USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 380 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=-0.00144 (180deg=-0.00144) USER MOD Single : A 5 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 9 SER OG : rot 170:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 58:sc= 0.707 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.56! C(o=-2.6!,f=-6.4!) USER MOD Single : A 18 ASN : amide:sc= -0.374 K(o=-0.37,f=-2.9!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.226 K(o=0.23,f=-2.2!) USER MOD Single : B 1 PHE N :NH3+ -157:sc= 0 (180deg=-0.326) USER MOD Single : B 3 ASN : amide:sc= -0.555 K(o=-0.55,f=-3.6!) USER MOD Single : B 4 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.1!) USER MOD Single : B 5 HIS : no HD1:sc= -9.18! C(o=-9.2!,f=-5.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0205 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.799 USER MOD Single : B 27 THR OG1 : rot -6:sc= 0.773! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.331 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.696 5.497 8.908 1.00 0.00 N ATOM 2 CA GLY A 1 -10.450 5.869 9.710 1.00 0.00 C ATOM 3 C GLY A 1 -9.137 5.981 9.015 1.00 0.00 C ATOM 4 O GLY A 1 -8.196 6.548 9.534 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.520 5.463 9.542 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.858 6.210 8.168 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.560 4.565 8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.646 6.826 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.338 5.129 10.502 1.00 0.00 H new ATOM 10 N ILE A 2 -9.038 5.449 7.828 1.00 0.00 N ATOM 11 CA ILE A 2 -7.751 5.531 7.083 1.00 0.00 C ATOM 12 C ILE A 2 -7.987 6.204 5.728 1.00 0.00 C ATOM 13 O ILE A 2 -9.070 6.671 5.435 1.00 0.00 O ATOM 14 CB ILE A 2 -7.196 4.121 6.865 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.527 3.246 8.078 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.677 4.192 6.692 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.105 1.801 7.800 1.00 0.00 C ATOM 0 H ILE A 2 -9.791 4.962 7.343 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.035 6.117 7.659 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.647 3.690 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.012 3.622 8.962 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.595 3.289 8.289 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.281 3.188 6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.438 4.814 5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.229 4.624 7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.341 1.180 8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.640 1.427 6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.032 1.765 7.610 1.00 0.00 H new ATOM 29 N VAL A 3 -6.978 6.259 4.901 1.00 0.00 N ATOM 30 CA VAL A 3 -7.135 6.902 3.562 1.00 0.00 C ATOM 31 C VAL A 3 -7.736 8.291 3.729 1.00 0.00 C ATOM 32 O VAL A 3 -7.611 8.916 4.761 1.00 0.00 O ATOM 33 CB VAL A 3 -8.054 6.073 2.658 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.327 5.737 1.358 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.437 4.778 3.352 1.00 0.00 C ATOM 0 H VAL A 3 -6.049 5.886 5.094 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.150 6.968 3.101 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.952 6.653 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.982 5.147 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.052 6.659 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.427 5.164 1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.090 4.196 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.537 4.203 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.959 5.004 4.282 1.00 0.00 H new ATOM 45 N GLU A 4 -8.365 8.792 2.700 1.00 0.00 N ATOM 46 CA GLU A 4 -8.947 10.154 2.777 1.00 0.00 C ATOM 47 C GLU A 4 -7.805 11.168 2.712 1.00 0.00 C ATOM 48 O GLU A 4 -8.017 12.363 2.755 1.00 0.00 O ATOM 49 CB GLU A 4 -9.719 10.322 4.085 1.00 0.00 C ATOM 50 CG GLU A 4 -10.680 11.503 3.952 1.00 0.00 C ATOM 51 CD GLU A 4 -12.078 11.078 4.403 1.00 0.00 C ATOM 52 OE1 GLU A 4 -12.174 10.105 5.132 1.00 0.00 O ATOM 53 OE2 GLU A 4 -13.030 11.733 4.010 1.00 0.00 O ATOM 0 H GLU A 4 -8.499 8.312 1.810 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.637 10.312 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.272 9.411 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.028 10.491 4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.330 12.340 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.709 11.847 2.918 1.00 0.00 H new ATOM 60 N GLN A 5 -6.590 10.694 2.601 1.00 0.00 N ATOM 61 CA GLN A 5 -5.429 11.627 2.522 1.00 0.00 C ATOM 62 C GLN A 5 -4.566 11.222 1.323 1.00 0.00 C ATOM 63 O GLN A 5 -5.085 10.892 0.276 1.00 0.00 O ATOM 64 CB GLN A 5 -4.626 11.542 3.821 1.00 0.00 C ATOM 65 CG GLN A 5 -5.415 12.218 4.942 1.00 0.00 C ATOM 66 CD GLN A 5 -5.028 13.695 5.005 1.00 0.00 C ATOM 67 OE1 GLN A 5 -4.164 14.078 5.769 1.00 0.00 O ATOM 68 NE2 GLN A 5 -5.631 14.548 4.223 1.00 0.00 N ATOM 0 H GLN A 5 -6.353 9.703 2.562 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.766 12.655 2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.430 10.500 4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.658 12.027 3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.485 12.117 4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.205 11.733 5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.356 14.227 3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.377 15.535 4.253 1.00 0.00 H new ATOM 77 N SER A 6 -3.265 11.205 1.454 1.00 0.00 N ATOM 78 CA SER A 6 -2.430 10.780 0.316 1.00 0.00 C ATOM 79 C SER A 6 -1.983 9.354 0.610 1.00 0.00 C ATOM 80 O SER A 6 -1.263 8.745 -0.155 1.00 0.00 O ATOM 81 CB SER A 6 -1.216 11.701 0.220 1.00 0.00 C ATOM 82 OG SER A 