USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= -0.0389 X(o=-0.24,f=0.14) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.2 K(o=-0.24,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 19 TYR OH : rot -159:sc= 0.164 USER MOD Single : A 21 ASN : amide:sc= -2.11! C(o=-2.1!,f=-1.3!) USER MOD Single : B 1 PHE N :NH3+ -124:sc= -0.339 (180deg=-3.2!) USER MOD Single : B 3 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.7!) USER MOD Single : B 4 GLN : amide:sc= -0.4 K(o=-0.4,f=-2.5!) USER MOD Single : B 5 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-3.5!) 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 22:sc= 0.576 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.275 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.363 3.445 3.949 1.00 0.00 N ATOM 2 CA GLY A 1 -4.880 3.073 3.951 1.00 0.00 C ATOM 3 C GLY A 1 -4.415 1.912 3.141 1.00 0.00 C ATOM 4 O GLY A 1 -3.767 1.013 3.640 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.514 4.272 4.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.663 3.673 2.979 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.922 2.644 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.323 3.948 3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.591 2.887 4.985 1.00 0.00 H new ATOM 10 N LEU A 2 -4.730 1.895 1.875 1.00 0.00 N ATOM 11 CA LEU A 2 -4.296 0.760 1.012 1.00 0.00 C ATOM 12 C LEU A 2 -3.689 1.307 -0.282 1.00 0.00 C ATOM 13 O LEU A 2 -2.599 0.941 -0.673 1.00 0.00 O ATOM 14 CB LEU A 2 -5.504 -0.118 0.681 1.00 0.00 C ATOM 15 CG LEU A 2 -5.075 -1.238 -0.268 1.00 0.00 C ATOM 16 CD1 LEU A 2 -4.173 -2.222 0.479 1.00 0.00 C ATOM 17 CD2 LEU A 2 -6.314 -1.973 -0.782 1.00 0.00 C ATOM 0 H LEU A 2 -5.270 2.619 1.400 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.550 0.166 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.921 -0.541 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.289 0.483 0.221 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.529 -0.812 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.867 -3.020 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.290 -1.699 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.718 -2.649 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.009 -2.771 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.860 -2.399 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.958 -1.273 -1.314 1.00 0.00 H new ATOM 29 N LEU A 3 -4.389 2.183 -0.949 1.00 0.00 N ATOM 30 CA LEU A 3 -3.861 2.758 -2.217 1.00 0.00 C ATOM 31 C LEU A 3 -3.489 4.215 -1.973 1.00 0.00 C ATOM 32 O LEU A 3 -2.616 4.766 -2.614 1.00 0.00 O ATOM 33 CB LEU A 3 -4.927 2.693 -3.322 1.00 0.00 C ATOM 34 CG LEU A 3 -5.967 1.607 -3.020 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.353 2.105 -3.431 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.630 0.344 -3.813 1.00 0.00 C ATOM 0 H LEU A 3 -5.308 2.526 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.989 2.186 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.422 3.660 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.450 2.488 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.958 1.382 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.094 1.335 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.596 3.008 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.358 2.328 -4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.369 -0.428 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.640 0.570 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.640 -0.012 -3.527 1.00 0.00 H new ATOM 48 N GLU A 4 -4.154 4.840 -1.048 1.00 0.00 N ATOM 49 CA GLU A 4 -3.857 6.269 -0.744 1.00 0.00 C ATOM 50 C GLU A 4 -2.476 6.378 -0.092 1.00 0.00 C ATOM 51 O GLU A 4 -1.776 7.356 -0.262 1.00 0.00 O ATOM 52 CB GLU A 4 -4.918 6.819 0.212 1.00 0.00 C ATOM 53 CG GLU A 4 -4.980 8.343 0.085 1.00 0.00 C ATOM 54 CD GLU A 4 -6.301 8.850 0.666 1.00 0.00 C ATOM 55 OE1 GLU A 4 -6.881 8.143 1.473 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.710 9.938 0.293 1.00 0.00 O ATOM 0 H GLU A 4 -4.895 4.423 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.867 6.846 -1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.891 6.385 