USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 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 15 GLN : amide:sc= 0.186 K(o=0.38,f=-0.3!) USER MOD Set 1.2: A 19 TYR OH : rot 161:sc= 0.191 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.186 USER MOD Single : A 12 SER OG : rot 42:sc= 0.286 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.0179 X(o=0.018,f=0) USER MOD Single : A 21 ASN : amide:sc= -3! C(o=-3!,f=-3.4!) USER MOD Single : B 1 PHE N :NH3+ 149:sc= 1.37 (180deg=0.388) USER MOD Single : B 3 ASN : amide:sc= -0.212 K(o=-0.21,f=-3.9!) USER MOD Single : B 4 GLN : amide:sc= -2.12! C(o=-2.1!,f=-8.5!) USER MOD Single : B 5 HIS : no HD1:sc= -1.95! C(o=-2!,f=-5.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.081 USER MOD Single : B 16 TYR OH : rot 93:sc= 0.85 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0731 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.013 0.061 11.598 1.00 0.00 N ATOM 2 CA GLY A 1 -3.114 -0.496 10.493 1.00 0.00 C ATOM 3 C GLY A 1 -3.641 -0.603 9.103 1.00 0.00 C ATOM 4 O GLY A 1 -4.807 -0.372 8.852 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.493 0.066 12.499 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.298 1.032 11.357 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.860 -0.536 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.219 0.125 10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.798 -1.493 10.800 1.00 0.00 H new ATOM 10 N ILE A 2 -2.804 -0.956 8.165 1.00 0.00 N ATOM 11 CA ILE A 2 -3.273 -1.084 6.757 1.00 0.00 C ATOM 12 C ILE A 2 -3.486 -2.564 6.430 1.00 0.00 C ATOM 13 O ILE A 2 -4.472 -2.942 5.827 1.00 0.00 O ATOM 14 CB ILE A 2 -2.225 -0.488 5.814 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.844 -0.294 4.425 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.023 -1.429 5.712 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.745 0.037 3.413 1.00 0.00 C ATOM 0 H ILE A 2 -1.816 -1.161 8.314 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.213 -0.547 6.631 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.893 0.474 6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.371 -1.199 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.580 0.509 4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.281 -0.999 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.582 -1.565 6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.348 -2.394 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.188 0.174 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.238 0.954 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.025 -0.781 3.377 1.00 0.00 H new ATOM 29 N THR A 3 -2.572 -3.405 6.828 1.00 0.00 N ATOM 30 CA THR A 3 -2.723 -4.861 6.547 1.00 0.00 C ATOM 31 C THR A 3 -4.151 -5.292 6.880 1.00 0.00 C ATOM 32 O THR A 3 -4.696 -6.197 6.280 1.00 0.00 O ATOM 33 CB THR A 3 -1.733 -5.652 7.407 1.00 0.00 C ATOM 34 OG1 THR A 3 -0.407 -5.277 7.063 1.00 0.00 O ATOM 35 CG2 THR A 3 -1.919 -7.151 7.166 1.00 0.00 C ATOM 0 H THR A 3 -1.726 -3.147 7.336 1.00 0.00 H new ATOM 0 HA THR A 3 -2.520 -5.055 5.494 1.00 0.00 H new ATOM 0 HB THR A 3 -1.914 -5.434 8.459 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.229 -5.781 7.613 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.212 -7.709 7.780 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.936 -7.439 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.741 -7.375 6.114 1.00 0.00 H new ATOM 43 N GLU A 4 -4.759 -4.642 7.830 1.00 0.00 N ATOM 44 CA GLU A 4 -6.156 -4.999 8.209 1.00 0.00 C ATOM 45 C GLU A 4 -7.123 -4.029 7.529 1.00 0.00 C ATOM 46 O GLU A 4 -7.915 -3.368 8.170 1.00 0.00 O ATOM 47 CB GLU A 4 -6.316 -4.907 9.729 1.00 0.00 C ATOM 48 CG GLU A 4 -7.748 -5.280 10.119 1.00 0.00 C ATOM 49 CD GLU A 4 -7.772 -6.703 10.681 1.00 0.00 C ATOM 50 OE1 GLU A 4 -6.822 -7.070 11.351 1.00 0.00 O ATOM 51 OE2 GLU A 4 -8.742 -7.401 10.432 1.00 0.00 O ATOM 0 H GLU A 4 -4.349 -3.876 8.364 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.374 -6.018 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.609 -5.576 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.088 -3.897 10.068 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.128 -4.578 10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.402 -5.210 9.250 1.00 0.00 H new ATOM 58 N GLN A 5 -7.056 -3.943 6.230 1.00 0.00 N ATOM 59 CA GLN A 5 -7.957 -3.020 5.482 1.00 0.00 C ATOM 60 C GLN A 5 -7.718 -3.218 3.985 1.00 0.00 C ATOM 61 O GLN A 5 -8.614 -3.559 3.239 1.00 0.00 O ATOM 62 CB GLN A 5 -7.643 -1.571 5.865 1.00 0.00 C ATOM 63 CG GLN A 5 -8.787 -0.662 5.414 1.00 0.00 C ATOM 64 CD GLN A 5 -8.336 0.798 5.491 1.00 0.00 C ATOM 65 OE1 GLN A 5 -8.235 1.469 4.483 1.00 0.00 O ATOM 66 NE2 GLN A 5 -8.058 1.321 6.654 1.00 0.00 N ATOM 0 H GLN A 5 -6.410 -4.477 5.649 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.998 -3.233 5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.505 -1.491 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.709 -1.255 5.400 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.083 -0.910 4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.661 -0.818 6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.143 0.758 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.756 2.293 6.717 1.00 0.00 H new ATOM 75 N CYS A 6 -6.505 -3.024 3.550 1.00 0.00 N ATOM 76 CA CYS A 6 -6.179 -3.216 2.110 1.00 0.00 C ATOM 77 C CYS A 6 -6.189 -4.699 1.784 1.00 0.00 C ATOM 78 O CYS A 6 -6.381 -5.098 0.653 1.00 0.00 O ATOM 79 CB CYS A 6 -4.788 -2.639 1.829 1.00 0.00 C ATOM 80 SG CYS A 6 -4.885 -1.019 1.004 1.00 0.00 S ATOM 0 H CYS A 6 -5.720 -2.739 4.135 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.919 -2.705 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.240 -2.538 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.226 -3.333 1.204 1.00 0.00 H new ATOM 85 N CYS A 7 -5.987 -5.518 2.765 1.00 0.00 N ATOM 86 CA CYS A 7 -5.980 -6.976 2.518 1.00 0.00 C ATOM 87 C CYS A 7 -7.371 -7.544 2.803 1.00 0.00 C ATOM 88 O CYS A 7 -7.740 -8.592 2.312 1.00 0.00 O ATOM 89 CB CYS A 7 -4.930 -7.600 3.424 1.00 0.00 C ATOM 90 SG CYS A 7 -4.908 -9.396 3.202 1.00 0.00 S ATOM 0 H CYS A 7 -5.825 -5.240 3.733 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.735 -7.199 1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.948 -7.185 3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.145 -7.357 4.465 1.00 0.00 H new ATOM 95 N THR A 8 -8.159 -6.837 3.565 1.00 0.00 N ATOM 96 CA THR A 8 -9.543 -7.307 3.852 1.00 0.00 C ATOM 97 C THR A 8 -10.501 -6.557 2.922 1.00 0.00 C ATOM 98 O THR A 8 -11.633 -6.950 2.721 1.00 0.00 O ATOM 99 CB THR A 8 -9.901 -7.012 5.311 1.00 0.00 C ATOM 100 OG1 THR A 8 -9.206 -7.916 6.158 1.00 0.00 O ATOM 101 CG2 THR A 8 -11.409 -7.176 5.513 1.00 0.00 C ATOM 0 H THR A 8 -7.903 -5.952 4.002 1.00 0.00 H new ATOM 0 HA THR A 8 -9.618 -8.382 3.687 1.00 0.00 H new ATOM 0 HB THR A 8 -9.614 -5.989 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.432 -7.728 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 8 -11.662 -6.966 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.941 -6.482 4.862 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.700 -8.198 5.269 1.00 0.00 H new ATOM 109 N SER A 9 -10.038 -5.477 2.347 1.00 0.00 N ATOM 110 CA SER A 9 -10.887 -4.682 1.417 1.00 0.00 C ATOM 111 C SER A 9 -9.977 -3.982 0.404 1.00 0.00 C ATOM 112 O SER A 9 -8.773 -4.142 0.428 1.00 0.00 O ATOM 113 CB SER A 9 -11.673 -3.634 2.207 1.00 0.00 C ATOM 114 OG SER A 9 -12.492 -2.889 1.314 1.00 0.00 O ATOM 0 H SER A 9 -9.096 -5.110 2.486 1.00 0.00 H new ATOM 0 HA SER A 9 -11.588 -5.338 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.289 -4.119 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.988 -2.968 2.732 1.00 0.00 H new ATOM 0 HG SER A 9 -12.998 -2.218 1.817 1.00 0.00 H new ATOM 120 N ILE A 10 -10.532 -3.207 -0.486 1.00 0.00 N ATOM 121 CA ILE A 10 -9.680 -2.507 -1.489 1.00 0.00 C ATOM 122 C ILE A 10 -9.515 -1.039 -1.087 1.00 0.00 C ATOM 123 O ILE A 10 -10.459 -0.386 -0.690 1.00 0.00 O ATOM 124 CB ILE A 10 -10.342 -2.589 -2.860 1.00 0.00 C ATOM 125 CG1 ILE A 10 -10.348 -4.043 -3.328 1.00 0.00 C ATOM 126 CG2 ILE A 10 -9.560 -1.738 -3.860 1.00 0.00 C ATOM 127 CD1 ILE A 10 -11.308 -4.187 -4.505 1.00 0.00 C ATOM 0 H ILE A 10 -11.533 -3.028 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.700 -2.982 -1.529 1.00 0.00 H new ATOM 0 HB ILE A 10 -11.365 -2.218 -2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.344 -4.347 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -10.653 -4.699 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.035 -1.798 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.549 -0.701 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.537 -2.107 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.316 -5.223 -4.843 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.312 -3.899 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -10.983 -3.542 -5.321 1.00 0.00 H new ATOM 139 N CYS A 11 -8.325 -0.511 -1.191 1.00 0.00 N ATOM 140 CA CYS A 11 -8.114 0.917 -0.817 1.00 0.00 C ATOM 141 C CYS A 11 -7.898 1.744 -2.087 1.00 0.00 C ATOM 142 O CYS A 11 -7.925 1.228 -3.187 1.00 0.00 O ATOM 143 CB CYS A 11 -6.882 1.048 0.086 1.00 0.00 C ATOM 144 SG CYS A 11 -6.786 -0.362 1.217 1.00 0.00 S ATOM 0 H CYS A 11 -7.494 -1.004 -1.517 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.991 1.279 -0.281 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.979 1.098 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.935 1.977 0.654 1.00 0.00 H new ATOM 149 N SER A 12 -7.680 3.023 -1.946 1.00 0.00 N ATOM 150 CA SER A 12 -7.459 3.876 -3.146 1.00 0.00 C ATOM 151 C SER A 12 -5.985 4.273 -3.222 1.00 0.00 C ATOM 152 O SER A 12 -5.430 4.818 -2.288 1.00 0.00 O ATOM 153 CB SER A 12 -8.321 5.135 -3.048 1.00 0.00 C ATOM 154 OG SER A 12 -8.092 5.766 -1.796 1.00 0.00 O ATOM 0 H SER A 12 -7.646 3.513 -1.052 1.00 0.00 H new ATOM 0 HA SER A 12 -7.734 3.319 -4.042 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.080 5.819 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.375 4.877 -3.150 1.00 0.00 H new ATOM 0 HG SER A 12 -7.134 5.747 -1.590 1.00 0.00 H new ATOM 160 N LEU A 13 -5.349 4.008 -4.330 1.00 0.00 N ATOM 161 CA LEU A 13 -3.913 4.374 -4.473 1.00 0.00 C ATOM 162 C LEU A 13 -3.706 5.775 -3.924 1.00 0.00 C ATOM 163 O LEU A 13 -2.674 6.105 -3.375 1.00 0.00 O ATOM 164 CB LEU A 13 -3.544 4.364 -5.943 1.00 0.00 C ATOM 165 CG LEU A 13 -4.542 5.224 -6.713 1.00 0.00 C ATOM 166 CD1 LEU A 13 -3.867 6.506 -7.194 1.00 0.00 C ATOM 167 CD2 LEU A 13 -5.053 4.439 -7.909 1.00 0.00 C ATOM 0 H LEU A 13 -5.763 3.553 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.292 3.662 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.533 4.747 -6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.552 3.344 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.373 5.487 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.587 7.113 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.499 7.067 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.032 6.254 -7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.767 5.047 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.216 4.178 -8.557 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.543 3.528 -7.564 1.00 0.00 H new ATOM 179 N TYR A 14 -4.700 6.594 -4.078 1.00 0.00 N ATOM 180 CA TYR A 14 -4.622 7.992 -3.581 1.00 0.00 C ATOM 181 C TYR A 14 -3.930 8.002 -2.219 1.00 