USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 364 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 5 GLN : amide:sc= 0 K(o=-0.013,f=1.2) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.0133 K(o=-0.013,f=-0.97) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.198 USER MOD Single : A 12 SER OG : rot 170:sc= -0.408! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0928 K(o=-0.093,f=-1.6!) USER MOD Single : A 19 TYR OH : rot 154:sc= -0.584 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 132:sc= 0.111 (180deg=-0.182) USER MOD Single : B 3 ASN : amide:sc= -3.22! C(o=-3.2!,f=-11!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -5.49! C(o=-5.5!,f=-5.3!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 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 -14.723 2.229 -2.643 1.00 0.00 N ATOM 2 CA GLY A 1 -13.369 2.861 -2.970 1.00 0.00 C ATOM 3 C GLY A 1 -12.834 3.945 -2.096 1.00 0.00 C ATOM 4 O GLY A 1 -13.203 4.067 -0.945 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.943 1.496 -3.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.686 1.800 -1.697 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.462 2.961 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.630 2.060 -2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.430 3.259 -3.983 1.00 0.00 H new ATOM 10 N GLY A 2 -11.953 4.757 -2.615 1.00 0.00 N ATOM 11 CA GLY A 2 -11.381 5.861 -1.792 1.00 0.00 C ATOM 12 C GLY A 2 -9.857 5.753 -1.778 1.00 0.00 C ATOM 13 O GLY A 2 -9.157 6.727 -1.583 1.00 0.00 O ATOM 0 H GLY A 2 -11.605 4.704 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -11.684 6.826 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.769 5.808 -0.775 1.00 0.00 H new ATOM 17 N GLY A 3 -9.336 4.575 -1.983 1.00 0.00 N ATOM 18 CA GLY A 3 -7.857 4.404 -1.982 1.00 0.00 C ATOM 19 C GLY A 3 -7.497 3.051 -1.369 1.00 0.00 C ATOM 20 O GLY A 3 -7.876 2.011 -1.871 1.00 0.00 O ATOM 0 H GLY A 3 -9.871 3.723 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.473 4.467 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.388 5.208 -1.414 1.00 0.00 H new ATOM 24 N GLU A 4 -6.765 3.054 -0.287 1.00 0.00 N ATOM 25 CA GLU A 4 -6.374 1.780 0.359 1.00 0.00 C ATOM 26 C GLU A 4 -5.219 2.062 1.311 1.00 0.00 C ATOM 27 O GLU A 4 -4.538 3.061 1.197 1.00 0.00 O ATOM 28 CB GLU A 4 -5.922 0.774 -0.701 1.00 0.00 C ATOM 29 CG GLU A 4 -6.847 -0.443 -0.676 1.00 0.00 C ATOM 30 CD GLU A 4 -6.975 -1.017 -2.088 1.00 0.00 C ATOM 31 OE1 GLU A 4 -6.007 -0.940 -2.827 1.00 0.00 O ATOM 32 OE2 GLU A 4 -8.039 -1.522 -2.407 1.00 0.00 O ATOM 0 H GLU A 4 -6.421 3.895 0.176 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.223 1.363 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.939 1.237 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.894 0.467 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.451 -1.200 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.829 -0.159 -0.297 1.00 0.00 H new ATOM 39 N GLN A 5 -4.987 1.195 2.248 1.00 0.00 N ATOM 40 CA GLN A 5 -3.872 1.422 3.197 1.00 0.00 C ATOM 41 C GLN A 5 -2.555 1.043 2.513 1.00 0.00 C ATOM 42 O GLN A 5 -1.938 0.050 2.836 1.00 0.00 O ATOM 43 CB GLN A 5 -4.093 0.560 4.432 1.00 0.00 C ATOM 44 CG GLN A 5 -3.488 1.252 5.656 1.00 0.00 C ATOM 45 CD GLN A 5 -3.439 0.271 6.826 1.00 0.00 C ATOM 46 OE1 GLN A 5 -2.379 -0.179 7.212 1.00 0.00 O ATOM 47 NE2 GLN A 5 -4.550 -0.083 7.412 1.00 0.00 N ATOM 0 H GLN A 5 -5.521 0.339 2.398 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.831 2.469 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.159 0.394 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.635 -0.419 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.484 1.609 5.425 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.083 2.125 5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.440 0.295 7.088 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.528 -0.737 8.194 1.00 0.00 H new ATOM 56 N CYS A 6 -2.137 1.841 1.566 1.00 0.00 N ATOM 57 CA CYS A 6 -0.868 1.570 0.821 1.00 0.00 C ATOM 58 C CYS A 6 -0.898 2.379 -0.481 1.00 0.00 C ATOM 59 O CYS A 6 0.126 2.685 -1.066 1.00 0.00 O ATOM 60 CB CYS A 6 -0.755 0.079 0.472 1.00 0.00 C ATOM 61 SG CYS A 6 0.342 -0.783 1.639 1.00 0.00 S ATOM 0 H CYS A 6 -2.629 2.684 1.271 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.017 1.851 1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.744 -0.379 0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.372 -0.033 -0.542 1.00 0.00 H new ATOM 66 N CYS A 7 -2.075 2.726 -0.937 1.00 0.00 N ATOM 67 CA CYS A 7 -2.200 3.518 -2.192 1.00 0.00 C ATOM 68 C CYS A 7 -1.801 4.965 -1.900 1.00 0.00 C ATOM 69 O CYS A 7 -2.428 5.636 -1.106 1.00 0.00 O ATOM 70 CB CYS A 7 -3.658 3.458 -2.668 1.00 0.00 C ATOM 71 SG CYS A 7 -3.929 4.562 -4.083 1.00 0.00 S ATOM 0 H CYS A 7 -2.960 2.491 -0.488 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.550 3.115 -2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.911 2.435 -2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.322 3.739 -1.851 1.00 0.00 H new ATOM 76 N THR A 8 -0.754 5.440 -2.525 1.00 0.00 N ATOM 77 CA THR A 8 -0.290 6.839 -2.283 1.00 0.00 C ATOM 78 C THR A 8 0.593 6.870 -1.025 1.00 0.00 C ATOM 79 O THR A 8 1.064 7.910 -0.610 1.00 0.00 O ATOM 80 CB THR A 8 -1.505 7.783 -2.130 1.00 0.00 C ATOM 81 OG1 THR A 8 -1.226 9.017 -2.778 1.00 0.00 O ATOM 82 CG2 THR A 8 -1.819 8.055 -0.650 1.00 0.00 C ATOM 0 H THR A 8 -0.196 4.914 -3.198 1.00 0.00 H new ATOM 0 HA THR A 8 0.298 7.184 -3.134 1.00 0.00 H new ATOM 0 HB THR A 8 -2.370 7.300 -2.584 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.995 9.617 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.678 8.722 