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 158:sc= 1.26 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 1.06 K(o=2.3,f=-3.7!) USER MOD Set 2.1: A 38 SER OG : rot -6:sc= 0.846 USER MOD Set 2.2: A 40 THR OG1 : rot -82:sc= 1.01 USER MOD Set 3.1: A 12 CYS SG : rot 180:sc= -0.0361 USER MOD Set 3.2: A 15 CYS SG : rot 88:sc= 2.07 USER MOD Set 3.3: A 61 TYR OH : rot -23:sc= -0.362 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0.847 K(o=0.85,f=-3.6!) USER MOD Single : A 10 MET CE :methyl -160:sc= -1.13 (180deg=-1.68) USER MOD Single : A 11 THR OG1 : rot 61:sc= 0.423 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 2.19 (180deg=0.995) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -78:sc= 0.62 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 72:sc= 0.0592 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 3 3.545 -9.601 -1.850 1.00 0.00 N ATOM 19 CA LEU A 3 2.945 -9.052 -0.638 1.00 0.00 C ATOM 20 C LEU A 3 1.469 -8.733 -0.856 1.00 0.00 C ATOM 21 O LEU A 3 1.091 -8.180 -1.887 1.00 0.00 O ATOM 22 CB LEU A 3 3.703 -7.796 -0.190 1.00 0.00 C ATOM 23 CG LEU A 3 4.974 -8.057 0.629 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.977 -8.844 -0.203 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.569 -6.732 1.081 1.00 0.00 C ATOM 0 HA LEU A 3 3.017 -9.804 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.972 -7.219 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.029 -7.176 0.402 1.00 0.00 H new ATOM 0 HG LEU A 3 4.724 -8.647 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.876 -9.025 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.538 -9.797 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.236 -8.274 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.472 -6.918 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.818 -6.128 0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.844 -6.199 1.696 1.00 0.00 H new ATOM 37 N SER A 4 0.643 -9.086 0.122 1.00 0.00 N ATOM 38 CA SER A 4 -0.789 -8.814 0.049 1.00 0.00 C ATOM 39 C SER A 4 -1.282 -8.153 1.331 1.00 0.00 C ATOM 40 O SER A 4 -1.027 -8.640 2.433 1.00 0.00 O ATOM 41 CB SER A 4 -1.553 -10.097 -0.215 1.00 0.00 C ATOM 42 OG SER A 4 -2.936 -9.882 -0.282 1.00 0.00 O ATOM 0 H SER A 4 0.939 -9.561 0.975 1.00 0.00 H new ATOM 0 HA SER A 4 -0.966 -8.125 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.209 -10.537 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.336 -10.817 0.574 1.00 0.00 H new ATOM 0 HG SER A 4 -3.391 -10.732 -0.455 1.00 0.00 H new ATOM 48 N PHE A 5 -1.991 -7.038 1.179 1.00 0.00 N ATOM 49 CA PHE A 5 -2.569 -6.338 2.322 1.00 0.00 C ATOM 50 C PHE A 5 -4.054 -6.076 2.105 1.00 0.00 C ATOM 51 O PHE A 5 -4.485 -5.754 0.996 1.00 0.00 O ATOM 52 CB PHE A 5 -1.830 -5.022 2.573 1.00 0.00 C ATOM 53 CG PHE A 5 -0.359 -5.191 2.825 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.117 -5.432 4.105 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.553 -5.109 1.783 1.00 0.00 C ATOM 56 CE1 PHE A 5 1.470 -5.587 4.340 1.00 0.00 C ATOM 57 CE2 PHE A 5 1.906 -5.264 2.014 1.00 0.00 C ATOM 58 CZ PHE A 5 2.365 -5.502 3.291 1.00 0.00 C ATOM 0 H PHE A 5 -2.179 -6.600 0.277 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.459 -6.975 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.969 -4.368 1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.281 -4.521 3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.578 -5.499 4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.201 -4.922 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.827 -5.774 5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.605 -5.199 1.193 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.423 -5.622 3.472 1.00 0.00 H new ATOM 68 N HIS A 6 -4.837 -6.216 3.170 1.00 0.00 N ATOM 69 CA HIS A 6 -6.242 -5.823 3.145 1.00 0.00 C ATOM 70 C HIS A 6 -6.481 -4.607 4.034 1.00 0.00 C ATOM 71 O HIS A 6 -6.230 -4.646 5.239 1.00 0.00 O ATOM 72 CB HIS A 6 -7.138 -6.984 3.587 1.00 0.00 C ATOM 73 CG HIS A 6 -8.600 -6.663 3.547 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.310 -6.572 2.368 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.485 -6.411 4.540 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.570 -6.279 2.638 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.702 -6.175 3.949 1.00 0.00 N ATOM 0 H HIS A 6 -4.522 -6.599 4.062 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.497 -5.557 2.119 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.946 -7.844 2.946 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.866 -7.276 4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.273 -6.398 5.599 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.358 -6.147 1.911 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.567 -5.955 4.442 1.00 0.00 H new ATOM 84 N VAL A 7 -6.966 -3.525 3.432 1.00 0.00 N ATOM 85 CA VAL A 7 -7.150 -2.269 4.149 1.00 0.00 C ATOM 86 C VAL A 7 -8.581 -1.763 4.013 1.00 0.00 C ATOM 87 O VAL A 7 -8.994 -1.320 2.943 1.00 0.00 O ATOM 88 CB VAL A 7 -6.180 -1.184 3.642 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.393 0.117 4.404 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.740 -1.650 3.779 1.00 0.00 C ATOM 0 H VAL A 7 -7.238 -3.494 2.450 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.938 -2.470 5.199 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.385 -1.005 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.700 0.873 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.417 0.461 4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.214 -0.050 5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.069 -0.871 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.523 -1.857 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.594 -2.557 3.192 1.00 0.00 H new ATOM 100 N GLU A 8 -9.334 -1.832 5.107 1.00 0.00 N ATOM 101 CA GLU A 8 -10.744 -1.461 5.088 1.00 0.00 C ATOM 102 C GLU A 8 -10.911 0.028 4.798 1.00 0.00 C ATOM 103 O GLU A 8 -11.914 0.451 4.223 1.00 0.00 O ATOM 104 CB GLU A 8 -11.412 -1.818 6.417 1.00 0.00 C ATOM 105 CG GLU A 8 -11.601 -3.312 6.645 1.00 0.00 C ATOM 106 CD GLU A 8 -12.663 -3.872 5.739 1.00 0.00 C ATOM 107 OE1 GLU A 8 -13.314 -3.105 5.073 1.00 0.00 O ATOM 108 OE2 GLU A 8 -12.747 -5.072 5.629 1.00 0.00 O ATOM 0 H GLU