0.00 C ATOM 182 O TYR A 14 -2.833 8.503 -2.069 1.00 0.00 O ATOM 183 CB TYR A 14 -6.043 8.545 -3.464 1.00 0.00 C ATOM 184 CG TYR A 14 -6.038 10.037 -3.702 1.00 0.00 C ATOM 185 CD1 TYR A 14 -5.844 10.920 -2.631 1.00 0.00 C ATOM 186 CD2 TYR A 14 -6.229 10.538 -4.997 1.00 0.00 C ATOM 187 CE1 TYR A 14 -5.841 12.304 -2.857 1.00 0.00 C ATOM 188 CE2 TYR A 14 -6.226 11.921 -5.221 1.00 0.00 C ATOM 189 CZ TYR A 14 -6.032 12.804 -4.152 1.00 0.00 C ATOM 190 OH TYR A 14 -6.029 14.166 -4.374 1.00 0.00 O ATOM 0 H TYR A 14 -5.579 6.352 -4.535 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.048 8.614 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.694 8.055 -4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.446 8.328 -2.475 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.697 10.535 -1.633 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.379 9.858 -5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.691 12.985 -2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.373 12.306 -6.219 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.174 14.342 -5.327 1.00 0.00 H new ATOM 200 N GLN A 15 -4.552 7.429 -1.234 1.00 0.00 N ATOM 201 CA GLN A 15 -3.926 7.376 0.119 1.00 0.00 C ATOM 202 C GLN A 15 -2.795 6.362 0.086 1.00 0.00 C ATOM 203 O GLN A 15 -1.729 6.568 0.629 1.00 0.00 O ATOM 204 CB GLN A 15 -4.968 6.945 1.141 1.00 0.00 C ATOM 205 CG GLN A 15 -5.271 5.451 0.992 1.00 0.00 C ATOM 206 CD GLN A 15 -6.261 5.020 2.077 1.00 0.00 C ATOM 207 OE1 GLN A 15 -5.871 4.458 3.081 1.00 0.00 O ATOM 208 NE2 GLN A 15 -7.533 5.261 1.918 1.00 0.00 N ATOM 0 H GLN A 15 -5.471 6.992 -1.303 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.540 8.357 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.606 7.151 2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.882 7.524 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.687 5.250 0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.351 4.873 1.074 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.861 5.733 1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.199 4.978 2.636 1.00 0.00 H new ATOM 217 N LEU A 16 -3.030 5.276 -0.581 1.00 0.00 N ATOM 218 CA LEU A 16 -1.992 4.221 -0.713 1.00 0.00 C ATOM 219 C LEU A 16 -0.651 4.888 -0.990 1.00 0.00 C ATOM 220 O LEU A 16 0.400 4.349 -0.709 1.00 0.00 O ATOM 221 CB LEU A 16 -2.345 3.342 -1.912 1.00 0.00 C ATOM 222 CG LEU A 16 -1.784 1.938 -1.728 1.00 0.00 C ATOM 223 CD1 LEU A 16 -0.262 2.005 -1.636 1.00 0.00 C ATOM 224 CD2 LEU A 16 -2.351 1.339 -0.450 1.00 0.00 C ATOM 0 H LEU A 16 -3.912 5.068 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.941 3.626 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.428 3.295 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.944 3.783 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.063 1.315 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.139 1.000 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.139 2.439 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.024 2.624 -0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.954 0.333 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.069 1.961 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.438 1.293 -0.521 1.00 0.00 H new ATOM 236 N GLU A 17 -0.684 6.053 -1.568 1.00 0.00 N ATOM 237 CA GLU A 17 0.584 6.748 -1.901 1.00 0.00 C ATOM 238 C GLU A 17 1.209 7.353 -0.640 1.00 0.00 C ATOM 239 O GLU A 17 2.407 7.540 -0.561 1.00 0.00 O ATOM 240 CB GLU A 17 0.288 7.834 -2.937 1.00 0.00 C ATOM 241 CG GLU A 17 1.436 8.841 -2.977 1.00 0.00 C ATOM 242 CD GLU A 17 0.994 10.152 -2.325 1.00 0.00 C ATOM 243 OE1 GLU A 17 -0.049 10.658 -2.706 1.00 0.00 O ATOM 244 OE2 GLU A 17 1.705 10.629 -1.455 1.00 0.00 O ATOM 0 H GLU A 17 -1.535 6.553 -1.824 1.00 0.00 H new ATOM 0 HA GLU A 17 1.299 6.037 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.153 7.384 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.644 8.342 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.304 8.438 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.739 9.021 -4.008 1.00 0.00 H new ATOM 251 N ASN A 18 0.420 7.649 0.350 1.00 0.00 N ATOM 252 CA ASN A 18 0.993 8.230 1.597 1.00 0.00 C ATOM 253 C ASN A 18 1.623 7.115 2.432 1.00 0.00 C ATOM 254 O ASN A 18 2.287 7.366 3.419 1.00 0.00 O ATOM 255 CB ASN A 18 -0.107 8.920 2.406 1.00 0.00 C ATOM 256 CG ASN A 18 0.366 10.313 2.827 1.00 0.00 C ATOM 257 OD1 ASN A 18 -0.200 11.308 2.420 1.00 0.00 O ATOM 258 ND2 ASN A 18 1.389 10.426 3.630 1.00 0.00 N ATOM 0 H ASN A 18 -0.591 7.516 0.353 1.00 0.00 H new ATOM 0 HA ASN A 18 1.754 8.965 1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.017 8.998 1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.352 8.326 3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.713 11.350 3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.864 9.590 3.972 1.00 0.00 H new ATOM 265 N TYR A 19 1.428 5.885 2.043 1.00 0.00 N ATOM 266 CA TYR A 19 2.026 4.760 2.814 1.00 0.00 C ATOM 267 C TYR A 19 3.371 4.386 2.199 1.00 0.00 C ATOM 268 O TYR A 19 4.010 3.440 2.614 1.00 0.00 O ATOM 269 CB TYR A 19 1.102 3.544 2.759 1.00 0.00 C ATOM 270 CG TYR A 19 -0.190 3.866 3.457 1.00 0.00 C ATOM 271 CD1 TYR A 19 -0.175 4.585 4.656 1.00 0.00 C ATOM 272 CD2 TYR A 19 -1.404 3.446 2.903 1.00 0.00 C ATOM 273 CE1 TYR A 19 -1.376 4.885 5.304 1.00 0.00 C ATOM 274 CE2 TYR A 19 -2.606 3.744 3.549 1.00 0.00 C ATOM 275 CZ TYR A 19 -2.596 4.465 4.752 1.00 0.00 C ATOM 276 OH TYR A 19 -3.783 4.762 5.390 1.00 0.00 O ATOM 0 H TYR A 19 0.882 5.611 1.226 1.00 0.00 H new ATOM 0 HA TYR A 19 2.161 5.069 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.909 3.267 1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.581 2.688 3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.764 