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.046 7.115 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.956 8.522 -0.175 1.00 0.00 H new ATOM 90 N SER A 9 0.817 5.733 -0.420 1.00 0.00 N ATOM 91 CA SER A 9 1.664 5.688 0.806 1.00 0.00 C ATOM 92 C SER A 9 2.921 4.860 0.520 1.00 0.00 C ATOM 93 O SER A 9 3.486 4.931 -0.554 1.00 0.00 O ATOM 94 CB SER A 9 0.868 5.046 1.945 1.00 0.00 C ATOM 95 OG SER A 9 1.541 5.275 3.176 1.00 0.00 O ATOM 0 H SER A 9 0.448 4.832 -0.724 1.00 0.00 H new ATOM 0 HA SER A 9 1.955 6.698 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.137 5.466 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.760 3.976 1.770 1.00 0.00 H new ATOM 0 HG SER A 9 1.033 4.867 3.908 1.00 0.00 H new ATOM 101 N ILE A 10 3.369 4.076 1.463 1.00 0.00 N ATOM 102 CA ILE A 10 4.588 3.257 1.226 1.00 0.00 C ATOM 103 C ILE A 10 4.460 1.921 1.960 1.00 0.00 C ATOM 104 O ILE A 10 4.791 0.879 1.429 1.00 0.00 O ATOM 105 CB ILE A 10 5.813 4.014 1.743 1.00 0.00 C ATOM 106 CG1 ILE A 10 5.813 5.432 1.165 1.00 0.00 C ATOM 107 CG2 ILE A 10 7.087 3.291 1.306 1.00 0.00 C ATOM 108 CD1 ILE A 10 7.050 6.187 1.656 1.00 0.00 C ATOM 0 H ILE A 10 2.944 3.969 2.384 1.00 0.00 H new ATOM 0 HA ILE A 10 4.700 3.069 0.158 1.00 0.00 H new ATOM 0 HB ILE A 10 5.777 4.059 2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.808 5.391 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.909 5.959 1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.958 3.833 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.089 2.280 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.124 3.245 0.218 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.048 7.196 1.243 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.036 6.240 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.949 5.664 1.330 1.00 0.00 H new ATOM 120 N CYS A 11 3.978 1.945 3.177 1.00 0.00 N ATOM 121 CA CYS A 11 3.824 0.682 3.967 1.00 0.00 C ATOM 122 C CYS A 11 5.030 -0.234 3.733 1.00 0.00 C ATOM 123 O CYS A 11 6.044 0.175 3.202 1.00 0.00 O ATOM 124 CB CYS A 11 2.525 -0.057 3.589 1.00 0.00 C ATOM 125 SG CYS A 11 1.914 0.450 1.957 1.00 0.00 S ATOM 0 H CYS A 11 3.682 2.792 3.662 1.00 0.00 H new ATOM 0 HA CYS A 11 3.770 0.949 5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.704 -1.132 3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.761 0.142 4.341 1.00 0.00 H new ATOM 130 N SER A 12 4.936 -1.470 4.142 1.00 0.00 N ATOM 131 CA SER A 12 6.078 -2.407 3.949 1.00 0.00 C ATOM 132 C SER A 12 5.567 -3.735 3.445 1.00 0.00 C ATOM 133 O SER A 12 4.381 -4.007 3.437 1.00 0.00 O ATOM 134 CB SER A 12 6.778 -2.683 5.272 1.00 0.00 C ATOM 135 OG SER A 12 7.588 -3.845 5.136 1.00 0.00 O ATOM 0 H SER A 12 4.118 -1.871 4.601 1.00 0.00 H new ATOM 0 HA SER A 12 6.766 -1.946 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.391 -1.829 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.043 -2.828 6.064 1.00 0.00 H new ATOM 0 HG SER A 12 8.162 -3.938 5.925 1.00 0.00 H new ATOM 141 N LEU A 13 6.470 -4.593 3.089 1.00 0.00 N ATOM 142 CA LEU A 13 6.065 -5.939 2.640 1.00 0.00 C ATOM 143 C LEU A 13 5.377 -6.623 3.810 1.00 0.00 C ATOM 144 O LEU A 13 4.696 -7.618 3.657 1.00 0.00 O ATOM 145 CB LEU A 13 7.297 -6.738 2.214 1.00 0.00 C ATOM 146 CG LEU A 13 7.294 -6.891 0.696 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.801 -5.599 0.053 1.00 0.00 C ATOM 148 CD2 LEU A 13 8.208 -8.051 0.297 1.00 0.00 C ATOM 0 H LEU A 13 7.475 -4.418 3.090 1.00 0.00 H new ATOM 0 HA LEU A 13 5.391 -5.874 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.205 -6.230 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.292 -7.718 2.691 1.00 0.00 H new ATOM 0 HG LEU A 13 6.279 -7.094 0.354 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.799 -5.707 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.150 -4.772 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.816 -5.396 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.205 -8.160 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.223 -7.849 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.848 -8.972 0.755 1.00 0.00 H new ATOM 160 N TYR A 14 5.540 -6.077 4.984 1.00 0.00 N ATOM 161 CA TYR A 14 4.888 -6.670 6.173 1.00 0.00 C ATOM 162 C TYR A 14 3.409 -6.328 6.145 1.00 0.00 C ATOM 163 O TYR A 14 2.551 -7.188 6.155 1.00 0.00 O ATOM 164 CB TYR A 14 5.507 -6.065 7.417 1.00 0.00 C ATOM 165 CG TYR A 14 6.639 -6.941 7.891 1.00 0.00 C ATOM 166 CD1 TYR A 14 6.365 -8.102 8.623 1.00 0.00 C ATOM 167 CD2 TYR A 14 7.964 -6.592 7.597 1.00 0.00 C ATOM 168 CE1 TYR A 14 7.417 -8.916 9.065 1.00 0.00 C ATOM 169 CE2 TYR A 14 9.017 -7.407 8.039 1.00 0.00 C ATOM 170 CZ TYR A 14 8.743 -8.569 8.773 1.00 0.00 C ATOM 171 OH TYR A 14 9.778 -9.371 9.208 1.00 0.00 O ATOM 0 H TYR A 14 6.099 -5.244 5.166 1.00 0.00 H new ATOM 0 HA TYR A 14 5.020 -7.752 6.174 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.875 -5.062 7.202 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.755 -5.968 8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.343 -8.371 8.847 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.174 -5.697 7.031 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.206 -9.811 9.631 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.039 -7.139 7.814 1.00 0.00 H new ATOM 0 HH TYR A 14 10.632 -8.987 8.920 1.00 0.00 H new ATOM 181 N GLN A 15 3.109 -5.069 6.101 1.00 0.00 N ATOM 182 CA GLN A 15 1.686 -4.651 6.064 1.00 0.00 C ATOM 183 C GLN A 15 1.006 -5.385 4.917 1.00 0.00 C ATOM 184 O GLN A 15 -0.176 -5.663 4.947 1.00 0.00 O ATOM 185 CB GLN A 15 1.595 -3.138 5.847 1.00 0.00 C ATOM 186 CG GLN A 15 1.505 -2.433 7.203 1.00 0.00 C ATOM 187 CD GLN A 15 1.147 -0.960 6.994 1.00 0.00 C ATOM 188 OE1 