A 8 -8.991 -2.141 6.017 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.229 -2.023 4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.813 -1.411 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.385 -1.330 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.659 -3.831 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.875 -3.492 7.685 1.00 0.00 H new ATOM 115 N ASP A 9 -9.920 0.817 5.199 1.00 0.00 N ATOM 116 CA ASP A 9 -10.004 2.268 5.083 1.00 0.00 C ATOM 117 C ASP A 9 -10.014 2.697 3.618 1.00 0.00 C ATOM 118 O ASP A 9 -10.487 3.782 3.283 1.00 0.00 O ATOM 119 CB ASP A 9 -8.840 2.935 5.820 1.00 0.00 C ATOM 120 CG ASP A 9 -8.951 2.893 7.338 1.00 0.00 C ATOM 121 OD1 ASP A 9 -10.005 2.560 7.829 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.946 3.038 7.991 1.00 0.00 O ATOM 0 H ASP A 9 -9.050 0.476 5.607 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.939 2.589 5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.911 2.449 5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.772 3.975 5.501 1.00 0.00 H new ATOM 127 N MET A 10 -9.487 1.838 2.753 1.00 0.00 N ATOM 128 CA MET A 10 -9.447 2.122 1.322 1.00 0.00 C ATOM 129 C MET A 10 -10.857 2.256 0.756 1.00 0.00 C ATOM 130 O MET A 10 -11.728 1.428 1.027 1.00 0.00 O ATOM 131 CB MET A 10 -8.681 1.025 0.585 1.00 0.00 C ATOM 132 CG MET A 10 -7.174 1.056 0.802 1.00 0.00 C ATOM 133 SD MET A 10 -6.317 -0.259 -0.089 1.00 0.00 S ATOM 134 CE MET A 10 -6.573 0.258 -1.783 1.00 0.00 C ATOM 0 H MET A 10 -9.082 0.940 3.017 1.00 0.00 H new ATOM 0 HA MET A 10 -8.929 3.070 1.176 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.062 0.055 0.905 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.884 1.111 -0.482 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.784 2.022 0.480 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.962 0.966 1.867 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.430 -0.593 -2.449 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.587 0.641 -1.897 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.859 1.041 -2.036 1.00 0.00 H new ATOM 144 N THR A 11 -11.076 3.303 -0.033 1.00 0.00 N ATOM 145 CA THR A 11 -12.423 3.689 -0.436 1.00 0.00 C ATOM 146 C THR A 11 -12.472 4.048 -1.916 1.00 0.00 C ATOM 147 O THR A 11 -13.408 3.672 -2.625 1.00 0.00 O ATOM 148 CB THR A 11 -12.941 4.881 0.389 1.00 0.00 C ATOM 149 OG1 THR A 11 -12.946 4.537 1.780 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.350 5.257 -0.042 1.00 0.00 C ATOM 0 H THR A 11 -10.337 3.899 -0.406 1.00 0.00 H new ATOM 0 HA THR A 11 -13.065 2.827 -0.252 1.00 0.00 H new ATOM 0 HB THR A 11 -12.282 5.733 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.034 4.322 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.699 6.101 0.552 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.347 5.532 -1.097 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.016 4.407 0.109 1.00 0.00 H new ATOM 158 N CYS A 12 -11.461 4.774 -2.378 1.00 0.00 N ATOM 159 CA CYS A 12 -11.449 5.289 -3.744 1.00 0.00 C ATOM 160 C CYS A 12 -10.034 5.290 -4.312 1.00 0.00 C ATOM 161 O CYS A 12 -9.064 5.062 -3.590 1.00 0.00 O ATOM 162 CB CYS A 12 -11.963 6.718 -3.572 1.00 0.00 C ATOM 163 SG CYS A 12 -10.920 7.770 -2.536 1.00 0.00 S ATOM 0 H CYS A 12 -10.638 5.020 -1.828 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.046 4.693 -4.435 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.057 7.178 -4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -12.963 6.681 -3.140 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.444 8.957 -2.457 1.00 0.00 H new ATOM 169 N GLY A 13 -9.925 5.547 -5.611 1.00 0.00 N ATOM 170 CA GLY A 13 -8.635 5.494 -6.272 1.00 0.00 C ATOM 171 C GLY A 13 -7.629 6.452 -5.662 1.00 0.00 C ATOM 172 O GLY A 13 -6.422 6.219 -5.724 1.00 0.00 O ATOM 0 H GLY A 13 -10.708 5.791 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.244 4.478 -6.217 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.762 5.730 -7.329 1.00 0.00 H new ATOM 176 N HIS A 14 -8.129 7.532 -5.071 1.00 0.00 N ATOM 177 CA HIS A 14 -7.273 8.489 -4.378 1.00 0.00 C ATOM 178 C HIS A 14 -6.513 7.815 -3.241 1.00 0.00 C ATOM 179 O HIS A 14 -5.302 7.988 -3.102 1.00 0.00 O ATOM 180 CB HIS A 14 -8.097 9.663 -3.838 1.00 0.00 C ATOM 181 CG HIS A 14 -7.289 10.659 -3.065 1.00 0.00 C ATOM 182 ND1 HIS A 14 -6.426 11.547 -3.671 1.00 0.00 N ATOM 183 CD2 HIS A 14 -7.212 10.905 -1.736 1.00 0.00 C ATOM 184 CE1 HIS A 14 -5.853 12.299 -2.745 1.00 0.00 C ATOM 185 NE2 HIS A 14 -6.313 11.928 -1.564 1.00 0.00 N ATOM 0 H HIS A 14 -9.122 7.767 -5.058 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.550 8.872 -5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.581 10.170 -4.673 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.889 9.275 -3.198 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.756 10.392 -0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.132 13.083 -2.925 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.044 12.336 -0.669 1.00 0.00 H new ATOM 192 N CYS A 15 -7.231 7.045 -2.431 1.00 0.00 N ATOM 193 CA CYS A 15 -6.632 6.370 -1.284 1.00 0.00 C ATOM 194 C CYS A 15 -5.592 5.351 -1.737 1.00 0.00 C ATOM 195 O CYS A 15 -4.545 5.196 -1.109 1.00 0.00 O ATOM 196 CB CYS A 15 -7.827 5.670 -0.638 1.00 0.00 C ATOM 197 SG CYS A 15 -9.041 6.790 0.102 1.00 0.00 S ATOM 0 H CYS A 15 -8.230 6.872 -2.547 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.110 7.049 -0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.326 5.060 -1.391 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.462 4.990 0.132 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.910 7.143 -0.798 1.00 0.00 H new ATOM 203 N ALA A 16 -5.887 4.657 -2.832 1.00 0.00 N ATOM 204 CA ALA A 16 -4.924 3.751 -3.445 1.00 0.00 C ATOM 205 C ALA A 16 -3.690 4.506 -3.926 1.00 0.00 C ATOM 206 O ALA A 16 -2.566 4.025 -3.796 1.00 0.00 O ATOM 207 CB ALA A 16 -5.568 2.999 -4.601 1.00 0.00 C ATOM 0 H ALA A 16 -6.785 4.705 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.607 3.032 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.837 2.326 -5.049 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.415 2.421 -4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.914 3.711 -5.351 1.00 0.00 H new ATOM 213 N GLY A 17 -3.908 