4.908 5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.412 2.892 1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.365 5.440 6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.543 3.419 3.122 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.525 4.683 4.754 1.00 0.00 H new ATOM 286 N CYS A 20 3.809 5.112 1.209 1.00 0.00 N ATOM 287 CA CYS A 20 5.112 4.771 0.583 1.00 0.00 C ATOM 288 C CYS A 20 6.218 4.866 1.634 1.00 0.00 C ATOM 289 O CYS A 20 5.977 4.807 2.823 1.00 0.00 O ATOM 290 CB CYS A 20 5.405 5.719 -0.594 1.00 0.00 C ATOM 291 SG CYS A 20 6.167 7.254 -0.005 1.00 0.00 S ATOM 0 H CYS A 20 3.326 5.918 0.811 1.00 0.00 H new ATOM 0 HA CYS A 20 5.071 3.753 0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.068 5.228 -1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.480 5.946 -1.124 1.00 0.00 H new ATOM 296 N ASN A 21 7.428 5.008 1.191 1.00 0.00 N ATOM 297 CA ASN A 21 8.571 5.105 2.136 1.00 0.00 C ATOM 298 C ASN A 21 8.241 6.114 3.245 1.00 0.00 C ATOM 299 O ASN A 21 7.446 7.004 2.993 1.00 0.00 O ATOM 300 CB ASN A 21 9.824 5.537 1.355 1.00 0.00 C ATOM 301 CG ASN A 21 9.990 7.062 1.383 1.00 0.00 C ATOM 302 OD1 ASN A 21 9.045 7.793 1.165 1.00 0.00 O ATOM 303 ND2 ASN A 21 11.163 7.571 1.645 1.00 0.00 N ATOM 304 OXT ASN A 21 8.791 5.977 4.325 1.00 0.00 O ATOM 0 H ASN A 21 7.680 5.062 0.204 1.00 0.00 H new ATOM 0 HA ASN A 21 8.759 4.138 2.603 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.706 5.063 1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.750 5.194 0.323 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.286 8.583 1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.956 6.956 1.828 1.00 0.00 H new TER 311 ASN A 21 ATOM 312 N PHE B 1 -11.469 4.007 -11.552 1.00 0.00 N ATOM 313 CA PHE B 1 -10.722 3.599 -12.779 1.00 0.00 C ATOM 314 C PHE B 1 -10.318 2.129 -12.659 1.00 0.00 C ATOM 315 O PHE B 1 -10.705 1.302 -13.460 1.00 0.00 O ATOM 316 CB PHE B 1 -9.459 4.458 -12.954 1.00 0.00 C ATOM 317 CG PHE B 1 -9.324 5.446 -11.816 1.00 0.00 C ATOM 318 CD1 PHE B 1 -9.967 6.689 -11.889 1.00 0.00 C ATOM 319 CD2 PHE B 1 -8.558 5.117 -10.690 1.00 0.00 C ATOM 320 CE1 PHE B 1 -9.843 7.604 -10.836 1.00 0.00 C ATOM 321 CE2 PHE B 1 -8.434 6.033 -9.637 1.00 0.00 C ATOM 322 CZ PHE B 1 -9.076 7.276 -9.709 1.00 0.00 C ATOM 0 H1 PHE B 1 -11.297 5.014 -11.360 1.00 0.00 H new ATOM 0 H2 PHE B 1 -12.487 3.851 -11.697 1.00 0.00 H new ATOM 0 H3 PHE B 1 -11.144 3.440 -10.743 1.00 0.00 H new ATOM 0 HA PHE B 1 -11.367 3.742 -13.646 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -8.579 3.816 -12.992 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -9.505 4.992 -13.903 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -10.558 6.941 -12.757 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.064 4.158 -10.634 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -10.338 8.562 -10.892 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.843 5.781 -8.769 1.00 0.00 H new ATOM 0 HZ PHE B 1 -8.980 7.981 -8.897 1.00 0.00 H new ATOM 334 N VAL B 2 -9.541 1.796 -11.665 1.00 0.00 N ATOM 335 CA VAL B 2 -9.114 0.378 -11.498 1.00 0.00 C ATOM 336 C VAL B 2 -8.911 0.082 -10.010 1.00 0.00 C ATOM 337 O VAL B 2 -7.903 0.434 -9.430 1.00 0.00 O ATOM 338 CB VAL B 2 -7.801 0.147 -12.251 1.00 0.00 C ATOM 339 CG1 VAL B 2 -7.191 -1.190 -11.824 1.00 0.00 C ATOM 340 CG2 VAL B 2 -8.074 0.121 -13.756 1.00 0.00 C ATOM 0 H VAL B 2 -9.184 2.443 -10.962 1.00 0.00 H new ATOM 0 HA VAL B 2 -9.881 -0.284 -11.900 1.00 0.00 H new ATOM 0 HB VAL B 2 -7.106 0.954 -12.019 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -6.257 -1.352 -12.361 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -6.995 -1.175 -10.752 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -7.886 -1.997 -12.054 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -7.140 -0.043 -14.293 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -8.771 -0.685 -13.986 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -8.506 1.073 -14.064 1.00 0.00 H new ATOM 350 N ASN B 3 -9.860 -0.565 -9.389 1.00 0.00 N ATOM 351 CA ASN B 3 -9.721 -0.886 -7.940 1.00 0.00 C ATOM 352 C ASN B 3 -8.326 -1.456 -7.676 1.00 0.00 C ATOM 353 O ASN B 3 -7.669 -1.947 -8.572 1.00 0.00 O ATOM 354 CB ASN B 3 -10.776 -1.921 -7.547 1.00 0.00 C ATOM 355 CG ASN B 3 -12.165 -1.286 -7.617 1.00 0.00 C ATOM 356 OD1 ASN B 3 -12.382 -0.352 -8.364 1.00 0.00 O ATOM 357 ND2 ASN B 3 -13.122 -1.754 -6.864 1.00 0.00 N ATOM 0 H ASN B 3 -10.726 -0.885 -9.823 1.00 0.00 H new ATOM 0 HA ASN B 3 -9.861 0.020 -7.351 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -10.724 -2.781 -8.215 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -10.583 -2.288 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -14.052 -1.336 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -12.941 -2.538 -6.237 1.00 0.00 H new ATOM 364 N GLN B 4 -7.865 -1.392 -6.456 1.00 0.00 N ATOM 365 CA GLN B 4 -6.512 -1.927 -6.146 1.00 0.00 C ATOM 366 C GLN B 4 -6.557 -2.741 -4.848 1.00 0.00 C ATOM 367 O GLN B 4 -6.907 -2.238 -3.796 1.00 0.00 O ATOM 368 CB GLN B 4 -5.535 -0.757 -5.992 1.00 0.00 C ATOM 369 CG GLN B 4 -4.246 -1.242 -5.326 1.00 0.00 C ATOM 370 CD GLN B 4 -3.503 -2.188 -6.272 1.00 0.00 C ATOM 371 OE1 GLN B 4 -4.116 -2.938 -7.005 1.00 0.00 O ATOM 372 NE2 GLN B 4 -2.198 -2.185 -6.286 1.00 0.00 N ATOM 0 H GLN B 4 -8.367 -0.993 -5.663 1.00 0.00 H new ATOM 0 HA GLN B 4 -6.182 -2.577 -6.957 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -5.311 -0.327 -6.968 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -5.990 0.032 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -3.612 -0.391 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -4.478 -1.754 -4.392 