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 (7 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 NoAdj-H: A 3 ABA H : A 3 ABA N : A 2 ILE C :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ -161:sc= 0.0767 (180deg=-0.255) USER MOD Set 1.2: B 27 THR OG1 : rot -138:sc= 0.901 USER MOD Set 2.1: A 8 THR OG1 : rot -52:sc= 1.08 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.0729 K(o=-0.073,f=-0.59) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0925 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.2) USER MOD Single : A 18 ASN : amide:sc= 0.607 K(o=0.61,f=-0.49) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.176 X(o=0.18,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.6!) USER MOD Single : B 5 HIS : no HE2:sc= 0.0266 K(o=0.027,f=-6.3!) 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 165:sc= -0.0837 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 52:sc= -0.0458! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.320 -3.743 9.790 1.00 0.00 N ATOM 2 CA GLY A 1 0.197 -3.734 9.600 1.00 0.00 C ATOM 3 C GLY A 1 0.762 -3.613 8.225 1.00 0.00 C ATOM 4 O GLY A 1 1.933 -3.850 8.003 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.548 -3.510 10.778 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.753 -3.038 9.160 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.693 -4.687 9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.596 -2.910 10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.586 -4.655 10.034 1.00 0.00 H new ATOM 10 N ILE A 2 -0.045 -3.245 7.268 1.00 0.00 N ATOM 11 CA ILE A 2 0.472 -3.112 5.877 1.00 0.00 C ATOM 12 C ILE A 2 1.658 -2.149 5.860 1.00 0.00 C ATOM 13 O ILE A 2 2.740 -2.498 5.440 1.00 0.00 O ATOM 14 CB ILE A 2 -0.638 -2.594 4.949 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.028 -2.180 3.596 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.340 -1.396 5.594 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.970 -1.222 2.862 1.00 0.00 C ATOM 0 H ILE A 2 -1.035 -3.032 7.388 1.00 0.00 H new ATOM 0 HA ILE A 2 0.798 -4.090 5.522 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.369 -3.386 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.938 -1.701 3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.152 -3.064 2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.126 -1.034 4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.779 -1.700 6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.616 -0.600 5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.528 -0.937 1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.926 -1.715 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.128 -0.331 3.469 1.00 0.00 H new HETATM 29 N ABA A 3 1.454 -0.942 6.302 1.00 0.00 N HETATM 30 CA ABA A 3 2.558 0.066 6.309 1.00 0.00 C HETATM 31 C ABA A 3 3.869 -0.607 6.696 1.00 0.00 C HETATM 32 O ABA A 3 4.679 -0.915 5.853 1.00 0.00 O HETATM 33 CB ABA A 3 2.265 1.205 7.303 1.00 0.00 C HETATM 34 CG ABA A 3 0.974 0.940 8.084 1.00 0.00 C HETATM 0 HN2 ABA A 3 0.504 -0.657 6.063 1.00 0.00 H new HETATM 0 HG3 ABA A 3 1.071 0.008 8.642 1.00 0.00 H new HETATM 0 HG2 ABA A 3 0.138 0.862 7.389 1.00 0.00 H new HETATM 0 HG1 ABA A 3 0.793 1.761 8.778 1.00 0.00 H new HETATM 0 HB3 ABA A 3 2.180 2.149 6.764 1.00 0.00 H new HETATM 0 HB2 ABA A 3 3.099 1.309 7.998 1.00 0.00 H new HETATM 0 HA ABA A 3 2.635 0.487 5.307 1.00 0.00 H new ATOM 42 N GLU A 4 4.073 -0.827 7.965 1.00 0.00 N ATOM 43 CA GLU A 4 5.330 -1.479 8.452 1.00 0.00 C ATOM 44 C GLU A 4 5.901 -2.420 7.385 1.00 0.00 C ATOM 45 O GLU A 4 7.056 -2.327 7.017 1.00 0.00 O ATOM 46 CB GLU A 4 5.012 -2.284 9.709 1.00 0.00 C ATOM 47 CG GLU A 4 6.163 -2.149 10.707 1.00 0.00 C ATOM 48 CD GLU A 4 5.929 -3.091 11.890 1.00 0.00 C ATOM 49 OE1 GLU A 4 5.242 -2.690 12.815 1.00 0.00 O ATOM 50 OE2 GLU A 4 6.443 -4.197 11.852 1.00 0.00 O ATOM 0 H GLU A 4 3.412 -0.579 8.701 1.00 0.00 H new ATOM 0 HA GLU A 4 6.069 -0.707 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.085 -1.927 10.157 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.860 -3.333 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.109 -2.387 10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.235 -1.119 11.058 1.00 0.00 H new ATOM 57 N GLN A 5 5.100 -3.317 6.880 1.00 0.00 N ATOM 58 CA GLN A 5 5.595 -4.255 5.832 1.00 0.00 C ATOM 59 C GLN A 5 5.745 -3.494 4.517 1.00 0.00 C ATOM 60 O GLN A 5 6.728 -3.620 3.814 1.00 0.00 O ATOM 61 CB GLN A 5 4.584 -5.386 5.649 1.00 0.00 C ATOM 62 CG GLN A 5 5.312 -6.648 5.186 1.00 0.00 C ATOM 63 CD GLN A 5 4.334 -7.558 4.441 1.00 0.00 C ATOM 64 OE1 GLN A 5 3.608 -7.111 3.576 1.00 0.00 O ATOM 65 NE2 GLN A 5 4.285 -8.825 4.744 1.00 0.00 N ATOM 0 H GLN A 5 4.124 -3.442 7.147 1.00 0.00 H new ATOM 0 HA GLN A 5 6.557 -4.671 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.062 -5.577 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.829 -5.099 4.917 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.145 -6.382 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.733 -7.173 6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.895 -9.200 5.471 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.637 -9.442 4.254 1.00 0.00 H new ATOM 74 N CYS A 6 4.772 -2.694 4.192 1.00 0.00 N ATOM 75 CA CYS A 6 4.815 -1.896 2.945 1.00 0.00 C ATOM 76 C CYS A 6 5.507 -0.561 3.247 1.00 0.00 C ATOM 77 O CYS A 6 5.258 0.437 2.602 1.00 0.00 O ATOM 78 CB CYS A 6 3.368 -1.639 2.506 1.00 0.00 C ATOM 79 SG CYS A 6 2.632 -3.140 1.805 1.00 0.00 S ATOM 0 H CYS A 6 3.931 -2.559 4.753 1.00 0.00 H new ATOM 0 HA CYS A 6 5.360 -2.418 2.158 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.778 -1.304 3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.344 -0.838 1.767 1.00 0.00 H new ATOM 84 N CYS A 7 6.359 -0.538 4.241 1.00 0.00 N ATOM 85 CA CYS A 7 7.054 0.727 