5.694 -4.484 1.00 0.00 N ATOM 214 CA GLY A 17 -2.803 6.502 -4.963 1.00 0.00 C ATOM 215 C GLY A 17 -1.889 6.960 -3.845 1.00 0.00 C ATOM 216 O GLY A 17 -0.669 6.994 -4.002 1.00 0.00 O ATOM 0 H GLY A 17 -4.830 6.110 -4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.225 5.928 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.195 7.374 -5.487 1.00 0.00 H new ATOM 220 N VAL A 18 -2.481 7.315 -2.708 1.00 0.00 N ATOM 221 CA VAL A 18 -1.715 7.803 -1.566 1.00 0.00 C ATOM 222 C VAL A 18 -0.798 6.716 -1.015 1.00 0.00 C ATOM 223 O VAL A 18 0.377 6.960 -0.743 1.00 0.00 O ATOM 224 CB VAL A 18 -2.637 8.305 -0.440 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.829 8.609 0.814 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.405 9.539 -0.889 1.00 0.00 C ATOM 0 H VAL A 18 -3.488 7.274 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.111 8.637 -1.924 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.355 7.518 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.496 8.963 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.322 7.704 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.089 9.378 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.051 9.880 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.702 10.330 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.013 9.293 -1.760 1.00 0.00 H new ATOM 236 N ILE A 19 -1.345 5.516 -0.855 1.00 0.00 N ATOM 237 CA ILE A 19 -0.559 4.374 -0.404 1.00 0.00 C ATOM 238 C ILE A 19 0.510 4.004 -1.425 1.00 0.00 C ATOM 239 O ILE A 19 1.658 3.737 -1.069 1.00 0.00 O ATOM 240 CB ILE A 19 -1.450 3.145 -0.137 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.348 3.390 1.078 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.595 1.905 0.070 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.428 2.349 1.258 1.00 0.00 C ATOM 0 H ILE A 19 -2.328 5.309 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.078 4.671 0.528 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.086 2.982 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.730 3.418 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.814 4.371 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.239 1.046 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.003 1.722 -0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.065 2.057 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.023 2.590 2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.071 2.336 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.970 1.368 1.387 1.00 0.00 H new ATOM 255 N LYS A 20 0.128 3.993 -2.697 1.00 0.00 N ATOM 256 CA LYS A 20 1.061 3.688 -3.775 1.00 0.00 C ATOM 257 C LYS A 20 2.235 4.663 -3.772 1.00 0.00 C ATOM 258 O LYS A 20 3.392 4.256 -3.869 1.00 0.00 O ATOM 259 CB LYS A 20 0.349 3.723 -5.128 1.00 0.00 C ATOM 260 CG LYS A 20 1.252 3.448 -6.323 1.00 0.00 C ATOM 261 CD LYS A 20 0.440 3.211 -7.587 1.00 0.00 C ATOM 262 CE LYS A 20 1.341 3.063 -8.804 1.00 0.00 C ATOM 263 NZ LYS A 20 2.365 2.000 -8.612 1.00 0.00 N ATOM 0 H LYS A 20 -0.823 4.192 -3.007 1.00 0.00 H new ATOM 0 HA LYS A 20 1.449 2.683 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.456 2.988 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.114 4.702 -5.256 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.926 4.291 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.873 2.576 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.166 2.313 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.248 4.042 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.734 2.828 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.837 4.012 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.798 1.766 -9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.099 2.339 -7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.914 1.151 -8.215 1.00 0.00 H new ATOM 277 N GLY A 21 1.927 5.951 -3.655 1.00 0.00 N ATOM 278 CA GLY A 21 2.967 6.963 -3.650 1.00 0.00 C ATOM 279 C GLY A 21 3.861 6.870 -2.428 1.00 0.00 C ATOM 280 O GLY A 21 5.076 7.036 -2.526 1.00 0.00 O ATOM 0 H GLY A 21 0.977 6.311 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.574 6.860 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.508 7.951 -3.687 1.00 0.00 H new ATOM 284 N ALA A 22 3.257 6.603 -1.275 1.00 0.00 N ATOM 285 CA ALA A 22 3.999 6.534 -0.022 1.00 0.00 C ATOM 286 C ALA A 22 5.019 5.402 -0.050 1.00 0.00 C ATOM 287 O ALA A 22 6.160 5.569 0.387 1.00 0.00 O ATOM 288 CB ALA A 22 3.045 6.357 1.149 1.00 0.00 C ATOM 0 H ALA A 22 2.256 6.431 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 22 4.539 7.473 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.614 6.307 2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.358 7.202 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.479 5.435 1.021 1.00 0.00 H new ATOM 294 N ILE A 23 4.603 4.250 -0.563 1.00 0.00 N ATOM 295 CA ILE A 23 5.484 3.091 -0.651 1.00 0.00 C ATOM 296 C ILE A 23 6.615 3.331 -1.645 1.00 0.00 C ATOM 297 O ILE A 23 7.779 3.059 -1.354 1.00 0.00 O ATOM 298 CB ILE A 23 4.711 1.825 -1.063 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.727 1.419 0.038 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.674 0.688 -1.366 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.739 0.356 -0.387 1.00 0.00 C ATOM 0 H ILE A 23 3.662 4.093 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 23 5.906 2.941 0.343 1.00 0.00 H new ATOM 0 HB ILE A 23 4.144 2.044 -1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.289 1.056 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.178 2.302 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.110 -0.199 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.336 0.979 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.267 0.467 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.076 0.122 0.446 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.150 0.722 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.278 -0.543 -0.686 1.00 0.00 H new ATOM 313 N GLU A 24 6.263 3.846 -2.819 1.00 0.00 N ATOM 314 CA GLU A 24 7.242 4.081 -3.873 1.00 0.00 C ATOM 315 C GLU A 24 8.276 5.117 -3.435 1.00 0.00 C ATOM 316 O GLU A 24 9.460 4.998 -3.747 1.00 0.00 O ATOM 317 CB GLU A 24 6.549 4.539 -5.158 1.00 0.00 C ATOM 318 CG GLU A 24 5.791 3.439 -5.889 1.00 0.00 C ATOM 319 CD GLU A 24 5.073 3.979 -7.095 1.00 0.00 C ATOM 320 OE1 GLU A 24 5.079 5.171 -7.282 1.00 0.00 O ATOM 321 OE2 GLU A 24 4.617 3.192 -7.890 1.00 0.00 O ATOM 0 H GLU A 24 5.308 4.108 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 24 7.758 3.141 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.854 5.343 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.297 4.957 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.486 2.658 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.072 2.978 -5.212 1.00 0.00 H new ATOM 328 N LYS A 25 7.817 6.130 -2.710 1.00 0.00 N ATOM 329 CA LYS A 25 8.686 7.220 -2.281 1.00 0.00 C ATOM 330 C LYS A 25 9.709 6.729 -1.260 1.00 0.00 C ATOM 331 O LYS A 25 10.884 7.095 -1.318 1.00 0.00 O ATOM 332 CB LYS A 25 7.862 8.367 -1.694 1.00 0.00 C ATOM 333 CG LYS A 25 8.677 9.592 -1.302 1.00 0.00 C ATOM 334 CD LYS A 25 7.777 10.741 -0.873 1.00 0.00 C ATOM 335 CE LYS A 25 8.592 11.957 -0.454 1.00 0.00 C ATOM 336 NZ LYS A 25 7.725 13.080 -0.007 1.00 0.00 N ATOM 0 H LYS A 25 6.847 6.220 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 25 9.222 7.588 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.108 8.666 -2.422 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.330 8.003 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.355 9.335 -0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.294 9.906 -2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.113 11.011 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.145 10.421 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.270 11.679 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.209 12.286 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.319 13.888 0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.095 13.363 -0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.154 12.775 0.807 1.00 0.00 H new ATOM 350 N THR A 26 9.256 5.899 -0.326 1.00 0.00 N ATOM 351 CA THR A 26 10.091 5.474 0.789 1.00 0.00 C ATOM 352 C THR A 26 10.819 4.173 0.467 1.00 0.00 C ATOM 353 O THR A 26 11.800 3.819 1.121 1.00 0.00 O ATOM 354 CB THR A 26 9.264 5.284 2.074 1.00 0.00 C ATOM 355 OG1 THR A 26 8.278 4.264 1.864 1.00 0.00 O ATOM 356 CG2 THR A 26 8.571 6.582 2.459 1.00 0.00 C ATOM 0 H THR A 26 8.314 5.508 -0.320 1.00 0.00 H new ATOM 0 HA THR A 26 10.823 6.265 0.953 1.00 0.00 H new ATOM 0 HB THR A 26 9.936 4.990 2.880 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.529 4.634 1.352 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.991 6.429 3.369 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.319 7.356 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.906 6.892 1.653 1.00 0.00 H new ATOM 364 N VAL A 27 10.330 3.462 -0.546 1.00 0.00 N ATOM 365 CA VAL A 27 10.956 2.219 -0.977 1.00 0.00 C ATOM 366 C VAL A 27 11.300 2.263 -2.463 1.00 0.00 C ATOM 367 O VAL A 27 10.426 2.364 -3.324 1.00 0.00 O ATOM 368 CB VAL A 27 10.046 1.005 -0.705 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.710 -0.276 -1.188 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.718 0.907 0.777 1.00 0.00 C ATOM 0 H VAL A 27 9.503 3.726 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 27 11.873 2.110 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 27 9.116 1.141 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.054 -1.123 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.898 -0.207 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.655 -0.417 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.075 0.044 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.640 0.793 1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.204 1.813 1.097 1.00 0.00 H new ATOM 380 N PRO A 28 12.603 2.185 -2.771 1.00 0.00 N ATOM 381 CA PRO A 28 13.092 2.222 -4.152 1.00 0.00 C ATOM 382 C PRO A 28 12.747 0.953 -4.925 1.00 0.00 C ATOM 383 O PRO A 28 12.944 -0.156 -4.432 1.00 0.00 O ATOM 384 CB PRO A 28 14.606 2.402 -4.002 1.00 0.00 C ATOM 385 CG PRO A 28 14.919 1.815 -2.667 1.00 0.00 C ATOM 386 CD PRO A 28 13.730 2.135 -1.802 1.00 0.00 C ATOM 0 HA PRO A 28 12.629 3.022 -4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.148 1.891 -4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.888 3.454 -4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.075 0.739 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.832 2.243 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.571 1.373 -1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.855 3.085 -1.282 1.00 0.00 H new ATOM 394 N GLY A 29 12.231 1.127 -6.138 1.00 0.00 N ATOM 395 CA GLY A 29 11.930 -0.013 -6.985 1.00 0.00 C ATOM 396 C GLY A 29 10.678 -0.746 -6.545 1.00 0.00 C ATOM 397 O GLY A 29 10.492 -1.919 -6.869 1.00 0.00 O ATOM 0 H GLY A 29 12.016 2.036 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.807 0.325 -8.014 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.774 -0.703 -6.975 1.00 0.00 H new ATOM 401 N ALA A 30 9.819 -0.054 -5.805 1.00 0.00 N ATOM 402 CA ALA A 30 8.595 -0.658 -5.292 1.00 0.00 C ATOM 403 C ALA A 30 7.505 -0.683 -6.358 1.00 0.00 C ATOM 404 O ALA A 30 7.155 0.351 -6.923 1.00 0.00 O ATOM 405 CB ALA A 30 8.113 0.094 -4.059 1.00 0.00 C ATOM 0 H ALA A 30 9.947 0.924 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 30 8.817 -1.688 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.198 -0.367 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.880 0.055 -3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.915 1.133 -4.321 1.00 0.00 H new ATOM 411 N ALA A 31 6.975 -1.872 -6.626 1.00 0.00 N ATOM 412 CA ALA A 31 5.805 -2.010 -7.484 1.00 0.00 C ATOM 413 C ALA A 31 4.541 -2.219 -6.657 1.00 0.00 C ATOM 414 O ALA A 31 4.417 -3.206 -5.932 1.00 0.00 O ATOM 415 CB ALA A 31 5.996 -3.161 -8.460 1.00 0.00 C ATOM 0 H ALA A 31 7.337 -2.753 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 31 5.690 -1.086 -8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.114 -3.251 -9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.871 -2.970 -9.081 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.140 -4.088 -7.905 1.00 0.00 H new ATOM 421 N VAL A 32 3.603 -1.283 -6.771 1.00 0.00 N ATOM 422 CA VAL A 32 2.370 -1.337 -5.996 1.00 0.00 C ATOM 423 C VAL A 32 1.146 -1.286 -6.904 1.00 0.00 C ATOM 424 O VAL A 32 0.965 -0.336 -7.665 1.00 0.00 O ATOM 425 CB VAL A 32 2.292 -0.184 -4.978 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.987 -0.249 -4.199 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.480 -0.229 -4.029 1.00 0.00 C ATOM 0 H VAL A 32 3.675 -0.478 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 32 2.378 -2.284 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 32 2.322 0.759 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.949 0.573 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.147 -0.169 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.929 -1.197 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.408 0.593 -3.317 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.480 -1.177 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.405 -0.136 -4.599 1.00 0.00 H new ATOM 437 N HIS A 33 0.309 -2.314 -6.817 1.00 0.00 N ATOM 438 CA HIS A 33 -0.989 -2.301 -7.483 1.00 0.00 C ATOM 439 C HIS A 33 -2.121 -2.446 -6.471 1.00 0.00 C ATOM 440 O HIS A 33 -2.283 -3.499 -5.853 1.00 0.00 O ATOM 441 CB HIS A 33 -1.073 -3.415 -8.530 1.00 0.00 C ATOM 442 CG HIS A 33 -0.010 -3.335 -9.582 1.00 0.00 C ATOM 443 ND1 HIS A 33 -0.121 -2.525 -10.691 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.183 -3.965 -9.692 1.00 0.00 C ATOM 445 CE1 HIS A 33 0.960 -2.657 -11.439 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.766 -3.525 -10.855 1.00 0.00 N ATOM 0 H HIS A 33 0.506 -3.166 -6.292 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.096 -1.340 -7.987 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.002 -4.380 -8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.051 -3.377 -9.010 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.598 -4.679 -8.996 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.152 -2.143 -12.369 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.675 -3.821 -11.210 1.00 0.00 H new ATOM 453 N ALA A 34 -2.901 -1.384 -6.305 1.00 0.00 N ATOM 454 CA ALA A 34 -3.933 -1.347 -5.276 1.00 0.00 C ATOM 455 C ALA A 34 -5.324 -1.275 -5.897 1.00 0.00 C ATOM 456 O ALA A 34 -5.518 -0.647 -6.939 1.00 0.00 O ATOM 457 CB ALA A 34 -3.708 -0.165 -4.345 1.00 0.00 C ATOM 0 H ALA A 34 -2.838 -0.537 -6.870 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.868 -2.269 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.486 -0.150 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.733 -0.259 -3.867 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.744 0.762 -4.918 1.00 0.00 H new ATOM 463 N ASP A 35 -6.290 -1.920 -5.252 1.00 0.00 N ATOM 464 CA ASP A 35 -7.673 -1.883 -5.710 1.00 0.00 C ATOM 465 C ASP A 35 -8.618 -1.566 -4.556 1.00 0.00 C ATOM 466 O ASP A 35 -8.853 -2.389 -3.670 1.00 0.00 O ATOM 467 CB ASP A 35 -8.062 -3.212 -6.361 1.00 0.00 C ATOM 468 CG ASP A 35 -9.465 -3.238 -6.952 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.175 -2.275 -6.787 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.759 -4.146 -7.692 1.00 0.00 O ATOM 0 H ASP A 35 -6.140 -2.475 -4.410 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.760 -1.092 -6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.345 -3.440 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.980 -4.004 -5.617 1.00 0.00 H new ATOM 475 N PRO A 36 -9.175 -0.346 -4.564 1.00 0.00 N ATOM 476 CA PRO A 36 -10.069 0.123 -3.501 1.00 0.00 C ATOM 477 C PRO A 36 -11.439 -0.543 -3.560 1.00 0.00 C ATOM 478 O PRO A 36 -12.178 -0.553 -2.576 1.00 0.00 O ATOM 479 CB PRO A 36 -10.161 1.634 -3.735 1.00 0.00 C ATOM 480 CG PRO A 36 -9.910 1.799 -5.195 1.00 0.00 C ATOM 481 CD PRO A 36 -8.894 0.745 -5.547 1.00 0.00 C ATOM 0 HA PRO A 36 -9.691 -0.126 -2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.141 2.021 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.423 2.174 -3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.827 1.668 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.534 2.797 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.011 0.401 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.875 1.120 -5.451 1.00 0.00 H new ATOM 489 N ALA A 37 -11.772 -1.098 -4.720 1.00 0.00 N ATOM 490 CA ALA A 37 -13.023 -1.829 -4.887 1.00 0.00 C ATOM 491 C ALA A 37 -13.023 -3.112 -4.062 1.00 0.00 C ATOM 492 O ALA A 37 -14.044 -3.492 -3.488 1.00 0.00 O ATOM 493 CB ALA A 37 -13.259 -2.144 -6.357 1.00 0.00 C ATOM 0 H ALA A 37 -11.193 -1.056 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.835 -1.197 -4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.196 -2.690 -6.466 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.312 -1.215 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.438 -2.753 -6.735 1.00 0.00 H new ATOM 499 N SER A 38 -11.873 -3.775 -4.008 1.00 0.00 N ATOM 500 CA SER A 38 -11.702 -4.941 -3.149 1.00 0.00 C ATOM 501 C SER A 38 -11.038 -4.552 -1.831 1.00 0.00 C ATOM 502 O SER A 38 -10.982 -5.345 -0.894 1.00 0.00 O ATOM 503 CB SER A 38 -10.887 -6.002 -3.861 1.00 0.00 C ATOM 504 OG SER A 38 -9.606 -5.545 -4.198 1.00 0.00 O ATOM 0 H SER A 38 -11.045 -3.525 -4.549 1.00 0.00 H new ATOM 0 HA SER A 38 -12.687 -5.349 -2.924 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.801 -6.882 -3.223 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.410 -6.314 -4.765 1.00 0.00 H new ATOM 0 HG SER A 38 -9.533 -4.591 -3.986 1.00 0.00 H new ATOM 510 N ARG A 39 -10.536 -3.322 -1.771 1.00 0.00 N ATOM 511 CA ARG A 39 -9.896 -2.817 -0.562 1.00 0.00 C ATOM 512 C ARG A 39 -8.623 -3.602 -0.254 1.00 0.00 C ATOM 513 O ARG A 39 -8.321 -3.884 0.907 1.00 0.00 O ATOM 514 CB ARG A 39 -10.846 -2.799 0.627 1.00 0.00 C ATOM 515 CG ARG A 39 -12.059 -1.898 0.463 1.00 0.00 C ATOM 516 CD ARG A 39 -12.971 -1.879 1.635 1.00 0.00 C ATOM 517 NE ARG A 39 -14.210 -1.151 1.423 1.00 0.00 N ATOM 518 CZ ARG A 39 -15.194 -1.031 2.336 1.00 0.00 C ATOM 519 NH1 ARG A 39 -15.104 -1.618 3.510 1.00 0.00 N ATOM 520 NH2 ARG A 39 -16.264 -0.326 2.013 1.00 0.00 N ATOM 0 H ARG A 39 -10.560 -2.658 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.616 -1.781 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.190 -3.816 0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.293 -2.482 1.511 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.718 -0.882 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.620 -2.221 