GLN A 15 0.241 -0.642 6.250 1.00 0.00 O ATOM 189 NE2 GLN A 15 1.826 -0.040 7.626 1.00 0.00 N ATOM 0 H GLN A 15 3.787 -4.307 6.089 1.00 0.00 H new ATOM 0 HA GLN A 15 1.195 -4.894 7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.469 -2.785 5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.721 -2.898 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.752 -2.916 7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.455 -2.515 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.587 -0.307 8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.595 0.945 7.495 1.00 0.00 H new ATOM 198 N LEU A 16 1.761 -5.720 3.912 1.00 0.00 N ATOM 199 CA LEU A 16 1.184 -6.456 2.760 1.00 0.00 C ATOM 200 C LEU A 16 0.993 -7.920 3.156 1.00 0.00 C ATOM 201 O LEU A 16 0.057 -8.569 2.729 1.00 0.00 O ATOM 202 CB LEU A 16 2.134 -6.369 1.565 1.00 0.00 C ATOM 203 CG LEU A 16 2.352 -4.903 1.193 1.00 0.00 C ATOM 204 CD1 LEU A 16 3.630 -4.773 0.363 1.00 0.00 C ATOM 205 CD2 LEU A 16 1.159 -4.402 0.377 1.00 0.00 C ATOM 0 H LEU A 16 2.757 -5.514 3.840 1.00 0.00 H new ATOM 0 HA LEU A 16 0.225 -6.017 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.087 -6.839 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.719 -6.913 0.716 1.00 0.00 H new ATOM 0 HG LEU A 16 2.447 -4.307 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.786 -3.728 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.480 -5.130 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.536 -5.368 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.313 -3.356 0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.064 -4.997 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.248 -4.495 0.969 1.00 0.00 H new ATOM 217 N GLU A 17 1.862 -8.448 3.980 1.00 0.00 N ATOM 218 CA GLU A 17 1.698 -9.871 4.394 1.00 0.00 C ATOM 219 C GLU A 17 0.634 -9.948 5.488 1.00 0.00 C ATOM 220 O GLU A 17 0.229 -11.016 5.900 1.00 0.00 O ATOM 221 CB GLU A 17 3.030 -10.428 4.914 1.00 0.00 C ATOM 222 CG GLU A 17 3.296 -9.919 6.335 1.00 0.00 C ATOM 223 CD GLU A 17 3.280 -11.098 7.311 1.00 0.00 C ATOM 224 OE1 GLU A 17 2.283 -11.800 7.345 1.00 0.00 O ATOM 225 OE2 GLU A 17 4.266 -11.279 8.006 1.00 0.00 O ATOM 0 H GLU A 17 2.666 -7.963 4.378 1.00 0.00 H new ATOM 0 HA GLU A 17 1.387 -10.468 3.537 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.004 -11.518 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.842 -10.125 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.260 -9.412 6.377 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.539 -9.188 6.619 1.00 0.00 H new ATOM 232 N ASN A 18 0.171 -8.820 5.953 1.00 0.00 N ATOM 233 CA ASN A 18 -0.872 -8.830 7.009 1.00 0.00 C ATOM 234 C ASN A 18 -2.251 -8.917 6.352 1.00 0.00 C ATOM 235 O ASN A 18 -3.266 -8.941 7.017 1.00 0.00 O ATOM 236 CB ASN A 18 -0.778 -7.543 7.827 1.00 0.00 C ATOM 237 CG ASN A 18 0.350 -7.672 8.853 1.00 0.00 C ATOM 238 OD1 ASN A 18 1.292 -6.905 8.835 1.00 0.00 O ATOM 239 ND2 ASN A 18 0.294 -8.616 9.751 1.00 0.00 N ATOM 0 H ASN A 18 0.471 -7.895 5.646 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.724 -9.688 7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.590 -6.694 7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.724 -7.351 8.333 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.041 -8.711 10.439 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.497 -9.260 9.766 1.00 0.00 H new ATOM 246 N TYR A 19 -2.294 -8.958 5.047 1.00 0.00 N ATOM 247 CA TYR A 19 -3.606 -9.037 4.348 1.00 0.00 C ATOM 248 C TYR A 19 -3.932 -10.489 4.008 1.00 0.00 C ATOM 249 O TYR A 19 -5.083 -10.866 3.903 1.00 0.00 O ATOM 250 CB TYR A 19 -3.546 -8.219 3.056 1.00 0.00 C ATOM 251 CG TYR A 19 -3.418 -6.744 3.374 1.00 0.00 C ATOM 252 CD1 TYR A 19 -3.355 -6.305 4.705 1.00 0.00 C ATOM 253 CD2 TYR A 19 -3.365 -5.814 2.328 1.00 0.00 C ATOM 254 CE1 TYR A 19 -3.239 -4.937 4.987 1.00 0.00 C ATOM 255 CE2 TYR A 19 -3.248 -4.447 2.610 1.00 0.00 C ATOM 256 CZ TYR A 19 -3.185 -4.008 3.939 1.00 0.00 C ATOM 257 OH TYR A 19 -3.071 -2.661 4.216 1.00 0.00 O ATOM 0 H TYR A 19 -1.477 -8.940 4.437 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.381 -8.638 5.003 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.699 -8.543 2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.445 -8.394 2.465 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.396 -7.021 5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.414 -6.151 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.191 -4.599 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.206 -3.731 1.803 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.637 -2.208 3.463 1.00 0.00 H new ATOM 267 N CYS A 20 -2.938 -11.307 3.826 1.00 0.00 N ATOM 268 CA CYS A 20 -3.216 -12.730 3.484 1.00 0.00 C ATOM 269 C CYS A 20 -3.875 -13.426 4.671 1.00 0.00 C ATOM 270 O CYS A 20 -4.189 -12.815 5.674 1.00 0.00 O ATOM 271 CB CYS A 20 -1.920 -13.464 3.137 1.00 0.00 C ATOM 272 SG CYS A 20 -0.813 -12.366 2.219 1.00 0.00 S ATOM 0 H CYS A 20 -1.952 -11.057 3.898 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.882 -12.751 2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.431 -13.807 4.049 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.142 -14.350 2.542 1.00 0.00 H new ATOM 277 N ASN A 21 -4.080 -14.706 4.563 1.00 0.00 N ATOM 278 CA ASN A 21 -4.713 -15.461 5.682 1.00 0.00 C ATOM 279 C ASN A 21 -4.087 -16.854 5.769 1.00 0.00 C ATOM 280 O ASN A 21 -4.836 -17.817 5.810 1.00 0.00 O ATOM 281 CB ASN A 21 -6.217 -15.590 5.432 1.00 0.00 C ATOM 282 CG ASN A 21 -6.974 -15.336 6.739 1.00 0.00 C ATOM 283 OD1 ASN A 21 -7.584 -14.299 6.908 1.00 0.00 O ATOM 284 ND2 ASN A 21 -6.960 -16.244 7.677 1.00 0.00 N ATOM 285 OXT ASN A 21 -2.870 -16.935 