4.617 1.00 0.00 C ATOM 86 C CYS A 7 8.484 0.416 5.085 1.00 0.00 C ATOM 87 O CYS A 7 9.392 1.194 4.870 1.00 0.00 O ATOM 88 CB CYS A 7 6.266 1.413 5.738 1.00 0.00 C ATOM 89 SG CYS A 7 7.199 2.834 6.360 1.00 0.00 S ATOM 0 H CYS A 7 6.603 -1.348 4.811 1.00 0.00 H new ATOM 0 HA CYS A 7 7.108 1.391 3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.295 1.738 5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.077 0.707 6.547 1.00 0.00 H new ATOM 94 N THR A 8 8.703 -0.721 5.699 1.00 0.00 N ATOM 95 CA THR A 8 10.080 -1.074 6.143 1.00 0.00 C ATOM 96 C THR A 8 10.675 -2.011 5.098 1.00 0.00 C ATOM 97 O THR A 8 11.841 -1.939 4.763 1.00 0.00 O ATOM 98 CB THR A 8 10.027 -1.783 7.500 1.00 0.00 C ATOM 99 OG1 THR A 8 9.460 -3.076 7.336 1.00 0.00 O ATOM 100 CG2 THR A 8 9.174 -0.969 8.473 1.00 0.00 C ATOM 0 H THR A 8 7.987 -1.416 5.910 1.00 0.00 H new ATOM 0 HA THR A 8 10.688 -0.176 6.248 1.00 0.00 H new ATOM 0 HB THR A 8 11.037 -1.877 7.899 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.606 -3.001 6.862 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.138 -1.476 9.437 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.611 0.021 8.600 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.163 -0.871 8.077 1.00 0.00 H new ATOM 108 N SER A 9 9.857 -2.874 4.563 1.00 0.00 N ATOM 109 CA SER A 9 10.332 -3.812 3.510 1.00 0.00 C ATOM 110 C SER A 9 9.908 -3.246 2.152 1.00 0.00 C ATOM 111 O SER A 9 9.988 -2.056 1.923 1.00 0.00 O ATOM 112 CB SER A 9 9.704 -5.195 3.726 1.00 0.00 C ATOM 113 OG SER A 9 9.429 -5.376 5.109 1.00 0.00 O ATOM 0 H SER A 9 8.873 -2.970 4.813 1.00 0.00 H new ATOM 0 HA SER A 9 11.416 -3.918 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.785 -5.284 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.381 -5.973 3.373 1.00 0.00 H new ATOM 0 HG SER A 9 9.026 -6.258 5.250 1.00 0.00 H new ATOM 119 N ILE A 10 9.445 -4.068 1.252 1.00 0.00 N ATOM 120 CA ILE A 10 9.015 -3.534 -0.068 1.00 0.00 C ATOM 121 C ILE A 10 7.562 -3.941 -0.336 1.00 0.00 C ATOM 122 O ILE A 10 7.059 -4.901 0.212 1.00 0.00 O ATOM 123 CB ILE A 10 9.926 -4.089 -1.173 1.00 0.00 C ATOM 124 CG1 ILE A 10 11.163 -3.202 -1.306 1.00 0.00 C ATOM 125 CG2 ILE A 10 9.177 -4.108 -2.509 1.00 0.00 C ATOM 126 CD1 ILE A 10 12.194 -3.597 -0.247 1.00 0.00 C ATOM 0 H ILE A 10 9.347 -5.076 1.372 1.00 0.00 H new ATOM 0 HA ILE A 10 9.088 -2.446 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 10 10.224 -5.104 -0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.592 -3.306 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.886 -2.155 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.830 -4.503 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.293 -4.740 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.873 -3.094 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.076 -2.963 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.763 -3.470 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.479 -4.639 -0.388 1.00 0.00 H new ATOM 138 N CYS A 11 6.896 -3.218 -1.195 1.00 0.00 N ATOM 139 CA CYS A 11 5.484 -3.556 -1.528 1.00 0.00 C ATOM 140 C CYS A 11 5.199 -3.130 -2.966 1.00 0.00 C ATOM 141 O CYS A 11 5.281 -1.969 -3.312 1.00 0.00 O ATOM 142 CB CYS A 11 4.539 -2.859 -0.554 1.00 0.00 C ATOM 143 SG CYS A 11 4.119 -4.027 0.767 1.00 0.00 S ATOM 0 H CYS A 11 7.272 -2.404 -1.682 1.00 0.00 H new ATOM 0 HA CYS A 11 5.326 -4.631 -1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.011 -1.969 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.637 -2.529 -1.070 1.00 0.00 H new ATOM 148 N SER A 12 4.888 -4.075 -3.811 1.00 0.00 N ATOM 149 CA SER A 12 4.625 -3.750 -5.240 1.00 0.00 C ATOM 150 C SER A 12 3.225 -3.173 -5.406 1.00 0.00 C ATOM 151 O SER A 12 2.334 -3.410 -4.618 1.00 0.00 O ATOM 152 CB SER A 12 4.753 -5.019 -6.083 1.00 0.00 C ATOM 153 OG SER A 12 4.636 -6.158 -5.239 1.00 0.00 O ATOM 0 H SER A 12 4.805 -5.063 -3.571 1.00 0.00 H new ATOM 0 HA SER A 12 5.353 -3.010 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.979 -5.039 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.713 -5.031 -6.599 1.00 0.00 H new ATOM 0 HG SER A 12 4.716 -6.973 -5.777 1.00 0.00 H new ATOM 159 N LEU A 13 3.043 -2.412 -6.443 1.00 0.00 N ATOM 160 CA LEU A 13 1.723 -1.786 -6.714 1.00 0.00 C ATOM 161 C LEU A 13 0.629 -2.851 -6.850 1.00 0.00 C ATOM 162 O LEU A 13 -0.542 -2.534 -6.907 1.00 0.00 O ATOM 163 CB LEU A 13 1.818 -0.999 -8.016 1.00 0.00 C ATOM 164 CG LEU A 13 2.195 -1.964 -9.134 1.00 0.00 C ATOM 165 CD1 LEU A 13 1.500 -1.549 -10.425 1.00 0.00 C ATOM 166 CD2 LEU A 13 3.709 -1.944 -9.348 1.00 0.00 C ATOM 0 H LEU A 13 3.767 -2.193 -7.128 1.00 0.00 H new ATOM 0 HA LEU A 13 1.464 -1.130 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.867 -0.515 -8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.564 -0.209 -7.929 1.00 0.00 H new ATOM 0 HG LEU A 13 1.881 -2.970 -8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.771 -2.240 -11.223 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.420 -1.569 -10.279 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.811 -0.541 -10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.973 -2.636 -10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.025 -0.937 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.210 -2.245 -8.428 1.00 0.00 H new ATOM 178 N TYR A 14 0.978 -4.110 -6.880 1.00 0.00 N ATOM 179 CA TYR A 14 -0.074 -5.150 -6.991 1.00 0.00 C ATOM 180 C TYR A 14 -0.281 -5.695 -5.603 1.00 0.00 C ATOM 181 O TYR A 14 -1.383 -5.962 -5.166 1.00 0.00 O ATOM 182 CB TYR A 14 0.385 -6.255 -7.945 1.00 0.00 C ATOM 183 CG TYR A 14 -0.524 -7.454 -7.816 1.00 0.00 C ATOM 184 CD1 TYR A 14 -0.353 -8.353 -6.754 1.00 0.00 C ATOM 185 CD2 TYR A 14 -1.535 -7.671 -8.761 1.00 0.00 C ATOM 186 CE1 TYR A 14 -1.193 -9.469 -6.639 1.00 0.00 C ATOM 187 CE2 TYR A 14 -2.376 -8.787 -8.646 1.00 0.00 C ATOM 188 CZ TYR A 14 -2.205 -9.686 -7.585 1.00 0.00 C ATOM 189 OH TYR A 14 -3.031 -10.784 -7.472 1.00 0.00 O ATOM 0 H TYR A 14 1.936 -4.456 -6.833 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.003 -4.742 -7.389 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.375 -5.889 -8.972 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.412 -6.540 -7.718 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.426 -8.186 -6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.667 -6.978 -9.579 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.061 -10.162 -5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.155 -8.954 -9.375 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.678 -10.784 -8.208 1.00 0.00 H new ATOM 199 N GLN A 15 0.786 -5.791 -4.891 1.00 0.00 N ATOM 200 CA GLN A 15 0.714 -6.238 -3.496 1.00 0.00 C ATOM 201 C GLN A 15 -0.077 -5.176 -2.748 1.00 0.00 C ATOM 202 O GLN A 15 -0.823 -5.444 -1.827 1.00 0.00 O ATOM 203 CB GLN A 15 2.136 -6.283 -2.965 1.00 0.00 C ATOM 204 CG GLN A 15 2.650 -7.719 -2.966 1.00 0.00 C ATOM 205 CD GLN A 15 1.951 -8.519 -1.864 1.00 0.00 C ATOM 206 OE1 GLN A 15 1.341 -9.535 -2.130 1.00 0.00 O ATOM 207 NE2 GLN A 15 2.017 -8.103 -0.628 1.00 0.00 N ATOM 0 H GLN A 15 1.725 -5.574 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 15 0.246 -7.216 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.782 -5.657 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.168 -5.878 -1.954 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.466 -8.181 -3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.728 -7.729 -2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.529 -7.250 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.556 -8.631 0.113 1.00 0.00 H new ATOM 216 N LEU A 16 0.078 -3.961 -3.188 1.00 0.00 N ATOM 217 CA LEU A 16 -0.643 -2.822 -2.582 1.00 0.00 C ATOM 218 C LEU A 16 -2.025 -2.770 -3.196 1.00 0.00 C ATOM 219 O LEU A 16 -2.956 -2.227 -2.634 1.00 0.00 O ATOM 220 CB LEU A 16 0.152 -1.558 -2.884 1.00 0.00 C ATOM 221 CG LEU A 16 1.542 -1.713 -2.258 1.00 0.00 C ATOM 222 CD1 LEU A 16 2.319 -0.403 -2.354 1.00 0.00 C ATOM 223 CD2 LEU A 16 1.393 -2.114 -0.788 1.00 0.00 C ATOM 0 H LEU A 16 0.692 -3.709 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.746 -2.922 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.233 -1.407 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.354 -0.683 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 16 2.090 -2.485 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.304 -0.530 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.431 -0.123 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.777 0.381 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.380 -2.225 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.837 -1.343 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.856 -3.060 -0.722 1.00 0.00 H new ATOM 235 N GLU A 17 -2.170 -3.374 -4.335 1.00 0.00 N ATOM 236 CA GLU A 17 -3.489 -3.414 -4.983 1.00 0.00 C ATOM 237 C GLU A 17 -4.342 -4.456 -4.251 1.00 0.00 C ATOM 238 O GLU A 17 -5.558 -4.427 -4.284 1.00 0.00 O ATOM 239 CB GLU A 17 -3.302 -3.826 -6.443 1.00 0.00 C ATOM 240 CG GLU A 17 -4.653 -3.808 -7.158 1.00 0.00 C ATOM 241 CD GLU A 17 -4.577 -4.678 -8.414 1.00 0.00 C ATOM 242 OE1 GLU A 17 -3.579 -4.592 -9.110 1.00 0.00 O ATOM 243 OE2 GLU A 17 -5.518 -5.414 -8.658 1.00 0.00 O ATOM 0 H GLU A 17 -1.421 -3.844 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.978 -2.441 -4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.608 -3.146 -6.937 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.864 -4.823 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.433 -4.178 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.921 -2.786 -7.426 1.00 0.00 H new ATOM 250 N ASN A 18 -3.698 -5.382 -3.584 1.00 0.00 N ATOM 251 CA ASN A 18 -4.451 -6.442 -2.851 1.00 0.00 C ATOM 252 C ASN A 18 -4.994 -5.892 -1.530 1.00 0.00 C ATOM 253 O ASN A 18 -5.706 -6.569 -0.816 1.00 0.00 O ATOM 254 CB ASN A 18 -3.515 -7.618 -2.560 1.00 0.00 C ATOM 255 CG ASN A 18 -4.326 -8.914 -2.486 1.00 0.00 C ATOM 256 OD1 ASN A 18 -3.939 -9.918 -3.049 1.00 0.00 O ATOM 257 ND2 ASN A 18 -5.441 -8.936 -1.808 1.00 0.00 N ATOM 0 H ASN A 18 -2.682 -5.448 -3.517 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.286 -6.773 -3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.758 -7.695 -3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.988 -7.453 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.987 -9.796 -1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.767 -8.093 -1.335 1.00 0.00 H new ATOM 264 N TYR A 19 -4.667 -4.676 -1.191 1.00 0.00 N ATOM 265 CA TYR A 19 -5.176 -4.111 0.090 1.00 0.00 C ATOM 266 C TYR A 19 -6.441 -3.295 -0.170 1.00 0.00 C ATOM 267 O TYR A 19 -6.930 -2.603 0.702 1.00 0.00 O ATOM 268 CB TYR A 19 -4.116 -3.208 0.720 1.00 0.00 C ATOM 269 CG TYR A 19 -3.088 -4.054 1.434 1.00 0.00 C ATOM 270 CD1 TYR A 19 -1.999 -4.577 0.726 1.00 0.00 C ATOM 271 CD2 TYR A 19 -3.223 -4.317 2.805 1.00 0.00 C ATOM 272 CE1 TYR A 19 -1.044 -5.362 1.385 1.00 0.00 C ATOM 273 CE2 TYR A 19 -2.268 -5.103 3.465 1.00 0.00 C ATOM 274 CZ TYR A 19 -1.179 -5.625 2.755 1.00 0.00 C ATOM 275 OH TYR A 19 -0.239 -6.400 3.404 1.00 0.00 O ATOM 0 H TYR A 19 -4.074 -4.053 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.404 -4.932 0.770 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.634 -2.605 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.583 -2.517 1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.895 -4.375 -0.330 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.062 -3.914 3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.204 -5.764 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.372 -5.306 4.521 