USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 378 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.69 K(o=-0.69,f=-3.1!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.278 K(o=-0.28,f=-1.6!) USER MOD Single : A 18 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 21 ASN : amide:sc= -0.0465 K(o=-0.046,f=-2.2!) USER MOD Single : B 1 PHE N :NH3+ 159:sc= 0.0938 (180deg=0.0119) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 4 GLN : amide:sc= -0.711 K(o=-0.71,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -12.6! C(o=-13!,f=-10!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.159 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -1.66! USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0866 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.0125 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.549 5.249 5.456 1.00 0.00 N ATOM 2 CA GLY A 1 0.110 6.537 4.962 1.00 0.00 C ATOM 3 C GLY A 1 1.448 6.467 4.309 1.00 0.00 C ATOM 4 O GLY A 1 2.350 7.211 4.640 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.471 5.472 5.883 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.687 4.600 4.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.061 4.797 6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.575 7.006 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.197 7.209 5.816 1.00 0.00 H new ATOM 10 N ILE A 2 1.609 5.589 3.358 1.00 0.00 N ATOM 11 CA ILE A 2 2.916 5.478 2.655 1.00 0.00 C ATOM 12 C ILE A 2 2.759 6.070 1.261 1.00 0.00 C ATOM 13 O ILE A 2 3.652 6.697 0.727 1.00 0.00 O ATOM 14 CB ILE A 2 3.320 4.008 2.548 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.558 3.884 1.656 1.00 0.00 C ATOM 16 CG2 ILE A 2 2.170 3.212 1.935 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.431 2.730 2.150 1.00 0.00 C ATOM 0 H ILE A 2 0.889 4.942 3.037 1.00 0.00 H new ATOM 0 HA ILE A 2 3.688 6.014 3.207 1.00 0.00 H new ATOM 0 HB ILE A 2 3.547 3.618 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.258 3.710 0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.125 4.815 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.455 2.163 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.287 3.302 2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.946 3.602 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.312 2.642 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.742 2.923 3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.862 1.801 2.111 1.00 0.00 H new ATOM 29 N VAL A 3 1.612 5.873 0.678 1.00 0.00 N ATOM 30 CA VAL A 3 1.347 6.413 -0.678 1.00 0.00 C ATOM 31 C VAL A 3 1.903 7.839 -0.773 1.00 0.00 C ATOM 32 O VAL A 3 2.663 8.159 -1.665 1.00 0.00 O ATOM 33 CB VAL A 3 -0.169 6.413 -0.910 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.545 7.447 -1.968 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.606 5.026 -1.383 1.00 0.00 C ATOM 0 H VAL A 3 0.837 5.353 1.091 1.00 0.00 H new ATOM 0 HA VAL A 3 1.832 5.800 -1.438 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.670 6.665 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.624 7.435 -2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.237 8.438 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.043 7.208 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.683 5.021 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.094 4.781 -2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.353 4.286 -0.624 1.00 0.00 H new ATOM 45 N GLU A 4 1.531 8.695 0.137 1.00 0.00 N ATOM 46 CA GLU A 4 2.040 10.095 0.092 1.00 0.00 C ATOM 47 C GLU A 4 3.431 10.153 0.723 1.00 0.00 C ATOM 48 O GLU A 4 4.283 10.909 0.301 1.00 0.00 O ATOM 49 CB GLU A 4 1.088 11.009 0.867 1.00 0.00 C ATOM 50 CG GLU A 4 -0.350 10.764 0.403 1.00 0.00 C ATOM 51 CD GLU A 4 -1.309 11.616 1.236 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.004 12.777 1.452 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.332 11.093 1.644 1.00 0.00 O ATOM 0 H GLU A 4 0.898 8.487 0.909 1.00 0.00 H new ATOM 0 HA GLU A 4 2.098 10.427 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.173 10.817 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.359 12.053 0.708 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.450 11.013 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.602 9.708 0.506 1.00 0.00 H new ATOM 60 N GLN A 5 3.670 9.364 1.733 1.00 0.00 N ATOM 61 CA GLN A 5 5.007 9.383 2.391 1.00 0.00 C ATOM 62 C GLN A 5 6.098 9.098 1.356 1.00 0.00 C ATOM 63 O GLN A 5 7.193 9.618 1.439 1.00 0.00 O ATOM 64 CB GLN A 5 5.052 8.313 3.482 1.00 0.00 C ATOM 65 CG GLN A 5 5.990 8.766 4.602 1.00 0.00 C ATOM 66 CD GLN A 5 5.181 9.028 5.872 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.974 8.897 5.875 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.800 9.396 6.961 1.00 0.00 N ATOM 0 H GLN A 5 2.999 8.707 2.131 1.00 0.00 H new ATOM 0 HA GLN A 5 5.176 10.365 2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.051 8.140 3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.397 7.367 3.065 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.744 8.002 4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.520 9.670 4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.814 9.506 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.270 9.573 7.814 1.00 0.00 H new ATOM 77 N CYS A 6 5.814 8.274 0.386 1.00 0.00 N ATOM 78 CA CYS A 6 6.844 7.958 -0.643 1.00 0.00 C ATOM 79 C CYS A 6 6.586 8.775 -1.906 1.00 0.00 C ATOM 80 O CYS A 6 7.497 9.110 -2.638 1.00 0.00 O ATOM 81 CB CYS A 6 6.788 6.468 -0.984 1.00 0.00 C ATOM 82 SG CYS A 6 8.033 5.580 -0.016 1.00 0.00 S ATOM 0 H CYS A 6 4.916 7.807 0.261 1.00 0.00 H new ATOM 0 HA CYS A 6 7.829 8.207 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.795 6.072 -0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.967 6.321 -2.049 1.00 0.00 