5.793 1.00 0.00 O ATOM 0 H ASN A 21 -3.837 -15.266 3.746 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.550 -14.927 6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.533 -14.876 4.671 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.450 -16.585 5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.461 -16.082 8.551 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.448 -17.115 7.536 1.00 0.00 H new TER 292 ASN A 21 ATOM 293 N PHE B 1 13.388 -2.465 1.566 1.00 0.00 N ATOM 294 CA PHE B 1 12.791 -1.826 0.358 1.00 0.00 C ATOM 295 C PHE B 1 12.994 -0.312 0.436 1.00 0.00 C ATOM 296 O PHE B 1 13.244 0.234 1.492 1.00 0.00 O ATOM 297 CB PHE B 1 11.294 -2.140 0.301 1.00 0.00 C ATOM 298 CG PHE B 1 11.056 -3.288 -0.651 1.00 0.00 C ATOM 299 CD1 PHE B 1 11.697 -4.518 -0.445 1.00 0.00 C ATOM 300 CD2 PHE B 1 10.193 -3.122 -1.742 1.00 0.00 C ATOM 301 CE1 PHE B 1 11.474 -5.580 -1.331 1.00 0.00 C ATOM 302 CE2 PHE B 1 9.971 -4.185 -2.628 1.00 0.00 C ATOM 303 CZ PHE B 1 10.611 -5.414 -2.422 1.00 0.00 C ATOM 0 H1 PHE B 1 12.707 -3.136 1.976 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.256 -2.972 1.298 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.618 -1.733 2.268 1.00 0.00 H new ATOM 0 HA PHE B 1 13.275 -2.214 -0.538 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.927 -2.396 1.295 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.739 -1.261 -0.027 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.362 -4.647 0.396 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.699 -2.175 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.968 -6.527 -1.173 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.306 -4.057 -3.470 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.439 -6.233 -3.104 1.00 0.00 H new ATOM 315 N VAL B 2 12.890 0.372 -0.671 1.00 0.00 N ATOM 316 CA VAL B 2 13.080 1.851 -0.653 1.00 0.00 C ATOM 317 C VAL B 2 11.728 2.539 -0.470 1.00 0.00 C ATOM 318 O VAL B 2 10.769 1.951 -0.011 1.00 0.00 O ATOM 319 CB VAL B 2 13.738 2.302 -1.969 1.00 0.00 C ATOM 320 CG1 VAL B 2 12.674 2.620 -3.027 1.00 0.00 C ATOM 321 CG2 VAL B 2 14.593 3.547 -1.714 1.00 0.00 C ATOM 0 H VAL B 2 12.682 -0.028 -1.586 1.00 0.00 H new ATOM 0 HA VAL B 2 13.730 2.127 0.178 1.00 0.00 H new ATOM 0 HB VAL B 2 14.366 1.491 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.161 2.937 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.075 1.730 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.028 3.420 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.059 3.866 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.962 4.349 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL B 2 15.367 3.313 -0.983 1.00 0.00 H new ATOM 331 N ASN B 3 11.656 3.783 -0.832 1.00 0.00 N ATOM 332 CA ASN B 3 10.377 4.536 -0.689 1.00 0.00 C ATOM 333 C ASN B 3 9.488 4.282 -1.910 1.00 0.00 C ATOM 334 O ASN B 3 9.408 5.093 -2.813 1.00 0.00 O ATOM 335 CB ASN B 3 10.670 6.036 -0.576 1.00 0.00 C ATOM 336 CG ASN B 3 11.804 6.416 -1.531 1.00 0.00 C ATOM 337 OD1 ASN B 3 12.883 5.865 -1.457 1.00 0.00 O ATOM 338 ND2 ASN B 3 11.604 7.340 -2.430 1.00 0.00 N ATOM 0 H ASN B 3 12.431 4.318 -1.224 1.00 0.00 H new ATOM 0 HA ASN B 3 9.863 4.198 0.211 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.774 6.610 -0.814 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.946 6.286 0.448 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.354 7.599 -3.071 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.697 7.803 -2.492 1.00 0.00 H new ATOM 345 N GLN B 4 8.813 3.167 -1.939 1.00 0.00 N ATOM 346 CA GLN B 4 7.921 2.866 -3.094 1.00 0.00 C ATOM 347 C GLN B 4 6.463 2.983 -2.645 1.00 0.00 C ATOM 348 O GLN B 4 6.169 3.010 -1.468 1.00 0.00 O ATOM 349 CB GLN B 4 8.192 1.444 -3.595 1.00 0.00 C ATOM 350 CG GLN B 4 7.322 1.160 -4.821 1.00 0.00 C ATOM 351 CD GLN B 4 7.735 -0.176 -5.442 1.00 0.00 C ATOM 352 OE1 GLN B 4 8.219 -0.217 -6.556 1.00 0.00 O ATOM 353 NE2 GLN B 4 7.562 -1.276 -4.764 1.00 0.00 N ATOM 0 H GLN B 4 8.840 2.451 -1.213 1.00 0.00 H new ATOM 0 HA GLN B 4 8.114 3.573 -3.901 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.246 1.332 -3.850 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.976 0.722 -2.807 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.271 1.131 -4.535 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.431 1.962 -5.551 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.156 -1.240 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.833 -2.172 -5.168 1.00 0.00 H new ATOM 362 N HIS B 5 5.547 3.058 -3.573 1.00 0.00 N ATOM 363 CA HIS B 5 4.108 3.179 -3.191 1.00 0.00 C ATOM 364 C HIS B 5 3.256 2.326 -4.131 1.00 0.00 C ATOM 365 O HIS B 5 3.621 2.084 -5.263 1.00 0.00 O ATOM 366 CB HIS B 5 3.658 4.640 -3.302 1.00 0.00 C ATOM 367 CG HIS B 5 4.831 5.558 -3.086 1.00 0.00 C ATOM 368 ND1 HIS B 5 5.895 5.584 -3.963 1.00 0.00 N ATOM 369 CD2 HIS B 5 5.088 6.474 -2.104 1.00 0.00 C ATOM 370 CE1 HIS B 5 6.755 6.501 -3.498 1.00 0.00 C ATOM 371 NE2 HIS B 5 6.304 7.073 -2.362 1.00 0.00 N ATOM 0 H HIS B 5 5.731 3.041 -4.576 1.00 0.00 H new ATOM 0 HA HIS B 5 3.985 2.837 -2.163 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.220 4.821 -4.284 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.883 4.847 -2.564 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.445 6.693 -1.264 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.692 6.751 -3.973 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.765 7.796 -1.810 1.00 0.00 H new ATOM 379 N LEU B 6 2.110 1.889 -3.679 1.00 0.00 N ATOM 380 CA LEU B 6 1.226 1.072 -4.553 1.00 0.00 C ATOM 381 C LEU B 6 -0.080 1.831 -4.720 1.00 0.00 C ATOM 382 O LEU B 6 -0.150 2.998 -4.412 1.00 0.00 O ATOM 383 CB