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.481 -6.484 4.350 1.00 0.00 H new ATOM 285 N CYS A 20 -6.983 -3.363 -1.356 1.00 0.00 N ATOM 286 CA CYS A 20 -8.219 -2.578 -1.638 1.00 0.00 C ATOM 287 C CYS A 20 -9.446 -3.396 -1.238 1.00 0.00 C ATOM 288 O CYS A 20 -9.334 -4.495 -0.733 1.00 0.00 O ATOM 289 CB CYS A 20 -8.300 -2.245 -3.127 1.00 0.00 C ATOM 290 SG CYS A 20 -6.638 -1.968 -3.782 1.00 0.00 S ATOM 0 H CYS A 20 -6.629 -3.921 -2.133 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.189 -1.652 -1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.782 -3.061 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.913 -1.357 -3.278 1.00 0.00 H new ATOM 295 N ASN A 21 -10.617 -2.868 -1.461 1.00 0.00 N ATOM 296 CA ASN A 21 -11.853 -3.615 -1.095 1.00 0.00 C ATOM 297 C ASN A 21 -12.012 -4.817 -2.027 1.00 0.00 C ATOM 298 O ASN A 21 -11.315 -4.864 -3.026 1.00 0.00 O ATOM 299 CB ASN A 21 -13.065 -2.693 -1.238 1.00 0.00 C ATOM 300 CG ASN A 21 -14.202 -3.207 -0.355 1.00 0.00 C ATOM 301 OD1 ASN A 21 -15.227 -3.633 -0.850 1.00 0.00 O ATOM 302 ND2 ASN A 21 -14.065 -3.187 0.943 1.00 0.00 N ATOM 303 OXT ASN A 21 -12.830 -5.671 -1.725 1.00 0.00 O ATOM 0 H ASN A 21 -10.772 -1.951 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.780 -3.961 -0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.798 -1.676 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.387 -2.656 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.818 -3.529 1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.205 -2.830 1.360 1.00 0.00 H new TER 310 ASN A 21 ATOM 311 N PHE B 1 6.982 -2.147 -10.612 1.00 0.00 N ATOM 312 CA PHE B 1 7.778 -1.058 -11.246 1.00 0.00 C ATOM 313 C PHE B 1 9.163 -0.999 -10.599 1.00 0.00 C ATOM 314 O PHE B 1 10.175 -1.047 -11.270 1.00 0.00 O ATOM 315 CB PHE B 1 7.061 0.280 -11.048 1.00 0.00 C ATOM 316 CG PHE B 1 7.092 1.066 -12.337 1.00 0.00 C ATOM 317 CD1 PHE B 1 8.309 1.556 -12.829 1.00 0.00 C ATOM 318 CD2 PHE B 1 5.904 1.307 -13.041 1.00 0.00 C ATOM 319 CE1 PHE B 1 8.339 2.287 -14.025 1.00 0.00 C ATOM 320 CE2 PHE B 1 5.935 2.038 -14.237 1.00 0.00 C ATOM 321 CZ PHE B 1 7.152 2.527 -14.728 1.00 0.00 C ATOM 0 H1 PHE B 1 6.040 -2.189 -11.051 1.00 0.00 H new ATOM 0 H2 PHE B 1 7.468 -3.056 -10.748 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.882 -1.957 -9.594 1.00 0.00 H new ATOM 0 HA PHE B 1 7.884 -1.256 -12.313 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.030 0.109 -10.739 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.543 0.848 -10.252 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.224 1.371 -12.287 1.00 0.00 H new ATOM 0 HD2 PHE B 1 4.965 0.930 -12.662 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.277 2.665 -14.404 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.020 2.224 -14.780 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.175 3.090 -15.650 1.00 0.00 H new ATOM 333 N VAL B 2 9.216 -0.897 -9.299 1.00 0.00 N ATOM 334 CA VAL B 2 10.536 -0.837 -8.607 1.00 0.00 C ATOM 335 C VAL B 2 10.510 -1.760 -7.385 1.00 0.00 C ATOM 336 O VAL B 2 9.694 -2.655 -7.292 1.00 0.00 O ATOM 337 CB VAL B 2 10.809 0.601 -8.163 1.00 0.00 C ATOM 338 CG1 VAL B 2 10.874 1.510 -9.392 1.00 0.00 C ATOM 339 CG2 VAL B 2 9.681 1.069 -7.243 1.00 0.00 C ATOM 0 H VAL B 2 8.402 -0.853 -8.685 1.00 0.00 H new ATOM 0 HA VAL B 2 11.324 -1.161 -9.287 1.00 0.00 H new ATOM 0 HB VAL B 2 11.758 0.644 -7.629 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.069 2.535 -9.077 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.675 1.175 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.925 1.469 -9.926 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.873 2.094 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.733 1.027 -7.779 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.632 0.421 -6.368 1.00 0.00 H new ATOM 349 N ASN B 3 11.399 -1.558 -6.448 1.00 0.00 N ATOM 350 CA ASN B 3 11.419 -2.437 -5.243 1.00 0.00 C ATOM 351 C ASN B 3 11.804 -1.618 -4.010 1.00 0.00 C ATOM 352 O ASN B 3 12.779 -1.900 -3.343 1.00 0.00 O ATOM 353 CB ASN B 3 12.444 -3.546 -5.453 1.00 0.00 C ATOM 354 CG ASN B 3 11.727 -4.891 -5.586 1.00 0.00 C ATOM 355 OD1 ASN B 3 11.819 -5.730 -4.713 1.00 0.00 O ATOM 356 ND2 ASN B 3 11.013 -5.132 -6.651 1.00 0.00 N ATOM 0 H ASN B 3 12.109 -0.826 -6.465 1.00 0.00 H new ATOM 0 HA ASN B 3 10.430 -2.869 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN B 3 13.032 -3.346 -6.349 1.00 0.00 H new ATOM 0 HB3 ASN B 3 13.140 -3.575 -4.615 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.532 -6.026 -6.751 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.936 -4.427 -7.384 1.00 0.00 H new ATOM 363 N GLN B 4 11.048 -0.603 -3.710 1.00 0.00 N ATOM 364 CA GLN B 4 11.370 0.244 -2.526 1.00 0.00 C ATOM 365 C GLN B 4 10.292 0.083 -1.446 1.00 0.00 C ATOM 366 O GLN B 4 9.396 -0.737 -1.554 1.00 0.00 O ATOM 367 CB GLN B 4 11.443 1.710 -2.959 1.00 0.00 C ATOM 368 CG GLN B 4 12.608 2.399 -2.245 1.00 0.00 C ATOM 369 CD GLN B 4 12.385 3.912 -2.246 1.00 0.00 C ATOM 370 OE1 GLN B 4 11.287 4.377 -2.478 1.00 0.00 O ATOM 371 NE2 GLN B 4 13.390 4.705 -1.996 1.00 0.00 N ATOM 0 H GLN B 4 10.219 -0.321 -4.233 1.00 0.00 H new ATOM 0 HA GLN B 4 12.329 -0.070 -2.115 1.00 0.00 H new ATOM 0 HB2 GLN B 4 11.576 1.774 -4.039 1.00 0.00 H new ATOM 0 HB3 GLN B 4 10.507 2.217 -2.722 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.688 2.033 -1.221 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.547 2.159 -2.744 1.00 0.00 H new ATOM 0 HE21 GLN B 4 14.312 4.314 -1.801 1.00 0.00 H new ATOM 0 HE22 GLN B 4 13.254 5.716 -1.995 1.00 0.00 H new ATOM 380 N HIS B 5 10.383 0.863 -0.400 1.00 0.00 N ATOM 381 CA HIS B 5 9.385 0.772 0.706 1.00 0.00 C ATOM 382 C HIS B 5 8.337 1.880 0.540 1.00 0.00 C ATOM 383 O HIS B 5 8.501 2.787 -0.252 1.00 0.00 O ATOM 384 CB HIS B 5 10.093 0.931 2.060 