H new ATOM 87 N CYS A 7 5.356 9.097 -2.171 1.00 0.00 N ATOM 88 CA CYS A 7 5.046 9.891 -3.393 1.00 0.00 C ATOM 89 C CYS A 7 5.181 11.382 -3.079 1.00 0.00 C ATOM 90 O CYS A 7 5.368 12.197 -3.960 1.00 0.00 O ATOM 91 CB CYS A 7 3.622 9.583 -3.858 1.00 0.00 C ATOM 92 SG CYS A 7 3.520 9.795 -5.652 1.00 0.00 S ATOM 0 H CYS A 7 4.550 8.847 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 7 5.745 9.626 -4.187 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.350 8.563 -3.585 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.913 10.246 -3.361 1.00 0.00 H new ATOM 97 N THR A 8 5.099 11.743 -1.828 1.00 0.00 N ATOM 98 CA THR A 8 5.235 13.179 -1.456 1.00 0.00 C ATOM 99 C THR A 8 6.553 13.378 -0.711 1.00 0.00 C ATOM 100 O THR A 8 7.175 14.419 -0.784 1.00 0.00 O ATOM 101 CB THR A 8 4.070 13.592 -0.554 1.00 0.00 C ATOM 102 OG1 THR A 8 2.844 13.410 -1.252 1.00 0.00 O ATOM 103 CG2 THR A 8 4.225 15.060 -0.161 1.00 0.00 C ATOM 0 H THR A 8 4.944 11.105 -1.047 1.00 0.00 H new ATOM 0 HA THR A 8 5.224 13.793 -2.357 1.00 0.00 H new ATOM 0 HB THR A 8 4.069 12.976 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.097 13.673 -0.675 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.395 15.354 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.165 15.196 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.226 15.679 -1.058 1.00 0.00 H new ATOM 111 N SER A 9 6.980 12.378 0.002 1.00 0.00 N ATOM 112 CA SER A 9 8.260 12.484 0.759 1.00 0.00 C ATOM 113 C SER A 9 9.096 11.225 0.519 1.00 0.00 C ATOM 114 O SER A 9 9.014 10.603 -0.521 1.00 0.00 O ATOM 115 CB SER A 9 7.962 12.617 2.253 1.00 0.00 C ATOM 116 OG SER A 9 8.888 13.525 2.836 1.00 0.00 O ATOM 0 H SER A 9 6.496 11.485 0.095 1.00 0.00 H new ATOM 0 HA SER A 9 8.811 13.361 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.943 12.973 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.034 11.644 2.738 1.00 0.00 H new ATOM 0 HG SER A 9 8.700 13.615 3.794 1.00 0.00 H new ATOM 122 N ILE A 10 9.899 10.841 1.475 1.00 0.00 N ATOM 123 CA ILE A 10 10.735 9.620 1.298 1.00 0.00 C ATOM 124 C ILE A 10 10.405 8.613 2.402 1.00 0.00 C ATOM 125 O ILE A 10 9.942 8.973 3.467 1.00 0.00 O ATOM 126 CB ILE A 10 12.221 9.991 1.387 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.648 10.771 0.138 1.00 0.00 C ATOM 128 CG2 ILE A 10 13.059 8.719 1.505 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.100 12.196 0.223 1.00 0.00 C ATOM 0 H ILE A 10 10.012 11.319 2.369 1.00 0.00 H new ATOM 0 HA ILE A 10 10.526 9.182 0.322 1.00 0.00 H new ATOM 0 HB ILE A 10 12.377 10.616 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.735 10.791 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.274 10.278 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.115 8.983 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.767 8.173 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.894 8.092 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.401 12.755 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.012 12.165 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.496 12.686 1.113 1.00 0.00 H new ATOM 141 N CYS A 11 10.646 7.354 2.159 1.00 0.00 N ATOM 142 CA CYS A 11 10.352 6.326 3.201 1.00 0.00 C ATOM 143 C CYS A 11 11.560 5.400 3.350 1.00 0.00 C ATOM 144 O CYS A 11 12.204 5.045 2.381 1.00 0.00 O ATOM 145 CB CYS A 11 9.123 5.497 2.804 1.00 0.00 C ATOM 146 SG CYS A 11 8.001 6.492 1.787 1.00 0.00 S ATOM 0 H CYS A 11 11.033 6.992 1.287 1.00 0.00 H new ATOM 0 HA CYS A 11 10.147 6.829 4.146 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.436 4.610 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.605 5.150 3.698 1.00 0.00 H new ATOM 151 N SER A 12 11.874 5.005 4.553 1.00 0.00 N ATOM 152 CA SER A 12 13.042 4.103 4.759 1.00 0.00 C ATOM 153 C SER A 12 12.621 2.656 4.495 1.00 0.00 C ATOM 154 O SER A 12 11.507 2.262 4.777 1.00 0.00 O ATOM 155 CB SER A 12 13.539 4.233 6.198 1.00 0.00 C ATOM 156 OG SER A 12 12.520 3.797 7.088 1.00 0.00 O ATOM 0 H SER A 12 11.373 5.268 5.402 1.00 0.00 H new ATOM 0 HA SER A 12 13.841 4.381 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.440 3.637 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.805 5.268 6.411 1.00 0.00 H new ATOM 0 HG SER A 12 12.836 3.877 8.012 1.00 0.00 H new ATOM 162 N LEU A 13 13.504 1.860 3.956 1.00 0.00 N ATOM 163 CA LEU A 13 13.151 0.440 3.676 1.00 0.00 C ATOM 164 C LEU A 13 12.467 -0.163 4.904 1.00 0.00 C ATOM 165 O LEU A 13 11.442 -0.808 4.798 1.00 0.00 O ATOM 166 CB LEU A 13 14.422 -0.350 3.359 1.00 0.00 C ATOM 167 CG LEU A 13 15.061 0.199 2.083 1.00 0.00 C ATOM 168 CD1 LEU A 13 16.176 -0.742 1.623 1.00 0.00 C ATOM 169 CD2 LEU A 13 14.000 0.305 0.986 1.00 0.00 C ATOM 0 H LEU A 13 14.453 2.131 3.698 1.00 0.00 H new ATOM 0 HA LEU A 13 12.475 0.394 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.124 -0.278 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.184 -1.406 3.234 1.00 0.00 H new ATOM 0 HG LEU A 13 15.478 1.186 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.631 -0.350 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 13 16.933 -0.818 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.760 -1.729 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.455 0.696 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.582 -0.682 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.205 0.976 1.312 1.00 0.00 H new ATOM 181 N TYR A 14 13.017 0.047 6.070 1.00 0.00 N ATOM 182 CA TYR A 14 12.383 -0.511 7.296 1.00 0.00 C ATOM 183 C TYR A 14 10.883 -0.232 7.241 1.00 0.00 C ATOM 184 O TYR A 14 10.068 -1.099 7.484 1.00 0.00 O ATOM 185 CB TYR A 14 12.982 0.156 8.537 1.00 0.00 C ATOM 186 CG TYR A 14 12.252 -0.325 9.768 1.00 0.00 C ATOM 187 CD1 TYR A 14 11.680 -1.604 9.788 1.00 0.00 C ATOM 188 CD2 TYR A 14 12.147 0.507 10.890 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.003 -2.050 10.931 1.00 0.00 C ATOM 190 CE2 TYR A 14 11.470 0.060 12.033 1.00 0.00 C ATOM 191 CZ TYR A 14 10.898 -1.218 12.053 1.00 0.00 C ATOM 192 OH TYR A 14 10.230 -1.658 13.178 1.00 0.00 O ATOM 0 H TYR A 14 13.874 0.578 6.225 1.00 0.00 H new ATOM 0 HA TYR A 14 12.562 -1.585 7.349 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.043 -0.081 8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 14 12.903 1.240 8.454 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.761 -2.246 8.923 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.588 1.493 10.874 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.562 -3.036 10.947 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.390 0.701 12.898 1.00 0.00 H new ATOM 0 HH TYR A 14 10.251 -0.959 13.865 1.00 0.00 H new ATOM 202 N GLN A 15 10.516 0.974 6.909 1.00 0.00 N ATOM 203 CA GLN A 15 9.068 1.314 6.821 1.00 0.00 C ATOM 204 C GLN A 15 8.469 0.611 5.605 1.00 0.00 C ATOM 205 O GLN A 15 7.363 0.110 5.641 1.00 0.00 O ATOM 206 CB GLN A 15 8.893 2.827 6.664 1.00 0.00 C ATOM 207 CG GLN A 15 8.802 3.480 8.043 1.00 0.00 C ATOM 208 CD GLN A 15 7.504 3.049 8.728 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.523 2.762 8.071 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.456 2.991 10.031 1.00 0.00 N ATOM 0 H GLN A 15 11.156 1.739 6.695 1.00 0.00 H new ATOM 0 HA GLN A 15 8.564 0.989 7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.732 3.244 6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.992 3.041 6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.659 3.191 8.651 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.831 4.565 7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.279 3.232 10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.595 2.705 10.497 1.00 0.00 H new ATOM 219 N LEU A 16 9.198 0.575 4.523 1.00 0.00 N ATOM 220 CA LEU A 16 8.684 -0.090 3.297 1.00 0.00 C ATOM 221 C LEU A 16 8.615 -1.599 3.528 1.00 0.00 C ATOM 222 O LEU A 16 7.841 -2.299 2.906 1.00 0.00 O ATOM 223 CB LEU A 16 9.625 0.214 2.127 1.00 0.00 C ATOM 224 CG LEU A 16 8.805 0.662 0.918 1.00 0.00 C ATOM 225 CD1 LEU A 16 8.962 2.172 0.724 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.300 -0.064 -0.335 1.00 0.00 C ATOM 0 H LEU A 16 10.130 0.980 4.437 1.00 0.00 H new ATOM 0 HA LEU A 16 7.686 0.283 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.333 0.993 2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.209 -0.672 1.876 1.00 0.00 H new ATOM 0 HG LEU A 16 7.755 0.423 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.377 2.491 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.609 2.692 1.614 1.00 0.00 H new ATOM 0 HD13 LEU A 16 10.013 2.410 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.714 0.257 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.351 0.173 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.188 -1.140 -0.200 1.00 0.00 H new ATOM 238 N GLU A 17 9.415 -2.104 4.423 1.00 0.00 N ATOM 239 CA GLU A 17 9.394 -3.568 4.695 1.00 0.00 C ATOM 240 C GLU A 17 8.218 -3.897 5.611 1.00 0.00 C ATOM 241 O GLU A 17 7.790 -5.030 5.707 1.00 0.00 O ATOM 242 CB GLU A 17 10.701 -3.990 5.368 1.00 0.00 C ATOM 243 CG GLU A 17 11.847 -3.895 4.361 1.00 0.00 C ATOM 244 CD GLU A 17 13.113 -4.505 4.968 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.181 -5.720 5.050 1.00 0.00 O ATOM 246 OE2 GLU A 17 13.991 -3.746 5.340 1.00 0.00 O ATOM 0 H GLU A 17 10.082 -1.568 4.978 1.00 0.00 H new ATOM 0 HA GLU A 17 9.286 -4.108 3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.903 -3.350 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.616 -5.010 5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.582 -4.419 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.025 -2.853 4.094 1.00 0.00 H new ATOM 253 N ASN A 18 7.674 -2.911 6.267 1.00 0.00 N ATOM 254 CA ASN A 18 6.509 -3.166 7.153 1.00 0.00 C ATOM 255 C ASN A 18 5.264 -3.352 6.282 1.00 0.00 C ATOM 256 O ASN A 18 4.172 -3.554 6.774 1.00 0.00 O ATOM 257 CB ASN A 18 6.303 -1.966 8.079 1.00 0.00 C ATOM 258 CG ASN A 18 6.900 -2.270 9.454 1.00 0.00 C ATOM 259 OD1 ASN A 18 7.805 -1.593 9.900 1.00 0.00 O ATOM 260 ND2 ASN A 18 6.427 -3.267 10.150 1.00 0.00 N ATOM 0 H ASN A 18 7.987 -1.941 6.227 1.00 0.00 H new ATOM 0 HA ASN A 18 6.684 -4.059 7.752 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.776 -1.081 7.654 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.240 -1.745 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.817 -3.478 11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.667 -3.835 9.776 1.00 0.00 H new ATOM 267 N TYR A 19 5.425 -3.268 4.987 1.00 0.00 N ATOM 268 CA TYR A 19 4.265 -3.420 4.074 1.00 0.00 C ATOM 269 C TYR A 19 4.327 -4.782 3.382 1.00 0.00 C ATOM 270 O TYR A 19 3.400 -5.192 2.711 1.00 0.00 O ATOM 271 CB TYR A 19 4.331 -2.305 3.037 1.00 0.00 C ATOM 272 CG TYR A 19 4.116 -0.977 3.733 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.815 -0.490 3.939 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.218 -0.237 4.183 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.622 0.734 4.593 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.023 0.986 4.836 1.00 0.00 C ATOM 277 CZ TYR A 19 3.725 1.472 5.041 1.00 0.00 C ATOM 278 OH TYR A 19 3.533 2.677 5.685 1.00 0.00 O ATOM 0 H TYR A 19 6.318 -3.099 4.524 1.00 0.00 H new ATOM 0 HA TYR A 19 3.331 -3.359 4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.298 -2.315 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.571 -2.457 2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.964 -1.058 3.594 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.219 -0.611 4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.622 1.109 4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.873 1.555 5.182 1.00 0.00 H new ATOM 0 HH TYR A 19 4.402 