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -1.683 -1.555 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -1.693 -2.812 -6.912 1.00 0.00 H new ATOM 381 N HIS B 5 -6.196 -3.995 -4.917 1.00 0.00 N ATOM 382 CA HIS B 5 -6.205 -4.847 -3.693 1.00 0.00 C ATOM 383 C HIS B 5 -4.786 -4.929 -3.124 1.00 0.00 C ATOM 384 O HIS B 5 -3.850 -5.281 -3.813 1.00 0.00 O ATOM 385 CB HIS B 5 -6.691 -6.257 -4.046 1.00 0.00 C ATOM 386 CG HIS B 5 -7.694 -6.181 -5.176 1.00 0.00 C ATOM 387 ND1 HIS B 5 -7.308 -5.775 -6.437 1.00 0.00 N ATOM 388 CD2 HIS B 5 -9.043 -6.457 -5.236 1.00 0.00 C ATOM 389 CE1 HIS B 5 -8.401 -5.815 -7.211 1.00 0.00 C ATOM 390 NE2 HIS B 5 -9.485 -6.225 -6.522 1.00 0.00 N ATOM 0 H HIS B 5 -5.895 -4.466 -5.770 1.00 0.00 H new ATOM 0 HA HIS B 5 -6.875 -4.409 -2.953 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -5.846 -6.881 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -7.146 -6.725 -3.173 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -9.653 -6.798 -4.413 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -8.412 -5.551 -8.258 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -10.434 -6.340 -6.878 1.00 0.00 H new ATOM 398 N LEU B 6 -4.620 -4.603 -1.873 1.00 0.00 N ATOM 399 CA LEU B 6 -3.262 -4.656 -1.258 1.00 0.00 C ATOM 400 C LEU B 6 -3.250 -5.694 -0.136 1.00 0.00 C ATOM 401 O LEU B 6 -4.185 -5.810 0.627 1.00 0.00 O ATOM 402 CB LEU B 6 -2.913 -3.271 -0.677 1.00 0.00 C ATOM 403 CG LEU B 6 -1.965 -2.459 -1.587 1.00 0.00 C ATOM 404 CD1 LEU B 6 -1.089 -1.565 -0.710 1.00 0.00 C ATOM 405 CD2 LEU B 6 -1.052 -3.385 -2.398 1.00 0.00 C ATOM 0 H LEU B 6 -5.367 -4.301 -1.247 1.00 0.00 H new ATOM 0 HA LEU B 6 -2.529 -4.932 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -3.832 -2.706 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -2.449 -3.399 0.301 1.00 0.00 H new ATOM 0 HG LEU B 6 -2.568 -1.867 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -0.414 -0.986 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -1.721 -0.887 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -0.506 -2.184 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -0.395 -2.787 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.450 -3.989 -1.719 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -1.660 -4.039 -3.023 1.00 0.00 H new ATOM 417 N CYS B 7 -2.193 -6.453 -0.030 1.00 0.00 N ATOM 418 CA CYS B 7 -2.128 -7.482 1.043 1.00 0.00 C ATOM 419 C CYS B 7 -0.787 -8.219 0.972 1.00 0.00 C ATOM 420 O CYS B 7 -0.469 -8.851 -0.015 1.00 0.00 O ATOM 421 CB CYS B 7 -3.260 -8.490 0.839 1.00 0.00 C ATOM 422 SG CYS B 7 -3.216 -9.734 2.154 1.00 0.00 S ATOM 0 H CYS B 7 -1.376 -6.404 -0.638 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.227 -6.998 2.015 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.222 -7.977 0.843 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.160 -8.972 -0.134 1.00 0.00 H new ATOM 427 N GLY B 8 -0.006 -8.155 2.014 1.00 0.00 N ATOM 428 CA GLY B 8 1.306 -8.865 2.011 1.00 0.00 C ATOM 429 C GLY B 8 2.146 -8.430 0.808 1.00 0.00 C ATOM 430 O GLY B 8 2.277 -7.257 0.519 1.00 0.00 O ATOM 0 H GLY B 8 -0.219 -7.641 2.869 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.844 -8.652 2.935 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.143 -9.942 1.979 1.00 0.00 H new ATOM 434 N SER B 9 2.726 -9.376 0.113 1.00 0.00 N ATOM 435 CA SER B 9 3.571 -9.038 -1.069 1.00 0.00 C ATOM 436 C SER B 9 2.915 -7.914 -1.873 1.00 0.00 C ATOM 437 O SER B 9 3.531 -6.909 -2.168 1.00 0.00 O ATOM 438 CB SER B 9 3.724 -10.274 -1.955 1.00 0.00 C ATOM 439 OG SER B 9 3.641 -11.442 -1.149 1.00 0.00 O ATOM 0 H SER B 9 2.649 -10.373 0.316 1.00 0.00 H new ATOM 0 HA SER B 9 4.552 -8.709 -0.726 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.945 -10.288 -2.717 1.00 0.00 H new ATOM 0 HB3 SER B 9 4.680 -10.245 -2.477 1.00 0.00 H new ATOM 0 HG SER B 9 3.737 -12.237 -1.714 1.00 0.00 H new ATOM 445 N ASP B 10 1.670 -8.071 -2.228 1.00 0.00 N ATOM 446 CA ASP B 10 0.983 -7.010 -3.005 1.00 0.00 C ATOM 447 C ASP B 10 1.040 -5.703 -2.217 1.00 0.00 C ATOM 448 O ASP B 10 1.163 -4.630 -2.773 1.00 0.00 O ATOM 449 CB ASP B 10 -0.473 -7.416 -3.221 1.00 0.00 C ATOM 450 CG ASP B 10 -0.529 -8.783 -3.904 1.00 0.00 C ATOM 451 OD1 ASP B 10 0.320 -9.606 -3.606 1.00 0.00 O ATOM 452 OD2 ASP B 10 -1.420 -8.983 -4.713 1.00 0.00 O ATOM 0 H ASP B 10 1.101 -8.890 -2.012 1.00 0.00 H new ATOM 0 HA ASP B 10 1.470 -6.875 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.996 -7.454 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.982 -6.671 -3.833 1.00 0.00 H new ATOM 457 N LEU B 11 0.955 -5.793 -0.921 1.00 0.00 N ATOM 458 CA LEU B 11 1.006 -4.570 -0.075 1.00 0.00 C ATOM 459 C LEU B 11 2.238 -3.745 -0.440 1.00 0.00 C ATOM 460 O LEU B 11 2.141 -2.579 -0.766 1.00 0.00 O ATOM 461 CB LEU B 11 1.084 -4.992 1.400 1.00 0.00 C ATOM 462 CG LEU B 11 0.917 -3.786 2.340 1.00 0.00 C ATOM 463 CD1 LEU B 11 0.150 -2.660 1.653 1.00 0.00 C ATOM 464 CD2 LEU B 11 0.130 -4.227 3.570 1.00 0.00 C ATOM 0 H LEU B 11 0.852 -6.668 -0.407 1.00 0.00 H new ATOM 0 HA LEU B 11 0.113 -3.967 -0.240 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.309 -5.729 1.610 1.00 0.00 H new ATOM 0 HB3 LEU B 11 2.043 -5.474 1.592 1.00 0.00 H new ATOM 0 HG LEU B 11 1.906 -3.422 2.617 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.046 -1.819 2.339 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.694 -2.338 0.765 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.838 -3.017 1.363 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.005 -3.380 4.245 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.849 -4.594 3.263 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.671 -5.022 4.082 1.00 0.00 H new ATOM 476 N VAL B 12 3.397 -4.338 -0.391 1.00 0.00 