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.679 6.538 1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.141 8.797 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.895 8.635 -0.962 1.00 0.00 H new ATOM 63 N GLN A 5 -2.080 5.381 0.651 1.00 0.00 N ATOM 64 CA GLN A 5 -0.745 5.429 1.313 1.00 0.00 C ATOM 65 C GLN A 5 0.329 4.968 0.327 1.00 0.00 C ATOM 66 O GLN A 5 1.498 5.262 0.482 1.00 0.00 O ATOM 67 CB GLN A 5 -0.745 4.506 2.533 1.00 0.00 C ATOM 68 CG GLN A 5 0.016 5.175 3.680 1.00 0.00 C ATOM 69 CD GLN A 5 0.600 4.101 4.599 1.00 0.00 C ATOM 70 OE1 GLN A 5 1.304 3.218 4.151 1.00 0.00 O ATOM 71 NE2 GLN A 5 0.335 4.139 5.876 1.00 0.00 N ATOM 0 H GLN A 5 -2.623 4.536 0.828 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.535 6.450 1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.769 4.290 2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.280 3.553 2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.814 5.803 3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.652 5.826 4.243 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.256 4.880 6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.719 3.427 6.498 1.00 0.00 H new ATOM 80 N CYS A 6 -0.061 4.247 -0.683 1.00 0.00 N ATOM 81 CA CYS A 6 0.933 3.762 -1.682 1.00 0.00 C ATOM 82 C CYS A 6 0.805 4.582 -2.969 1.00 0.00 C ATOM 83 O CYS A 6 1.702 4.616 -3.787 1.00 0.00 O ATOM 84 CB CYS A 6 0.669 2.286 -1.983 1.00 0.00 C ATOM 85 SG CYS A 6 0.312 1.414 -0.437 1.00 0.00 S ATOM 0 H CYS A 6 -1.026 3.971 -0.862 1.00 0.00 H new ATOM 0 HA CYS A 6 1.940 3.876 -1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.170 2.188 -2.671 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.536 1.842 -2.472 1.00 0.00 H new ATOM 90 N CYS A 7 -0.304 5.247 -3.151 1.00 0.00 N ATOM 91 CA CYS A 7 -0.491 6.069 -4.379 1.00 0.00 C ATOM 92 C CYS A 7 -0.326 7.546 -4.023 1.00 0.00 C ATOM 93 O CYS A 7 0.508 8.238 -4.570 1.00 0.00 O ATOM 94 CB CYS A 7 -1.892 5.831 -4.946 1.00 0.00 C ATOM 95 SG CYS A 7 -2.067 6.717 -6.514 1.00 0.00 S ATOM 0 H CYS A 7 -1.089 5.256 -2.500 1.00 0.00 H new ATOM 0 HA CYS A 7 0.251 5.787 -5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.058 4.765 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.646 6.173 -4.237 1.00 0.00 H new ATOM 100 N HIS A 8 -1.113 8.033 -3.104 1.00 0.00 N ATOM 101 CA HIS A 8 -0.997 9.463 -2.707 1.00 0.00 C ATOM 102 C HIS A 8 0.337 9.680 -1.990 1.00 0.00 C ATOM 103 O HIS A 8 0.757 10.797 -1.763 1.00 0.00 O ATOM 104 CB HIS A 8 -2.148 9.827 -1.767 1.00 0.00 C ATOM 105 CG HIS A 8 -2.414 11.305 -1.850 1.00 0.00 C ATOM 106 ND1 HIS A 8 -3.280 11.828 -2.788 1.00 0.00 N ATOM 107 CD2 HIS A 8 -1.925 12.350 -1.117 1.00 0.00 C ATOM 108 CE1 HIS A 8 -3.293 13.155 -2.600 1.00 0.00 C ATOM 109 NE2 HIS A 8 -2.479 13.522 -1.589 1.00 0.00 N ATOM 0 H HIS A 8 -1.831 7.502 -2.611 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.042 10.094 -3.594 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.044 9.269 -2.039 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.898 9.548 -0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.221 12.271 -0.302 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.882 13.845 -3.186 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.309 14.467 -1.246 1.00 0.00 H new ATOM 117 N SER A 9 1.006 8.618 -1.633 1.00 0.00 N ATOM 118 CA SER A 9 2.313 8.759 -0.932 1.00 0.00 C ATOM 119 C SER A 9 3.215 7.577 -1.295 1.00 0.00 C ATOM 120 O SER A 9 3.089 6.988 -2.350 1.00 0.00 O ATOM 121 CB SER A 9 2.083 8.780 0.579 1.00 0.00 C ATOM 122 OG SER A 9 2.883 9.800 1.162 1.00 0.00 O ATOM 0 H SER A 9 0.703 7.658 -1.797 1.00 0.00 H new ATOM 0 HA SER A 9 2.791 9.689 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.030 8.959 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.337 7.812 1.011 1.00 0.00 H new ATOM 0 HG SER A 9 2.736 9.817 2.131 1.00 0.00 H new ATOM 128 N ILE A 10 4.122 7.223 -0.426 1.00 0.00 N ATOM 129 CA ILE A 10 5.030 6.080 -0.721 1.00 0.00 C ATOM 130 C ILE A 10 4.733 4.934 0.250 1.00 0.00 C ATOM 131 O ILE A 10 4.561 5.140 1.436 1.00 0.00 O ATOM 132 CB ILE A 10 6.487 6.533 -0.565 1.00 0.00 C ATOM 133 CG1 ILE A 10 6.909 7.316 -1.810 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.401 5.315 -0.400 1.00 0.00 C ATOM 135 CD1 ILE A 10 6.331 8.730 -1.745 1.00 0.00 C ATOM 0 H ILE A 10 4.273 7.676 0.475 1.00 0.00 H new ATOM 0 HA ILE A 10 4.870 5.736 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 10 6.572 7.166 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.996 7.359 -1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.557 6.809 -2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.433 5.647 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.104 4.754 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.317 4.676 -1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.632 9.287 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.243 8.677 -1.702 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.705 9.235 -0.855 1.00 0.00 H new ATOM 147 N CYS A 11 4.675 3.727 -0.242 1.00 0.00 N ATOM 148 CA CYS A 11 4.394 2.569 0.651 1.00 0.00 C ATOM 149 C CYS A 11 5.666 1.730 0.804 1.00 0.00 C ATOM 150 O CYS A 11 6.735 2.127 0.386 1.00 0.00 O ATOM 151 CB CYS A 11 3.285 1.709 0.042 1.00 0.00 C ATOM 152 SG CYS A 11 1.712 2.094 0.850 1.00 0.00 S ATOM 0 H CYS A 11 4.810 3.493 -1.226 1.00 0.00 H new ATOM 0 HA CYS A 11 4.074 2.931 1.628 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.211 1.896 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.520 0.652 0.165 1.00 0.00 H new ATOM 157 N SER A 12 5.559 0.574 1.398 1.00 0.00 N ATOM 158 CA SER A 12 6.764 -0.284 1.575 1.00 0.00 C ATOM 159 C SER A 12 6.361 -1.756 1.473 1.00 0.00 C ATOM 160 O SER A 12 5.440 -2.204 2.125 1.00 0.00 O ATOM 161 CB SER A 12 7.381 -0.019 2.949 1.00 0.00 C ATOM 162 OG SER A 12 6.393 0.535 3.807 1.00 0.00 O ATOM 0 H SER A 12 4.691 0.187 1.768 1.00 0.00 H new ATOM 0 HA SER A 12 7.493 -0.052 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.768 -0.946 3.372 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.224 0.666 2.856 1.00 0.00 H new ATOM 0 HG SER A 12 6.784 0.705 4.689 1.00 0.00 H new ATOM 168 N LEU A 13 7.047 -2.513 0.661 1.00 0.00 N ATOM 169 CA LEU A 13 6.707 -3.953 0.520 1.00 0.00 C ATOM 170 C LEU A 13 6.475 -4.558 1.905 1.00 0.00 C ATOM 171 O LEU A 13 5.744 -5.516 2.059 1.00 0.00 O ATOM 172 CB LEU A 13 7.855 -4.691 -0.178 1.00 0.00 C ATOM 173 CG LEU A 13 9.180 -3.958 0.051 1.00 0.00 C ATOM 174 CD1 LEU A 13 10.306 -4.976 0.234 1.00 0.00 C ATOM 175 CD2 LEU A 13 9.486 -3.076 -1.163 1.00 0.00 C ATOM 0 H LEU A 13 7.829 -2.194 0.089 1.00 0.00 H new ATOM 0 HA LEU A 13 5.801 -4.054 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.925 -5.710 0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.652 -4.764 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 13 9.103 -3.340 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.248 -4.452 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.089 -5.608 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.385 -5.595 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.429 -2.552 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.563 -3.698 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.685 -2.349 -1.296 1.00 0.00 H new ATOM 187 N TYR A 14 7.086 -4.004 2.915 1.00 0.00 N ATOM 188 CA TYR A 14 6.893 -4.547 4.288 1.00 0.00 C ATOM 189 C TYR A 14 5.446 -4.331 4.715 1.00 0.00 C ATOM 190 O TYR A 14 4.696 -5.266 4.920 1.00 0.00 O ATOM 191 CB TYR A 14 7.829 -3.823 5.259 1.00 0.00 C ATOM 192 CG TYR A 14 7.489 -4.218 6.676 1.00 0.00 C ATOM 193 CD1 TYR A 14 7.608 -5.555 7.078 1.00 0.00 C ATOM 194 CD2 TYR A 14 7.055 -3.248 7.588 1.00 0.00 C ATOM 195 CE1 TYR A 14 7.294 -5.921 8.394 1.00 0.00 C ATOM 196 CE2 TYR A 14 6.740 -3.613 8.903 1.00 0.00 C ATOM 197 CZ TYR A 14 6.859 -4.951 9.307 1.00 0.00 C ATOM 198 OH TYR A 14 6.550 -5.312 10.602 1.00 0.00 O ATOM 0 H TYR A 14 7.710 -3.200 2.849 1.00 0.00 H new ATOM 0 HA TYR A 14 7.120 -5.613 4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.866 -4.077 5.038 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.732 -2.744 5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.942 -6.303 6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.963 -2.218 7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.387 -6.951 8.705 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.406 -2.864 9.606 1.00 0.00 H new ATOM 0 HH TYR