093 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.524 -5.197 -4.399 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.251 -6.518 -3.507 1.00 0.00 H new ATOM 0 HG SER A 38 -10.773 -5.601 -6.055 1.00 0.00 H new ATOM 510 N ARG A 39 -10.187 -3.076 -1.815 1.00 0.00 N ATOM 511 CA ARG A 39 -9.532 -2.639 -0.589 1.00 0.00 C ATOM 512 C ARG A 39 -8.264 -3.447 -0.330 1.00 0.00 C ATOM 513 O ARG A 39 -7.900 -3.703 0.817 1.00 0.00 O ATOM 514 CB ARG A 39 -10.469 -2.670 0.609 1.00 0.00 C ATOM 515 CG ARG A 39 -11.625 -1.685 0.542 1.00 0.00 C ATOM 516 CD ARG A 39 -12.333 -1.482 1.832 1.00 0.00 C ATOM 517 NE ARG A 39 -13.034 -2.656 2.324 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.520 -2.789 3.575 1.00 0.00 C ATOM 519 NH1 ARG A 39 -13.349 -1.843 4.472 1.00 0.00 N ATOM 520 NH2 ARG A 39 -14.150 -3.909 3.884 1.00 0.00 N ATOM 0 H ARG A 39 -10.322 -2.339 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.245 -1.597 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.874 -3.677 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.890 -2.468 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.248 -0.724 0.193 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.342 -2.035 -0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.610 -1.164 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.049 -0.669 1.715 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.168 -3.434 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.842 -0.993 4.226 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.723 -1.960 5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.258 -4.643 3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.529 -4.039 4.822 1.00 0.00 H new ATOM 534 N THR A 40 -7.595 -3.849 -1.408 1.00 0.00 N ATOM 535 CA THR A 40 -6.453 -4.750 -1.307 1.00 0.00 C ATOM 536 C THR A 40 -5.264 -4.220 -2.098 1.00 0.00 C ATOM 537 O THR A 40 -5.418 -3.724 -3.215 1.00 0.00 O ATOM 538 CB THR A 40 -6.804 -6.162 -1.808 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.896 -6.688 -1.044 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.605 -7.089 -1.675 1.00 0.00 C ATOM 0 H THR A 40 -7.825 -3.565 -2.360 1.00 0.00 H new ATOM 0 HA THR A 40 -6.187 -4.806 -0.252 1.00 0.00 H new ATOM 0 HB THR A 40 -7.086 -6.097 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.685 -6.120 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.872 -8.083 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.777 -6.700 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.306 -7.149 -0.629 1.00 0.00 H new ATOM 548 N VAL A 41 -4.074 -4.325 -1.513 1.00 0.00 N ATOM 549 CA VAL A 41 -2.854 -3.885 -2.177 1.00 0.00 C ATOM 550 C VAL A 41 -1.872 -5.039 -2.345 1.00 0.00 C ATOM 551 O VAL A 41 -1.558 -5.746 -1.387 1.00 0.00 O ATOM 552 CB VAL A 41 -2.166 -2.748 -1.399 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.890 -2.314 -2.106 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.110 -1.566 -1.236 1.00 0.00 C ATOM 0 H VAL A 41 -3.930 -4.711 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.147 -3.515 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.903 -3.120 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.417 -1.510 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.206 -3.160 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.132 -1.961 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.607 -0.772 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.402 -1.196 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.998 -1.882 -0.689 1.00 0.00 H new ATOM 564 N VAL A 42 -1.389 -5.226 -3.570 1.00 0.00 N ATOM 565 CA VAL A 42 -0.369 -6.230 -3.845 1.00 0.00 C ATOM 566 C VAL A 42 0.960 -5.579 -4.208 1.00 0.00 C ATOM 567 O VAL A 42 1.036 -4.771 -5.135 1.00 0.00 O ATOM 568 CB VAL A 42 -0.797 -7.171 -4.987 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.300 -8.183 -5.283 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.094 -7.883 -4.633 1.00 0.00 C ATOM 0 H VAL A 42 -1.688 -4.695 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.247 -6.813 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.965 -6.572 -5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.019 -8.840 -6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.209 -7.659 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.498 -8.777 -4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.381 -8.544 -5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.951 -8.470 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.880 -7.146 -4.468 1.00 0.00 H new ATOM 580 N VAL A 43 2.008 -5.934 -3.472 1.00 0.00 N ATOM 581 CA VAL A 43 3.296 -5.263 -3.601 1.00 0.00 C ATOM 582 C VAL A 43 4.387 -6.244 -4.016 1.00 0.00 C ATOM 583 O VAL A 43 4.505 -7.333 -3.456 1.00 0.00 O ATOM 584 CB VAL A 43 3.710 -4.576 -2.286 1.00 0.00 C ATOM 585 CG1 VAL A 43 5.035 -3.848 -2.460 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.630 -3.610 -1.827 1.00 0.00 C ATOM 0 H VAL A 43 1.990 -6.683 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 43 3.180 -4.504 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 43 3.835 -5.343 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.313 -3.368 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.808 -4.562 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.935 -3.092 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.939 -3.134 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.475 -2.848 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.700 -4.155 -1.664 1.00 0.00 H new ATOM 596 N GLY A 44 5.185 -5.851 -5.004 1.00 0.00 N ATOM 597 CA GLY A 44 6.259 -6.705 -5.476 1.00 0.00 C ATOM 598 C GLY A 44 7.437 -6.738 -4.522 1.00 0.00 C ATOM 599 O GLY A 44 7.306 -6.387 -3.350 1.00 0.00 O ATOM 0 H GLY A 44 5.107 -4.956 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.880 -7.717 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.596 -6.354 -6.452 1.00 0.00 H new ATOM 603 N GLY A 45 8.593 -7.161 -5.025 1.00 0.00 N ATOM 604 CA GLY A 45 9.766 -7.290 -4.181 1.00 0.00 C ATOM 605 C GLY A 45 10.114 -5.997 -3.470 1.00 0.00 C ATOM 606 O GLY A 45 10.513 -5.019 -4.105 1.00 0.00 O ATOM 0 H GLY A 45 8.738 -7.417 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.594 -8.072 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.614 -7.607 -4.788 1.00 0.00 H new ATOM 610 N VAL A 46 9.962 -5.989 -2.149 1.00 0.00 N ATOM 611 CA VAL A 46 10.211 -4.790 -1.359 1.00 0.00 C ATOM 612 C VAL A 46 10.774 -5.144 0.013 1.00 0.00 C ATOM 613 O VAL A 46 10.927 -6.319 0.348 1.00 0.00 O ATOM 614 CB VAL A 46 8.929 -3.956 -1.179 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.466 -3.395 -2.516 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.830 -4.796 -0.547 1.00 0.00 C ATOM 0 H VAL A 46 9.668 -6.800 -1.604 1.00 0.00 H new ATOM 0 HA VAL A 46 10.943 -4.197 -1.907 1.00 0.00 H new ATOM 0 HB VAL A 46 9.152 -3.123 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.559 -2.808 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.246 -2.759 -2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.261 -4.216 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.932 -4.190 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.609 -5.649 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.160 -5.152 0.429 1.00 0.00 H new ATOM 626 N SER A 47 11.079 -4.121 0.804 1.00 0.00 N ATOM 627 CA SER A 47 11.542 -4.323 2.172 1.00 0.00 C ATOM 628 C SER A 47 10.503 -5.081 2.992 1.00 0.00 C ATOM 629 O SER A 47 9.360 -5.247 2.564 1.00 0.00 O ATOM 630 CB SER A 47 11.861 -2.991 2.821 1.00 0.00 C ATOM 631 OG SER A 47 10.710 -2.226 3.046 1.00 0.00 O ATOM 0 H SER A 47 11.014 -3.143 0.521 1.00 0.00 H new ATOM 0 HA SER A 47 12.451 -4.923 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.372 -3.163 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.548 -2.433 2.184 1.00 0.00 H new ATOM 0 HG SER A 47 10.907 -1.524 3.701 1.00 0.00 H new ATOM 637 N ASP A 48 10.906 -5.536 4.173 1.00 0.00 N ATOM 638 CA ASP A 48 10.070 -6.416 4.980 1.00 0.00 C ATOM 639 C ASP A 48 8.617 -5.950 4.964 1.00 0.00 C ATOM 640 O ASP A 48 8.337 -4.753 5.037 1.00 0.00 O ATOM 641 CB ASP A 48 10.589 -6.482 6.419 1.00 0.00 C ATOM 642 CG ASP A 48 9.971 -7.590 7.261 1.00 0.00 C ATOM 643 OD1 ASP A 48 8.792 -7.528 7.517 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.641 -8.564 7.508 1.00 0.00 O ATOM 0 H ASP A 48 11.808 -5.310 4.593 1.00 0.00 H new ATOM 0 HA ASP A 48 10.116 -7.415 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.670 -6.620 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.400 -5.525 6.905 1.00 0.00 H new ATOM 649 N ALA A 49 7.697 -6.903 4.868 1.00 0.00 N ATOM 650 CA ALA A 49 6.275 -6.588 4.792 1.00 0.00 C ATOM 651 C ALA A 49 5.842 -5.719 5.967 1.00 0.00 C ATOM 652 O ALA A 49 4.950 -4.882 5.837 1.00 0.00 O ATOM 653 CB ALA A 49 5.452 -7.867 4.746 1.00 0.00 C ATOM 0 H ALA A 49 7.910 -7.900 4.841 1.00 0.00 H new ATOM 0 HA ALA A 49 6.101 -6.025 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.393 -7.616 4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.734 -8.450 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.639 -8.452 5.646 1.00 0.00 H new ATOM 659 N ALA A 50 6.480 -5.925 7.116 1.00 0.00 N ATOM 660 CA ALA A 50 6.200 -5.121 8.298 1.00 0.00 C ATOM 661 C ALA A 50 6.476 -3.644 8.036 1.00 0.00 C ATOM 662 O ALA A 50 5.709 -2.775 8.453 1.00 0.00 O ATOM 663 CB ALA A 50 7.026 -5.612 9.477 1.00 0.00 C ATOM 0 H ALA A 50 7.193 -6.641 7.252 1.00 0.00 H new ATOM 0 HA ALA A 50 5.142 -5.229 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.807 -5.002 10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.778 -6.652 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.086 -5.534 9.236 1.00 0.00 H new ATOM 669 N HIS A 51 7.575 -3.365 7.342 1.00 0.00 N ATOM 670 CA HIS A 51 7.914 -1.999 6.962 1.00 0.00 C ATOM 671 C HIS A 51 6.869 -1.424 6.012 1.00 0.00 C ATOM 672 O HIS A 51 6.481 -0.261 6.130 1.00 0.00 O ATOM 673 CB HIS A 51 9.302 -1.943 6.315 1.00 0.00 C ATOM 674 CG HIS A 51 9.783 -0.552 6.042 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.733 -0.267 5.084 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.445 0.635 6.601 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.960 1.035 5.066 1.00 0.00 C ATOM 678 NE2 HIS A 51 10.191 1.604 5.976 1.00 0.00 N ATOM 0 H HIS A 51 8.246 -4.068 7.031 1.00 0.00 H new ATOM 0 HA HIS A 51 7.928 -1.394 7.869 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.018 -2.444 6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.279 -2.500 5.379 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.724 0.790 7.390 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.656 1.546 4.417 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.157 2.602 6.182 1.00 0.00 H new ATOM 685 N ILE A 52 6.419 -2.244 5.068 1.00 0.00 N ATOM 686 CA ILE A 52 5.405 -1.823 4.109 1.00 0.00 C ATOM 687 C ILE A 52 4.081 -1.525 4.805 1.00 0.00 C ATOM 688 O ILE A 52 3.377 -0.583 4.445 1.00 0.00 O ATOM 689 CB ILE A 52 5.177 -2.890 3.024 1.00 0.00 C ATOM 690 CG1 ILE A 52 6.461 -3.120 2.222 1.00 0.00 C ATOM 691 CG2 ILE A 52 4.039 -2.478 2.104 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.947 -1.893 1.484 1.00 0.00 C ATOM 0 H ILE A 52 6.741 -3.204 4.947 1.00 0.00 H new ATOM 0 HA ILE A 52 5.776 -0.914 3.636 1.00 0.00 H new ATOM 0 HB ILE A 52 4.903 -3.826 3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.245 -3.460 2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.291 -3.921 1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.891 -3.244 1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.124 -2.363 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.284 -1.531 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.860 -2.134 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.181 -1.564 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.151 -1.095 2.199 1.00 0.00 H new ATOM 704 N ALA A 53 3.750 -2.335 5.805 1.00 0.00 N ATOM 705 CA ALA A 53 2.537 -2.127 6.586 1.00 0.00 C ATOM 706 C ALA A 53 2.608 -0.819 7.370 1.00 0.00 C ATOM 707 O ALA A 53 