N ATOM 477 CA VAL B 12 4.627 -3.581 -0.739 1.00 0.00 C ATOM 478 C VAL B 12 4.581 -3.195 -2.219 1.00 0.00 C ATOM 479 O VAL B 12 5.091 -2.168 -2.618 1.00 0.00 O ATOM 480 CB VAL B 12 5.854 -4.448 -0.472 1.00 0.00 C ATOM 481 CG1 VAL B 12 5.984 -4.703 1.031 1.00 0.00 C ATOM 482 CG2 VAL B 12 5.696 -5.780 -1.203 1.00 0.00 C ATOM 0 H VAL B 12 3.544 -5.312 -0.126 1.00 0.00 H new ATOM 0 HA VAL B 12 4.686 -2.679 -0.129 1.00 0.00 H new ATOM 0 HB VAL B 12 6.748 -3.937 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL B 12 6.861 -5.322 1.220 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.092 -3.752 1.553 1.00 0.00 H new ATOM 0 HG13 VAL B 12 5.092 -5.216 1.391 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.570 -6.404 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.803 -6.289 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.602 -5.599 -2.274 1.00 0.00 H new ATOM 492 N GLU B 13 3.967 -4.008 -3.038 1.00 0.00 N ATOM 493 CA GLU B 13 3.887 -3.676 -4.488 1.00 0.00 C ATOM 494 C GLU B 13 3.294 -2.273 -4.644 1.00 0.00 C ATOM 495 O GLU B 13 3.861 -1.416 -5.291 1.00 0.00 O ATOM 496 CB GLU B 13 2.995 -4.696 -5.202 1.00 0.00 C ATOM 497 CG GLU B 13 3.192 -4.574 -6.714 1.00 0.00 C ATOM 498 CD GLU B 13 1.830 -4.544 -7.410 1.00 0.00 C ATOM 499 OE1 GLU B 13 0.850 -4.272 -6.738 1.00 0.00 O ATOM 500 OE2 GLU B 13 1.792 -4.794 -8.603 1.00 0.00 O ATOM 0 H GLU B 13 3.520 -4.883 -2.766 1.00 0.00 H new ATOM 0 HA GLU B 13 4.883 -3.706 -4.929 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.242 -5.705 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.950 -4.524 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.750 -3.667 -6.946 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.781 -5.414 -7.083 1.00 0.00 H new ATOM 507 N ALA B 14 2.159 -2.033 -4.044 1.00 0.00 N ATOM 508 CA ALA B 14 1.530 -0.685 -4.142 1.00 0.00 C ATOM 509 C ALA B 14 2.461 0.352 -3.513 1.00 0.00 C ATOM 510 O ALA B 14 2.767 1.371 -4.100 1.00 0.00 O ATOM 511 CB ALA B 14 0.200 -0.696 -3.393 1.00 0.00 C ATOM 0 H ALA B 14 1.640 -2.714 -3.489 1.00 0.00 H new ATOM 0 HA ALA B 14 1.358 -0.433 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -0.264 0.288 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -0.461 -1.441 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.374 -0.943 -2.346 1.00 0.00 H new ATOM 517 N LEU B 15 2.917 0.088 -2.322 1.00 0.00 N ATOM 518 CA LEU B 15 3.838 1.038 -1.636 1.00 0.00 C ATOM 519 C LEU B 15 5.119 1.189 -2.463 1.00 0.00 C ATOM 520 O LEU B 15 5.783 2.215 -2.440 1.00 0.00 O ATOM 521 CB LEU B 15 4.214 0.477 -0.264 1.00 0.00 C ATOM 522 CG LEU B 15 3.019 0.496 0.700 1.00 0.00 C ATOM 523 CD1 LEU B 15 3.558 0.604 2.118 1.00 0.00 C ATOM 524 CD2 LEU B 15 2.098 1.697 0.437 1.00 0.00 C ATOM 0 H LEU B 15 2.690 -0.752 -1.789 1.00 0.00 H new ATOM 0 HA LEU B 15 3.344 2.003 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU B 15 4.577 -0.545 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU B 15 5.032 1.062 0.157 1.00 0.00 H new ATOM 0 HG LEU B 15 2.440 -0.416 0.555 1.00 0.00 H new ATOM 0 HD11 LEU B 15 2.727 0.619 2.823 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.198 -0.252 2.330 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.136 1.523 2.219 1.00 0.00 H new ATOM 0 HD21 LEU B 15 1.264 1.676 1.138 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.660 2.622 0.568 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.716 1.646 -0.583 1.00 0.00 H new ATOM 536 N TYR B 16 5.476 0.161 -3.184 1.00 0.00 N ATOM 537 CA TYR B 16 6.715 0.209 -4.004 1.00 0.00 C ATOM 538 C TYR B 16 6.563 1.231 -5.130 1.00 0.00 C ATOM 539 O TYR B 16 7.321 2.168 -5.226 1.00 0.00 O ATOM 540 CB TYR B 16 6.984 -1.174 -4.604 1.00 0.00 C ATOM 541 CG TYR B 16 8.181 -1.797 -3.924 1.00 0.00 C ATOM 542 CD1 TYR B 16 9.469 -1.317 -4.197 1.00 0.00 C ATOM 543 CD2 TYR B 16 8.005 -2.856 -3.024 1.00 0.00 C ATOM 544 CE1 TYR B 16 10.580 -1.896 -3.570 1.00 0.00 C ATOM 545 CE2 TYR B 16 9.116 -3.436 -2.397 1.00 0.00 C ATOM 546 CZ TYR B 16 10.404 -2.955 -2.671 1.00 0.00 C ATOM 547 OH TYR B 16 11.499 -3.528 -2.055 1.00 0.00 O ATOM 0 H TYR B 16 4.957 -0.715 -3.239 1.00 0.00 H new ATOM 0 HA TYR B 16 7.550 0.503 -3.368 1.00 0.00 H new ATOM 0 HB2 TYR B 16 6.109 -1.812 -4.479 1.00 0.00 H new ATOM 0 HB3 TYR B 16 7.166 -1.088 -5.675 1.00 0.00 H new ATOM 0 HD1 TYR B 16 9.605 -0.501 -4.891 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.012 -3.226 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR B 16 11.572 -1.525 -3.780 1.00 0.00 H new ATOM 0 HE2 TYR B 16 8.980 -4.253 -1.703 1.00 0.00 H new ATOM 0 HH TYR B 16 11.652 -3.094 -1.190 1.00 0.00 H new ATOM 557 N LEU B 17 5.606 1.054 -5.995 1.00 0.00 N ATOM 558 CA LEU B 17 5.447 2.023 -7.117 1.00 0.00 C ATOM 559 C LEU B 17 5.210 3.441 -6.580 1.00 0.00 C ATOM 560 O LEU B 17 5.752 4.396 -7.100 1.00 0.00 O ATOM 561 CB LEU B 17 4.279 1.610 -8.019 1.00 0.00 C ATOM 562 CG LEU B 17 3.063 1.220 -7.173 1.00 0.00 C ATOM 563 CD1 LEU B 17 2.045 2.362 -7.174 1.00 0.00 C ATOM 564 CD2 LEU B 17 2.417 -0.034 -7.769 1.00 0.00 C ATOM 0 H LEU B 17 4.932 0.289 -5.977 1.00 0.00 H new ATOM 0 HA LEU B 17 6.367 2.018 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.018 2.432 -8.686 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.576 0.771 -8.648 1.00 0.00 H new ATOM 0 HG LEU B 17 3.382 1.022 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.182 2.080 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.503 3.258 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.724 2.562 -8.196 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.551 -0.316 -7.171 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.101 0.171 -8.792 1.00 0.00 H new ATOM 0 HD23 LEU B 17 3.139 -0.850 -7.769 1.00 0.00 