A 14 6.266 -4.519 11.104 1.00 0.00 H new ATOM 208 N GLN A 15 5.050 -3.102 4.841 1.00 0.00 N ATOM 209 CA GLN A 15 3.649 -2.804 5.249 1.00 0.00 C ATOM 210 C GLN A 15 2.722 -3.022 4.054 1.00 0.00 C ATOM 211 O GLN A 15 1.520 -3.124 4.195 1.00 0.00 O ATOM 212 CB GLN A 15 3.548 -1.349 5.715 1.00 0.00 C ATOM 213 CG GLN A 15 2.693 -1.276 6.980 1.00 0.00 C ATOM 214 CD GLN A 15 2.006 0.090 7.054 1.00 0.00 C ATOM 215 OE1 GLN A 15 2.071 0.866 6.122 1.00 0.00 O ATOM 216 NE2 GLN A 15 1.344 0.416 8.130 1.00 0.00 N ATOM 0 H GLN A 15 5.637 -2.284 4.679 1.00 0.00 H new ATOM 0 HA GLN A 15 3.358 -3.464 6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.543 -0.949 5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.108 -0.734 4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.947 -2.070 6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.315 -1.430 7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.290 -0.236 8.913 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.881 1.323 8.189 1.00 0.00 H new ATOM 225 N LEU A 16 3.277 -3.103 2.876 1.00 0.00 N ATOM 226 CA LEU A 16 2.436 -3.323 1.671 1.00 0.00 C ATOM 227 C LEU A 16 2.037 -4.793 1.615 1.00 0.00 C ATOM 228 O LEU A 16 1.012 -5.152 1.069 1.00 0.00 O ATOM 229 CB LEU A 16 3.239 -2.964 0.420 1.00 0.00 C ATOM 230 CG LEU A 16 2.302 -2.901 -0.787 1.00 0.00 C ATOM 231 CD1 LEU A 16 2.432 -1.536 -1.461 1.00 0.00 C ATOM 232 CD2 LEU A 16 2.682 -4.000 -1.779 1.00 0.00 C ATOM 0 H LEU A 16 4.278 -3.026 2.698 1.00 0.00 H new ATOM 0 HA LEU A 16 1.544 -2.698 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.737 -2.004 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.019 -3.706 0.250 1.00 0.00 H new ATOM 0 HG LEU A 16 1.272 -3.046 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.765 -1.490 -2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.164 -0.753 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.460 -1.390 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.016 -3.958 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.711 -3.853 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.590 -4.973 -1.297 1.00 0.00 H new ATOM 244 N GLU A 17 2.841 -5.646 2.184 1.00 0.00 N ATOM 245 CA GLU A 17 2.515 -7.095 2.175 1.00 0.00 C ATOM 246 C GLU A 17 1.288 -7.345 3.054 1.00 0.00 C ATOM 247 O GLU A 17 0.750 -8.433 3.091 1.00 0.00 O ATOM 248 CB GLU A 17 3.705 -7.889 2.718 1.00 0.00 C ATOM 249 CG GLU A 17 3.591 -9.349 2.276 1.00 0.00 C ATOM 250 CD GLU A 17 3.553 -10.255 3.508 1.00 0.00 C ATOM 251 OE1 GLU A 17 3.044 -9.815 4.526 1.00 0.00 O ATOM 252 OE2 GLU A 17 4.034 -11.372 3.413 1.00 0.00 O ATOM 0 H GLU A 17 3.711 -5.400 2.656 1.00 0.00 H new ATOM 0 HA GLU A 17 2.302 -7.415 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.638 -7.460 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.730 -7.829 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.689 -9.490 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.437 -9.615 1.642 1.00 0.00 H new ATOM 259 N ASN A 18 0.842 -6.343 3.765 1.00 0.00 N ATOM 260 CA ASN A 18 -0.349 -6.525 4.642 1.00 0.00 C ATOM 261 C ASN A 18 -1.597 -6.716 3.779 1.00 0.00 C ATOM 262 O ASN A 18 -2.626 -7.160 4.248 1.00 0.00 O ATOM 263 CB ASN A 18 -0.525 -5.289 5.528 1.00 0.00 C ATOM 264 CG ASN A 18 -0.366 -5.686 6.996 1.00 0.00 C ATOM 265 OD1 ASN A 18 0.664 -6.195 7.391 1.00 0.00 O ATOM 266 ND2 ASN A 18 -1.349 -5.473 7.827 1.00 0.00 N ATOM 0 H ASN A 18 1.251 -5.409 3.776 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.205 -7.405 5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.212 -4.531 5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.508 -4.848 5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.253 -5.734 8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.214 -5.046 7.495 1.00 0.00 H new ATOM 273 N TYR A 19 -1.516 -6.387 2.519 1.00 0.00 N ATOM 274 CA TYR A 19 -2.700 -6.553 1.630 1.00 0.00 C ATOM 275 C TYR A 19 -2.736 -7.986 1.095 1.00 0.00 C ATOM 276 O TYR A 19 -3.544 -8.324 0.252 1.00 0.00 O ATOM 277 CB TYR A 19 -2.603 -5.573 0.459 1.00 0.00 C ATOM 278 CG TYR A 19 -2.122 -4.232 0.961 1.00 0.00 C ATOM 279 CD1 TYR A 19 -2.504 -3.780 2.232 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.291 -3.441 0.157 