3.059 5.931 1.00 0.00 H new ATOM 288 N CYS A 20 5.414 -5.486 3.537 1.00 0.00 N ATOM 289 CA CYS A 20 5.533 -6.818 2.886 1.00 0.00 C ATOM 290 C CYS A 20 4.732 -7.848 3.685 1.00 0.00 C ATOM 291 O CYS A 20 5.064 -8.169 4.810 1.00 0.00 O ATOM 292 CB CYS A 20 7.002 -7.240 2.845 1.00 0.00 C ATOM 293 SG CYS A 20 8.041 -5.820 2.417 1.00 0.00 S ATOM 0 H CYS A 20 6.223 -5.196 4.086 1.00 0.00 H new ATOM 0 HA CYS A 20 5.144 -6.760 1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.301 -7.641 3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.140 -8.036 2.113 1.00 0.00 H new ATOM 298 N ASN A 21 3.680 -8.369 3.115 1.00 0.00 N ATOM 299 CA ASN A 21 2.861 -9.378 3.844 1.00 0.00 C ATOM 300 C ASN A 21 2.209 -8.722 5.062 1.00 0.00 C ATOM 301 O ASN A 21 2.911 -8.038 5.789 1.00 0.00 O ATOM 302 CB ASN A 21 3.760 -10.527 4.305 1.00 0.00 C ATOM 303 CG ASN A 21 2.896 -11.724 4.709 1.00 0.00 C ATOM 304 OD1 ASN A 21 1.775 -11.857 4.262 1.00 0.00 O ATOM 305 ND2 ASN A 21 3.375 -12.605 5.545 1.00 0.00 N ATOM 306 OXT ASN A 21 1.019 -8.913 5.249 1.00 0.00 O ATOM 0 H ASN A 21 3.353 -8.140 2.177 1.00 0.00 H new ATOM 0 HA ASN A 21 2.087 -9.765 3.181 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.443 -10.812 3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.373 -10.207 5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.807 -13.406 5.823 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.317 -12.493 5.920 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 19.948 2.667 -1.025 1.00 0.00 N ATOM 315 CA PHE B 1 18.977 3.751 -1.344 1.00 0.00 C ATOM 316 C PHE B 1 19.198 4.931 -0.396 1.00 0.00 C ATOM 317 O PHE B 1 19.042 4.814 0.802 1.00 0.00 O ATOM 318 CB PHE B 1 17.550 3.227 -1.173 1.00 0.00 C ATOM 319 CG PHE B 1 17.232 2.245 -2.275 1.00 0.00 C ATOM 320 CD1 PHE B 1 17.563 2.548 -3.603 1.00 0.00 C ATOM 321 CD2 PHE B 1 16.602 1.031 -1.969 1.00 0.00 C ATOM 322 CE1 PHE B 1 17.263 1.637 -4.624 1.00 0.00 C ATOM 323 CE2 PHE B 1 16.302 0.120 -2.991 1.00 0.00 C ATOM 324 CZ PHE B 1 16.633 0.422 -4.318 1.00 0.00 C ATOM 0 H1 PHE B 1 19.593 1.763 -1.395 1.00 0.00 H new ATOM 0 H2 PHE B 1 20.866 2.884 -1.463 1.00 0.00 H new ATOM 0 H3 PHE B 1 20.064 2.597 0.006 1.00 0.00 H new ATOM 0 HA PHE B 1 19.126 4.076 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE B 1 17.444 2.745 -0.201 1.00 0.00 H new ATOM 0 HB3 PHE B 1 16.843 4.056 -1.196 1.00 0.00 H new ATOM 0 HD1 PHE B 1 18.049 3.483 -3.839 1.00 0.00 H new ATOM 0 HD2 PHE B 1 16.348 0.797 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE B 1 17.517 1.870 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE B 1 15.816 -0.815 -2.755 1.00 0.00 H new ATOM 0 HZ PHE B 1 16.403 -0.281 -5.105 1.00 0.00 H new ATOM 336 N VAL B 2 19.558 6.069 -0.923 1.00 0.00 N ATOM 337 CA VAL B 2 19.784 7.255 -0.050 1.00 0.00 C ATOM 338 C VAL B 2 18.492 8.069 0.036 1.00 0.00 C ATOM 339 O VAL B 2 18.378 9.133 -0.541 1.00 0.00 O ATOM 340 CB VAL B 2 20.894 8.123 -0.643 1.00 0.00 C ATOM 341 CG1 VAL B 2 22.192 7.317 -0.712 1.00 0.00 C ATOM 342 CG2 VAL B 2 20.497 8.569 -2.052 1.00 0.00 C ATOM 0 H VAL B 2 19.705 6.229 -1.920 1.00 0.00 H new ATOM 0 HA VAL B 2 20.078 6.925 0.946 1.00 0.00 H new ATOM 0 HB VAL B 2 21.043 8.999 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL B 2 22.983 7.936 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL B 2 22.477 7.000 0.291 1.00 0.00 H new ATOM 0 HG13 VAL B 2 22.043 6.440 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL B 2 21.289 9.188 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL B 2 20.346 7.692 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL B 2 19.573 9.145 -2.004 1.00 0.00 H new ATOM 352 N ASN B 3 17.514 7.575 0.746 1.00 0.00 N ATOM 353 CA ASN B 3 16.229 8.319 0.860 1.00 0.00 C ATOM 354 C ASN B 3 15.659 8.555 -0.536 1.00 0.00 C ATOM 355 O ASN B 3 16.186 9.330 -1.310 1.00 0.00 O ATOM 356 CB ASN B 3 16.472 9.664 1.549 1.00 0.00 C ATOM 357 CG ASN B 3 16.604 9.449 3.057 1.00 0.00 C ATOM 358 OD1 ASN B 3 17.369 8.614 3.498 1.00 0.00 O ATOM 359 ND2 ASN B 3 15.887 10.172 3.872 1.00 0.00 N ATOM 0 H ASN B 3 17.550 6.690 1.251 1.00 0.00 H new ATOM 0 HA ASN B 3 15.522 7.737 1.450 1.00 0.00 H new ATOM 0 HB2 ASN B 3 17.377 10.127 1.157 1.00 0.00 H new ATOM 0 HB3 ASN B 3 15.648 10.346 1.339 1.00 0.00 H new ATOM 0 HD21 ASN B 3 15.968 10.037 4.880 1.00 0.00 H new ATOM 0 HD22 ASN B 3 15.245 10.873 3.502 1.00 0.00 H new ATOM 366 N GLN B 4 14.597 7.879 -0.875 1.00 0.00 N ATOM 367 CA GLN B 4 14.012 8.054 -2.230 1.00 0.00 C ATOM 368 C GLN B 4 12.484 8.157 -2.142 1.00 0.00 C ATOM 369 O GLN B 4 11.876 7.807 -1.145 1.00 0.00 O ATOM 370 CB GLN B 4 14.414 6.848 -3.085 1.00 0.00 C ATOM 371 CG GLN B 4 13.467 6.700 -4.280 1.00 0.00 C ATOM 372 CD GLN B 4 13.969 5.581 -5.194 1.00 0.00 C ATOM 373 OE1 GLN B 4 13.810 5.645 -6.397 1.00 0.00 O ATOM 374 NE2 GLN B 4 14.574 4.549 -4.671 1.00 0.00 N ATOM 0 H GLN B 4 14.111 7.215 -0.273 1.00 0.00 H new ATOM 0 HA GLN B 4 14.385 8.973 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.438 6.970 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.391 5.942 -2.480 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.459 6.475 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.412 7.638 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.708 4.494 -3.661 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.913 3.798 -5.272 1.00 0.00 H new ATOM 383 N HIS B 5 11.864 8.633 -3.191 1.00 0.00 N ATOM 384 CA HIS B 5 10.385 8.766 -3.201 1.00 0.00 C ATOM 385 C HIS B 5 9.787 7.662 -4.075 1.00 0.00 C ATOM 386 O HIS B 5 10.340 7.296 -5.094 1.00 0.00 O ATOM 387 CB HIS B 5 9.998 10.128 -3.783 1.00 0.00 C ATOM 388 CG HIS B 5 10.878 11.209 -3.214 1.00 0.00 C ATOM 389 ND1 HIS B 5 10.344 12.382 -2.724 1.00 0.00 N ATOM 390 CD2 HIS B 5 12.239 11.293 -3.081 1.00 0.00 C ATOM 391 CE1 HIS B 5 11.375 13.134 -2.315 1.00 0.00 C ATOM 392 NE2 HIS B 5 12.554 12.509 -2.513 1.00 0.00 N ATOM 0 H HIS B 5 12.328 8.937 -4.047 1.00 0.00 H new ATOM 0 HA HIS B 5 10.005 8.681 -2.183 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.092 10.107 -4.869 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.954 10.344 -3.558 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.948 10.532 -3.373 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.275 14.118 -1.881 1.00 0.00 H new ATOM 0 HE2 HIS B 5 13.484 12.862 -2.289 1.00 0.00 H new ATOM 400 N LEU B 6 8.660 7.135 -3.691 1.00 0.00 N ATOM 401 CA LEU B 6 8.022 6.059 -4.501 1.00 0.00 C ATOM 402 C LEU B 6 6.555 6.422 -4.756 1.00 0.00 C ATOM 403 O LEU B 6 6.097 7.481 -4.375 1.00 0.00 O ATOM 404 CB LEU B 6 8.117 4.733 -3.742 1.00 0.00 C ATOM 405 CG LEU B 6 9.547 4.559 -3.223 1.00 0.00 C ATOM 406 CD1 LEU B 6 9.648 3.272 -2.406 1.00 0.00 C ATOM 407 CD2 LEU B 6 10.511 4.481 -4.408 1.00 0.00 C ATOM 0 H LEU B 6 8.151 7.403 -2.849 1.00 0.00 H new ATOM 0 HA LEU B 6 8.534 5.957 -5.458 1.00 0.00 H new ATOM 0 HB2 LEU B 6 7.411 4.723 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.850 3.904 -4.397 1.00 0.00 H new ATOM 0 HG LEU B 6 9.806 5.409 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU B 6 10.667 3.153 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU B 6 8.962 3.323 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU B 6 9.387 2.421 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU B 6 11.530 4.357 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.246 3.631 -5.037 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.445 5.399 -4.992 1.00 0.00 H new ATOM 419 N CYS B 7 5.813 5.562 -5.403 1.00 0.00 N ATOM 420 CA CYS B 7 4.383 5.881 -5.682 1.00 0.00 C ATOM 421 C CYS B 7 3.693 4.678 -6.314 1.00 0.00 C ATOM 422 O CYS B 7 4.159 4.138 -7.293 1.00 0.00 O ATOM 423 CB CYS B 7 4.299 7.047 -6.666 1.00 0.00 C ATOM 424 SG CYS B 7 2.814 8.024 -6.318 1.00 0.00 S ATOM 0 H CYS B 7 6.134 4.657 -5.748 1.00 0.00 H new ATOM 0 HA CYS B 7 3.896 6.140 -4.742 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.187 7.673 -6.581 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.269 6.672 -7.689 1.00 0.00 H new ATOM 429 N GLY B 8 2.572 4.282 -5.773 1.00 0.00 N ATOM 430 CA GLY B 8 1.810 3.132 -6.341 1.00 0.00 C ATOM 431 C GLY B 8 2.754 2.051 -6.873 1.00 0.00 C ATOM 432 O GLY B 8 3.103 1.120 -6.174 1.00 0.00 O ATOM 0 H GLY B 8 2.147 4.712 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.162 2.707 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.164 3.482 -7.146 1.00 0.00 H new ATOM 436 N SER B 9 3.162 2.165 -8.107 1.00 0.00 N ATOM 437 CA SER B 9 4.073 1.139 -8.690 1.00 0.00 C ATOM 438 C SER B 9 5.425 1.205 -7.987 1.00 0.00 C ATOM 439 O SER B 9 5.857 0.252 -7.376 1.00 0.00 O ATOM 440 CB SER B 9 4.259 1.406 -10.184 1.00 0.00 C ATOM 441 OG SER B 9 3.511 2.557 -10.551 1.00 0.00 O ATOM 0 H SER B 9 2.904 2.924 -8.737 1.00 0.00 H new ATOM 0 HA SER B 9 3.639 0.148 -8.553 1.00 0.00 H new ATOM 0 HB2 SER B 9 5.315 1.557 -10.410 1.00 0.00 H new ATOM 0 HB3 SER B 9 3.929 0.544 -10.763 1.00 0.00 H new ATOM 0 HG SER B 9 3.629 2.732 -11.508 1.00 0.00 H new ATOM 447 N ASP B 10 6.095 2.324 -8.056 1.00 0.00 N ATOM 448 CA ASP B 10 7.414 2.434 -7.370 1.00 0.00 C ATOM 449 C ASP B 10 7.268 1.848 -5.968 1.00 0.00 C ATOM 450 O ASP B 10 8.194 1.289 -5.414 1.00 0.00 O ATOM 451 CB ASP B 10 7.827 3.902 -7.281 1.00 0.00 C ATOM 452 CG ASP B 10 8.841 4.215 -8.385 1.00 0.00 C ATOM 453 OD1 ASP B 10 9.317 3.280 -9.007 1.00 0.00 O ATOM 454 OD2 ASP B 10 9.124 5.384 -8.587 1.00 0.00 O ATOM 0 H ASP B 10 5.789 3.160 -8.554 1.00 0.00 H new ATOM 0 HA ASP B 10 8.179 1.892 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP B 10 6.952 4.544 -7.384 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.262 4.110 -6.303 1.00 0.00 H new ATOM 459 N LEU B 11 6.095 1.950 -5.404 1.00 0.00 N ATOM 460 CA LEU B 11 5.866 1.376 -4.054 1.00 0.00 C ATOM 461 C LEU B 11 5.840 -0.144 -4.189 1.00 0.00 C ATOM 462 O LEU B 11 6.555 -0.853 -3.508 1.00 0.00 O ATOM 463 CB LEU B 11 4.528 1.872 -3.506 1.00 0.00 C ATOM 464 CG LEU B 11 4.712 3.270 -2.917 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.342 3.881 -2.622 1.00 0.00 C ATOM 466 CD2 LEU B 11 5.518 3.170 -1.620 1.00 0.00 C ATOM 0 H LEU B 11 5.286 2.408 -5.824 1.00 0.00 H new ATOM 0 HA LEU B 11 6.657 1.681 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.782 1.895 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.159 1.188 -2.742 1.00 0.00 H new ATOM 0 HG LEU B 11 5.244 3.901 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.471 4.878 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.767 3.948 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.809 3.253 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.651 4.166 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.984 2.541 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.494 2.732 -1.831 1.00 0.00 H new ATOM 478 N VAL B 12 5.042 -0.649 -5.092 1.00 0.00 N ATOM 479 CA VAL B 12 4.995 -2.117 -5.303 1.00 0.00 C ATOM 480 C VAL B 12 6.334 -2.541 -5.917 1.00 0.00 C ATOM 481 O VAL B 12 6.694 -3.701 -5.928 1.00 0.00 O ATOM 482 CB VAL B 12 3.824 -2.470 -6.245 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.720 -1.424 -6.127 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.290 -2.533 -7.703 1.00 0.00 C ATOM 0 H VAL B 12 4.422 -0.104 -5.691 1.00 0.00 H new ATOM 0 HA VAL B 12 4.836 -2.642 -4.361 1.00 0.00 H new ATOM 0 HB VAL B 12 3.444 -3.448 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.900 -1.684 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.355 -1.394 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.115 -0.446 -6.400 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.445 -2.783 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.695 -1.565 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.062 -3.296 -7.806 1.00 0.00 H new ATOM 494 N GLU B 13 7.070 -1.586 -6.420 1.00 0.00 N ATOM 495 CA GLU B 13 8.387 -1.882 -7.032 1.00 0.00 C ATOM 496 C GLU B 13 9.437 -1.868 -5.925 1.00 0.00 C ATOM 497 O GLU B 13 10.184 -2.811 -5.751 1.00 0.00 O ATOM 498 CB GLU B 13 8.688 -0.806 -8.072 1.00 0.00 C ATOM 499 CG GLU B 13 8.451 -1.374 -9.471 1.00 0.00 C ATOM 500 CD GLU B 13 8.909 -0.361 -10.521 1.00 0.00 C ATOM 501 OE1 GLU B 13 10.095 -0.324 -10.802 1.00 0.00 O ATOM 502 OE2 GLU B 13 8.066 0.361 -11.027 1.00 0.00 O ATOM 0 H GLU B 13 6.806 -0.601 -6.430 1.00 0.00 H new ATOM 0 HA GLU B 13 8.390 -2.857 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.051 0.063 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.720 -0.468 -7.974 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.997 -2.310 -9.592 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.394 -1.602 -9.608 1.00 0.00 H new ATOM 509 N ALA B 14 9.473 -0.824 -5.144 1.00 0.00 N ATOM 510 CA ALA B 14 10.444 -0.790 -4.022 1.00 0.00 C ATOM 511 C ALA B 14 10.094 -1.957 -3.105 1.00 0.00 C ATOM 512 O ALA B 14 10.940 -2.735 -2.714 1.00 0.00 O ATOM 513 CB ALA B 14 10.314 0.531 -3.258 1.00 0.00 C ATOM 0 H ALA B 14 8.877 -0.001 -5.235 1.00 0.00 H new ATOM 0 HA ALA B 14 11.468 -0.869 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.030 0.548 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.516 1.363 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.303 0.624 -2.861 1.00 0.00 H new ATOM 519 N LEU B 15 8.831 -2.101 -2.799 1.00 0.00 N ATOM 520 CA LEU B 15 8.381 -3.228 -1.949 1.00 0.00 C ATOM 521 C LEU B 15 8.801 -4.530 -2.629 1.00 0.00 C ATOM 522 O LEU B 15 9.305 -5.445 -2.009 1.00 0.00 O ATOM 523 CB LEU B 15 6.857 -3.177 -1.855 1.00 0.00 C ATOM 524 CG LEU B 15 6.433 -2.089 -0.870 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.036 -1.582 -1.238 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.404 -2.667 0.544 1.00 0.00 C ATOM 0 H LEU B 15 8.088 -1.475 -3.109 1.00 0.00 H new ATOM 0 HA LEU B 15 8.817 -3.167 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.430 -2.977 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.471 -4.144 -1.531 1.00 0.00 H new ATOM 0 HG LEU B 15 7.144 -1.264 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU B 15 4.734 -0.806 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.052 -1.171 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.326 -2.408 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU B 15 6.102 -1.892 1.248 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.693 -3.492 0.585 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.397 -3.030 0.809 1.00 0.00 H new ATOM 538 N TYR B 16 8.591 -4.599 -3.912 1.00 0.00 N ATOM 539 CA TYR B 16 8.961 -5.812 -4.692 1.00 0.00 C ATOM 540 C TYR B 16 10.312 -6.358 -4.232 1.00 0.00 C ATOM 541 O TYR B 16 10.445 -7.515 -3.893 1.00 0.00 O ATOM 542 CB TYR B 16 9.080 -5.423 -6.162 1.00 0.00 C ATOM 543 CG TYR B 16 8.069 -6.186 -6.977 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.934 -7.568 -6.807 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.264 -5.509 -7.902 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.992 -8.278 -7.564 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.322 -6.216 -8.660 1.00 0.00 C ATOM 548 CZ TYR B 16 6.186 -7.601 -8.491 1.00 0.00 C ATOM 549 OH TYR B 16 5.259 -8.299 -9.236 1.00 0.00 O ATOM 0 H TYR B 16 8.170 -3.852 -4.464 1.00 0.00 H new ATOM 0 HA TYR B 16 8.197 -6.575 -4.543 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.919 -4.351 -6.278 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.086 -5.635 -6.523 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.555 -8.088 -6.093 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.370 -4.442 -8.031 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.887 -9.345 -7.434 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.701 -5.695 -9.374 1.00 0.00 H new ATOM 0 HH TYR B 16 4.783 -7.681 -9.829 1.00 0.00 H new ATOM 559 N LEU B 17 11.321 -5.538 -4.258 1.00 0.00 N ATOM 560 CA LEU B 17 12.677 -6.005 -3.866 1.00 0.00 C ATOM 561 C LEU B 17 12.774 -6.186 -2.348 1.00 0.00 C ATOM 562 O LEU B 17 13.084 -7.256 -1.863 1.00 0.00 O ATOM 563 CB LEU B 17 13.701 -4.969 -4.328 1.00 0.00 C ATOM 564 CG LEU B 17 14.979 -5.671 -4.791 1.00 0.00 C ATOM 565 CD1 LEU B 17 14.636 -6.715 -5.854 1.00 0.00 C ATOM 566 CD2 LEU B 17 15.931 -4.636 -5.391 1.00 0.00 C ATOM 0 H LEU B 17 11.265 -4.558 -4.536 1.00 0.00 H new ATOM 0 HA LEU B 17 12.874 -6.969 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.287 -4.374 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.928 -4.281 -3.514 1.00 0.00 H new ATOM 0 HG LEU B 17 15.452 -6.162 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU B 17 15.548 -7.213 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.951 -7.451 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.164 -6.225 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU B 17 16.844 -5.131 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU B 17 15.452 -4.151 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU B 17 16.177 -3.888 -4.637 1.00 0.00 H new ATOM 578 N VAL B 18 12.529 -5.152 -1.589 1.00 0.00 N ATOM 579 CA VAL B 18 12.628 -5.285 -0.105 1.00 0.00 C ATOM 580 C VAL B 18 11.769 -6.457 0.371 1.00 0.00 C ATOM 581 O VAL B 18 12.113 -7.156 1.303 1.00 0.00 O ATOM 582 CB VAL B 18 12.146 -4.004 0.570 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.303 -3.007 0.657 1.00 0.00 C ATOM 584 CG2 VAL B 18 11.008 -3.388 -0.240 1.00 0.00 C ATOM 0 H VAL B 18 12.266 -4.227 -1.928 1.00 0.00 H new ATOM 0 HA VAL B 18 13.670 -5.464 0.160 1.00 0.00 H new ATOM 0 HB VAL B 18 11.789 -4.240 1.572 1.00 0.00 H new ATOM 0 HG11 VAL B 18 12.959 -2.092 1.139 