6 -1.487 12.900 0.936 1.00 0.00 O ATOM 0 H SER A 6 -2.756 11.467 2.298 1.00 0.00 H new ATOM 0 HA SER A 6 -2.975 10.827 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.336 11.208 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.996 11.927 -0.823 1.00 0.00 H new ATOM 0 HG SER A 6 -0.711 13.497 0.881 1.00 0.00 H new ATOM 88 N CYS A 7 -2.393 8.839 1.755 1.00 0.00 N ATOM 89 CA CYS A 7 -2.002 7.469 2.178 1.00 0.00 C ATOM 90 C CYS A 7 -0.654 7.565 2.876 1.00 0.00 C ATOM 91 O CYS A 7 -0.339 6.812 3.776 1.00 0.00 O ATOM 92 CB CYS A 7 -1.886 6.563 0.965 1.00 0.00 C ATOM 93 SG CYS A 7 -2.646 4.975 1.360 1.00 0.00 S ATOM 0 H CYS A 7 -2.993 9.330 2.418 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.753 7.052 2.849 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.380 7.016 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.839 6.425 0.694 1.00 0.00 H new ATOM 98 N THR A 8 0.130 8.509 2.451 1.00 0.00 N ATOM 99 CA THR A 8 1.464 8.734 3.026 1.00 0.00 C ATOM 100 C THR A 8 2.108 7.423 3.445 1.00 0.00 C ATOM 101 O THR A 8 2.880 7.367 4.382 1.00 0.00 O ATOM 102 CB THR A 8 1.364 9.677 4.205 1.00 0.00 C ATOM 103 OG1 THR A 8 0.106 9.523 4.847 1.00 0.00 O ATOM 104 CG2 THR A 8 1.503 11.083 3.655 1.00 0.00 C ATOM 0 H THR A 8 -0.116 9.154 1.700 1.00 0.00 H new ATOM 0 HA THR A 8 2.097 9.186 2.262 1.00 0.00 H new ATOM 0 HB THR A 8 2.140 9.468 4.941 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.051 10.136 5.610 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.437 11.801 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.468 11.186 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.704 11.274 2.938 1.00 0.00 H new ATOM 112 N SER A 9 1.820 6.370 2.742 1.00 0.00 N ATOM 113 CA SER A 9 2.442 5.071 3.082 1.00 0.00 C ATOM 114 C SER A 9 3.739 4.951 2.285 1.00 0.00 C ATOM 115 O SER A 9 4.301 3.884 2.142 1.00 0.00 O ATOM 116 CB SER A 9 1.491 3.935 2.717 1.00 0.00 C ATOM 117 OG SER A 9 1.697 2.848 3.607 1.00 0.00 O ATOM 0 H SER A 9 1.181 6.354 1.947 1.00 0.00 H new ATOM 0 HA SER A 9 2.651 5.012 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.458 4.277 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.664 3.616 1.689 1.00 0.00 H new ATOM 0 HG SER A 9 0.987 2.184 3.483 1.00 0.00 H new ATOM 123 N ILE A 10 4.221 6.055 1.769 1.00 0.00 N ATOM 124 CA ILE A 10 5.487 6.021 0.986 1.00 0.00 C ATOM 125 C ILE A 10 6.646 5.998 1.979 1.00 0.00 C ATOM 126 O ILE A 10 6.451 6.139 3.170 1.00 0.00 O ATOM 127 CB ILE A 10 5.570 7.276 0.103 1.00 0.00 C ATOM 128 CG1 ILE A 10 4.475 7.232 -0.971 1.00 0.00 C ATOM 129 CG2 ILE A 10 6.935 7.357 -0.582 1.00 0.00 C ATOM 130 CD1 ILE A 10 3.094 7.230 -0.312 1.00 0.00 C ATOM 0 H ILE A 10 3.790 6.975 1.858 1.00 0.00 H new ATOM 0 HA ILE A 10 5.526 5.141 0.344 1.00 0.00 H new ATOM 0 HB ILE A 10 5.432 8.152 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.569 8.092 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.594 6.341 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.978 8.251 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.719 7.403 0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.082 6.475 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.323 7.199 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.999 6.356 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.974 8.134 0.285 1.00 0.00 H new ATOM 142 N SER A 11 7.843 5.808 1.515 1.00 0.00 N ATOM 143 CA SER A 11 8.998 5.761 2.455 1.00 0.00 C ATOM 144 C SER A 11 8.708 4.725 3.542 1.00 0.00 C ATOM 145 O SER A 11 9.311 4.728 4.597 1.00 0.00 O ATOM 146 CB SER A 11 9.195 7.134 3.100 1.00 0.00 C ATOM 147 OG SER A 11 10.577 7.468 3.077 1.00 0.00 O ATOM 0 H SER A 11 8.076 5.683 0.530 1.00 0.00 H new ATOM 0 HA SER A 11 9.903 5.489 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.618 7.887 2.564 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.828 7.123 4.126 1.00 0.00 H new ATOM 0 HG SER A 11 10.708 8.348 3.488 1.00 0.00 H new ATOM 153 N SER A 12 7.794 3.830 3.283 1.00 0.00 N ATOM 154 CA SER A 12 7.453 2.789 4.257 1.00 0.00 C ATOM 155 C SER A 12 6.759 1.688 3.479 1.00 0.00 C ATOM 156 O SER A 12 5.672 1.258 3.808 1.00 0.00 O ATOM 157 CB SER A 12 6.518 3.349 5.324 1.00 0.00 C ATOM 158 OG SER A 12 5.203 3.446 4.794 1.00 0.00 O ATOM 0 H SER A 12 7.264 3.787 2.412 1.00 0.00 H new ATOM 0 HA SER A 12 8.343 2.416 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.522 2.703 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.865 4.330 5.649 1.00 0.00 H new ATOM 0 HG SER A 12 4.907 2.563 4.490 1.00 0.00 H new ATOM 164 N LEU A 13 7.382 1.231 2.432 1.00 0.00 N ATOM 165 CA LEU A 13 6.766 0.146 1.641 1.00 0.00 C ATOM 166 C LEU A 13 6.913 -1.107 2.478 1.00 0.00 C ATOM 167 O LEU A 13 6.097 -2.007 2.435 1.00 0.00 O ATOM 168 CB LEU A 13 7.469 0.000 0.287 1.00 0.00 C ATOM 169 CG LEU A 13 6.435 0.015 -0.854 1.00 0.00 C ATOM 170 CD1 LEU A 13 5.353 1.065 -0.593 1.00 0.00 C ATOM 171 CD2 LEU A 13 7.134 0.367 -2.163 1.00 0.00 C ATOM 0 H LEU A 13 8.286 1.562 2.095 1.00 0.00 H new ATOM 0 HA LEU A 13 5.718 0.349 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.183 0.812 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.036 -0.931 0.262 1.00 0.00 H new ATOM 0 HG LEU A 13 5.975 -0.972 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.634 1.058 -1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.841 0.836 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.812 2.051 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.405 0.379 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.595 1.351 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.902 -0.376 -2.377 1.00 0.00 H new ATOM 183 N TYR A 14 7.913 -1.129 3.315 1.00 0.00 N ATOM 184 CA TYR A 14 8.054 -2.273 4.231 1.00 0.00 C ATOM 185 C TYR A 14 6.787 -2.258 5.073 1.00 0.00 C ATOM 186 O TYR A 14 6.377 -3.253 5.633 1.00 0.00 O ATOM 187 CB TYR