1.00 0.00 C ATOM 281 CE1 TYR A 19 -2.055 -2.537 2.698 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.842 -2.198 0.622 1.00 0.00 C ATOM 283 CZ TYR A 19 -1.224 -1.746 1.892 1.00 0.00 C ATOM 284 OH TYR A 19 -0.782 -0.521 2.351 1.00 0.00 O ATOM 0 H TYR A 19 -0.682 -6.011 2.067 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.610 -6.352 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.917 -5.958 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.576 -5.466 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.144 -4.390 2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.996 -3.790 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.349 -2.189 3.677 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.202 -1.588 0.002 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.507 0.033 1.591 1.00 0.00 H new ATOM 294 N CYS A 20 -1.868 -8.833 1.578 1.00 0.00 N ATOM 295 CA CYS A 20 -1.853 -10.243 1.097 1.00 0.00 C ATOM 296 C CYS A 20 -2.465 -11.151 2.165 1.00 0.00 C ATOM 297 O CYS A 20 -2.138 -11.060 3.332 1.00 0.00 O ATOM 298 CB CYS A 20 -0.411 -10.673 0.826 1.00 0.00 C ATOM 299 SG CYS A 20 -0.366 -12.452 0.490 1.00 0.00 S ATOM 0 H CYS A 20 -1.168 -8.609 2.285 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.434 -10.321 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -0.009 -10.121 -0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.218 -10.438 1.685 1.00 0.00 H new ATOM 304 N ASN A 21 -3.352 -12.026 1.777 1.00 0.00 N ATOM 305 CA ASN A 21 -3.984 -12.937 2.762 1.00 0.00 C ATOM 306 C ASN A 21 -2.901 -13.631 3.593 1.00 0.00 C ATOM 307 O ASN A 21 -3.232 -14.152 4.645 1.00 0.00 O ATOM 308 CB ASN A 21 -4.814 -13.976 2.005 1.00 0.00 C ATOM 309 CG ASN A 21 -3.895 -15.044 1.407 1.00 0.00 C ATOM 310 OD1 ASN A 21 -3.122 -14.767 0.513 1.00 0.00 O ATOM 311 ND2 ASN A 21 -3.949 -16.264 1.868 1.00 0.00 N ATOM 312 OXT ASN A 21 -1.759 -13.629 3.161 1.00 0.00 O ATOM 0 H ASN A 21 -3.665 -12.147 0.814 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.629 -12.372 3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.534 -14.440 2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.385 -13.491 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.342 -16.984 1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.598 -16.497 2.619 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 12.705 -2.045 -0.481 1.00 0.00 N ATOM 321 CA PHE B 1 13.345 -0.734 -0.782 1.00 0.00 C ATOM 322 C PHE B 1 12.483 0.395 -0.214 1.00 0.00 C ATOM 323 O PHE B 1 11.557 0.164 0.536 1.00 0.00 O ATOM 324 CB PHE B 1 13.474 -0.568 -2.298 1.00 0.00 C ATOM 325 CG PHE B 1 12.276 -1.186 -2.978 1.00 0.00 C ATOM 326 CD1 PHE B 1 10.988 -0.722 -2.684 1.00 0.00 C ATOM 327 CD2 PHE B 1 12.455 -2.222 -3.903 1.00 0.00 C ATOM 328 CE1 PHE B 1 9.877 -1.295 -3.317 1.00 0.00 C ATOM 329 CE2 PHE B 1 11.343 -2.796 -4.536 1.00 0.00 C ATOM 330 CZ PHE B 1 10.054 -2.332 -4.242 1.00 0.00 C ATOM 0 H1 PHE B 1 13.376 -2.649 0.035 1.00 0.00 H new ATOM 0 H2 PHE B 1 11.858 -1.892 0.103 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.433 -2.511 -1.370 1.00 0.00 H new ATOM 0 HA PHE B 1 14.335 -0.697 -0.328 1.00 0.00 H new ATOM 0 HB2 PHE B 1 13.545 0.489 -2.554 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.390 -1.043 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.851 0.077 -1.970 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.449 -2.579 -4.129 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.883 -0.937 -3.092 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.480 -3.595 -5.250 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.197 -2.774 -4.729 1.00 0.00 H new ATOM 342 N VAL B 2 12.782 1.617 -0.566 1.00 0.00 N ATOM 343 CA VAL B 2 11.977 2.758 -0.045 1.00 0.00 C ATOM 344 C VAL B 2 11.732 3.767 -1.171 1.00 0.00 C ATOM 345 O VAL B 2 12.395 3.747 -2.189 1.00 0.00 O ATOM 346 CB VAL B 2 12.739 3.440 1.094 1.00 0.00 C ATOM 347 CG1 VAL B 2 14.045 4.028 0.557 1.00 0.00 C ATOM 348 CG2 VAL B 2 11.879 4.561 1.682 1.00 0.00 C ATOM 0 H VAL B 2 13.547 1.873 -1.190 1.00 0.00 H new ATOM 0 HA VAL B 2 11.021 2.389 0.326 1.00 0.00 H new ATOM 0 HB VAL B 2 12.964 2.708 1.869 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.587 4.513 1.369 