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.211 -2.906 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.445 -1.437 2.481 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.345 -0.698 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.280 -2.174 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.858 -1.517 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.329 0.110 1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.025 -0.218 2.684 1.00 0.00 H new ATOM 534 N THR A 40 -7.881 -3.949 -1.300 1.00 0.00 N ATOM 535 CA THR A 40 -6.663 -4.733 -1.144 1.00 0.00 C ATOM 536 C THR A 40 -5.476 -4.045 -1.812 1.00 0.00 C ATOM 537 O THR A 40 -5.650 -3.222 -2.709 1.00 0.00 O ATOM 538 CB THR A 40 -6.823 -6.148 -1.733 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.090 -6.054 -3.139 1.00 0.00 O ATOM 540 CG2 THR A 40 -7.967 -6.883 -1.052 1.00 0.00 C ATOM 0 H THR A 40 -8.102 -3.700 -2.264 1.00 0.00 H new ATOM 0 HA THR A 40 -6.476 -4.815 -0.073 1.00 0.00 H new ATOM 0 HB THR A 40 -5.899 -6.702 -1.567 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.042 -5.871 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.065 -7.880 -1.481 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.762 -6.965 0.015 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.895 -6.331 -1.202 1.00 0.00 H new ATOM 548 N VAL A 41 -4.272 -4.391 -1.368 1.00 0.00 N ATOM 549 CA VAL A 41 -3.055 -3.874 -1.983 1.00 0.00 C ATOM 550 C VAL A 41 -2.093 -5.004 -2.333 1.00 0.00 C ATOM 551 O VAL A 41 -1.771 -5.842 -1.491 1.00 0.00 O ATOM 552 CB VAL A 41 -2.339 -2.868 -1.063 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.112 -2.292 -1.753 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.288 -1.754 -0.649 1.00 0.00 C ATOM 0 H VAL A 41 -4.113 -5.026 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.357 -3.362 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.014 -3.395 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.619 -1.583 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.421 -3.098 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.415 -1.781 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.764 -1.053 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.643 -1.230 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.137 -2.179 -0.114 1.00 0.00 H new ATOM 564 N VAL A 42 -1.636 -5.019 -3.580 1.00 0.00 N ATOM 565 CA VAL A 42 -0.656 -6.003 -4.023 1.00 0.00 C ATOM 566 C VAL A 42 0.708 -5.357 -4.246 1.00 0.00 C ATOM 567 O VAL A 42 0.837 -4.402 -5.011 1.00 0.00 O ATOM 568 CB VAL A 42 -1.102 -6.702 -5.321 1.00 0.00 C ATOM 569 CG1 VAL A 42 -0.043 -7.691 -5.785 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.434 -7.405 -5.117 1.00 0.00 C ATOM 0 H VAL A 42 -1.929 -4.361 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.578 -6.748 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.228 -5.944 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.375 -8.175 -6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.892 -7.162 -5.971 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.114 -8.445 -5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.733 -7.893 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.334 -8.152 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.191 -6.675 -4.831 1.00 0.00 H new ATOM 580 N VAL A 43 1.725 -5.886 -3.573 1.00 0.00 N ATOM 581 CA VAL A 43 3.046 -5.269 -3.572 1.00 0.00 C ATOM 582 C VAL A 43 4.115 -6.257 -4.023 1.00 0.00 C ATOM 583 O VAL A 43 4.143 -7.404 -3.574 1.00 0.00 O ATOM 584 CB VAL A 43 3.415 -4.725 -2.179 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.787 -4.069 -2.210 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.364 -3.738 -1.696 1.00 0.00 C ATOM 0 H VAL A 43 1.659 -6.741 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 43 3.005 -4.437 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 43 3.448 -5.561 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.032 -3.690 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.534 -4.802 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.780 -3.243 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.642 -3.364 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.299 -2.904 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.397 -4.237 -1.636 1.00 0.00 H new ATOM 596 N GLY A 44 4.993 -5.806 -4.913 1.00 0.00 N ATOM 597 CA GLY A 44 6.042 -6.670 -5.424 1.00 0.00 C ATOM 598 C GLY A 44 7.259 -6.700 -4.520 1.00 0.00 C ATOM 599 O GLY A 44 7.153 -6.476 -3.316 1.00 0.00 O ATOM 0 H GLY A 44 4.997 -4.858 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.652 -7.682 -5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.338 -6.329 -6.416 1.00 0.00 H new ATOM 603 N GLY A 45 8.420 -6.982 -5.105 1.00 0.00 N ATOM 604 CA GLY A 45 9.638 -7.083 -4.323 1.00 0.00 C ATOM 605 C GLY A 45 9.992 -5.781 -3.629 1.00 0.00 C ATOM 606 O GLY A 45 10.351 -4.800 -4.281 1.00 0.00 O ATOM 0 H GLY A 45 8.538 -7.142 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.523 -7.869 -3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.460 -7.379 -4.974 1.00 0.00 H new ATOM 610 N VAL A 46 9.888 -5.771 -2.305 1.00 0.00 N ATOM 611 CA VAL A 46 10.097 -4.553 -1.531 1.00 0.00 C ATOM 612 C VAL A 46 10.739 -4.860 -0.183 1.00 0.00 C ATOM 613 O VAL A 46 10.988 -6.020 0.147 1.00 0.00 O ATOM 614 CB VAL A 46 8.774 -3.796 -1.299 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.201 -3.308 -2.620 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.771 -4.686 -0.581 1.00 0.00 C ATOM 0 H VAL A 46 9.660 -6.593 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 46 10.768 -3.922 -2.114 1.00 0.00 H new ATOM 0 HB VAL A 46 8.979 -2.929 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.267 -2.776 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.913 -2.637 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.011 -4.161 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.843 -4.136 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.571 -5.571 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.179 -4.990 0.383 1.00 0.00 H new ATOM 626 N SER A 47 11.006 -3.814 0.592 1.00 0.00 N ATOM 627 CA SER A 47 11.514 -3.977 1.949 1.00 0.00 C ATOM 628 C SER A 47 10.518 -4.747 2.812 1.00 0.00 C ATOM 629 O SER A 47 9.396 -5.023 2.387 1.00 0.00 O ATOM 630 CB SER A 47 11.813 -2.623 2.562 1.00 0.00 C ATOM 631 OG SER A 47 10.646 -1.884 2.801 1.00 0.00 O ATOM 0 H SER A 47 10.879 -2.844 0.303 1.00 0.00 H new ATOM 0 HA SER A 47 12.439 -4.553 1.904 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.353 -2.761 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.468 -2.061 1.896 1.00 0.00 H new ATOM 0 HG SER A 47 10.823 -1.205 3.485 1.00 0.00 H new ATOM 637 N ASP A 48 10.938 -5.090 4.024 1.00 0.00 N ATOM 638 CA ASP A 48 10.132 -5.932 4.902 1.00 0.00 C ATOM 639 C ASP A 48 8.656 -5.560 4.807 1.00 0.00 C ATOM 640 O ASP A 48 8.292 -4.388 4.903 1.00 0.00 O ATOM 641 CB ASP A 48 10.614 -5.814 6.350 1.00 0.00 C ATOM 642 CG ASP A 48 9.871 -6.709 7.334 1.00 0.00 C ATOM 643 OD1 ASP A 48 8.926 -7.343 6.932 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.346 -6.871 8.433 1.00 0.00 O ATOM 0 H ASP A 48 11.831 -4.799 4.422 1.00 0.00 H new ATOM 0 HA ASP A 48 10.248 -6.966 4.577 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.676 -6.056 6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.512 -4.777 6.671 1.00 0.00 H new ATOM 649 N ALA A 49 7.810 -6.567 4.612 1.00 0.00 N ATOM 650 CA ALA A 49 6.370 -6.350 4.526 1.00 0.00 C ATOM 651 C ALA A 49 5.858 -5.585 5.740 1.00 0.00 C ATOM 652 O ALA A 49 4.909 -4.805 5.640 1.00 0.00 O ATOM 653 CB ALA A 49 5.644 -7.679 4.390 1.00 0.00 C ATOM 0 H ALA A 49 8.097 -7.541 4.511 1.00 0.00 H new ATOM 0 HA ALA A 49 6.169 -5.748 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.570 -7.502 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.982 -8.187 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.859 -8.301 5.259 1.00 0.00 H new ATOM 659 N ALA A 50 6.489 -5.812 6.887 1.00 0.00 N ATOM 660 CA ALA A 50 6.172 -5.061 8.095 1.00 0.00 C ATOM 661 C ALA A 50 6.409 -3.567 7.891 1.00 0.00 C ATOM 662 O ALA A 50 5.618 -2.737 8.338 1.00 0.00 O ATOM 663 CB ALA A 50 6.999 -5.571 9.267 1.00 0.00 C ATOM 0 H ALA A 50 7.223 -6.510 7.005 1.00 0.00 H new ATOM 0 HA ALA A 50 5.115 -5.209 8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.752 -5.001 10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.779 -6.625 9.436 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.059 -5.453 9.043 1.00 0.00 H new ATOM 669 N HIS A 51 7.502 -3.234 7.212 1.00 0.00 N ATOM 670 CA HIS A 51 7.787 -1.848 6.858 1.00 0.00 C ATOM 671 C HIS A 51 6.714 -1.292 5.928 1.00 0.00 C ATOM 672 O HIS A 51 6.299 -0.140 6.061 1.00 0.00 O ATOM 673 CB HIS A 51 9.166 -1.729 6.200 1.00 0.00 C ATOM 674 CG HIS A 51 9.580 -0.317 5.921 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.484 0.012 4.933 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.215 0.850 6.501 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.656 1.323 4.917 1.00 0.00 C ATOM 678 NE2 HIS A 51 9.898 1.854 5.859 1.00 0.00 N ATOM 0 H HIS A 51 8.204 -3.904 6.896 1.00 0.00 H new ATOM 0 HA HIS A 51 7.786 -1.262 7.777 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.909 -2.195 6.847 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.162 -2.289 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.517 0.970 7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.306 1.867 4.247 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.831 2.849 6.075 1.00 0.00 H new ATOM 685 N ILE A 52 6.268 -2.117 4.987 1.00 0.00 N ATOM 686 CA ILE A 52 5.239 -1.711 4.038 1.00 0.00 C ATOM 687 C ILE A 52 3.923 -1.409 4.749 1.00 0.00 C ATOM 688 O ILE A 52 3.225 -0.456 4.407 1.00 0.00 O ATOM 689 CB ILE A 52 5.000 -2.789 2.966 1.00 0.00 C ATOM 690 CG1 ILE A 52 6.282 -3.041 2.167 1.00 0.00 C ATOM 691 CG2 ILE A 52 3.865 -2.379 2.042 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.774 -1.831 1.406 1.00 0.00 C ATOM 0 H ILE A 52 6.604 -3.072 4.861 1.00 0.00 H new ATOM 0 HA ILE A 52 5.600 -0.805 3.551 1.00 0.00 H new ATOM 0 HB ILE A 52 4.717 -3.716 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.065 -3.373 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.106 -3.855 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.710 -3.153 1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.952 -2.249 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.118 -1.440 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.685 -2.087 0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.009 -1.511 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.983 -1.021 2.105 1.00 0.00 H new ATOM 704 N ALA A 53 3.593 -2.230 5.741 1.00 0.00 N ATOM 705 CA ALA A 53 2.398 -2.012 6.547 1.00 0.00 C ATOM 706 C ALA A 53 2.510 -0.724 7.357 1.00 0.00 C ATOM 707 O ALA A 53 1.531 0.003 7.520 1.00 0.00 O ATOM 708 CB ALA A 53 2.158 -3.199 7.468 1.00 0.00 C ATOM 0 H ALA A 53 4.136 -3.052 6.006 1.00 0.00 H new ATOM 0 HA ALA A 53 1.548 -1.913 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.262 -3.022 8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.025 -4.101 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.015 -3.325 8.130 1.00 0.00 H new ATOM 714 N GLU A 54 3.709 -0.451 7.862 1.00 0.00 N ATOM 715 CA GLU A 54 3.972 0.796 8.572 1.00 0.00 C ATOM 716 C GLU A 54 3.860 1.991 7.630 1.00 0.00 C ATOM 717 O GLU A 54 3.420 3.070 8.029 1.00 0.00 O ATOM 718 CB GLU A 54 5.357 0.761 9.222 1.00 0.00 C ATOM 719 CG GLU A 54 5.460 -0.152 10.435 1.00 0.00 C ATOM 720 CD GLU A 54 6.871 -0.221 10.949 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.735 0.360 10.338 1.00 0.00 O ATOM 722 OE2 GLU A 54 7.069 -0.759 12.013 1.00 0.00 O ATOM 0 H GLU A 54 4.513 -1.075 7.793 1.00 0.00 H new ATOM 0 HA GLU A 54 3.221 0.905 9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.086 0.440 8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.631 1.773 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.801 0.212 11.223 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.118 -1.152 10.170 1.00 0.00 H new ATOM 729 N ILE A 55 4.264 1.792 6.379 1.00 0.00 N ATOM 730 CA ILE A 55 4.120 2.823 5.359 1.00 0.00 C ATOM 731 C ILE A 55 2.652 3.114 5.072 1.00 0.00 C ATOM 732 O ILE A 55 2.257 4.269 4.917 1.00 0.00 O ATOM 733 CB ILE A 55 4.821 2.419 4.048 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.341 2.435 4.227 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.406 3.347 2.917 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.096 