A 14 9.280 -2.089 5.129 1.00 0.00 C ATOM 188 CG TYR A 14 9.965 -3.418 5.327 1.00 0.00 C ATOM 189 CD1 TYR A 14 10.456 -4.128 4.222 1.00 0.00 C ATOM 190 CD2 TYR A 14 10.113 -3.943 6.618 1.00 0.00 C ATOM 191 CE1 TYR A 14 11.091 -5.363 4.407 1.00 0.00 C ATOM 192 CE2 TYR A 14 10.749 -5.177 6.803 1.00 0.00 C ATOM 193 CZ TYR A 14 11.238 -5.887 5.698 1.00 0.00 C ATOM 194 OH TYR A 14 11.863 -7.104 5.882 1.00 0.00 O ATOM 0 H TYR A 14 8.628 -0.407 3.397 1.00 0.00 H new ATOM 0 HA TYR A 14 8.186 -3.213 3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.970 -1.376 4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.980 -1.676 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.345 -3.722 3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.737 -3.396 7.470 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.467 -5.911 3.555 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.863 -5.582 7.798 1.00 0.00 H new ATOM 0 HH TYR A 14 11.882 -7.321 6.838 1.00 0.00 H new ATOM 204 N GLN A 15 6.143 -1.111 5.138 1.00 0.00 N ATOM 205 CA GLN A 15 4.874 -1.017 5.911 1.00 0.00 C ATOM 206 C GLN A 15 3.763 -1.675 5.083 1.00 0.00 C ATOM 207 O GLN A 15 2.876 -2.320 5.607 1.00 0.00 O ATOM 208 CB GLN A 15 4.537 0.456 6.178 1.00 0.00 C ATOM 209 CG GLN A 15 4.340 0.683 7.679 1.00 0.00 C ATOM 210 CD GLN A 15 3.310 -0.308 8.220 1.00 0.00 C ATOM 211 OE1 GLN A 15 2.529 -0.861 7.472 1.00 0.00 O ATOM 212 NE2 GLN A 15 3.275 -0.554 9.500 1.00 0.00 N ATOM 0 H GLN A 15 6.445 -0.246 4.690 1.00 0.00 H new ATOM 0 HA GLN A 15 4.973 -1.524 6.871 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.339 1.094 5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.632 0.735 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.288 0.559 8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.006 1.705 7.861 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.932 -0.089 10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.591 -1.212 9.874 1.00 0.00 H new ATOM 221 N LEU A 16 3.833 -1.537 3.785 1.00 0.00 N ATOM 222 CA LEU A 16 2.813 -2.175 2.895 1.00 0.00 C ATOM 223 C LEU A 16 2.956 -3.697 2.999 1.00 0.00 C ATOM 224 O LEU A 16 2.126 -4.442 2.518 1.00 0.00 O ATOM 225 CB LEU A 16 3.043 -1.739 1.436 1.00 0.00 C ATOM 226 CG LEU A 16 1.848 -0.913 0.935 1.00 0.00 C ATOM 227 CD1 LEU A 16 2.107 0.554 1.188 1.00 0.00 C ATOM 228 CD2 LEU A 16 1.664 -1.093 -0.570 1.00 0.00 C ATOM 0 H LEU A 16 4.556 -1.007 3.299 1.00 0.00 H new ATOM 0 HA LEU A 16 1.813 -1.868 3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.957 -1.150 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.179 -2.616 0.804 1.00 0.00 H new ATOM 0 HG LEU A 16 0.957 -1.252 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.259 1.140 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.241 0.721 2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.008 0.861 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.813 -0.500 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.564 -0.762 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.483 -2.145 -0.791 1.00 0.00 H new ATOM 240 N GLU A 17 4.002 -4.166 3.632 1.00 0.00 N ATOM 241 CA GLU A 17 4.186 -5.638 3.770 1.00 0.00 C ATOM 242 C GLU A 17 3.114 -6.186 4.712 1.00 0.00 C ATOM 243 O GLU A 17 2.943 -7.382 4.845 1.00 0.00 O ATOM 244 CB GLU A 17 5.577 -5.944 4.339 1.00 0.00 C ATOM 245 CG GLU A 17 6.447 -6.606 3.266 1.00 0.00 C ATOM 246 CD GLU A 17 7.122 -7.851 3.846 1.00 0.00 C ATOM 247 OE1 GLU A 17 7.627 -7.767 4.953 1.00 0.00 O ATOM 248 OE2 GLU A 17 7.124 -8.868 3.171 1.00 0.00 O ATOM 0 H GLU A 17 4.732 -3.594 4.057 1.00 0.00 H new ATOM 0 HA GLU A 17 4.096 -6.109 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.048 -5.024 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.489 -6.601 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.836 -6.879 2.406 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.201 -5.904 2.911 1.00 0.00 H new ATOM 255 N ASN A 18 2.385 -5.319 5.366 1.00 0.00 N ATOM 256 CA ASN A 18 1.320 -5.789 6.296 1.00 0.00 C ATOM 257 C ASN A 18 0.067 -6.125 5.499 1.00 0.00 C ATOM 258 O ASN A 18 -0.820 -6.806 5.972 1.00 0.00 O ATOM 259 CB ASN A 18 1.000 -4.696 7.316 1.00 0.00 C ATOM 260 CG ASN A 18 1.422 -5.166 8.710 1.00 0.00 C ATOM 261 OD1 ASN A 18 2.155 -6.124 8.843 1.00 0.00 O ATOM 262 ND2 ASN A 18 0.987 -4.528 9.762 1.00 0.00 N ATOM 0 H ASN A 18 2.483 -4.306 5.295 1.00 0.00 H new ATOM 0 HA ASN A 18 1.668 -6.677 6.823 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.523 -3.776 7.056 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.066 -4.471 7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.263 -4.835 10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.371 -3.723 9.651 1.00 0.00 H new ATOM 269 N TYR A 19 -0.012 -5.648 4.293 1.00 0.00 N ATOM 270 CA TYR A 19 -1.207 -5.931 3.457 1.00 0.00 C ATOM 271 C TYR A 19 -0.997 -7.220 2.660 1.00 0.00 C ATOM 272 O TYR A 19 -1.849 -7.634 1.906 1.00 0.00 O ATOM 273 CB TYR A 19 -1.410 -4.769 2.485 1.00 0.00 C ATOM 274 CG TYR A 19 -1.358 -3.459 3.244 1.00 0.00 C ATOM 275 CD1 TYR A 19 -1.658 -3.436 4.612 1.00 0.00 C ATOM 276 CD2 TYR A 19 -1.011 -2.268 2.586 1.00 0.00 C ATOM 277 CE1 TYR A 19 -1.612 -2.230 5.325 1.00 0.00 C ATOM 278 CE2 TYR A 19 -0.966 -1.060 3.299 1.00 0.00 C ATOM 279 CZ TYR A 19 -1.268 -1.042 4.669 1.00 0.00 C ATOM 280 OH TYR A 19 -1.223 0.147 5.372 1.00 0.00 O ATOM 0 H TYR A 19 0.702 -5.072 3.848 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.080 -6.048 4.099 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.639 -4.786 1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.369 -4.869 1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.926 -4.351 5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.779 -2.282 1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.842 -2.217 6.380 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.699 -0.144 2.793 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.967 0.875 4.768 1.00 0.00 H new ATOM 290 N CYS A 20 0.143 -7.835 2.791 1.00 0.00 N ATOM 291 CA CYS A 20 0.428 -9.064 2.004 1.00 0.00 C ATOM 292 C CYS A 20 0.366 -10.298 2.903 1.00 0.00 C ATOM 293 O CYS A 20 1.030 -10.379 3.918 1.00 0.00 O ATOM 294 CB CYS A 20 1.829 -8.927 1.395 1.00 0.00 C ATOM 295 SG CYS A 20 2.270 -7.171 1.286 1.00 0.00 S ATOM 0 H CYS A 20 0.894 -7.537 3.413 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.316 -9.182 1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.557 -9.459 2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.853 -9.381 0.405 1.00 0.00 H new ATOM 300 N ASN A 21 -0.430 -11.260 2.529 1.00 0.00 N ATOM 301 CA ASN A 21 -0.551 -12.501 3.346 1.00 0.00 C ATOM 302 C ASN A 21 0.608 -13.444 3.021 1.00 0.00 C ATOM 303 O ASN A 21 0.378 -14.641 2.976 1.00 0.00 O ATOM 304 CB ASN A 21 -1.879 -13.191 3.023 1.00 0.00 C ATOM 305 CG ASN A 21 -2.008 -13.365 1.508 1.00 0.00 C ATOM 306 OD1 ASN A 21 -2.359 -12.437 0.806 1.00 0.00 O ATOM 307 ND2 ASN A 21 -1.740 -14.524 0.971 1.00 0.00 N ATOM 308 OXT ASN A 21 1.708 -12.952 2.822 1.00 0.00 O ATOM 0 H ASN A 21 -1.006 -11.240 1.687 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.520 -12.245 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.926 -14.162 3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.711 -12.599 3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.825 -14.651 -0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.445 -15.303 1.560 1.00 0.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 8.020 4.714 -3.054 1.00 0.00 N ATOM 317 CA PHE B 1 9.274 5.356 -2.569 1.00 0.00 C ATOM 318 C PHE B 1 9.371 6.774 -3.136 1.00 0.00 C ATOM 319 O PHE B 1 9.603 7.724 -2.416 1.00 0.00 O ATOM 320 CB PHE B 1 10.483 4.545 -3.043 1.00 0.00 C ATOM 321 CG PHE B 1 10.512 3.204 -2.345 1.00 0.00 C ATOM 322 CD1 PHE B 1 10.479 3.135 -0.945 1.00 0.00 C ATOM 323 CD2 PHE B 1 10.584 2.026 -3.101 1.00 0.00 C ATOM 324 CE1 PHE B 1 10.516 1.888 -0.303 1.00 0.00 C ATOM 325 CE2 PHE B 1 10.622 0.781 -2.460 1.00 0.00 C ATOM 326 CZ PHE B 1 10.589 0.711 -1.062 1.00 0.00 C ATOM 0 H1 PHE B 1 7.747 3.950 -2.403 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.260 5.423 -3.094 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.176 4.321 -4.004 1.00 0.00 H new ATOM 0 HA PHE B 1 9.262 5.393 -1.480 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.434 4.401 -4.122 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.402 5.092 -2.835 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.425 4.042 -0.361 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.610 2.078 -4.179 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.488 1.835 0.775 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.677 -0.125 -3.045 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.620 -0.249 -0.568 1.00 0.00 H new ATOM 338 N VAL B 2 9.201 6.922 -4.423 1.00 0.00 N ATOM 339 CA VAL B 2 9.292 8.277 -5.038 1.00 0.00 C ATOM 340 C VAL B 2 7.886 8.841 -5.274 1.00 0.00 C ATOM 341 O VAL B 2 7.001 8.155 -5.746 1.00 0.00 O ATOM 342 CB VAL B 2 10.032 8.177 -6.374 1.00 0.00 C ATOM 343 CG1 VAL B 2 9.870 9.487 -7.148 1.00 0.00 C ATOM 344 CG2 VAL B 2 11.518 7.918 -6.113 1.00 0.00 C ATOM 0 H VAL B 2 9.003 6.163 -5.075 1.00 0.00 H new ATOM 0 HA VAL B 2 9.834 8.941 -4.365 1.00 0.00 H new ATOM 0 HB VAL B 2 9.616 7.357 -6.960 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.397 9.415 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.812 9.672 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.285 10.308 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.047 7.846 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.933 8.738 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.633 6.985 -5.562 1.00 0.00 H new ATOM 354 N ASN B 3 7.680 10.090 -4.948 1.00 0.00 N ATOM 355 CA ASN B 3 6.340 10.714 -5.149 1.00 0.00 C ATOM 356 C ASN B 3 5.400 10.271 -4.027 1.00 0.00 C ATOM 357 O ASN B 3 5.481 9.162 -3.538 1.00 0.00 O ATOM 358 CB ASN B 3 5.763 10.281 -6.499 1.00 0.00 C ATOM 359 CG ASN B 3 5.281 11.515 -7.268 1.00 0.00 C ATOM 360 OD1 ASN B 3 5.580 12.633 -6.899 1.00 0.00 O ATOM 361 ND2 ASN B 3 4.535 11.357 -8.329 1.00 0.00 N ATOM 0 H ASN B 3 8.387 10.708 -4.549 1.00 0.00 H new ATOM 0 HA ASN B 3 6.442 11.799 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN B 3 6.520 9.752 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN B 3 4.936 9.588 -6.347 1.00 0.00 H new ATOM 0 HD21 ASN B 3 4.205 12.172 -8.846 1.00 0.00 H new ATOM 0 HD22 ASN B 3 4.283 10.419 -8.640 1.00 0.00 H new ATOM 368 N GLN B 4 4.509 11.132 -3.615 1.00 0.00 N ATOM 369 CA GLN B 4 3.561 10.767 -2.525 1.00 0.00 C ATOM 370 C GLN B 4 2.130 10.766 -3.077 1.00 0.00 C ATOM 371 O GLN B 4 1.919 10.853 -4.271 1.00 0.00 O ATOM 372 CB GLN B 4 3.686 11.779 -1.388 1.00 0.00 C ATOM 373 CG GLN B 4 3.539 11.063 -0.044 1.00 0.00 C ATOM 374 CD GLN B 4 4.076 11.963 1.068 1.00 0.00 C ATOM 375 OE1 GLN B 4 3.321 12.650 1.727 1.00 0.00 O ATOM 376 NE2 GLN B 4 5.359 11.989 1.305 1.00 0.00 N ATOM 0 H GLN B 4 4.397 12.075 -3.988 1.00 0.00 H new ATOM 0 HA GLN B 4 3.797 9.773 -2.145 1.00 0.00 H new ATOM 0 HB2 GLN B 4 4.652 12.282 -1.440 1.00 0.00 H new ATOM 0 HB3 GLN B 4 2.920 12.549 -1.487 1.00 0.00 H new ATOM 0 HG2 GLN B 4 2.492 10.823 0.141 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.085 10.120 -0.060 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.992 11.412 0.751 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.729 12.587 2.044 1.00 0.00 H new ATOM 385 N HIS B 5 1.144 10.650 -2.227 1.00 0.00 N ATOM 386 CA HIS B 5 -0.260 10.621 -2.724 1.00 0.00 C ATOM 387 C HIS B 5 -0.409 9.425 -3.662 1.00 0.00 C ATOM 388 O HIS B 5 -0.082 9.497 -4.830 1.00 0.00 O ATOM 389 CB HIS B 5 -0.583 11.916 -3.480 1.00 0.00 C ATOM 390 CG HIS B 5 0.072 