1.00 0.00 H new ATOM 0 HG12 VAL B 2 14.658 3.230 0.138 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.822 4.760 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.420 5.048 2.493 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.654 5.292 0.906 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.949 4.142 2.066 1.00 0.00 H new ATOM 358 N ASN B 3 10.786 4.648 -0.996 1.00 0.00 N ATOM 359 CA ASN B 3 10.500 5.656 -2.057 1.00 0.00 C ATOM 360 C ASN B 3 9.908 4.956 -3.282 1.00 0.00 C ATOM 361 O ASN B 3 10.446 5.024 -4.368 1.00 0.00 O ATOM 362 CB ASN B 3 11.798 6.361 -2.453 1.00 0.00 C ATOM 363 CG ASN B 3 11.568 7.873 -2.489 1.00 0.00 C ATOM 364 OD1 ASN B 3 10.789 8.398 -1.718 1.00 0.00 O ATOM 365 ND2 ASN B 3 12.215 8.599 -3.358 1.00 0.00 N ATOM 0 H ASN B 3 10.199 4.714 -0.165 1.00 0.00 H new ATOM 0 HA ASN B 3 9.788 6.389 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.587 6.120 -1.741 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.131 6.010 -3.430 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.067 9.608 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.869 8.158 -4.005 1.00 0.00 H new ATOM 372 N GLN B 4 8.801 4.283 -3.116 1.00 0.00 N ATOM 373 CA GLN B 4 8.176 3.581 -4.272 1.00 0.00 C ATOM 374 C GLN B 4 6.713 4.011 -4.399 1.00 0.00 C ATOM 375 O GLN B 4 5.883 3.675 -3.578 1.00 0.00 O ATOM 376 CB GLN B 4 8.248 2.070 -4.048 1.00 0.00 C ATOM 377 CG GLN B 4 7.860 1.344 -5.336 1.00 0.00 C ATOM 378 CD GLN B 4 9.056 1.321 -6.289 1.00 0.00 C ATOM 379 OE1 GLN B 4 9.441 2.341 -6.825 1.00 0.00 O ATOM 380 NE2 GLN B 4 9.665 0.191 -6.524 1.00 0.00 N ATOM 0 H GLN B 4 8.304 4.190 -2.230 1.00 0.00 H new ATOM 0 HA GLN B 4 8.710 3.838 -5.187 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.256 1.784 -3.746 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.578 1.779 -3.238 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.542 0.326 -5.110 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.015 1.845 -5.808 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.342 -0.666 -6.074 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.464 0.164 -7.158 1.00 0.00 H new ATOM 389 N HIS B 5 6.391 4.752 -5.424 1.00 0.00 N ATOM 390 CA HIS B 5 4.983 5.204 -5.605 1.00 0.00 C ATOM 391 C HIS B 5 4.156 4.075 -6.226 1.00 0.00 C ATOM 392 O HIS B 5 4.339 3.716 -7.372 1.00 0.00 O ATOM 393 CB HIS B 5 4.957 6.425 -6.527 1.00 0.00 C ATOM 394 CG HIS B 5 5.581 7.597 -5.821 1.00 0.00 C ATOM 395 ND1 HIS B 5 4.809 8.566 -5.215 1.00 0.00 N ATOM 396 CD2 HIS B 5 6.891 7.941 -5.631 1.00 0.00 C ATOM 397 CE1 HIS B 5 5.658 9.456 -4.682 1.00 0.00 C ATOM 398 NE2 HIS B 5 6.943 9.116 -4.911 1.00 0.00 N ATOM 0 H HIS B 5 7.043 5.064 -6.144 1.00 0.00 H new ATOM 0 HA HIS B 5 4.559 5.469 -4.636 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.499 6.211 -7.448 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.931 6.660 -6.808 1.00 0.00 H new ATOM 0 HD2 HIS B 5 7.745 7.384 -5.987 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.351 10.336 -4.137 1.00 0.00 H new ATOM 0 HE2 HIS B 5 7.778 9.622 -4.614 1.00 0.00 H new ATOM 406 N LEU B 6 3.248 3.514 -5.475 1.00 0.00 N ATOM 407 CA LEU B 6 2.408 2.411 -6.014 1.00 0.00 C ATOM 408 C LEU B 6 1.008 2.947 -6.321 1.00 0.00 C ATOM 409 O LEU B 6 0.479 3.767 -5.599 1.00 0.00 O ATOM 410 CB LEU B 6 2.309 1.304 -4.965 1.00 0.00 C ATOM 411 CG LEU B 6 3.299 0.187 -5.299 1.00 0.00 C ATOM 412 CD1 LEU B 6 2.985 -0.376 -6.684 1.00 0.00 C ATOM 413 CD2 LEU B 6 4.721 0.751 -5.293 1.00 0.00 C ATOM 0 H LEU B 6 3.052 3.774 -4.508 1.00 0.00 H new ATOM 0 HA LEU B 6 2.854 2.016 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.522 1.708 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.294 0.907 -4.936 1.00 0.00 H new ATOM 0 HG LEU B 6 3.216 -0.606 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.691 -1.172 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.971 -0.775 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.069 0.417 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.428 -0.043 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.801 1.543 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.948 1.156 -4.307 1.00 0.00 H new ATOM 425 N CYS B 7 0.400 2.495 -7.385 1.00 