1.00 0.00 C ATOM 385 CG HIS B 5 11.565 0.634 1.914 1.00 0.00 C ATOM 386 ND1 HIS B 5 12.046 -0.658 1.955 1.00 0.00 N ATOM 387 CD2 HIS B 5 12.637 1.463 1.726 1.00 0.00 C ATOM 388 CE1 HIS B 5 13.375 -0.579 1.792 1.00 0.00 C ATOM 389 NE2 HIS B 5 13.782 0.699 1.648 1.00 0.00 N ATOM 0 H HIS B 5 11.111 1.564 -0.264 1.00 0.00 H new ATOM 0 HA HIS B 5 8.895 -0.201 0.671 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.954 1.945 2.435 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.649 0.257 2.793 1.00 0.00 H new ATOM 0 HD1 HIS B 5 11.498 -1.508 2.084 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.593 2.540 1.651 1.00 0.00 H new ATOM 0 HE1 HIS B 5 14.037 -1.432 1.778 1.00 0.00 H new ATOM 397 N LEU B 6 7.252 1.806 1.264 1.00 0.00 N ATOM 398 CA LEU B 6 6.189 2.848 1.123 1.00 0.00 C ATOM 399 C LEU B 6 5.747 3.362 2.488 1.00 0.00 C ATOM 400 O LEU B 6 5.481 2.600 3.394 1.00 0.00 O ATOM 401 CB LEU B 6 4.962 2.210 0.469 1.00 0.00 C ATOM 402 CG LEU B 6 4.526 2.917 -0.830 1.00 0.00 C ATOM 403 CD1 LEU B 6 5.733 3.511 -1.559 1.00 0.00 C ATOM 404 CD2 LEU B 6 3.860 1.884 -1.731 1.00 0.00 C ATOM 0 H LEU B 6 7.055 1.073 1.945 1.00 0.00 H new ATOM 0 HA LEU B 6 6.592 3.668 0.529 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.178 1.164 0.250 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.133 2.223 1.177 1.00 0.00 H new ATOM 0 HG LEU B 6 3.839 3.727 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.400 4.004 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.227 4.237 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.433 2.715 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.542 2.361 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.569 1.087 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.992 1.464 -1.223 1.00 0.00 H new ATOM 416 N CYS B 7 5.623 4.647 2.637 1.00 0.00 N ATOM 417 CA CYS B 7 5.152 5.185 3.937 1.00 0.00 C ATOM 418 C CYS B 7 4.479 6.545 3.715 1.00 0.00 C ATOM 419 O CYS B 7 4.862 7.307 2.846 1.00 0.00 O ATOM 420 CB CYS B 7 6.328 5.350 4.912 1.00 0.00 C ATOM 421 SG CYS B 7 7.508 3.987 4.729 1.00 0.00 S ATOM 0 H CYS B 7 5.826 5.344 1.920 1.00 0.00 H new ATOM 0 HA CYS B 7 4.437 4.483 4.366 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.830 6.300 4.727 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.956 5.381 5.936 1.00 0.00 H new ATOM 426 N GLY B 8 3.482 6.856 4.498 1.00 0.00 N ATOM 427 CA GLY B 8 2.790 8.168 4.346 1.00 0.00 C ATOM 428 C GLY B 8 2.061 8.239 3.002 1.00 0.00 C ATOM 429 O GLY B 8 1.557 7.253 2.495 1.00 0.00 O ATOM 0 H GLY B 8 3.116 6.257 5.238 1.00 0.00 H new ATOM 0 HA2 GLY B 8 2.078 8.306 5.160 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.516 8.978 4.416 1.00 0.00 H new ATOM 433 N SER B 9 1.992 9.411 2.427 1.00 0.00 N ATOM 434 CA SER B 9 1.289 9.570 1.124 1.00 0.00 C ATOM 435 C SER B 9 1.805 8.541 0.122 1.00 0.00 C ATOM 436 O SER B 9 1.073 8.059 -0.720 1.00 0.00 O ATOM 437 CB SER B 9 1.537 10.977 0.579 1.00 0.00 C ATOM 438 OG SER B 9 0.488 11.836 1.006 1.00 0.00 O ATOM 0 H SER B 9 2.395 10.267 2.807 1.00 0.00 H new ATOM 0 HA SER B 9 0.220 9.417 1.276 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.497 11.353 0.932 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.585 10.955 -0.510 1.00 0.00 H new ATOM 0 HG SER B 9 0.644 12.740 0.660 1.00 0.00 H new ATOM 444 N ASP B 10 3.056 8.200 0.204 1.00 0.00 N ATOM 445 CA ASP B 10 3.612 7.202 -0.750 1.00 0.00 C ATOM 446 C ASP B 10 2.779 5.925 -0.678 1.00 0.00 C ATOM 447 O ASP B 10 2.563 5.251 -1.667 1.00 0.00 O ATOM 448 CB ASP B 10 5.062 6.888 -0.378 1.00 0.00 C ATOM 449 CG ASP B 10 5.806 8.191 -0.084 1.00 0.00 C ATOM 450 OD1 ASP B 10 5.701 8.670 1.033 1.00 0.00 O ATOM 451 OD2 ASP B 10 6.469 8.687 -0.980 1.00 0.00 O ATOM 0 H ASP B 10 3.718 8.567 0.888 1.00 0.00 H new ATOM 0 HA ASP B 10 3.581 7.606 -1.762 1.00 0.00 H new ATOM 0 HB2 ASP B 10 5.092 6.235 0.494 1.00 0.00 H new ATOM 0 HB3 ASP B 10 5.550 6.354 -1.193 1.00 0.00 H new ATOM 456 N LEU B 11 2.308 5.587 0.489 1.00 0.00 N ATOM 457 CA LEU B 11 1.491 4.353 0.631 1.00 0.00 C ATOM 458 C LEU B 11 0.095 4.590 0.054 1.00 0.00 C ATOM 459 O LEU B 11 -0.431 3.765 -0.665 1.00 0.00 O ATOM 460 CB LEU B 11 1.389 3.982 2.113 1.00 0.00 C ATOM 461 CG LEU B 11 0.773 2.586 2.275 1.00 0.00 C ATOM 462 CD1 LEU B 11 1.315 1.634 1.204 1.00 0.00 C ATOM 463 CD2 LEU B 11 1.135 2.041 3.658 1.00 0.00 C ATOM 0 H LEU B 11 2.454 6.113 1.351 1.00 0.00 H new ATOM 0 HA LEU B 11 1.964 3.536 0.086 1.00 0.00 H new ATOM 0 HB2 LEU B 11 2.379 4.005 2.569 1.00 0.00 H new ATOM 0 HB3 LEU B 11 0.780 4.718 2.637 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.309 2.660 2.167 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.868 0.648 1.333 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.065 2.019 0.215 1.00 0.00 H new ATOM 0 HD13 LEU B 11 2.398 1.557 1.300 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.702 1.049 3.783 1.00 0.00 H new ATOM 0 HD22 LEU B 11 2.219 1.978 3.752 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.743 2.708 4.426 1.00 0.00 H new ATOM 475 N VAL B 12 -0.512 5.709 0.349 1.00 0.00 N ATOM 476 CA VAL B 12 -1.871 5.968 -0.209 1.00 0.00 C ATOM 477 C VAL B 12 -1.735 6.282 -1.698 1.00 0.00 C ATOM 478 O VAL B 12 -2.413 5.711 -2.529 1.00 0.00 O ATOM 479 CB VAL B 12 -2.536 7.139 0.535 1.00 0.00 C ATOM 480 CG1 VAL B 12 -2.027 7.171 1.973 1.00 0.00 C ATOM 481 CG2 VAL B 12 -2.205 8.476 -0.140 1.00 0.00 C ATOM 0 H VAL B 12 -0.132 6.445 0.944 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.501 5.088 -0.079 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.616 6.994 0.514 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.494 7.999 2.506 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.277 6.233 2.468 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.945 7.304 1.973 