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.115 -3.442 1.240 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.661 -2.776 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.668 -2.474 0.247 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.361 -3.154 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.181 -4.095 -0.302 1.00 0.00 H new ATOM 594 N CYS B 19 10.656 -6.681 -0.266 1.00 0.00 N ATOM 595 CA CYS B 19 9.777 -7.810 0.137 1.00 0.00 C ATOM 596 C CYS B 19 10.160 -9.027 -0.694 1.00 0.00 C ATOM 597 O CYS B 19 10.597 -10.039 -0.184 1.00 0.00 O ATOM 598 CB CYS B 19 8.319 -7.445 -0.140 1.00 0.00 C ATOM 599 SG CYS B 19 8.004 -5.745 0.398 1.00 0.00 S ATOM 0 H CYS B 19 10.316 -6.128 -1.052 1.00 0.00 H new ATOM 0 HA CYS B 19 9.895 -8.022 1.200 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.104 -7.546 -1.204 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.656 -8.132 0.385 1.00 0.00 H new ATOM 604 N GLY B 20 10.015 -8.917 -1.981 1.00 0.00 N ATOM 605 CA GLY B 20 10.381 -10.042 -2.876 1.00 0.00 C ATOM 606 C GLY B 20 9.524 -11.269 -2.558 1.00 0.00 C ATOM 607 O GLY B 20 8.312 -11.195 -2.506 1.00 0.00 O ATOM 0 H GLY B 20 9.655 -8.088 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY B 20 10.239 -9.750 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.437 -10.285 -2.754 1.00 0.00 H new ATOM 611 N GLU B 21 10.144 -12.400 -2.354 1.00 0.00 N ATOM 612 CA GLU B 21 9.368 -13.636 -2.050 1.00 0.00 C ATOM 613 C GLU B 21 8.478 -13.409 -0.827 1.00 0.00 C ATOM 614 O GLU B 21 7.554 -14.157 -0.576 1.00 0.00 O ATOM 615 CB GLU B 21 10.335 -14.788 -1.767 1.00 0.00 C ATOM 616 CG GLU B 21 10.211 -15.840 -2.872 1.00 0.00 C ATOM 617 CD GLU B 21 11.307 -16.893 -2.701 1.00 0.00 C ATOM 618 OE1 GLU B 21 12.421 -16.514 -2.381 1.00 0.00 O ATOM 619 OE2 GLU B 21 11.014 -18.062 -2.894 1.00 0.00 O ATOM 0 H GLU B 21 11.156 -12.521 -2.385 1.00 0.00 H new ATOM 0 HA GLU B 21 8.742 -13.883 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.358 -14.415 -1.718 1.00 0.00 H new ATOM 0 HB3 GLU B 21 10.112 -15.235 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.229 -16.312 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.296 -15.367 -3.850 1.00 0.00 H new ATOM 626 N ARG B 22 8.745 -12.388 -0.061 1.00 0.00 N ATOM 627 CA ARG B 22 7.905 -12.127 1.142 1.00 0.00 C ATOM 628 C ARG B 22 6.484 -11.766 0.704 1.00 0.00 C ATOM 629 O ARG B 22 5.577 -11.691 1.509 1.00 0.00 O ATOM 630 CB ARG B 22 8.501 -10.970 1.947 1.00 0.00 C ATOM 631 CG ARG B 22 9.163 -11.516 3.214 1.00 0.00 C ATOM 632 CD ARG B 22 8.112 -12.213 4.080 1.00 0.00 C ATOM 633 NE ARG B 22 8.624 -13.548 4.503 1.00 0.00 N ATOM 634 CZ ARG B 22 7.800 -14.443 4.976 1.00 0.00 C ATOM 635 NH1 ARG B 22 6.658 -14.072 5.485 1.00 0.00 N ATOM 636 NH2 ARG B 22 8.120 -15.707 4.940 1.00 0.00 N ATOM 0 H ARG B 22 9.505 -11.725 -0.215 1.00 0.00 H new ATOM 0 HA ARG B 22 7.878 -13.022 1.764 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.233 -10.433 1.344 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.720 -10.256 2.211 1.00 0.00 H new ATOM 0 HG2 ARG B 22 9.955 -12.217 2.950 1.00 0.00 H new ATOM 0 HG3 ARG B 22 9.629 -10.704 3.772 1.00 0.00 H new ATOM 0 HD2 ARG B 22 7.885 -11.605 4.955 1.00 0.00 H new ATOM 0 HD3 ARG B 22 7.183 -12.328 3.522 1.00 0.00 H new ATOM 0 HE ARG B 22 9.618 -13.762 4.423 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.409 -13.083 5.513 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.013 -14.771 5.855 1.00 0.00 H new ATOM 0 HH21 ARG B 22 9.014 -15.996 4.542 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.476 -16.407 5.310 1.00 0.00 H new ATOM 650 N GLY B 23 6.283 -11.544 -0.566 1.00 0.00 N ATOM 651 CA GLY B 23 4.919 -11.188 -1.052 1.00 0.00 C ATOM 652 C GLY B 23 4.475 -9.873 -0.410 1.00 0.00 C ATOM 653 O GLY B 23 4.063 -9.838 0.732 1.00 0.00 O ATOM 0 H GLY B 23 7.003 -11.593 -1.287 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.922 -11.092 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY B 23 4.214 -11.982 -0.804 1.00 0.00 H new ATOM 657 N PHE B 24 4.556 -8.790 -1.135 1.00 0.00 N ATOM 658 CA PHE B 24 4.139 -7.479 -0.565 1.00 0.00 C ATOM 659 C PHE B 24 2.729 -7.133 -1.052 1.00 0.00 C ATOM 660 O PHE B 24 2.305 -7.563 -2.107 1.00 0.00 O ATOM 661 CB PHE B 24 5.126 -6.394 -1.010 1.00 0.00 C ATOM 662 CG PHE B 24 4.880 -6.037 -2.457 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.808 -5.203 -2.799 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.725 -6.540 -3.456 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.579 -4.872 -4.141 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.496 -6.208 -4.798 1.00 0.00 C ATOM 667 CZ PHE B 24 4.423 -5.374 -5.141 1.00 0.00 C ATOM 0 H PHE B 24 4.893 -8.758 -2.097 1.00 0.00 H new ATOM 0 HA PHE B 24 4.135 -7.538 0.523 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.013 -5.509 -0.384 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.149 -6.747 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE B 24 3.158 -4.815 -2.028 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.552 -7.183 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.752 -4.230 -4.405 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.147 -6.595 -5.568 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.247 -5.118 -6.175 1.00 0.00 H new ATOM 677 N PHE B 25 1.999 -6.362 -0.293 1.00 0.00 N ATOM 678 CA PHE B 25 0.619 -5.995 -0.717 1.00 0.00 C ATOM 679 C PHE B 25 0.464 -4.472 -0.698 1.00 0.00 C ATOM 680 O PHE B 25 0.153 -3.882 0.317 1.00 0.00 O ATOM 681 CB PHE B 25 -0.396 -6.627 0.239 1.00 0.00 C ATOM 682 CG PHE B 25 -0.205 -6.061 1.626 1.00 0.00 C ATOM 683 CD1 PHE B 25 0.930 -6.401 2.373 1.00 0.00 C ATOM 684 CD2 PHE B 25 -1.165 -5.195 2.166 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.107 -5.876 3.659 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.990 -4.670 