13.095 -2.805 1.00 0.00 C ATOM 391 ND1 HIS B 5 0.085 14.340 -3.397 1.00 0.00 N ATOM 392 CD2 HIS B 5 0.720 13.210 -1.605 1.00 0.00 C ATOM 393 CE1 HIS B 5 0.728 15.162 -2.556 1.00 0.00 C ATOM 394 NE2 HIS B 5 1.135 14.516 -1.446 1.00 0.00 N ATOM 0 H HIS B 5 1.250 10.575 -1.215 1.00 0.00 H new ATOM 0 HA HIS B 5 -0.949 10.533 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -0.236 11.840 -4.510 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.662 12.063 -3.517 1.00 0.00 H new ATOM 0 HD2 HIS B 5 0.880 12.409 -0.898 1.00 0.00 H new ATOM 0 HE1 HIS B 5 0.899 16.212 -2.745 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.643 14.910 -0.654 1.00 0.00 H new ATOM 402 N LEU B 6 -0.872 8.315 -3.153 1.00 0.00 N ATOM 403 CA LEU B 6 -1.007 7.106 -4.014 1.00 0.00 C ATOM 404 C LEU B 6 -2.197 6.253 -3.569 1.00 0.00 C ATOM 405 O LEU B 6 -3.093 5.976 -4.351 1.00 0.00 O ATOM 406 CB LEU B 6 0.274 6.275 -3.896 1.00 0.00 C ATOM 407 CG LEU B 6 1.318 6.800 -4.878 1.00 0.00 C ATOM 408 CD1 LEU B 6 2.025 8.011 -4.266 1.00 0.00 C ATOM 409 CD2 LEU B 6 2.340 5.698 -5.164 1.00 0.00 C ATOM 0 H LEU B 6 -1.161 8.194 -2.182 1.00 0.00 H new ATOM 0 HA LEU B 6 -1.170 7.421 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.660 6.326 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.060 5.227 -4.104 1.00 0.00 H new ATOM 0 HG LEU B 6 0.833 7.096 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.771 8.388 -4.965 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.294 8.793 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.514 7.716 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.088 6.068 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.828 5.404 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.833 4.835 -5.596 1.00 0.00 H new ATOM 421 N CYS B 7 -2.169 5.820 -2.335 1.00 0.00 N ATOM 422 CA CYS B 7 -3.252 4.950 -1.761 1.00 0.00 C ATOM 423 C CYS B 7 -3.963 4.145 -2.850 1.00 0.00 C ATOM 424 O CYS B 7 -3.438 3.924 -3.907 1.00 0.00 O ATOM 425 CB CYS B 7 -4.276 5.813 -1.030 1.00 0.00 C ATOM 426 SG CYS B 7 -4.516 5.145 0.631 1.00 0.00 S ATOM 0 H CYS B 7 -1.419 6.038 -1.678 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.783 4.252 -1.067 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.930 6.845 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.220 5.821 -1.574 1.00 0.00 H new ATOM 431 N GLY B 8 -5.160 3.706 -2.580 1.00 0.00 N ATOM 432 CA GLY B 8 -5.935 2.913 -3.583 1.00 0.00 C ATOM 433 C GLY B 8 -5.011 2.145 -4.545 1.00 0.00 C ATOM 434 O GLY B 8 -4.145 1.393 -4.140 1.00 0.00 O ATOM 0 H GLY B 8 -5.643 3.864 -1.696 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.586 2.209 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -6.579 3.581 -4.154 1.00 0.00 H new ATOM 438 N SER B 9 -5.229 2.321 -5.820 1.00 0.00 N ATOM 439 CA SER B 9 -4.437 1.603 -6.858 1.00 0.00 C ATOM 440 C SER B 9 -2.948 1.972 -6.855 1.00 0.00 C ATOM 441 O SER B 9 -2.146 1.240 -7.392 1.00 0.00 O ATOM 442 CB SER B 9 -5.024 1.922 -8.231 1.00 0.00 C ATOM 443 OG SER B 9 -5.272 3.320 -8.320 1.00 0.00 O ATOM 0 H SER B 9 -5.941 2.948 -6.194 1.00 0.00 H new ATOM 0 HA SER B 9 -4.499 0.539 -6.629 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.334 1.612 -9.016 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.949 1.366 -8.382 1.00 0.00 H new ATOM 0 HG SER B 9 -5.647 3.530 -9.200 1.00 0.00 H new ATOM 449 N ASP B 10 -2.541 3.079 -6.298 1.00 0.00 N ATOM 450 CA ASP B 10 -1.078 3.379 -6.349 1.00 0.00 C ATOM 451 C ASP B 10 -0.348 2.624 -5.226 1.00 0.00 C ATOM 452 O ASP B 10 0.771 2.179 -5.397 1.00 0.00 O ATOM 453 CB ASP B 10 -0.838 4.878 -6.222 1.00 0.00 C ATOM 454 CG ASP B 10 -1.397 5.597 -7.450 1.00 0.00 C ATOM 455 OD1 ASP B 10 -2.594 5.828 -7.484 1.00 0.00 O ATOM 456 OD2 ASP B 10 -0.617 5.910 -8.335 1.00 0.00 O ATOM 0 H ASP B 10 -3.129 3.766 -5.827 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.685 3.048 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.316 5.257 -5.318 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.229 5.078 -6.126 1.00 0.00 H new ATOM 461 N LEU B 11 -0.979 2.444 -4.096 1.00 0.00 N ATOM 462 CA LEU B 11 -0.331 1.684 -2.987 1.00 0.00 C ATOM 463 C LEU B 11 -0.458 0.213 -3.327 1.00 0.00 C ATOM 464 O LEU B 11 0.359 -0.603 -2.962 1.00 0.00 O ATOM 465 CB LEU B 11 -1.071 1.942 -1.662 1.00 0.00 C ATOM 466 CG LEU B 11 -0.384 3.031 -0.826 1.00 0.00 C ATOM 467 CD1 LEU B 11 -0.762 2.830 0.643 1.00 0.00 C ATOM 468 CD2 LEU B 11 1.137 2.941 -0.959 1.00 0.00 C ATOM 0 H LEU B 11 -1.916 2.791 -3.893 1.00 0.00 H new ATOM 0 HA LEU B 11 0.709 1.990 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.098 2.239 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.118 1.018 -1.086 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.710 4.008 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.281 3.597 1.251 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.844 2.905 0.754 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.431 1.845 0.973 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.602 3.723 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.476 1.965 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.419 3.071 -2.004 1.00 0.00 H new ATOM 480 N VAL B 12 -1.498 -0.114 -4.031 1.00 0.00 N ATOM 481 CA VAL B 12 -1.746 -1.521 -4.425 1.00 0.00 C ATOM 482 C VAL B 12 -0.748 -1.936 -5.516 1.00 0.00 C ATOM 483 O VAL B 12 -0.103 -2.961 -5.416 1.00 0.00 O ATOM 484 CB VAL B 12 -3.190 -1.619 -4.940 1.00 0.00 C ATOM 485 CG1 VAL B 12 -3.358 -2.867 -5.804 1.00 0.00 C ATOM 486 CG2 VAL B 12 -4.142 -1.705 -3.746 1.00 0.00 C ATOM 0 H VAL B 12 -2.201 0.549 -4.357 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.612 -2.191 -3.576 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.416 -0.737 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.386 -2.925 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.679 -2.815 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.130 -3.753 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.169 -1.775 -4.104 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.903 -2.588 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.033 -0.813 -3.129 1.00 0.00 H new ATOM 496 N GLU B 13 -0.596 -1.147 -6.546 1.00 0.00 N ATOM 497 CA GLU B 13 0.381 -1.508 -7.613 1.00 0.00 C ATOM 498 C GLU B 13 1.760 -1.606 -6.973 1.00 0.00 C ATOM 499 O GLU B 13 2.529 -2.520 -7.230 1.00 0.00 O ATOM 500 CB GLU B 13 0.390 -0.430 -8.698 1.00 0.00 C ATOM 501 CG GLU B 13 1.092 -0.968 -9.948 1.00 0.00 C ATOM 502 CD GLU B 13 0.972 0.050 -11.084 1.00 0.00 C ATOM 503 OE1 GLU B 13 0.567 1.168 -10.810 1.00 0.00 O ATOM 504 OE2 GLU B 13 1.285 -0.306 -12.208 1.00 0.00 O ATOM 0 H GLU B 13 -1.102 -0.274 -6.694 1.00 0.00 H new ATOM 0 HA GLU B 13 0.106 -2.458 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.631 -0.135 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.902 0.461 -8.336 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.142 -1.164 -9.731 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.646 -1.916 -10.248 1.00 0.00 H new ATOM 511 N ALA B 14 2.060 -0.681 -6.112 1.00 0.00 N ATOM 512 CA ALA B 14 3.365 -0.720 -5.411 1.00 0.00 C ATOM 513 C ALA B 14 3.304 -1.865 -4.413 1.00 0.00 C ATOM 514 O ALA B 14 4.310 -2.413 -4.010 1.00 0.00 O ATOM 515 CB ALA B 14 3.608 0.602 -4.676 1.00 0.00 C ATOM 0 H ALA B 14 1.456 0.102 -5.863 1.00 0.00 H new ATOM 0 HA ALA B 14 4.180 -0.865 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.570 0.562 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.613 1.422 -5.394 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.815 0.763 -3.946 1.00 0.00 H new ATOM 521 N LEU B 15 2.114 -2.249 -4.030 1.00 0.00 N ATOM 522 CA LEU B 15 1.985 -3.381 -3.080 1.00 0.00 C ATOM 523 C LEU B 15 2.305 -4.675 -3.842 1.00 0.00 C ATOM 524 O LEU B 15 2.466 -5.738 -3.267 1.00 0.00 O ATOM 525 CB LEU B 15 0.561 -3.469 -2.526 1.00 0.00 C ATOM 526 CG LEU B 15 0.508 -4.434 -1.325 1.00 0.00 C ATOM 527 CD1 LEU B 15 1.622 -4.162 -0.332 1.00 0.00 C ATOM 528 CD2 LEU B 15 -0.773 -4.224 -0.572 1.00 0.00 C ATOM 0 H LEU B 15 1.236 -1.829 -4.334 1.00 0.00 H new ATOM 0 HA LEU B 15 2.670 -3.233 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.222 -2.479 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.119 -3.812 -3.306 1.00 0.00 H new ATOM 0 HG LEU B 15 0.599 -5.443 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU B 15 1.548 -4.864 0.499 1.00 0.00 H new ATOM 0 HD12 LEU B 15 2.587 -4.283 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU B 15 1.533 -3.143 0.045 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.812 -4.906 0.278 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.820 -3.195 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.619 -4.418 -1.232 1.00 0.00 H new ATOM 540 N TYR B 16 2.413 -4.582 -5.140 1.00 0.00 N ATOM 541 CA TYR B 16 2.742 -5.779 -5.954 1.00 0.00 C ATOM 542 C TYR B 16 4.270 -5.899 -6.019 1.00 0.00 C ATOM 543 O TYR B 16 4.829 -6.956 -5.808 1.00 0.00 O ATOM 544 CB TYR B 16 2.133 -5.611 -7.365 1.00 0.00 C ATOM 545 CG TYR B 16 3.129 -5.997 -8.440 1.00 0.00 C ATOM 546 CD1 TYR B 16 3.469 -7.342 -8.629 1.00 0.00 C ATOM 547 CD2 TYR B 16 3.713 -5.006 -9.241 1.00 0.00 C ATOM 548 CE1 TYR B 16 4.393 -7.699 -9.621 1.00 0.00 C ATOM 549 CE2 TYR B 16 4.637 -5.362 -10.233 1.00 0.00 C ATOM 550 CZ TYR B 16 4.977 -6.709 -10.423 1.00 0.00 C ATOM 551 OH TYR B 16 5.888 -7.060 -11.398 1.00 0.00 O ATOM 0 H TYR B 16 2.286 -3.721 -5.671 1.00 0.00 H new ATOM 0 HA TYR B 16 2.329 -6.686 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.239 -6.229 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.821 -4.577 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.019 -8.105 -8.010 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.451 -3.969 -9.094 1.00 0.00 H new ATOM 0 HE1 TYR B 16 4.655 -8.737 -9.767 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.087 -4.599 -10.851 1.00 0.00 H new ATOM 0 HH TYR B 16 6.196 -6.254 -11.864 1.00 0.00 H new ATOM 561 N LEU B 17 4.946 -4.815 -6.303 1.00 0.00 N ATOM 562 CA LEU B 17 6.439 -4.866 -6.375 1.00 0.00 C ATOM 563 C LEU B 17 7.022 -4.844 -4.956 1.00 0.00 C ATOM 564 O LEU B 17 8.221 -4.888 -4.765 1.00 0.00 O ATOM 565 CB LEU B 17 6.957 -3.654 -7.157 1.00 0.00 C ATOM 566 CG LEU B 17 8.211 -4.046 -7.944 1.00 0.00 C ATOM 567 CD1 LEU B 17 8.179 -3.386 -9.325 1.00 0.00 C ATOM 568 CD2 LEU B 17 9.454 -3.573 -7.188 1.00 0.00 C ATOM 0 H LEU B 17 4.532 -3.901 -6.487 1.00 0.00 H new ATOM 0 HA LEU B 17 6.745 -5.782 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.187 -3.292 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.186 -2.838 -6.472 1.00 0.00 H new ATOM 0 HG LEU B 17 8.241 -5.129 -8.059 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.072 -3.666 -9.883 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.293 -3.718 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.148 -2.303 -9.210 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.348 -3.851 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.420 -2.490 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.481 -4.041 -6.204 1.00 0.00 H new ATOM 580 N VAL B 18 6.179 -4.767 -3.961 1.00 0.00 N ATOM 581 CA VAL B 18 6.665 -4.730 -2.551 1.00 0.00 C ATOM 582 C VAL B 18 6.618 -6.134 -1.949 1.00 0.00 C ATOM 583 O VAL B 18 7.497 -6.549 -1.220 1.00 0.00 O ATOM 584 CB VAL B 18 5.707 -3.824 -1.750 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.403 -4.525 -1.589 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.195 -3.533 -0.342 1.00 0.00 C ATOM 0 H VAL B 18 5.165 -4.728 -4.066 1.00 0.00 H new ATOM 0 HA VAL B 18 7.689 -4.357 -2.517 1.00 0.00 H new ATOM 0 HB VAL B 18 5.635 -2.890 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.718 -3.893 -1.024 