LEU B 6 0.960 -0.290 -3.900 1.00 0.00 C ATOM 384 CG LEU B 6 2.285 -1.018 -3.670 1.00 0.00 C ATOM 385 CD1 LEU B 6 3.118 -0.986 -4.952 1.00 0.00 C ATOM 386 CD2 LEU B 6 3.057 -0.332 -2.540 1.00 0.00 C ATOM 0 H LEU B 6 1.750 2.064 -2.741 1.00 0.00 H new ATOM 0 HA LEU B 6 1.696 0.900 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.439 -0.154 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.310 -0.889 -4.538 1.00 0.00 H new ATOM 0 HG LEU B 6 2.085 -2.054 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.062 -1.505 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.569 -1.478 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.317 0.049 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.001 -0.852 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.256 0.705 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.465 -0.360 -1.625 1.00 0.00 H new ATOM 398 N CYS B 7 -1.107 1.188 -5.195 1.00 0.00 N ATOM 399 CA CYS B 7 -2.415 1.890 -5.367 1.00 0.00 C ATOM 400 C CYS B 7 -3.402 0.965 -6.085 1.00 0.00 C ATOM 401 O CYS B 7 -4.488 0.708 -5.605 1.00 0.00 O ATOM 402 CB CYS B 7 -2.219 3.169 -6.187 1.00 0.00 C ATOM 403 SG CYS B 7 -2.173 4.608 -5.080 1.00 0.00 S ATOM 0 H CYS B 7 -1.101 0.207 -5.473 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.811 2.153 -4.386 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.292 3.108 -6.758 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.030 3.278 -6.907 1.00 0.00 H new ATOM 408 N GLY B 8 -3.035 0.463 -7.232 1.00 0.00 N ATOM 409 CA GLY B 8 -3.954 -0.446 -7.976 1.00 0.00 C ATOM 410 C GLY B 8 -3.200 -1.714 -8.379 1.00 0.00 C ATOM 411 O GLY B 8 -2.841 -2.525 -7.547 1.00 0.00 O ATOM 0 H GLY B 8 -2.140 0.642 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.812 -0.702 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.342 0.057 -8.862 1.00 0.00 H new ATOM 415 N SER B 9 -2.957 -1.893 -9.648 1.00 0.00 N ATOM 416 CA SER B 9 -2.227 -3.110 -10.099 1.00 0.00 C ATOM 417 C SER B 9 -0.917 -3.234 -9.317 1.00 0.00 C ATOM 418 O SER B 9 -0.345 -4.300 -9.209 1.00 0.00 O ATOM 419 CB SER B 9 -1.922 -3.000 -11.594 1.00 0.00 C ATOM 420 OG SER B 9 -2.921 -3.696 -12.330 1.00 0.00 O ATOM 0 H SER B 9 -3.232 -1.250 -10.391 1.00 0.00 H new ATOM 0 HA SER B 9 -2.843 -3.991 -9.921 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.895 -1.953 -11.895 1.00 0.00 H new ATOM 0 HB3 SER B 9 -0.939 -3.418 -11.808 1.00 0.00 H new ATOM 0 HG SER B 9 -2.729 -3.626 -13.289 1.00 0.00 H new ATOM 426 N ASP B 10 -0.437 -2.150 -8.768 1.00 0.00 N ATOM 427 CA ASP B 10 0.835 -2.207 -7.993 1.00 0.00 C ATOM 428 C ASP B 10 0.551 -2.719 -6.581 1.00 0.00 C ATOM 429 O ASP B 10 1.418 -3.250 -5.917 1.00 0.00 O ATOM 430 CB ASP B 10 1.452 -0.808 -7.915 1.00 0.00 C ATOM 431 CG ASP B 10 2.956 -0.899 -8.181 1.00 0.00 C ATOM 432 OD1 ASP B 10 3.544 -1.903 -7.815 1.00 0.00 O ATOM 433 OD2 ASP B 10 3.497 0.041 -8.743 1.00 0.00 O ATOM 0 H ASP B 10 -0.871 -1.229 -8.823 1.00 0.00 H new ATOM 0 HA ASP B 10 1.531 -2.882 -8.491 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.982 -0.150 -8.646 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.271 -0.373 -6.932 1.00 0.00 H new ATOM 438 N LEU B 11 -0.657 -2.567 -6.117 1.00 0.00 N ATOM 439 CA LEU B 11 -0.990 -3.052 -4.748 1.00 0.00 C ATOM 440 C LEU B 11 -1.109 -4.570 -4.772 1.00 0.00 C ATOM 441 O LEU B 11 -0.595 -5.261 -3.914 1.00 0.00 O ATOM 442 CB LEU B 11 -2.315 -2.441 -4.290 1.00 0.00 C ATOM 443 CG LEU B 11 -2.071 -1.513 -3.099 1.00 0.00 C ATOM 444 CD1 LEU B 11 -3.313 -0.653 -2.861 1.00 0.00 C ATOM 445 CD2 LEU B 11 -1.783 -2.349 -1.849 1.00 0.00 C ATOM 0 H LEU B 11 -1.426 -2.130 -6.624 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.203 -2.755 -4.055 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.772 -1.885 -5.109 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.013 -3.230 -4.011 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.217 -0.869 -3.310 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.140 0.009 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.519 -0.057 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -4.167 -1.297 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.609 -1.687 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.636 -2.993 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.898 -2.963 -2.018 1.00 0.00 H new ATOM 457 N VAL B 12 -1.770 -5.094 -5.759 1.00 0.00 N ATOM 458 CA VAL B 12 -1.909 -6.571 -5.854 1.00 0.00 C ATOM 459 C VAL B 12 -0.571 -7.150 -6.288 1.00 0.00 C ATOM 460 O VAL B 12 -0.226 -8.268 -5.959 1.00 0.00 O ATOM 461 CB VAL B 12 -2.996 -6.928 -6.874 1.00 0.00 C ATOM 462 CG1 VAL B 12 -2.808 -6.088 -8.137 1.00 0.00 C ATOM 463 CG2 VAL B 12 -2.896 -8.412 -7.232 1.00 0.00 C ATOM 0 H VAL B 12 -2.221 -4.565 -6.505 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.197 -6.985 -4.888 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.976 -6.723 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.581 -6.343 -8.862 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.881 -5.030 -7.885 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.827 -6.291 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.670 -8.664 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.915 -8.617 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.032 -9.013 -6.333 1.00 0.00 H new ATOM 473 N GLU B 13 0.200 -6.383 -7.002 1.00 0.00 N ATOM 474 CA GLU B 13 1.532 -6.876 -7.426 1.00 0.00 C ATOM 475 C GLU B 13 2.371 -7.075 -6.168 1.00 0.00 C ATOM 476 O GLU B 13 3.202 -7.958 -6.092 1.00 0.00 O ATOM 477 CB GLU B 13 2.199 -5.843 -8.338 1.00 0.00 C ATOM 478 CG GLU B 13 3.327 -6.512 -9.128 1.00 0.00 C ATOM 479 CD GLU B 13 4.459 -5.508 -9.350 1.00 0.00 C ATOM 