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.687 9.288 0.405 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.126 8.628 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.567 8.464 -1.168 1.00 0.00 H new ATOM 491 N GLU B 13 -0.850 7.176 -2.042 1.00 0.00 N ATOM 492 CA GLU B 13 -0.662 7.509 -3.476 1.00 0.00 C ATOM 493 C GLU B 13 -0.571 6.200 -4.261 1.00 0.00 C ATOM 494 O GLU B 13 -0.914 6.131 -5.425 1.00 0.00 O ATOM 495 CB GLU B 13 0.622 8.333 -3.644 1.00 0.00 C ATOM 496 CG GLU B 13 1.843 7.411 -3.688 1.00 0.00 C ATOM 497 CD GLU B 13 2.059 6.918 -5.120 1.00 0.00 C ATOM 498 OE1 GLU B 13 2.137 7.752 -6.006 1.00 0.00 O ATOM 499 OE2 GLU B 13 2.144 5.715 -5.306 1.00 0.00 O ATOM 0 H GLU B 13 -0.252 7.687 -1.393 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.498 8.100 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.568 8.920 -4.561 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.720 9.038 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.727 7.944 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.696 6.563 -3.019 1.00 0.00 H new ATOM 506 N ALA B 14 -0.130 5.151 -3.614 1.00 0.00 N ATOM 507 CA ALA B 14 -0.038 3.835 -4.297 1.00 0.00 C ATOM 508 C ALA B 14 -1.364 3.105 -4.096 1.00 0.00 C ATOM 509 O ALA B 14 -1.997 2.673 -5.038 1.00 0.00 O ATOM 510 CB ALA B 14 1.103 3.017 -3.689 1.00 0.00 C ATOM 0 H ALA B 14 0.170 5.154 -2.639 1.00 0.00 H new ATOM 0 HA ALA B 14 0.160 3.971 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.168 2.052 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.043 3.555 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.913 2.860 -2.627 1.00 0.00 H new ATOM 516 N LEU B 15 -1.802 2.982 -2.871 1.00 0.00 N ATOM 517 CA LEU B 15 -3.095 2.305 -2.609 1.00 0.00 C ATOM 518 C LEU B 15 -4.180 2.976 -3.449 1.00 0.00 C ATOM 519 O LEU B 15 -5.021 2.324 -4.035 1.00 0.00 O ATOM 520 CB LEU B 15 -3.427 2.437 -1.123 1.00 0.00 C ATOM 521 CG LEU B 15 -2.477 1.542 -0.303 1.00 0.00 C ATOM 522 CD1 LEU B 15 -3.049 1.334 1.091 1.00 0.00 C ATOM 523 CD2 LEU B 15 -2.284 0.171 -0.980 1.00 0.00 C ATOM 0 H LEU B 15 -1.315 3.324 -2.042 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.035 1.249 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.328 3.476 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.462 2.147 -0.944 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.509 2.039 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.376 0.701 1.670 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.157 2.298 1.588 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.024 0.853 1.016 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.609 -0.439 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.248 -0.331 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.858 0.312 -1.973 1.00 0.00 H new ATOM 535 N TYR B 16 -4.160 4.277 -3.524 1.00 0.00 N ATOM 536 CA TYR B 16 -5.182 4.981 -4.342 1.00 0.00 C ATOM 537 C TYR B 16 -4.944 4.655 -5.819 1.00 0.00 C ATOM 538 O TYR B 16 -5.870 4.484 -6.585 1.00 0.00 O ATOM 539 CB TYR B 16 -5.059 6.492 -4.128 1.00 0.00 C ATOM 540 CG TYR B 16 -6.239 6.988 -3.326 1.00 0.00 C ATOM 541 CD1 TYR B 16 -7.541 6.799 -3.807 1.00 0.00 C ATOM 542 CD2 TYR B 16 -6.031 7.642 -2.104 1.00 0.00 C ATOM 543 CE1 TYR B 16 -8.636 7.261 -3.065 1.00 0.00 C ATOM 544 CE2 TYR B 16 -7.127 8.104 -1.361 1.00 0.00 C ATOM 545 CZ TYR B 16 -8.429 7.915 -1.842 1.00 0.00 C ATOM 546 OH TYR B 16 -9.509 8.370 -1.112 1.00 0.00 O ATOM 0 H TYR B 16 -3.483 4.880 -3.056 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.179 4.657 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.130 6.721 -3.606 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.019 7.004 -5.090 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -7.701 6.297 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.027 7.790 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -9.640 7.113 -3.435 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.967 8.606 -0.418 1.00 0.00 H new ATOM 0 HH TYR B 16 -9.191 8.799 -0.290 1.00 0.00 H new ATOM 556 N LEU B 17 -3.704 4.570 -6.224 1.00 0.00 N ATOM 557 CA LEU B 17 -3.404 4.262 -7.652 1.00 0.00 C ATOM 558 C LEU B 17 -3.594 2.770 -7.920 1.00 0.00 C ATOM 559 O LEU B 17 -4.230 2.379 -8.878 1.00 0.00 O ATOM 560 CB LEU B 17 -1.960 4.662 -7.970 1.00 0.00 C ATOM 561 CG LEU B 17 -1.576 4.135 -9.355 1.00 0.00 C ATOM 562 CD1 LEU B 17 -2.629 4.572 -10.377 1.00 0.00 C ATOM 563 CD2 LEU B 17 -0.213 4.704 -9.755 1.00 0.00 C ATOM 0 H LEU B 17 -2.887 4.701 -5.627 1.00 0.00 H new ATOM 0 HA LEU B 17 -4.087 4.825 -8.288 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.857 5.747 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -1.285 4.258 -7.216 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.524 3.047 -9.329 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.356 4.197 -11.363 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -3.601 4.170 -10.092 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.680 5.660 -10.404 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.062 4.330 -10.741 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -0.267 5.792 -9.782 1.00 0.00 H new ATOM 0 HD23 LEU B 17 0.538 4.396 -9.027 1.00 0.00 H new ATOM 575 N VAL B 18 -3.052 1.934 -7.083 1.00 0.00 N ATOM 576 CA VAL B 18 -3.209 0.466 -7.300 1.00 0.00 C ATOM 577 C VAL B 18 -4.682 0.159 -7.493 1.00 0.00 C ATOM 578 O VAL B 18 -5.051 -0.795 -8.147 1.00 0.00 O ATOM 579 CB VAL B 18 -2.670 -0.317 -6.101 1.00 0.00 C ATOM 580 CG1 VAL B 18 -1.304 0.220 -5.735 1.00 0.00 C ATOM 581 CG2 VAL B 18 -3.592 -0.163 -4.894 1.00 0.00 C ATOM 0 H VAL B 18 -2.509 2.199 -6.261 1.00 0.00 H new ATOM 0 HA VAL B 18 -2.643 0.169 -8.183 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.612 -1.371 -6.372 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -0.913 -0.333 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -0.629 0.104 -6.583 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.385 1.276 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -3.189 -0.728 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -3.663 0.890 -4.622 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -4.584 -0.541 -5.143 1.00 0.00 H new ATOM 591 N CYS B 19 -5.529 0.965 -6.930 1.00 0.00 N ATOM 592 CA CYS B 19 -6.979 0.719 -7.087 1.00 0.00 C ATOM 593 C CYS B 19 -7.714 2.035 -7.357 1.00 0.00 C ATOM 594 O CYS B 19 -8.180 2.280 -8.451 1.00 0.00 O ATOM 595 CB CYS B 19 -7.513 0.077 -5.815 1.00 0.00 C ATOM 596 SG CYS B 19 -6.953 -1.641 -5.746 1.00 0.00 S ATOM 0 H CYS B 19 -5.280 1.780 -6.370 1.00 0.00 H new ATOM 0 HA CYS B 19 -7.144 0.052 -7.933 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.161 0.624 -4.940 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.602 0.119 -5.800 1.00 0.00 H new ATOM 601 N GLY B 20 -7.824 2.886 -6.371 1.00 0.00 N ATOM 602 CA GLY B 20 -8.532 4.181 -6.587 1.00 0.00 C ATOM 603 C GLY B 20 -9.772 4.258 -5.692 1.00 0.00 C ATOM 604 O GLY B 20 -9.679 4.257 -4.480 1.00 0.00 O ATOM 0 H GLY B 20 -7.456 2.741 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -7.862 5.012 -6.366 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -8.823 4.276 -7.633 1.00 0.00 H new ATOM 608 N GLU B 21 -10.934 4.340 -6.282 1.00 0.00 N ATOM 609 CA GLU B 21 -12.184 4.436 -5.475 1.00 0.00 C ATOM 610 C GLU B 21 -12.462 3.109 -4.763 1.00 0.00 C ATOM 611 O GLU B 21 -13.398 2.995 -3.996 1.00 0.00 O ATOM 612 CB GLU B 21 -13.356 4.766 -6.401 1.00 0.00 C ATOM 613 CG GLU B 21 -14.350 5.670 -5.669 1.00 0.00 C ATOM 614 CD GLU B 21 -15.579 5.897 -6.553 1.00 0.00 C ATOM 615 OE1 GLU B 21 -15.397 6.139 -7.735 1.00 0.00 O ATOM 616 OE2 GLU B 21 -16.680 5.825 -6.033 1.00 0.00 O ATOM 0 H GLU B 21 -11.072 4.345 -7.293 1.00 0.00 H new ATOM 0 HA GLU B 21 -12.064 5.220 -4.728 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -12.993 5.262 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -13.850 3.848 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -14.647 5.213 -4.725 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -13.881 6.624 -5.428 1.00 0.00 H new ATOM 623 N ARG B 22 -11.669 2.102 -5.006 1.00 0.00 N ATOM 624 CA ARG B 22 -11.914 0.796 -4.333 1.00 0.00 C ATOM 625 C ARG B 22 -11.564 0.913 -2.849 1.00 0.00 C ATOM 626 O ARG B 22 -11.783 0.001 -2.077 1.00 0.00 O ATOM 627 CB ARG B 22 -11.055 -0.289 -4.984 1.00 0.00 C ATOM 628 CG ARG B 22 -11.965 -1.381 -5.554 1.00 0.00 C ATOM 629 CD ARG B 22 -11.684 -2.710 -4.849 1.00 0.00 C ATOM 630 NE ARG B 22 -10.691 -3.490 -5.638 1.00 0.00 N ATOM 631 CZ ARG B 22 -11.081 -4.513 -6.346 1.00 0.00 C ATOM 632 NH1 ARG B 22 -11.424 -5.625 -5.755 1.00 0.00 N ATOM 633 NH2 ARG B 22 -11.131 -4.424 -7.648 1.00 0.00 N ATOM 0 H ARG B 22 -10.868 2.126 -5.637 1.00 0.00 H new ATOM 0 HA ARG B 22 -12.965 0.528 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -10.444 0.142 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -10.371 -0.716 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -13.010 -1.102 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.797 -1.485 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -11.303 -2.527 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -12.607 -3.279 -4.742 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.706 -3.224 -5.625 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -11.387 -5.694 -4.738 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.729 -6.425 -6.310 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.865 -3.555 -8.110 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.436 -5.224 -8.203 1.00 0.00 H new ATOM 647 N GLY B 23 -11.028 2.032 -2.441 1.00 0.00 N ATOM 648 CA GLY B 23 -10.673 2.208 -1.005 1.00 0.00 C ATOM 649 C GLY B 23 -9.542 1.250 -0.633 1.00 0.00 C ATOM 650 O GLY B 23 -9.416 0.176 -1.186 1.00 0.00 O ATOM 0 H GLY B 23 -10.821 2.831 -3.040 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.366 3.237 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.545 2.018 -0.379 1.00 0.00 H new ATOM 654 N PHE B 24 -8.716 1.631 0.303 1.00 0.00 N ATOM 655 CA PHE B 24 -7.595 0.741 0.711 1.00 0.00 C ATOM 656 C PHE B 24 -7.651 0.509 2.224 1.00 0.00 C ATOM 657 O PHE B 24 -8.145 1.330 2.970 1.00 0.00 O ATOM 658 CB PHE B 24 -6.261 1.392 0.341 1.00 0.00 C ATOM 659 CG PHE B 24 -6.376 2.897 0.434 1.00 0.00 C ATOM 660 CD1 PHE B 24 -7.042 3.615 -0.570 1.00 0.00 C ATOM 661 CD2 PHE B 24 -5.810 3.577 1.521 1.00 0.00 C ATOM 662 CE1 PHE B 24 -7.142 5.011 -0.485 1.00 0.00 C ATOM 663 CE2 PHE B 24 -5.909 4.973 1.604 1.00 0.00 C ATOM 664 CZ PHE B 24 -6.575 5.690 0.602 1.00 0.00 C ATOM 0 H PHE B 24 -8.770 2.519 0.802 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.685 -0.214 0.194 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.476 1.037 1.009 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.974 1.103 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.478 3.093 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.297 3.025 2.295 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.656 5.563 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -5.471 5.496 2.441 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.652 6.765 0.667 1.00 0.00 H new ATOM 674 N PHE B 25 -7.151 -0.608 2.679 1.00 0.00 N ATOM 675 CA PHE B 25 -7.178 -0.900 4.142 1.00 0.00 C ATOM 676 C PHE B 25 -5.922 -0.330 4.809 1.00 0.00 C ATOM 677 O PHE B 25 -5.002 -1.052 5.138 1.00 0.00 O ATOM 678 CB PHE B 25 -7.221 -2.415 4.353 1.00 0.00 C ATOM 679 CG PHE B 25 -8.289 -2.757 5.365 1.00 0.00 C ATOM 680 CD1 PHE B 25 -9.620 -2.915 4.953 1.00 0.00 C ATOM 681 CD2 PHE B 25 -7.950 -2.920 6.715 1.00 0.00 C ATOM 682 CE1 PHE B 25 -10.610 -3.235 5.891 1.00 0.00 C ATOM 683 CE2 PHE