H new ATOM 576 N VAL B 18 4.406 3.605 -5.560 1.00 0.00 N ATOM 577 CA VAL B 18 4.168 4.989 -5.048 1.00 0.00 C ATOM 578 C VAL B 18 5.502 5.684 -4.797 1.00 0.00 C ATOM 579 O VAL B 18 5.939 6.479 -5.606 1.00 0.00 O ATOM 580 CB VAL B 18 3.306 4.986 -3.781 1.00 0.00 C ATOM 581 CG1 VAL B 18 1.854 4.765 -4.178 1.00 0.00 C ATOM 582 CG2 VAL B 18 3.720 3.867 -2.842 1.00 0.00 C ATOM 0 H VAL B 18 3.914 2.859 -5.069 1.00 0.00 H new ATOM 0 HA VAL B 18 3.616 5.542 -5.808 1.00 0.00 H new ATOM 0 HB VAL B 18 3.435 5.941 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.229 4.761 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.532 5.567 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.759 3.808 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.092 3.888 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.603 2.907 -3.346 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.763 4.001 -2.554 1.00 0.00 H new ATOM 592 N CYS B 19 6.177 5.412 -3.714 1.00 0.00 N ATOM 593 CA CYS B 19 7.484 6.119 -3.532 1.00 0.00 C ATOM 594 C CYS B 19 8.514 5.535 -4.496 1.00 0.00 C ATOM 595 O CYS B 19 9.440 6.201 -4.915 1.00 0.00 O ATOM 596 CB CYS B 19 8.038 6.011 -2.109 1.00 0.00 C ATOM 597 SG CYS B 19 7.735 7.575 -1.238 1.00 0.00 S ATOM 0 H CYS B 19 5.901 4.763 -2.977 1.00 0.00 H new ATOM 0 HA CYS B 19 7.298 7.174 -3.733 1.00 0.00 H new ATOM 0 HB2 CYS B 19 7.560 5.187 -1.580 1.00 0.00 H new ATOM 0 HB3 CYS B 19 9.106 5.796 -2.136 1.00 0.00 H new ATOM 602 N GLY B 20 8.367 4.287 -4.835 1.00 0.00 N ATOM 603 CA GLY B 20 9.342 3.639 -5.756 1.00 0.00 C ATOM 604 C GLY B 20 10.319 2.810 -4.923 1.00 0.00 C ATOM 605 O GLY B 20 10.116 2.605 -3.743 1.00 0.00 O ATOM 0 H GLY B 20 7.610 3.684 -4.513 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.821 3.004 -6.473 1.00 0.00 H new ATOM 0 HA3 GLY B 20 9.879 4.393 -6.330 1.00 0.00 H new ATOM 609 N GLU B 21 11.380 2.335 -5.512 1.00 0.00 N ATOM 610 CA GLU B 21 12.356 1.530 -4.725 1.00 0.00 C ATOM 611 C GLU B 21 12.897 2.389 -3.575 1.00 0.00 C ATOM 612 O GLU B 21 13.497 1.892 -2.642 1.00 0.00 O ATOM 613 CB GLU B 21 13.502 1.058 -5.643 1.00 0.00 C ATOM 614 CG GLU B 21 14.675 2.050 -5.614 1.00 0.00 C ATOM 615 CD GLU B 21 15.524 1.796 -4.367 1.00 0.00 C ATOM 616 OE1 GLU B 21 15.927 0.661 -4.171 1.00 0.00 O ATOM 617 OE2 GLU B 21 15.756 2.739 -3.630 1.00 0.00 O ATOM 0 H GLU B 21 11.613 2.467 -6.496 1.00 0.00 H new ATOM 0 HA GLU B 21 11.867 0.649 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU B 21 13.846 0.074 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.135 0.953 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.284 1.937 -6.511 1.00 0.00 H new ATOM 0 HG3 GLU B 21 14.300 3.074 -5.610 1.00 0.00 H new ATOM 624 N ARG B 22 12.692 3.676 -3.642 1.00 0.00 N ATOM 625 CA ARG B 22 13.193 4.573 -2.565 1.00 0.00 C ATOM 626 C ARG B 22 12.871 3.975 -1.194 1.00 0.00 C ATOM 627 O ARG B 22 13.551 4.232 -0.221 1.00 0.00 O ATOM 628 CB ARG B 22 12.527 5.944 -2.696 1.00 0.00 C ATOM 629 CG ARG B 22 13.586 6.990 -3.044 1.00 0.00 C ATOM 630 CD ARG B 22 12.903 8.294 -3.459 1.00 0.00 C ATOM 631 NE ARG B 22 13.858 9.427 -3.299 1.00 0.00 N ATOM 632 CZ ARG B 22 13.762 10.223 -2.269 1.00 0.00 C ATOM 633 NH1 ARG B 22 14.247 9.860 -1.112 1.00 0.00 N ATOM 634 NH2 ARG B 22 13.181 11.385 -2.396 1.00 0.00 N ATOM 0 H ARG B 22 12.197 4.146 -4.400 1.00 0.00 H new ATOM 0 HA ARG B 22 14.274 4.680 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG B 22 11.760 5.916 -3.470 1.00 0.00 H new ATOM 0 HB3 ARG B 22 12.030 6.210 -1.763 1.00 0.00 H new ATOM 0 HG2 ARG B 22 14.235 7.165 -2.186 1.00 0.00 H new ATOM 0 HG3 ARG B 22 14.219 6.626 -3.853 1.00 0.00 H new ATOM 0 HD2 ARG B 22 12.569 8.229 -4.495 1.00 0.00 H new ATOM 0 HD3 ARG B 22 12.016 8.463 -2.848 1.00 0.00 H new ATOM 0 HE ARG B 22 14.587 9.581 -3.995 1.00 0.00 H new ATOM 0 HH11 ARG B 22 14.702 8.953 -1.012 1.00 0.00 H new ATOM 0 HH12 ARG B 22 14.171 10.484 -0.309 1.00 0.00 H new ATOM 0 HH21 ARG B 22 12.803 11.670 -3.299 1.00 0.00 H new ATOM 0 HH22 ARG B 22 13.105 12.008 -1.592 1.00 0.00 H new ATOM 648 N GLY B 23 11.845 3.179 -1.109 1.00 0.00 N ATOM 649 CA GLY B 23 11.489 2.565 0.203 1.00 0.00 C ATOM 650 C GLY B 23 9.969 2.565 0.387 1.00 0.00 C ATOM 651 O GLY B 23 9.237 3.133 -0.398 1.00 0.00 O ATOM 0 H GLY B 23 11.237 2.926 -1.888 1.00 0.00 H new ATOM 0 HA2 GLY B 23 11.869 1.545 0.251 1.00 0.00 H new ATOM 0 HA3 GLY B 23 11.962 3.120 1.014 1.00 0.00 H new ATOM 655 N PHE B 24 9.492 1.929 1.424 1.00 0.00 N ATOM 656 CA PHE B 24 8.021 1.885 1.669 1.00 0.00 C ATOM 657 C PHE B 24 7.768 1.610 3.156 1.00 0.00 C ATOM 658 O PHE B 24 8.677 1.300 3.900 1.00 0.00 O ATOM 659 CB PHE B 24 7.395 0.773 0.826 1.00 0.00 C ATOM 660 CG PHE B 24 8.368 -0.374 0.692 1.00 0.00 C ATOM 661 CD1 PHE B 24 9.432 -0.289 -0.216 1.00 0.00 C ATOM 662 CD2 PHE B 24 8.203 -1.524 1.473 1.00 0.00 C ATOM 663 CE1 PHE B 24 10.331 -1.356 -0.343 1.00 0.00 C ATOM 664 CE2 PHE B 24 9.102 -2.591 1.347 1.00 0.00 C ATOM 665 CZ PHE B 24 10.166 -2.507 0.439 1.00 0.00 C ATOM 0 H PHE B 24 10.060 1.437 2.114 1.00 0.00 H new ATOM 0 HA PHE B 24 7.573 2.839 1.392 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.472 0.427 1.291 1.00 0.00 H new ATOM 0 HB3 PHE B 24 7.131 1.156 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE B 24 9.559 0.599 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE B 24 7.383 -1.589 2.173 1.00 0.00 H new ATOM 0 HE1 PHE B 24 11.151 -1.291 -1.043 1.00 0.00 H new ATOM 0 HE2 PHE B 24 8.975 -3.478 1.950 1.00 0.00 H new ATOM 0 HZ PHE B 24 10.859 -3.330 0.342 1.00 0.00 H new ATOM 675 N PHE B 25 6.545 1.730 3.597 1.00 0.00 N ATOM 676 CA PHE B 25 6.243 1.485 5.037 1.00 0.00 C ATOM 677 C PHE B 25 5.693 0.066 5.228 1.00 0.00 C ATOM 678 O PHE B 25 6.367 -0.800 5.749 1.00 0.00 