1.757 3.107 1.00 0.00 C ATOM 0 H ILE A 55 4.693 0.928 6.048 1.00 0.00 H new ATOM 0 HA ILE A 55 4.593 3.723 5.751 1.00 0.00 H new ATOM 0 HB ILE A 55 4.516 1.405 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.677 3.469 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.591 1.947 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.910 3.048 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.327 3.288 2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.683 4.371 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.166 1.810 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.790 0.713 3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.877 2.259 2.165 1.00 0.00 H new ATOM 748 N ILE A 56 1.848 2.059 5.006 1.00 0.00 N ATOM 749 CA ILE A 56 0.405 2.205 4.852 1.00 0.00 C ATOM 750 C ILE A 56 -0.194 2.984 6.018 1.00 0.00 C ATOM 751 O ILE A 56 -1.077 3.824 5.832 1.00 0.00 O ATOM 752 CB ILE A 56 -0.293 0.838 4.746 1.00 0.00 C ATOM 753 CG1 ILE A 56 0.094 0.140 3.440 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.803 1.003 4.837 1.00 0.00 C ATOM 755 CD1 ILE A 56 -0.313 -1.314 3.379 1.00 0.00 C ATOM 0 H ILE A 56 2.171 1.093 5.057 1.00 0.00 H new ATOM 0 HA ILE A 56 0.240 2.757 3.927 1.00 0.00 H new ATOM 0 HB ILE A 56 0.035 0.216 5.579 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.365 0.671 2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.174 0.211 3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.281 0.026 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.062 1.460 5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.149 1.641 4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.004 -1.738 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.167 -1.860 4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.396 -1.393 3.478 1.00 0.00 H new ATOM 767 N THR A 57 0.292 2.703 7.224 1.00 0.00 N ATOM 768 CA THR A 57 -0.078 3.483 8.398 1.00 0.00 C ATOM 769 C THR A 57 0.399 4.926 8.271 1.00 0.00 C ATOM 770 O THR A 57 -0.305 5.858 8.655 1.00 0.00 O ATOM 771 CB THR A 57 0.502 2.873 9.687 1.00 0.00 C ATOM 772 OG1 THR A 57 -0.035 1.557 9.879 1.00 0.00 O ATOM 773 CG2 THR A 57 0.154 3.737 10.890 1.00 0.00 C ATOM 0 H THR A 57 0.943 1.941 7.412 1.00 0.00 H new ATOM 0 HA THR A 57 -1.166 3.466 8.458 1.00 0.00 H new ATOM 0 HB THR A 57 1.586 2.821 9.590 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.352 0.946 9.218 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.572 3.290 11.792 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.570 4.735 10.753 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.929 3.805 10.988 1.00 0.00 H new ATOM 781 N ALA A 58 1.600 5.102 7.728 1.00 0.00 N ATOM 782 CA ALA A 58 2.139 6.434 7.481 1.00 0.00 C ATOM 783 C ALA A 58 1.310 7.179 6.440 1.00 0.00 C ATOM 784 O ALA A 58 1.283 8.408 6.418 1.00 0.00 O ATOM 785 CB ALA A 58 3.590 6.341 7.035 1.00 0.00 C ATOM 0 H ALA A 58 2.218 4.339 7.451 1.00 0.00 H new ATOM 0 HA ALA A 58 2.092 6.996 8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.980 7.343 6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.180 5.857 7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.652 5.756 6.117 1.00 0.00 H new ATOM 791 N ALA A 59 0.635 6.424 5.578 1.00 0.00 N ATOM 792 CA ALA A 59 -0.269 7.009 4.597 1.00 0.00 C ATOM 793 C ALA A 59 -1.619 7.344 5.225 1.00 0.00 C ATOM 794 O ALA A 59 -2.483 7.940 4.582 1.00 0.00 O ATOM 795 CB ALA A 59 -0.454 6.063 3.418 1.00 0.00 C ATOM 0 H ALA A 59 0.698 5.407 5.540 1.00 0.00 H new ATOM 0 HA ALA A 59 0.176 7.937 4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.132 6.513 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.511 5.877 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.873 5.120 3.770 1.00 0.00 H new ATOM 801 N GLY A 60 -1.793 6.957 6.484 1.00 0.00 N ATOM 802 CA GLY A 60 -2.993 7.323 7.214 1.00 0.00 C ATOM 803 C GLY A 60 -4.077 6.269 7.112 1.00 0.00 C ATOM 804 O GLY A 60 -5.239 6.529 7.428 1.00 0.00 O ATOM 0 H GLY A 60 -1.124 6.396 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.742 7.482 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.374 8.270 6.830 1.00 0.00 H new ATOM 808 N TYR A 61 -3.700 5.075 6.667 1.00 0.00 N ATOM 809 CA TYR A 61 -4.654 3.984 6.502 1.00 0.00 C ATOM 810 C TYR A 61 -4.282 2.797 7.385 1.00 0.00 C ATOM 811 O TYR A 61 -3.104 2.503 7.590 1.00 0.00 O ATOM 812 CB TYR A 61 -4.723 3.551 5.036 1.00 0.00 C ATOM 813 CG TYR A 61 -5.120 4.658 4.087 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.456 4.927 3.826 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.158 5.433 3.453 1.00 0.00 C ATOM 816 CE1 TYR A 61 -6.824 5.938 2.959 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.515 6.446 2.585 1.00 0.00 C ATOM 818 CZ TYR A 61 -5.851 6.695 2.340 1.00 0.00 C ATOM 819 OH TYR A 61 -6.212 7.702 1.476 1.00 0.00 O ATOM 0 H TYR A 61 -2.741 4.838 6.414 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.636 4.345 6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.750 3.161 4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.437 2.733 4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.221 4.336 4.308 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.112 5.240 3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.868 6.135 2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.754 7.040 2.101 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.111 7.527 1.128 1.00 0.00 H new ATOM 829 N THR A 62 -5.297 2.116 7.909 1.00 0.00 N ATOM 830 CA THR A 62 -5.081 1.002 8.823 1.00 0.00 C ATOM 831 C THR A 62 -5.587 -0.305 8.226 1.00 0.00 C ATOM 832 O THR A 62 -6.768 -0.456 7.910 1.00 0.00 O ATOM 833 CB THR A 62 -5.773 1.240 10.177 1.00 0.00 C ATOM 834 OG1 THR A 62 -5.246 2.426 10.785 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.551 0.056 11.105 1.00 0.00 C ATOM 0 H THR A 62 -6.278 2.317 7.715 1.00 0.00 H new ATOM 0 HA THR A 62 -4.005 0.931 8.984 1.00 0.00 H new ATOM 0 HB THR A 62 -6.843 1.357 10.005 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.689 2.577 11.646 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.047 0.242 12.057 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.964 -0.845 10.651 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.483 -0.079 11.273 1.00 0.00 H new