B 25 -8.942 -3.240 7.653 1.00 0.00 C ATOM 684 CZ PHE B 25 -10.271 -3.397 7.241 1.00 0.00 C ATOM 0 H PHE B 25 -6.725 -1.332 2.101 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.061 -0.440 4.586 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.427 -2.918 3.408 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.251 -2.772 4.699 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.882 -2.790 3.913 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.925 -2.799 7.033 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.635 -3.357 5.574 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.681 -3.365 8.693 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.035 -3.643 7.964 1.00 0.00 H new ATOM 694 N TYR B 26 -5.878 0.959 5.015 1.00 0.00 N ATOM 695 CA TYR B 26 -4.683 1.570 5.665 1.00 0.00 C ATOM 696 C TYR B 26 -4.845 1.509 7.186 1.00 0.00 C ATOM 697 O TYR B 26 -5.543 2.307 7.779 1.00 0.00 O ATOM 698 CB TYR B 26 -4.551 3.029 5.222 1.00 0.00 C ATOM 699 CG TYR B 26 -3.554 3.743 6.102 1.00 0.00 C ATOM 700 CD1 TYR B 26 -2.211 3.343 6.107 1.00 0.00 C ATOM 701 CD2 TYR B 26 -3.971 4.808 6.912 1.00 0.00 C ATOM 702 CE1 TYR B 26 -1.286 4.007 6.922 1.00 0.00 C ATOM 703 CE2 TYR B 26 -3.045 5.472 7.727 1.00 0.00 C ATOM 704 CZ TYR B 26 -1.702 5.071 7.732 1.00 0.00 C ATOM 705 OH TYR B 26 -0.790 5.725 8.534 1.00 0.00 O ATOM 0 H TYR B 26 -6.617 1.615 4.762 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.788 1.021 5.373 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.230 3.075 4.181 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.520 3.525 5.278 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -1.889 2.523 5.482 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.006 5.117 6.908 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -0.251 3.698 6.926 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.366 6.293 8.351 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.174 6.572 8.842 1.00 0.00 H new ATOM 715 N THR B 27 -4.203 0.568 7.822 1.00 0.00 N ATOM 716 CA THR B 27 -4.319 0.454 9.306 1.00 0.00 C ATOM 717 C THR B 27 -2.952 0.724 9.941 1.00 0.00 C ATOM 718 O THR B 27 -1.927 0.343 9.412 1.00 0.00 O ATOM 719 CB THR B 27 -4.799 -0.957 9.692 1.00 0.00 C ATOM 720 OG1 THR B 27 -4.011 -1.448 10.769 1.00 0.00 O ATOM 721 CG2 THR B 27 -4.672 -1.909 8.496 1.00 0.00 C ATOM 0 H THR B 27 -3.603 -0.128 7.379 1.00 0.00 H new ATOM 0 HA THR B 27 -5.043 1.184 9.667 1.00 0.00 H new ATOM 0 HB THR B 27 -5.845 -0.902 9.993 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.788 -2.389 10.609 1.00 0.00 H new ATOM 0 HG21 THR B 27 -5.015 -2.903 8.784 1.00 0.00 H new ATOM 0 HG22 THR B 27 -5.281 -1.540 7.671 1.00 0.00 H new ATOM 0 HG23 THR B 27 -3.630 -1.962 8.182 1.00 0.00 H new ATOM 729 N LYS B 28 -2.926 1.385 11.067 1.00 0.00 N ATOM 730 CA LYS B 28 -1.618 1.678 11.722 1.00 0.00 C ATOM 731 C LYS B 28 -1.301 0.624 12.778 1.00 0.00 C ATOM 732 O LYS B 28 -0.260 0.000 12.730 1.00 0.00 O ATOM 733 CB LYS B 28 -1.659 3.043 12.411 1.00 0.00 C ATOM 734 CG LYS B 28 -0.493 3.903 11.899 1.00 0.00 C ATOM 735 CD LYS B 28 -0.860 5.399 11.877 1.00 0.00 C ATOM 736 CE LYS B 28 -1.769 5.738 13.063 1.00 0.00 C ATOM 737 NZ LYS B 28 -2.012 7.207 13.098 1.00 0.00 N ATOM 0 H LYS B 28 -3.749 1.733 11.559 1.00 0.00 H new ATOM 0 HA LYS B 28 -0.852 1.673 10.947 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -2.608 3.538 12.207 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -1.589 2.920 13.492 1.00 0.00 H new ATOM 0 HG2 LYS B 28 0.379 3.751 12.535 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -0.216 3.581 10.895 1.00 0.00 H new ATOM 0 HD2 LYS B 28 0.046 6.004 11.919 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -1.364 5.644 10.942 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.715 5.204 12.974 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.306 5.413 13.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -2.629 7.438 13.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -1.106 7.706 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -2.471 7.504 12.213 1.00 0.00 H new ATOM 751 N PRO B 29 -2.186 0.486 13.732 1.00 0.00 N ATOM 752 CA PRO B 29 -1.990 -0.452 14.841 1.00 0.00 C ATOM 753 C PRO B 29 -2.430 -1.863 14.435 1.00 0.00 C ATOM 754 O PRO B 29 -3.546 -2.271 14.689 1.00 0.00 O ATOM 755 CB PRO B 29 -2.902 0.114 15.926 1.00 0.00 C ATOM 756 CG PRO B 29 -3.997 0.932 15.205 1.00 0.00 C ATOM 757 CD PRO B 29 -3.459 1.240 13.801 1.00 0.00 C ATOM 0 HA PRO B 29 -0.951 -0.544 15.158 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -3.344 -0.688 16.517 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -2.339 0.744 16.615 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -4.928 0.368 15.148 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -4.214 1.852 15.748 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.156 0.918 13.027 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.298 2.309 13.661 1.00 0.00 H new ATOM 765 N THR B 30 -1.561 -2.609 13.806 1.00 0.00 N ATOM 766 CA THR B 30 -1.928 -3.991 13.383 1.00 0.00 C ATOM 767 C THR B 30 -3.338 -3.987 12.789 1.00 0.00 C ATOM 768 O THR B 30 -3.473 -3.610 11.636 1.00 0.00 O ATOM 769 CB THR B 30 -1.886 -4.924 14.596 1.00 0.00 C ATOM 770 OG1 THR B 30 -2.178 -4.183 15.772 1.00 0.00 O ATOM 771 CG2 THR B 30 -0.494 -5.547 14.714 1.00 0.00 C ATOM 772 OXT THR B 30 -4.260 -4.358 13.498 1.00 0.00 O ATOM 0 H THR B 30 -0.612 -2.320 13.567 1.00 0.00 H new ATOM 0 HA THR B 30 -1.220 -4.341 12.632 1.00 0.00 H new ATOM 0 HB THR B 30 -2.626 -5.715 14.473 1.00 0.00 H new ATOM 0 HG1 THR B 30 -3.007 -3.677 15.642 1.00 0.00 H new ATOM 0 HG21 THR B 30 -0.465 -6.211 15.578 1.00 0.00 H new ATOM 0 HG22 THR B 30 -0.272 -6.116 13.811 1.00 0.00 H new ATOM 0 HG23 THR B 30 0.248 -4.758 14.837 1.00 0.00 H new TER 780 THR B 30