1.609 -0.112 7.503 1.00 0.00 O ATOM 708 CB ALA A 53 2.310 -3.298 7.530 1.00 0.00 C ATOM 0 H ALA A 53 4.305 -3.141 6.093 1.00 0.00 H new ATOM 0 HA ALA A 53 1.696 -2.063 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.401 -3.129 8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.208 -4.217 6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.159 -3.388 8.208 1.00 0.00 H new ATOM 714 N GLU A 54 3.791 -0.507 7.886 1.00 0.00 N ATOM 715 CA GLU A 54 4.015 0.762 8.568 1.00 0.00 C ATOM 716 C GLU A 54 3.916 1.930 7.591 1.00 0.00 C ATOM 717 O GLU A 54 3.421 3.004 7.938 1.00 0.00 O ATOM 718 CB GLU A 54 5.380 0.768 9.261 1.00 0.00 C ATOM 719 CG GLU A 54 5.463 -0.123 10.493 1.00 0.00 C ATOM 720 CD GLU A 54 6.858 -0.149 11.054 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.727 0.445 10.463 1.00 0.00 O ATOM 722 OE2 GLU A 54 7.033 -0.667 12.132 1.00 0.00 O ATOM 0 H GLU A 54 4.609 -1.115 7.845 1.00 0.00 H new ATOM 0 HA GLU A 54 3.238 0.879 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.139 0.450 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.623 1.791 9.550 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.770 0.238 11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.154 -1.136 10.234 1.00 0.00 H new ATOM 729 N ILE A 55 4.391 1.713 6.369 1.00 0.00 N ATOM 730 CA ILE A 55 4.263 2.708 5.312 1.00 0.00 C ATOM 731 C ILE A 55 2.800 2.940 4.948 1.00 0.00 C ATOM 732 O ILE A 55 2.367 4.080 4.771 1.00 0.00 O ATOM 733 CB ILE A 55 5.038 2.294 4.049 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.546 2.342 4.307 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.667 3.191 2.878 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.370 1.641 3.252 1.00 0.00 C ATOM 0 H ILE A 55 4.868 0.857 6.087 1.00 0.00 H new ATOM 0 HA ILE A 55 4.689 3.634 5.699 1.00 0.00 H new ATOM 0 HB ILE A 55 4.765 1.270 3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.861 3.384 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.753 1.889 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.225 2.884 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.598 3.108 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.912 4.225 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.427 1.719 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.084 0.590 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.194 2.108 2.283 1.00 0.00 H new ATOM 748 N ILE A 56 2.045 1.853 4.841 1.00 0.00 N ATOM 749 CA ILE A 56 0.612 1.941 4.587 1.00 0.00 C ATOM 750 C ILE A 56 -0.099 2.697 5.704 1.00 0.00 C ATOM 751 O ILE A 56 -0.987 3.512 5.450 1.00 0.00 O ATOM 752 CB ILE A 56 -0.023 0.547 4.437 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.474 -0.132 3.158 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.540 0.651 4.434 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.140 -1.604 3.077 1.00 0.00 C ATOM 0 H ILE A 56 2.401 0.901 4.926 1.00 0.00 H new ATOM 0 HA ILE A 56 0.492 2.485 3.650 1.00 0.00 H new ATOM 0 HB ILE A 56 0.277 -0.064 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.041 0.377 2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.555 -0.010 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.973 -0.344 4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.876 1.094 5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.860 1.277 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.525 -2.014 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.595 -2.127 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.942 -1.734 3.112 1.00 0.00 H new ATOM 767 N THR A 57 0.298 2.422 6.943 1.00 0.00 N ATOM 768 CA THR A 57 -0.192 3.180 8.088 1.00 0.00 C ATOM 769 C THR A 57 0.242 4.639 8.006 1.00 0.00 C ATOM 770 O THR A 57 -0.515 5.542 8.365 1.00 0.00 O ATOM 771 CB THR A 57 0.306 2.579 9.416 1.00 0.00 C ATOM 772 OG1 THR A 57 -0.189 1.241 9.554 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.174 3.417 10.593 1.00 0.00 C ATOM 0 H THR A 57 0.957 1.680 7.179 1.00 0.00 H new ATOM 0 HA THR A 57 -1.280 3.126 8.061 