3.453 1.00 0.00 C ATOM 687 CZ PHE B 25 0.146 -5.010 4.200 1.00 0.00 C ATOM 0 H PHE B 25 2.298 -5.971 0.600 1.00 0.00 H new ATOM 0 HA PHE B 25 0.441 -6.363 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.410 -6.430 -0.109 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.270 -7.710 0.256 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.670 -7.069 1.957 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -2.040 -4.932 1.590 1.00 0.00 H new ATOM 0 HE1 PHE B 25 1.983 -6.138 4.234 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -1.731 -4.003 3.870 1.00 0.00 H new ATOM 0 HZ PHE B 25 0.281 -4.605 5.192 1.00 0.00 H new ATOM 697 N TYR B 26 0.677 -3.832 -1.814 1.00 0.00 N ATOM 698 CA TYR B 26 0.542 -2.349 -1.861 1.00 0.00 C ATOM 699 C TYR B 26 -0.929 -1.967 -1.668 1.00 0.00 C ATOM 700 O TYR B 26 -1.794 -2.397 -2.404 1.00 0.00 O ATOM 701 CB TYR B 26 1.034 -1.836 -3.220 1.00 0.00 C ATOM 702 CG TYR B 26 0.590 -0.406 -3.418 1.00 0.00 C ATOM 703 CD1 TYR B 26 0.869 0.556 -2.439 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.105 -0.042 -4.580 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.455 1.882 -2.621 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.519 1.285 -4.762 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.239 2.246 -3.782 1.00 0.00 C ATOM 708 OH TYR B 26 -0.647 3.553 -3.961 1.00 0.00 O ATOM 0 H TYR B 26 0.939 -4.272 -2.696 1.00 0.00 H new ATOM 0 HA TYR B 26 1.140 -1.901 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.121 -1.899 -3.271 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.640 -2.463 -4.020 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.403 0.275 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.321 -0.784 -5.335 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.671 2.624 -1.866 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.054 1.566 -5.657 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.114 3.635 -4.819 1.00 0.00 H new ATOM 718 N THR B 27 -1.218 -1.160 -0.682 1.00 0.00 N ATOM 719 CA THR B 27 -2.631 -0.751 -0.444 1.00 0.00 C ATOM 720 C THR B 27 -2.957 0.472 -1.304 1.00 0.00 C ATOM 721 O THR B 27 -2.145 1.361 -1.470 1.00 0.00 O ATOM 722 CB THR B 27 -2.819 -0.401 1.035 1.00 0.00 C ATOM 723 OG1 THR B 27 -1.578 0.027 1.580 1.00 0.00 O ATOM 724 CG2 THR B 27 -3.314 -1.632 1.794 1.00 0.00 C ATOM 0 H THR B 27 -0.537 -0.767 -0.032 1.00 0.00 H new ATOM 0 HA THR B 27 -3.298 -1.571 -0.710 1.00 0.00 H new ATOM 0 HB THR B 27 -3.553 0.399 1.129 1.00 0.00 H new ATOM 0 HG1 THR B 27 -1.697 0.253 2.526 1.00 0.00 H new ATOM 0 HG21 THR B 27 -3.447 -1.381 2.846 1.00 0.00 H new ATOM 0 HG22 THR B 27 -4.266 -1.959 1.376 1.00 0.00 H new ATOM 0 HG23 THR B 27 -2.582 -2.435 1.702 1.00 0.00 H new ATOM 732 N LYS B 28 -4.139 0.525 -1.854 1.00 0.00 N ATOM 733 CA LYS B 28 -4.513 1.690 -2.705 1.00 0.00 C ATOM 734 C LYS B 28 -5.411 2.641 -1.907 1.00 0.00 C ATOM 735 O LYS B 28 -6.111 2.222 -1.008 1.00 0.00 O ATOM 736 CB LYS B 28 -5.267 1.198 -3.942 1.00 0.00 C ATOM 737 CG LYS B 28 -4.331 1.218 -5.152 1.00 0.00 C ATOM 738 CD LYS B 28 -5.123 0.887 -6.418 1.00 0.00 C ATOM 739 CE LYS B 28 -4.219 0.148 -7.406 1.00 0.00 C ATOM 740 NZ LYS B 28 -3.503 1.138 -8.259 1.00 0.00 N ATOM 0 H LYS B 28 -4.862 -0.187 -1.751 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.610 2.216 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.641 0.188 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.134 1.832 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.865 2.199 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.527 0.495 -5.014 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -5.987 0.271 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.504 1.802 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -3.501 -0.470 -6.867 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -4.813 -0.522 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -2.888 0.637 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -4.196 1.710 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -2.925 1.760 -7.658 1.00 0.00 H new ATOM 754 N PRO B 29 -5.359 3.899 -2.266 1.00 0.00 N ATOM 755 CA PRO B 29 -6.158 4.947 -1.606 1.00 0.00 C ATOM 756 C PRO B 29 -7.606 4.908 -2.105 1.00 0.00 C ATOM 757 O PRO B 29 -7.864 4.882 -3.292 1.00 0.00 O ATOM 758 CB PRO B 29 -5.469 6.245 -2.035 1.00 0.00 C ATOM 759 CG PRO B 29 -4.696 5.919 -3.336 1.00 0.00 C ATOM 760 CD PRO B 29 -4.502 4.392 -3.362 1.00 0.00 C ATOM 0 HA PRO B 29 -6.206 4.833 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -6.200 7.035 -2.205 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -4.791 6.600 -1.259 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -5.252 6.254 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -3.734 6.432 -3.354 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.800 3.969 -4.321 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.458 4.120 -3.204 1.00 0.00 H new ATOM 768 N THR B 30 -8.552 4.901 -1.206 1.00 0.00 N ATOM 769 CA THR B 30 -9.980 4.864 -1.630 1.00 0.00 C ATOM 770 C THR B 30 -10.274 3.530 -2.317 1.00 0.00 C ATOM 771 O THR B 30 -10.416 2.543 -1.614 1.00 0.00 O ATOM 772 CB THR B 30 -10.253 6.012 -2.606 1.00 0.00 C ATOM 773 OG1 THR B 30 -9.626 7.195 -2.130 1.00 0.00 O ATOM 774 CG2 THR B 30 -11.761 6.240 -2.720 1.00 0.00 C ATOM 775 OXT THR B 30 -10.350 3.517 -3.535 1.00 0.00 O ATOM 0 H THR B 30 -8.398 4.919 -0.198 1.00 0.00 H new ATOM 0 HA THR B 30 -10.621 4.971 -0.755 1.00 0.00 H new ATOM 0 HB THR B 30 -9.852 5.758 -3.587 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.798 7.930 -2.754 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.954 7.057 -3.415 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.240 5.332 -3.086 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.166 6.494 -1.740 1.00 0.00 H new TER 783 THR B 30