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.978 -4.733 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.557 -5.462 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.476 -2.891 0.167 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.299 -4.469 0.208 1.00 0.00 H new ATOM 0 HG23 VAL B 18 7.161 -3.030 -0.388 1.00 0.00 H new ATOM 596 N CYS B 19 5.545 -6.827 -2.189 1.00 0.00 N ATOM 597 CA CYS B 19 5.368 -8.168 -1.564 1.00 0.00 C ATOM 598 C CYS B 19 5.441 -9.347 -2.528 1.00 0.00 C ATOM 599 O CYS B 19 6.353 -10.148 -2.472 1.00 0.00 O ATOM 600 CB CYS B 19 4.022 -8.192 -0.871 1.00 0.00 C ATOM 601 SG CYS B 19 4.158 -7.221 0.631 1.00 0.00 S ATOM 0 H CYS B 19 4.780 -6.525 -2.792 1.00 0.00 H new ATOM 0 HA CYS B 19 6.204 -8.296 -0.876 1.00 0.00 H new ATOM 0 HB2 CYS B 19 3.250 -7.781 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.731 -9.216 -0.638 1.00 0.00 H new ATOM 606 N GLY B 20 4.432 -9.534 -3.332 1.00 0.00 N ATOM 607 CA GLY B 20 4.412 -10.745 -4.182 1.00 0.00 C ATOM 608 C GLY B 20 4.130 -11.905 -3.219 1.00 0.00 C ATOM 609 O GLY B 20 4.458 -13.047 -3.473 1.00 0.00 O ATOM 0 H GLY B 20 3.633 -8.908 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.642 -10.675 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY B 20 5.364 -10.882 -4.696 1.00 0.00 H new ATOM 613 N GLU B 21 3.542 -11.580 -2.082 1.00 0.00 N ATOM 614 CA GLU B 21 3.243 -12.601 -1.037 1.00 0.00 C ATOM 615 C GLU B 21 1.890 -13.269 -1.299 1.00 0.00 C ATOM 616 O GLU B 21 1.008 -13.255 -0.464 1.00 0.00 O ATOM 617 CB GLU B 21 3.215 -11.911 0.337 1.00 0.00 C ATOM 618 CG GLU B 21 4.330 -12.490 1.212 1.00 0.00 C ATOM 619 CD GLU B 21 4.535 -11.601 2.439 1.00 0.00 C ATOM 620 OE1 GLU B 21 3.685 -11.627 3.314 1.00 0.00 O ATOM 621 OE2 GLU B 21 5.541 -10.912 2.486 1.00 0.00 O ATOM 0 H GLU B 21 3.256 -10.632 -1.839 1.00 0.00 H new ATOM 0 HA GLU B 21 4.016 -13.369 -1.061 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.349 -10.836 0.220 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.246 -12.062 0.814 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.073 -13.502 1.523 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.256 -12.558 0.641 1.00 0.00 H new ATOM 628 N ARG B 22 1.730 -13.875 -2.442 1.00 0.00 N ATOM 629 CA ARG B 22 0.449 -14.575 -2.755 1.00 0.00 C ATOM 630 C ARG B 22 -0.724 -13.588 -2.832 1.00 0.00 C ATOM 631 O ARG B 22 -1.857 -13.988 -3.013 1.00 0.00 O ATOM 632 CB ARG B 22 0.164 -15.617 -1.669 1.00 0.00 C ATOM 633 CG ARG B 22 0.795 -16.954 -2.067 1.00 0.00 C ATOM 634 CD ARG B 22 1.747 -17.424 -0.964 1.00 0.00 C ATOM 635 NE ARG B 22 2.528 -18.600 -1.447 1.00 0.00 N ATOM 636 CZ ARG B 22 2.367 -19.767 -0.885 1.00 0.00 C ATOM 637 NH1 ARG B 22 1.167 -20.227 -0.669 1.00 0.00 N ATOM 638 NH2 ARG B 22 3.408 -20.476 -0.538 1.00 0.00 N ATOM 0 H ARG B 22 2.435 -13.917 -3.178 1.00 0.00 H new ATOM 0 HA ARG B 22 0.552 -15.058 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.568 -15.282 -0.714 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.911 -15.735 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.017 -17.700 -2.231 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.337 -16.846 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.423 -16.616 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.182 -17.691 -0.071 1.00 0.00 H new ATOM 0 HE ARG B 22 3.188 -18.492 -2.217 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.353 -19.675 -0.939 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.042 -21.139 -0.230 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.348 -20.118 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.281 -21.388 -0.099 1.00 0.00 H new ATOM 652 N GLY B 23 -0.483 -12.310 -2.710 1.00 0.00 N ATOM 653 CA GLY B 23 -1.617 -11.344 -2.799 1.00 0.00 C ATOM 654 C GLY B 23 -1.652 -10.441 -1.563 1.00 0.00 C ATOM 655 O GLY B 23 -0.807 -10.519 -0.692 1.00 0.00 O ATOM 0 H GLY B 23 0.437 -11.897 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.514 -10.736 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.558 -11.887 -2.887 1.00 0.00 H new ATOM 659 N PHE B 24 -2.633 -9.582 -1.490 1.00 0.00 N ATOM 660 CA PHE B 24 -2.746 -8.660 -0.326 1.00 0.00 C ATOM 661 C PHE B 24 -4.222 -8.306 -0.118 1.00 0.00 C ATOM 662 O PHE B 24 -5.078 -8.752 -0.855 1.00 0.00 O ATOM 663 CB PHE B 24 -1.941 -7.386 -0.612 1.00 0.00 C ATOM 664 CG PHE B 24 -1.971 -7.083 -2.092 1.00 0.00 C ATOM 665 CD1 PHE B 24 -3.168 -6.685 -2.698 1.00 0.00 C ATOM 666 CD2 PHE B 24 -0.801 -7.198 -2.858 1.00 0.00 C ATOM 667 CE1 PHE B 24 -3.201 -6.401 -4.070 1.00 0.00 C ATOM 668 CE2 PHE B 24 -0.833 -6.913 -4.231 1.00 0.00 C ATOM 669 CZ PHE B 24 -2.034 -6.515 -4.837 1.00 0.00 C ATOM 0 H PHE B 24 -3.365 -9.480 -2.192 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.355 -9.138 0.572 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.357 -6.549 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.911 -7.513 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.068 -6.597 -2.107 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.123 -7.506 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.126 -6.094 -4.536 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.067 -7.000 -4.822 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.059 -6.297 -5.894 1.00 0.00 H new ATOM 679 N PHE B 25 -4.540 -7.513 0.874 1.00 0.00 N ATOM 680 CA PHE B 25 -5.973 -7.161 1.087 1.00 0.00 C ATOM 681 C PHE B 25 -6.117 -5.784 1.743 1.00 0.00 C ATOM 682 O PHE B 25 -6.954 -5.582 2.600 1.00 0.00 O ATOM 683 CB PHE B 25 -6.647 -8.222 1.964 1.00 0.00 C ATOM 684 CG PHE B 25 -7.349 -9.231 1.083 1.00 0.00 C ATOM 685 CD1 PHE B 25 -6.626 -10.287 0.513 1.00 0.00 C ATOM 686 CD2 PHE B 25 -8.724 -9.110 0.836 1.00 0.00 C ATOM 687 CE1 PHE B 25 -7.278 -11.223 -0.303 1.00 0.00 C ATOM 688 CE2 PHE B 25 -9.375 -10.046 0.020 1.00 0.00 C ATOM 689 CZ PHE B 25 -8.652 -11.102 -0.549 1.00 0.00 C ATOM 0 H PHE B 25 -3.881 -7.101 1.534 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.459 -7.127 0.112 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.904 -8.721 2.586 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.363 -7.751 2.638 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.567 -10.380 0.702 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.282 -8.296 1.274 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.721 -12.037 -0.742 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.434 -9.953 -0.170 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.154 -11.823 -1.177 1.00 0.00 H new ATOM 699 N TYR B 26 -5.350 -4.820 1.314 1.00 0.00 N ATOM 700 CA TYR B 26 -5.501 -3.445 1.886 1.00 0.00 C ATOM 701 C TYR B 26 -6.300 -2.611 0.889 1.00 0.00 C ATOM 702 O TYR B 26 -6.452 -1.411 1.017 1.00 0.00 O ATOM 703 CB TYR B 26 -4.109 -2.798 2.131 1.00 0.00 C ATOM 704 CG TYR B 26 -4.022 -1.452 1.427 1.00 0.00 C ATOM 705 CD1 TYR B 26 -3.702 -1.402 0.062 1.00 0.00 C ATOM 706 CD2 TYR B 26 -4.315 -0.268 2.120 1.00 0.00 C ATOM 707 CE1 TYR B 26 -3.671 -0.173 -0.608 1.00 0.00 C ATOM 708 CE2 TYR B 26 -4.277 0.963 1.448 1.00 0.00 C ATOM 709 CZ TYR B 26 -3.958 1.009 0.085 1.00 0.00 C ATOM 710 OH TYR B 26 -3.928 2.220 -0.576 1.00 0.00 O ATOM 0 H TYR B 26 -4.630 -4.919 0.598 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.017 -3.493 2.845 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.944 -2.668 3.201 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -3.323 -3.459 1.765 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.479 -2.313 -0.473 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.569 -0.304 3.169 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.426 -0.137 -1.659 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.494 1.876 1.982 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.152 2.940 0.050 1.00 0.00 H new ATOM 720 N THR B 27 -6.789 -3.243 -0.110 1.00 0.00 N ATOM 721 CA THR B 27 -7.538 -2.512 -1.150 1.00 0.00 C ATOM 722 C THR B 27 -8.943 -2.204 -0.671 1.00 0.00 C ATOM 723 O THR B 27 -9.749 -3.080 -0.425 1.00 0.00 O ATOM 724 CB THR B 27 -7.568 -3.354 -2.413 1.00 0.00 C ATOM 725 OG1 THR B 27 -8.597 -4.329 -2.312 1.00 0.00 O ATOM 726 CG2 THR B 27 -6.208 -4.042 -2.570 1.00 0.00 C ATOM 0 H THR B 27 -6.705 -4.248 -0.261 1.00 0.00 H new ATOM 0 HA THR B 27 -7.046 -1.563 -1.362 1.00 0.00 H new ATOM 0 HB THR B 27 -7.767 -2.725 -3.281 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.984 -4.304 -1.412 1.00 0.00 H new ATOM 0 HG21 THR B 27 -6.211 -4.652 -3.473 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.425 -3.287 -2.644 1.00 0.00 H new ATOM 0 HG23 THR B 27 -6.019 -4.677 -1.704 1.00 0.00 H new ATOM 734 N LYS B 28 -9.218 -0.941 -0.542 1.00 0.00 N ATOM 735 CA LYS B 28 -10.550 -0.477 -0.075 1.00 0.00 C ATOM 736 C LYS B 28 -11.135 -1.476 0.933 1.00 0.00 C ATOM 737 O LYS B 28 -12.074 -2.183 0.626 1.00 0.00 O ATOM 738 CB LYS B 28 -11.488 -0.352 -1.276 1.00 0.00 C ATOM 739 CG LYS B 28 -12.906 -0.049 -0.792 1.00 0.00 C ATOM 740 CD LYS B 28 -13.546 0.986 -1.718 1.00 0.00 C ATOM 741 CE LYS B 28 -14.635 1.747 -0.961 1.00 0.00 C ATOM 742 NZ LYS B 28 -14.064 3.014 -0.427 1.00 0.00 N ATOM 0 H LYS B 28 -8.558 -0.191 -0.746 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.442 0.492 0.412 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.142 0.441 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.480 -1.276 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.502 -0.962 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.881 0.327 0.231 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.789 1.681 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.973 0.493 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.473 1.962 -1.624 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.023 1.136 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.800 3.536 0.089 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.278 2.796 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.714 3.596 -1.215 1.00 0.00 H new ATOM 756 N PRO B 29 -10.556 -1.506 2.106 1.00 0.00 N ATOM 757 CA PRO B 29 -10.993 -2.412 3.184 1.00 0.00 C ATOM 758 C PRO B 29 -12.272 -1.884 3.846 1.00 0.00 C ATOM 759 O PRO B 29 -12.329 -0.757 4.297 1.00 0.00 O ATOM 760 CB PRO B 29 -9.818 -2.394 4.166 1.00 0.00 C ATOM 761 CG PRO B 29 -9.046 -1.080 3.897 1.00 0.00 C ATOM 762 CD PRO B 29 -9.416 -0.638 2.468 1.00 0.00 C ATOM 0 HA PRO B 29 -11.231 -3.415 2.831 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.172 -2.433 5.196 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -9.174 -3.261 4.017 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.320 -0.314 4.623 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -7.971 -1.236 3.988 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -9.692 0.416 2.436 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.580 -0.770 1.781 1.00 0.00 H new ATOM 770 N THR B 30 -13.298 -2.690 3.905 1.00 0.00 N ATOM 771 CA THR B 30 -14.570 -2.233 4.534 1.00 0.00 C ATOM 772 C THR B 30 -14.949 -0.857 3.981 1.00 0.00 C ATOM 773 O THR B 30 -15.698 -0.813 3.019 1.00 0.00 O ATOM 774 CB THR B 30 -14.386 -2.138 6.049 1.00 0.00 C ATOM 775 OG1 THR B 30 -13.153 -2.745 6.413 1.00 0.00 O ATOM 776 CG2 THR B 30 -15.539 -2.859 6.747 1.00 0.00 C ATOM 777 OXT THR B 30 -14.487 0.129 4.531 1.00 0.00 O ATOM 0 H THR B 30 -13.310 -3.644 3.545 1.00 0.00 H new ATOM 0 HA THR B 30 -15.362 -2.947 4.308 1.00 0.00 H new ATOM 0 HB THR B 30 -14.378 -1.091 6.352 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.032 -2.684 7.384 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.409 -2.792 7.827 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.483 -2.393 6.465 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.548 -3.907 6.447 1.00 0.00 H new TER 785 THR B 30