O ATOM 679 CB PHE B 25 5.198 2.502 5.514 1.00 0.00 C ATOM 680 CG PHE B 25 5.862 3.597 6.322 1.00 0.00 C ATOM 681 CD1 PHE B 25 6.592 3.277 7.475 1.00 0.00 C ATOM 682 CD2 PHE B 25 5.742 4.937 5.920 1.00 0.00 C ATOM 683 CE1 PHE B 25 7.203 4.292 8.223 1.00 0.00 C ATOM 684 CE2 PHE B 25 6.354 5.951 6.670 1.00 0.00 C ATOM 685 CZ PHE B 25 7.084 5.628 7.821 1.00 0.00 C ATOM 0 H PHE B 25 5.742 1.987 3.023 1.00 0.00 H new ATOM 0 HA PHE B 25 7.160 1.592 5.617 1.00 0.00 H new ATOM 0 HB2 PHE B 25 4.683 2.935 4.656 1.00 0.00 H new ATOM 0 HB3 PHE B 25 4.443 2.001 6.119 1.00 0.00 H new ATOM 0 HD1 PHE B 25 6.684 2.247 7.787 1.00 0.00 H new ATOM 0 HD2 PHE B 25 5.178 5.186 5.033 1.00 0.00 H new ATOM 0 HE1 PHE B 25 7.766 4.044 9.110 1.00 0.00 H new ATOM 0 HE2 PHE B 25 6.263 6.982 6.360 1.00 0.00 H new ATOM 0 HZ PHE B 25 7.555 6.410 8.399 1.00 0.00 H new ATOM 695 N TYR B 26 4.471 -0.179 4.831 1.00 0.00 N ATOM 696 CA TYR B 26 3.895 -1.543 5.019 1.00 0.00 C ATOM 697 C TYR B 26 4.083 -1.939 6.488 1.00 0.00 C ATOM 698 O TYR B 26 4.571 -3.006 6.803 1.00 0.00 O ATOM 699 CB TYR B 26 4.617 -2.533 4.085 1.00 0.00 C ATOM 700 CG TYR B 26 4.302 -3.970 4.457 1.00 0.00 C ATOM 701 CD1 TYR B 26 3.033 -4.314 4.942 1.00 0.00 C ATOM 702 CD2 TYR B 26 5.287 -4.962 4.315 1.00 0.00 C ATOM 703 CE1 TYR B 26 2.749 -5.644 5.285 1.00 0.00 C ATOM 704 CE2 TYR B 26 5.002 -6.290 4.659 1.00 0.00 C ATOM 705 CZ TYR B 26 3.733 -6.631 5.145 1.00 0.00 C ATOM 706 OH TYR B 26 3.451 -7.939 5.483 1.00 0.00 O ATOM 0 H TYR B 26 3.852 0.500 4.389 1.00 0.00 H new ATOM 0 HA TYR B 26 2.833 -1.557 4.773 1.00 0.00 H new ATOM 0 HB2 TYR B 26 4.317 -2.348 3.053 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.693 -2.368 4.139 1.00 0.00 H new ATOM 0 HD1 TYR B 26 2.273 -3.554 5.052 1.00 0.00 H new ATOM 0 HD2 TYR B 26 6.265 -4.700 3.940 1.00 0.00 H new ATOM 0 HE1 TYR B 26 1.770 -5.908 5.658 1.00 0.00 H new ATOM 0 HE2 TYR B 26 5.761 -7.051 4.550 1.00 0.00 H new ATOM 0 HH TYR B 26 4.242 -8.496 5.325 1.00 0.00 H new ATOM 716 N THR B 27 3.708 -1.066 7.393 1.00 0.00 N ATOM 717 CA THR B 27 3.873 -1.372 8.841 1.00 0.00 C ATOM 718 C THR B 27 2.684 -2.194 9.346 1.00 0.00 C ATOM 719 O THR B 27 1.609 -2.165 8.779 1.00 0.00 O ATOM 720 CB THR B 27 3.951 -0.058 9.622 1.00 0.00 C ATOM 721 OG1 THR B 27 3.762 -0.320 11.005 1.00 0.00 O ATOM 722 CG2 THR B 27 2.862 0.896 9.125 1.00 0.00 C ATOM 0 H THR B 27 3.295 -0.156 7.187 1.00 0.00 H new ATOM 0 HA THR B 27 4.787 -1.948 8.986 1.00 0.00 H new ATOM 0 HB THR B 27 4.928 0.400 9.470 1.00 0.00 H new ATOM 0 HG1 THR B 27 3.813 0.520 11.507 1.00 0.00 H new ATOM 0 HG21 THR B 27 2.917 1.832 9.681 1.00 0.00 H new ATOM 0 HG22 THR B 27 3.009 1.095 8.064 1.00 0.00 H new ATOM 0 HG23 THR B 27 1.883 0.441 9.276 1.00 0.00 H new ATOM 730 N LYS B 28 2.871 -2.925 10.414 1.00 0.00 N ATOM 731 CA LYS B 28 1.757 -3.749 10.967 1.00 0.00 C ATOM 732 C LYS B 28 1.335 -3.185 12.327 1.00 0.00 C ATOM 733 O LYS B 28 2.105 -2.509 12.981 1.00 0.00 O ATOM 734 CB LYS B 28 2.232 -5.193 11.140 1.00 0.00 C ATOM 735 CG LYS B 28 3.032 -5.616 9.907 1.00 0.00 C ATOM 736 CD LYS B 28 4.510 -5.755 10.277 1.00 0.00 C ATOM 737 CE LYS B 28 5.355 -5.748 9.002 1.00 0.00 C ATOM 738 NZ LYS B 28 6.422 -4.714 9.117 1.00 0.00 N ATOM 0 H LYS B 28 3.750 -2.986 10.928 1.00 0.00 H new ATOM 0 HA LYS B 28 0.909 -3.724 10.283 1.00 0.00 H new ATOM 0 HB2 LYS B 28 2.849 -5.280 12.035 1.00 0.00 H new ATOM 0 HB3 LYS B 28 1.377 -5.855 11.277 1.00 0.00 H new ATOM 0 HG2 LYS B 28 2.653 -6.563 9.522 1.00 0.00 H new ATOM 0 HG3 LYS B 28 2.913 -4.878 9.113 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.811 -4.936 10.931 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.673 -6.681 10.829 1.00 0.00 H new ATOM 0 HE2 LYS B 28 5.801 -6.730 8.844 1.00 0.00 H new ATOM 0 HE3 LYS B 28 4.725 -5.541 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 6.996 -4.710 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 5.986 -3.779 9.248 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 7.029 -4.931 9.933 1.00 0.00 H new ATOM 752 N PRO B 29 0.120 -3.481 12.713 1.00 0.00 N ATOM 753 CA PRO B 29 -0.438 -3.017 13.991 1.00 0.00 C ATOM 754 C PRO B 29 0.106 -3.855 15.152 1.00 0.00 C ATOM 755 O PRO B 29 -0.012 -3.487 16.304 1.00 0.00 O ATOM 756 CB PRO B 29 -1.945 -3.224 13.826 1.00 0.00 C ATOM 757 CG PRO B 29 -2.117 -4.294 12.724 1.00 0.00 C ATOM 758 CD PRO B 29 -0.809 -4.298 11.912 1.00 0.00 C ATOM 0 HA PRO B 29 -0.179 -1.983 14.218 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -2.397 -3.553 14.762 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -2.437 -2.293 13.544 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -2.305 -5.275 13.161 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -2.969 -4.060 12.086 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -0.430 -5.311 11.774 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -0.956 -3.874 10.919 1.00 0.00 H new ATOM 766 N THR B 30 0.700 -4.979 14.860 1.00 0.00 N ATOM 767 CA THR B 30 1.248 -5.836 15.949 1.00 0.00 C ATOM 768 C THR B 30 2.202 -5.009 16.814 1.00 0.00 C ATOM 769 O THR B 30 2.801 -4.086 16.285 1.00 0.00 O ATOM 770 CB THR B 30 2.004 -7.019 15.338 1.00 0.00 C ATOM 771 OG1 THR B 30 2.270 -7.982 16.347 1.00 0.00 O ATOM 772 CG2 THR B 30 3.322 -6.531 14.734 1.00 0.00 C ATOM 773 OXT THR B 30 2.318 -5.312 17.990 1.00 0.00 O ATOM 0 H THR B 30 0.830 -5.341 13.915 1.00 0.00 H new ATOM 0 HA THR B 30 0.430 -6.210 16.565 1.00 0.00 H new ATOM 0 HB THR B 30 1.396 -7.472 14.555 1.00 0.00 H new ATOM 0 HG1 THR B 30 2.753 -8.740 15.956 1.00 0.00 H new ATOM 0 HG21 THR B 30 3.858 -7.375 14.300 1.00 0.00 H new ATOM 0 HG22 THR B 30 3.116 -5.794 13.958 1.00 0.00 H new ATOM 0 HG23 THR B 30 3.933 -6.076 15.513 1.00 0.00 H new TER 781 THR B 30