1.00 0.00 H new ATOM 0 HB THR A 57 1.396 2.571 9.408 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.284 0.651 8.931 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.187 2.978 11.523 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.211 4.432 10.498 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.264 3.441 10.602 1.00 0.00 H new ATOM 781 N ALA A 58 1.463 4.864 7.533 1.00 0.00 N ATOM 782 CA ALA A 58 1.985 6.216 7.376 1.00 0.00 C ATOM 783 C ALA A 58 1.188 6.994 6.332 1.00 0.00 C ATOM 784 O ALA A 58 1.168 8.223 6.343 1.00 0.00 O ATOM 785 CB ALA A 58 3.457 6.171 6.994 1.00 0.00 C ATOM 0 H ALA A 58 2.110 4.127 7.252 1.00 0.00 H new ATOM 0 HA ALA A 58 1.884 6.732 8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.834 7.187 6.880 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.020 5.660 7.775 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.572 5.633 6.053 1.00 0.00 H new ATOM 791 N ALA A 59 0.536 6.267 5.431 1.00 0.00 N ATOM 792 CA ALA A 59 -0.320 6.886 4.426 1.00 0.00 C ATOM 793 C ALA A 59 -1.670 7.276 5.019 1.00 0.00 C ATOM 794 O ALA A 59 -2.485 7.919 4.361 1.00 0.00 O ATOM 795 CB ALA A 59 -0.512 5.946 3.246 1.00 0.00 C ATOM 0 H ALA A 59 0.584 5.250 5.376 1.00 0.00 H new ATOM 0 HA ALA A 59 0.170 7.795 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.153 6.421 2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.456 5.721 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.977 5.022 3.589 1.00 0.00 H new ATOM 801 N GLY A 60 -1.898 6.882 6.269 1.00 0.00 N ATOM 802 CA GLY A 60 -3.112 7.277 6.961 1.00 0.00 C ATOM 803 C GLY A 60 -4.226 6.262 6.802 1.00 0.00 C ATOM 804 O GLY A 60 -5.371 6.524 7.173 1.00 0.00 O ATOM 0 H GLY A 60 -1.265 6.297 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.895 7.411 8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.446 8.242 6.580 1.00 0.00 H new ATOM 808 N TYR A 61 -3.892 5.100 6.250 1.00 0.00 N ATOM 809 CA TYR A 61 -4.877 4.048 6.027 1.00 0.00 C ATOM 810 C TYR A 61 -4.468 2.761 6.735 1.00 0.00 C ATOM 811 O TYR A 61 -3.351 2.269 6.563 1.00 0.00 O ATOM 812 CB TYR A 61 -5.059 3.791 4.529 1.00 0.00 C ATOM 813 CG TYR A 61 -5.501 5.009 3.748 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.847 5.312 3.606 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.573 5.850 3.154 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.257 6.422 2.894 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.971 6.964 2.440 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.316 7.246 2.311 1.00 0.00 C ATOM 819 OH TYR A 61 -6.719 8.353 1.600 1.00 0.00 O ATOM 0 H TYR A 61 -2.947 4.863 5.949 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.827 4.383 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.118 3.428 4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.794 2.998 4.393 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.587 4.669 4.060 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.520 5.631 3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.309 6.644 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.234 7.610 1.986 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.565 8.159 1.144 1.00 0.00 H new ATOM 829 N THR A 62 -5.380 2.217 7.535 1.00 0.00 N ATOM 830 CA THR A 62 -5.112 0.994 8.281 1.00 0.00 C ATOM 831 C THR A 62 -6.397 0.216 8.540 1.00 0.00 C ATOM 832 O THR A 62 -7.449 0.788 8.828 1.00 0.00 O ATOM 833 CB THR A 62 -4.421 1.292 9.625 1.00 0.00 C ATOM 834 OG1 THR A 62 -4.214 0.068 10.341 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.275 2.229 10.467 1.00 0.00 C ATOM 0 H THR A 62 -6.312 2.605 7.683 1.00 0.00 H new ATOM 0 HA THR A 62 -4.443 0.390 7.667 1.00 0.00 H new ATOM 0 HB THR A 62 -3.462 1.771 9.425 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.773 0.259 11.195 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.772 2.429 11.413 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.424 3.166 9.930 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.242 1.764 10.661 1.00 0.00 H new