480 OE1 GLU B 13 4.218 -4.324 -9.177 1.00 0.00 O ATOM 481 OE2 GLU B 13 5.548 -5.939 -9.690 1.00 0.00 O ATOM 0 H GLU B 13 -0.035 -5.439 -7.309 1.00 0.00 H new ATOM 0 HA GLU B 13 1.439 -7.812 -7.976 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.464 -5.418 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.595 -5.020 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU B 13 3.699 -7.382 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.951 -6.870 -10.086 1.00 0.00 H new ATOM 488 N ALA B 14 2.143 -6.263 -5.167 1.00 0.00 N ATOM 489 CA ALA B 14 2.910 -6.410 -3.904 1.00 0.00 C ATOM 490 C ALA B 14 2.211 -7.436 -3.014 1.00 0.00 C ATOM 491 O ALA B 14 2.795 -7.968 -2.089 1.00 0.00 O ATOM 492 CB ALA B 14 2.970 -5.063 -3.182 1.00 0.00 C ATOM 0 H ALA B 14 1.459 -5.507 -5.174 1.00 0.00 H new ATOM 0 HA ALA B 14 3.924 -6.744 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.533 -5.172 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.461 -4.329 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.958 -4.727 -2.955 1.00 0.00 H new ATOM 498 N LEU B 15 0.967 -7.732 -3.286 1.00 0.00 N ATOM 499 CA LEU B 15 0.248 -8.733 -2.452 1.00 0.00 C ATOM 500 C LEU B 15 0.397 -10.102 -3.100 1.00 0.00 C ATOM 501 O LEU B 15 0.570 -11.108 -2.440 1.00 0.00 O ATOM 502 CB LEU B 15 -1.234 -8.364 -2.368 1.00 0.00 C ATOM 503 CG LEU B 15 -1.459 -7.438 -1.173 1.00 0.00 C ATOM 504 CD1 LEU B 15 -2.706 -6.587 -1.415 1.00 0.00 C ATOM 505 CD2 LEU B 15 -1.652 -8.279 0.090 1.00 0.00 C ATOM 0 H LEU B 15 0.422 -7.325 -4.046 1.00 0.00 H new ATOM 0 HA LEU B 15 0.667 -8.749 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.550 -7.872 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.839 -9.265 -2.263 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.594 -6.786 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.867 -5.927 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.570 -5.990 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.572 -7.237 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.813 -7.621 0.944 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.518 -8.930 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.763 -8.886 0.262 1.00 0.00 H new ATOM 517 N TYR B 16 0.342 -10.133 -4.396 1.00 0.00 N ATOM 518 CA TYR B 16 0.489 -11.418 -5.128 1.00 0.00 C ATOM 519 C TYR B 16 1.949 -11.871 -5.045 1.00 0.00 C ATOM 520 O TYR B 16 2.261 -13.031 -5.225 1.00 0.00 O ATOM 521 CB TYR B 16 0.084 -11.197 -6.590 1.00 0.00 C ATOM 522 CG TYR B 16 0.678 -12.277 -7.463 1.00 0.00 C ATOM 523 CD1 TYR B 16 0.086 -13.546 -7.515 1.00 0.00 C ATOM 524 CD2 TYR B 16 1.827 -12.009 -8.220 1.00 0.00 C ATOM 525 CE1 TYR B 16 0.643 -14.546 -8.324 1.00 0.00 C ATOM 526 CE2 TYR B 16 2.384 -13.008 -9.027 1.00 0.00 C ATOM 527 CZ TYR B 16 1.793 -14.277 -9.080 1.00 0.00 C ATOM 528 OH TYR B 16 2.342 -15.262 -9.875 1.00 0.00 O ATOM 0 H TYR B 16 0.200 -9.315 -4.988 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.148 -12.186 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.002 -11.203 -6.679 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.426 -10.218 -6.926 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.799 -13.753 -6.932 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.283 -11.031 -8.181 1.00 0.00 H new ATOM 0 HE1 TYR B 16 0.186 -15.524 -8.365 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.270 -12.800 -9.609 1.00 0.00 H new ATOM 0 HH TYR B 16 3.134 -14.910 -10.332 1.00 0.00 H new ATOM 538 N LEU B 17 2.841 -10.962 -4.771 1.00 0.00 N ATOM 539 CA LEU B 17 4.279 -11.332 -4.672 1.00 0.00 C ATOM 540 C LEU B 17 4.668 -11.420 -3.198 1.00 0.00 C ATOM 541 O LEU B 17 5.667 -12.009 -2.838 1.00 0.00 O ATOM 542 CB LEU B 17 5.123 -10.259 -5.365 1.00 0.00 C ATOM 543 CG LEU B 17 6.604 -10.622 -5.270 1.00 0.00 C ATOM 544 CD1 LEU B 17 7.052 -11.265 -6.584 1.00 0.00 C ATOM 545 CD2 LEU B 17 7.419 -9.351 -5.015 1.00 0.00 C ATOM 0 H LEU B 17 2.635 -9.976 -4.611 1.00 0.00 H new ATOM 0 HA LEU B 17 4.452 -12.294 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.828 -10.170 -6.410 1.00 0.00 H new ATOM 0 HB3 LEU B 17 4.947 -9.289 -4.901 1.00 0.00 H new ATOM 0 HG LEU B 17 6.761 -11.324 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.108 -11.525 -6.520 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.467 -12.166 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.901 -10.562 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.477 -9.605 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.266 -8.650 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.095 -8.892 -4.081 1.00 0.00 H new ATOM 557 N VAL B 18 3.877 -10.838 -2.344 1.00 0.00 N ATOM 558 CA VAL B 18 4.188 -10.883 -0.892 1.00 0.00 C ATOM 559 C VAL B 18 3.936 -12.287 -0.366 1.00 0.00 C ATOM 560 O VAL B 18 4.814 -12.931 0.172 1.00 0.00 O ATOM 561 CB VAL B 18 3.301 -9.865 -0.156 1.00 0.00 C ATOM 562 CG1 VAL B 18 2.859 -10.396 1.216 1.00 0.00 C ATOM 563 CG2 VAL B 18 4.101 -8.589 0.049 1.00 0.00 C ATOM 0 H VAL B 18 3.026 -10.332 -2.590 1.00 0.00 H new ATOM 0 HA VAL B 18 5.235 -10.629 -0.724 1.00 0.00 H new ATOM 0 HB VAL B 18 2.410 -9.681 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.234 -9.652 1.710 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.292 -11.317 1.084 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.738 -10.596 1.829 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.487 -7.854 0.570 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.988 -8.807 0.643 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.402 -8.189 -0.919 1.00 0.00 H new ATOM 573 N CYS B 19 2.737 -12.754 -0.502 1.00 0.00 N ATOM 574 CA CYS B 19 2.420 -14.106 0.011 1.00 0.00 C ATOM 575 C CYS B 19 2.584 -15.140 -1.107 1.00 0.00 C ATOM 576 O CYS B 19 3.464 -15.977 -1.065 1.00 0.00 O ATOM 577 CB CYS B 19 0.985 -14.129 0.537 1.00 0.00 C ATOM 578 SG CYS B 19 0.940 -13.367 2.178 1.00 0.00 S ATOM 0 H CYS B 19 1.962 -12.260 -0.945 1.00 0.00 H new ATOM 0 HA CYS B 19 3.104 -14.353 0.823 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.326 -13.591 -0.145 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.621 -15.155 0.589 1.00 0.00 H new ATOM 583 N GLY B 20 1.746 -15.090 -2.106 1.00 0.00 N ATOM 584 CA GLY B 20 1.858 -16.072 -3.224 1.00 0.00 C ATOM 585 C GLY B 20 1.430 -17.460 -2.743 1.00 0.00 C ATOM 586 O GLY B 20 1.519 -18.431 -3.468 1.00 0.00 O ATOM 0 H GLY B 20 0.989 -14.413 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.232 -15.758 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.884 -16.105 -3.589 1.00 0.00 H new ATOM 590 N GLU B 21 0.965 -17.560 -1.527 1.00 0.00 N ATOM 591 CA GLU B 21 0.528 -18.885 -0.998 1.00 0.00 C ATOM 592 C GLU B 21 0.215 -18.752 0.492 1.00 0.00 C ATOM 593 O GLU B 21 1.091 -18.803 1.332 1.00 0.00 O ATOM 594 CB GLU B 21 1.642 -19.917 -1.194 1.00 0.00 C ATOM 595 CG GLU B 21 1.270 -21.217 -0.474 1.00 0.00 C ATOM 596 CD GLU B 21 2.426 -21.652 0.430 1.00 0.00 C ATOM 597 OE1 GLU B 21 3.312 -22.332 -0.061 1.00 0.00 O ATOM 598 OE2 GLU B 21 2.402 -21.301 1.598 1.00 0.00 O ATOM 0 H GLU B 21 0.869 -16.781 -0.876 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.362 -19.213 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.792 -20.108 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.583 -19.530 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.367 -21.071 0.118 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.051 -21.998 -1.202 1.00 0.00 H new ATOM 605 N ARG B 22 -1.031 -18.576 0.822 1.00 0.00 N ATOM 606 CA ARG B 22 -1.410 -18.432 2.254 1.00 0.00 C ATOM 607 C ARG B 22 -2.914 -18.178 2.347 1.00 0.00 C ATOM 608 O ARG B 22 -3.572 -18.603 3.276 1.00 0.00 O ATOM 609 CB ARG B 22 -0.658 -17.247 2.863 1.00 0.00 C ATOM 610 CG ARG B 22 -0.436 -17.489 4.357 1.00 0.00 C ATOM 611 CD ARG B 22 1.065 -17.596 4.638 1.00 0.00 C ATOM 612 NE ARG B 22 1.306 -18.662 5.650 1.00 0.00 N ATOM 613 CZ ARG B 22 2.513 -18.877 6.097 1.00 0.00 C ATOM 614 NH1 ARG B 22 3.155 -17.931 6.726 1.00 0.00 N ATOM 615 NH2 ARG B 22 3.079 -20.038 5.914 1.00 0.00 N ATOM 0 H ARG B 22 -1.806 -18.525 0.161 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.153 -19.342 2.797 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.300 -17.115 2.360 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.226 -16.328 2.714 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.868 -16.673 4.937 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.941 -18.404 4.667 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.603 -17.825 3.718 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.447 -16.642 5.001 1.00 0.00 H new ATOM 0 HE ARG B 22 0.527 -19.224 5.994 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.713 -17.023 6.869 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.098 -18.100 7.075 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.578 -20.778 5.422 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.022 -20.206 6.263 1.00 0.00 H new ATOM 629 N GLY B 23 -3.459 -17.484 1.389 1.00 0.00 N ATOM 630 CA GLY B 23 -4.918 -17.195 1.413 1.00 0.00 C ATOM 631 C GLY B 23 -5.140 -15.697 1.195 1.00 0.00 C ATOM 632 O GLY B 23 -6.039 -15.102 1.756 1.00 0.00 O ATOM 0 H GLY B 23 -2.955 -17.103 0.588 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.426 -17.767 0.637 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -5.346 -17.503 2.367 1.00 0.00 H new ATOM 636 N PHE B 24 -4.324 -15.086 0.382 1.00 0.00 N ATOM 637 CA PHE B 24 -4.474 -13.628 0.120 1.00 0.00 C ATOM 638 C PHE B 24 -5.656 -13.407 -0.837 1.00 0.00 C ATOM 639 O PHE B 24 -5.860 -14.156 -1.772 1.00 0.00 O ATOM 640 CB PHE B 24 -3.156 -13.101 -0.488 1.00 0.00 C ATOM 641 CG PHE B 24 -3.419 -12.103 -1.597 1.00 0.00 C ATOM 642 CD1 PHE B 24 -3.883 -10.818 -1.288 1.00 0.00 C ATOM 643 CD2 PHE B 24 -3.200 -12.468 -2.932 1.00 0.00 C ATOM 644 CE1 PHE B 24 -4.128 -9.897 -2.316 1.00 0.00 C ATOM 645 CE2 PHE B 24 -3.445 -11.547 -3.958 1.00 0.00 C ATOM 646 CZ PHE B 24 -3.908 -10.262 -3.651 1.00 0.00 C ATOM 0 H PHE B 24 -3.556 -15.537 -0.115 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.677 -13.085 1.043 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.556 -12.631 0.292 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.574 -13.936 -0.878 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.052 -10.537 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.842 -13.459 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.486 -8.906 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.277 -11.828 -4.987 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.096 -9.552 -4.443 1.00 0.00 H new ATOM 656 N PHE B 25 -6.432 -12.380 -0.610 1.00 0.00 N ATOM 657 CA PHE B 25 -7.593 -12.109 -1.504 1.00 0.00 C ATOM 658 C PHE B 25 -7.574 -10.635 -1.925 1.00 0.00 C ATOM 659 O PHE B 25 -7.280 -9.761 -1.135 1.00 0.00 O ATOM 660 CB PHE B 25 -8.900 -12.431 -0.762 1.00 0.00 C ATOM 661 CG PHE B 25 -9.300 -11.270 0.124 1.00 0.00 C ATOM 662 CD1 PHE B 25 -8.601 -11.019 1.312 1.00 0.00 C ATOM 663 CD2 PHE B 25 -10.370 -10.444 -0.247 1.00 0.00 C ATOM 664 CE1 PHE B 25 -8.971 -9.941 2.128 1.00 0.00 C ATOM 665 CE2 PHE B 25 -10.740 -9.367 0.570 1.00 0.00 C ATOM 666 CZ PHE B 25 -10.041 -9.116 1.757 1.00 0.00 C ATOM 0 H PHE B 25 -6.311 -11.718 0.156 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.528 -12.736 -2.393 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.693 -12.639 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.772 -13.330 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.777 -11.656 1.599 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.909 -10.638 -1.162 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.431 -9.746 3.043 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.564 -8.731 0.284 1.00 0.00 H new ATOM 0 HZ PHE B 25 -10.327 -8.286 2.387 1.00 0.00 H new ATOM 676 N TYR B 26 -7.885 -10.353 -3.160 1.00 0.00 N ATOM 677 CA TYR B 26 -7.882 -8.936 -3.619 1.00 0.00 C ATOM 678 C TYR B 26 -9.102 -8.686 -4.501 1.00 0.00 C ATOM 679 O TYR B 26 -9.640 -9.591 -5.108 1.00 0.00 O ATOM 680 CB TYR B 26 -6.608 -8.662 -4.419 1.00 0.00 C ATOM 681 CG TYR B 26 -6.593 -7.223 -4.876 1.00 0.00 C ATOM 682 CD1 TYR B 26 -6.597 -6.189 -3.932 1.00 0.00 C ATOM 683 CD2 TYR B 26 -6.569 -6.922 -6.244 1.00 0.00 C ATOM 684 CE1 TYR B 26 -6.579 -4.853 -4.354 1.00 0.00 C ATOM 685 CE2 TYR B 26 -6.549 -5.587 -6.668 1.00 0.00 C ATOM 686 CZ TYR B 26 -6.555 -4.552 -5.723 1.00 0.00 C ATOM 687 OH TYR B 26 -6.536 -3.237 -6.141 1.00 0.00 O ATOM 0 H TYR B 26 -8.140 -11.040 -3.869 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.917 -8.273 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.731 -8.868 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.558 -9.328 -5.281 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.614 -6.421 -2.877 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.566 -7.720 -6.972 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.584 -4.056 -3.625 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.529 -5.355 -7.723 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.519 -3.205 -7.120 1.00 0.00 H new ATOM 697 N THR B 27 -9.545 -7.464 -4.575 1.00 0.00 N ATOM 698 CA THR B 27 -10.733 -7.154 -5.415 1.00 0.00 C ATOM 699 C THR B 27 -10.347 -6.139 -6.490 1.00 0.00 C ATOM 700 O THR B 27 -9.188 -5.834 -6.687 1.00 0.00 O ATOM 701 CB THR B 27 -11.840 -6.570 -4.538 1.00 0.00 C ATOM 702 OG1 THR B 27 -11.567 -5.200 -4.282 1.00 0.00 O ATOM 703 CG2 THR B 27 -11.899 -7.338 -3.217 1.00 0.00 C ATOM 0 H THR B 27 -9.136 -6.666 -4.090 1.00 0.00 H new ATOM 0 HA THR B 27 -11.090 -8.068 -5.890 1.00 0.00 H new ATOM 0 HB THR B 27 -12.798 -6.658 -5.051 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.277 -4.824 -3.721 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.688 -6.923 -2.590 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.109 -8.389 -3.416 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.942 -7.250 -2.702 1.00 0.00 H new ATOM 711 N LYS B 28 -11.316 -5.611 -7.184 1.00 0.00 N ATOM 712 CA LYS B 28 -11.015 -4.612 -8.247 1.00 0.00 C ATOM 713 C LYS B 28 -11.904 -3.381 -8.049 1.00 0.00 C ATOM 714 O LYS B 28 -12.990 -3.483 -7.512 1.00 0.00 O ATOM 715 CB LYS B 28 -11.283 -5.220 -9.631 1.00 0.00 C ATOM 716 CG LYS B 28 -12.288 -6.370 -9.511 1.00 0.00 C ATOM 717 CD LYS B 28 -12.458 -7.046 -10.873 1.00 0.00 C ATOM 718 CE LYS B 28 -12.964 -8.474 -10.673 1.00 0.00 C ATOM 719 NZ LYS B 28 -13.165 -9.117 -12.002 1.00 0.00 N ATOM 0 H LYS B 28 -12.305 -5.828 -7.061 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.966 -4.324 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.671 -4.456 -10.304 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.351 -5.584 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.941 -7.095 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.248 -5.992 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.161 -6.482 -11.486 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.508 -7.057 -11.407 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.248 -9.047 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.900 -8.465 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.509 -10.089 -11.869 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.864 -8.574 -12.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.262 -9.137 -12.518 1.00 0.00 H new ATOM 733 N PRO B 29 -11.412 -2.253 -8.490 1.00 0.00 N ATOM 734 CA PRO B 29 -12.135 -0.976 -8.379 1.00 0.00 C ATOM 735 C PRO B 29 -13.205 -0.881 -9.466 1.00 0.00 C ATOM 736 O PRO B 29 -14.345 -1.251 -9.267 1.00 0.00 O ATOM 737 CB PRO B 29 -11.042 0.075 -8.593 1.00 0.00 C ATOM 738 CG PRO B 29 -9.903 -0.632 -9.365 1.00 0.00 C ATOM 739 CD PRO B 29 -10.091 -2.144 -9.141 1.00 0.00 C ATOM 0 HA PRO B 29 -12.653 -0.854 -7.428 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.425 0.925 -9.158 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -10.683 0.462 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.946 -0.389 -10.427 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.928 -0.305 -9.003 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.065 -2.692 -10.083 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.302 -2.554 -8.511 1.00 0.00 H new ATOM 747 N THR B 30 -12.842 -0.391 -10.614 1.00 0.00 N ATOM 748 CA THR B 30 -13.829 -0.273 -11.722 1.00 0.00 C ATOM 749 C THR B 30 -13.382 -1.153 -12.891 1.00 0.00 C ATOM 750 O THR B 30 -12.618 -0.672 -13.712 1.00 0.00 O ATOM 751 CB THR B 30 -13.908 1.185 -12.180 1.00 0.00 C ATOM 752 OG1 THR B 30 -13.340 2.024 -11.183 1.00 0.00 O ATOM 753 CG2 THR B 30 -15.371 1.571 -12.403 1.00 0.00 C ATOM 754 OXT THR B 30 -13.811 -2.293 -12.945 1.00 0.00 O ATOM 0 H THR B 30 -11.901 -0.065 -10.835 1.00 0.00 H new ATOM 0 HA THR B 30 -14.810 -0.597 -11.376 1.00 0.00 H new ATOM 0 HB THR B 30 -13.357 1.305 -13.113 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.388 2.958 -11.475 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.428 2.609 -12.729 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.805 0.926 -13.167 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.925 1.453 -11.472 1.00 0.00 H new TER 762 THR B 30