0.00 N ATOM 426 CA CYS B 7 -0.963 2.992 -7.723 1.00 0.00 C ATOM 427 C CYS B 7 -1.547 2.171 -8.875 1.00 0.00 C ATOM 428 O CYS B 7 -0.890 1.913 -9.864 1.00 0.00 O ATOM 429 CB CYS B 7 -0.876 4.462 -8.139 1.00 0.00 C ATOM 430 SG CYS B 7 -2.474 5.266 -7.859 1.00 0.00 S ATOM 0 H CYS B 7 0.786 1.807 -8.031 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.609 2.893 -6.850 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.098 4.967 -7.567 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.598 4.537 -9.190 1.00 0.00 H new ATOM 435 N GLY B 8 -2.781 1.760 -8.754 1.00 0.00 N ATOM 436 CA GLY B 8 -3.413 0.960 -9.842 1.00 0.00 C ATOM 437 C GLY B 8 -2.896 -0.478 -9.794 1.00 0.00 C ATOM 438 O GLY B 8 -2.502 -0.974 -8.757 1.00 0.00 O ATOM 0 H GLY B 8 -3.379 1.944 -7.948 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.497 0.970 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.188 1.405 -10.811 1.00 0.00 H new ATOM 442 N SER B 9 -2.894 -1.153 -10.911 1.00 0.00 N ATOM 443 CA SER B 9 -2.403 -2.559 -10.935 1.00 0.00 C ATOM 444 C SER B 9 -0.995 -2.618 -10.343 1.00 0.00 C ATOM 445 O SER B 9 -0.522 -3.662 -9.943 1.00 0.00 O ATOM 446 CB SER B 9 -2.372 -3.064 -12.378 1.00 0.00 C ATOM 447 OG SER B 9 -2.791 -4.422 -12.410 1.00 0.00 O ATOM 0 H SER B 9 -3.212 -0.790 -11.810 1.00 0.00 H new ATOM 0 HA SER B 9 -3.071 -3.187 -10.345 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.026 -2.455 -13.003 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.365 -2.972 -12.786 1.00 0.00 H new ATOM 0 HG SER B 9 -2.774 -4.748 -13.334 1.00 0.00 H new ATOM 453 N ASP B 10 -0.322 -1.505 -10.278 1.00 0.00 N ATOM 454 CA ASP B 10 1.046 -1.498 -9.709 1.00 0.00 C ATOM 455 C ASP B 10 0.993 -2.084 -8.299 1.00 0.00 C ATOM 456 O ASP B 10 1.981 -2.554 -7.769 1.00 0.00 O ATOM 457 CB ASP B 10 1.554 -0.059 -9.655 1.00 0.00 C ATOM 458 CG ASP B 10 2.213 0.301 -10.988 1.00 0.00 C ATOM 459 OD1 ASP B 10 2.245 -0.550 -11.860 1.00 0.00 O ATOM 460 OD2 ASP B 10 2.677 1.423 -11.113 1.00 0.00 O ATOM 0 H ASP B 10 -0.664 -0.598 -10.596 1.00 0.00 H new ATOM 0 HA ASP B 10 1.718 -2.094 -10.326 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.728 0.622 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.270 0.055 -8.841 1.00 0.00 H new ATOM 465 N LEU B 11 -0.162 -2.068 -7.694 1.00 0.00 N ATOM 466 CA LEU B 11 -0.297 -2.629 -6.324 1.00 0.00 C ATOM 467 C LEU B 11 -0.174 -4.151 -6.385 1.00 0.00 C ATOM 468 O LEU B 11 0.663 -4.741 -5.733 1.00 0.00 O ATOM 469 CB LEU B 11 -1.669 -2.258 -5.763 1.00 0.00 C ATOM 470 CG LEU B 11 -1.538 -1.077 -4.801 1.00 0.00 C ATOM 471 CD1 LEU B 11 -2.884 -0.829 -4.127 1.00 0.00 C ATOM 472 CD2 LEU B 11 -0.495 -1.396 -3.729 1.00 0.00 C ATOM 0 H LEU B 11 -1.021 -1.689 -8.093 1.00 0.00 H new ATOM 0 HA LEU B 11 0.486 -2.224 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.347 -2.001 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.103 -3.113 -5.245 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.229 -0.192 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.797 0.012 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.634 -0.602 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.184 -1.720 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.405 -0.551 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.804 -2.281 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.469 -1.583 -4.203 1.00 0.00 H new ATOM 484 N VAL B 12 -1.001 -4.793 -7.166 1.00 0.00 N ATOM 485 CA VAL B 12 -0.921 -6.275 -7.261 1.00 0.00 C ATOM 486 C VAL B 12 0.452 -6.663 -7.797 1.00 0.00 C ATOM 487 O VAL B 12 0.884 -7.785 -7.651 1.00 0.00 O ATOM 488 CB VAL B 12 -2.014 -6.803 -8.193 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.311 -6.055 -7.911 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.611 -6.588 -9.655 1.00 0.00 C ATOM 0 H VAL B 12 -1.724 -4.356 -7.738 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.067 -6.712 -6.273 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.152 -7.870 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.095 -6.425 -8.571 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.605 -6.214 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.162 -4.990 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.396 -6.968 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.468 -5.523 -9.840 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.681 -7.120 -9.858 1.00 0.00 H new ATOM 500 N GLU B 13 1.149 -5.735 -8.395 1.00 0.00 N ATOM 501 CA GLU B 13 2.506 -6.048 -8.915 1.00 0.00 C ATOM 502 C GLU B 13 3.435 -6.157 -7.717 1.00 0.00 C ATOM 503 O GLU B 13 4.180 -7.105 -7.569 1.00 0.00 O ATOM 504 CB GLU B 13 2.980 -4.926 -9.842 1.00 0.00 C ATOM 505 CG GLU B 13 4.154 -5.424 -10.688 1.00 0.00 C ATOM 506 CD GLU B 13 5.282 -4.392 -10.656 1.00 0.00 C ATOM 507 OE1 GLU B 13 4.979 -3.213 -10.577 1.00 0.00 O ATOM 508 OE2 GLU B 13 6.431 -4.798 -10.709 1.00 0.00 O ATOM 0 H GLU B 13 0.836 -4.776 -8.545 1.00 0.00 H new ATOM 0 HA GLU B 13 2.497 -6.978 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.163 -4.604 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.283 -4.059 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.511 -6.380 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.830 -5.592 -11.715 1.00 0.00 H new ATOM 515 N ALA B 14 3.359 -5.201 -6.837 1.00 0.00 N ATOM 516 CA ALA B 14 4.198 -5.247 -5.617 1.00 0.00 C ATOM 517 C ALA B 14 3.771 -6.473 -4.815 1.00 0.00 C ATOM 518 O ALA B 14 4.584 -7.200 -4.275 1.00 0.00 O ATOM 519 CB ALA B 14 3.958 -3.981 -4.797 1.00 0.00 C ATOM 0 H ALA B 14 2.748 -4.387 -6.913 1.00 0.00 H new ATOM 0 HA ALA B 14 5.257 -5.307 -5.869 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.573 -4.008 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.223 -3.107 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.906 -3.923 -4.516 1.00 0.00 H new ATOM 525 N LEU B 15 2.490 -6.717 -4.759 1.00 0.00 N ATOM 526 CA LEU B 15 1.987 -7.904 -4.022 1.00 0.00 C ATOM 527 C LEU B 15 2.365 -9.154 -4.811 1.00 0.00 C ATOM 528 O LEU B 15 2.796 -10.149 -4.265 1.00 0.00 O ATOM 529 CB LEU B 15 0.465 -7.810 -3.883 1.00 0.00 C ATOM 530 CG LEU B 15 0.090 -6.452 -3.284 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.343 -6.091 -3.680 1.00 0.00 C ATOM 532 CD2 LEU B 15 0.195 -6.522 -1.759 1.00 0.00 C ATOM 0 H LEU B 15 1.770 -6.141 -5.195 1.00 0.00 H new ATOM 0 HA LEU B 15 2.427 -7.949 -3.026 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.008 -7.933 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.097 -8.614 -3.246 1.00 0.00 H new ATOM 0 HG LEU B 15 0.771 -5.690 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.606 -5.124 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.418 -6.039 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.027 -6.852 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.072 -5.556 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.485 -7.286 -1.382 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.217 -6.774 -1.476 1.00 0.00 H new ATOM 544 N TYR B 16 2.214 -9.091 -6.100 1.00 0.00 N ATOM 545 CA TYR B 16 2.572 -10.252 -6.966 1.00 0.00 C ATOM 546 C TYR B 16 3.866 -10.896 -6.473 1.00 0.00 C ATOM 547 O TYR B 16 3.897 -12.030 -6.037 1.00 0.00 O ATOM 548 CB TYR B 16 2.829 -9.759 -8.391 1.00 0.00 C ATOM 549 CG TYR B 16 2.185 -10.692 -9.382 1.00 0.00 C ATOM 550 CD1 TYR B 16 0.841 -10.521 -9.727 1.00 0.00 C ATOM 551 CD2 TYR B 16 2.934 -11.725 -9.960 1.00 0.00 C ATOM 552 CE1 TYR B 16 0.238 -11.384 -10.651 1.00 0.00 C ATOM 553 CE2 TYR B 16 2.332 -12.590 -10.885 1.00 0.00 C ATOM 554 CZ TYR B 16 0.984 -12.420 -11.230 1.00 0.00 C ATOM 555 OH TYR B 16 0.393 -13.271 -12.141 1.00 0.00 O ATOM 0 H TYR B 16 1.854 -8.278 -6.600 1.00 0.00 H new ATOM 0 HA TYR B 16 1.752 -10.970 -6.936 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.430 -8.752 -8.514 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.901 -9.701 -8.577 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.267 -9.723 -9.281 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.973 -11.855 -9.694 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.800 -11.251 -10.917 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.907 -13.388 -11.332 1.00 0.00 H new ATOM 0 HH TYR B 16 1.050 -13.931 -12.446 1.00 0.00 H new ATOM 565 N LEU B 17 4.940 -10.174 -6.591 1.00 0.00 N ATOM 566 CA LEU B 17 6.272 -10.700 -6.198 1.00 0.00 C ATOM 567 C LEU B 17 6.323 -11.089 -4.713 1.00 0.00 C ATOM 568 O LEU B 17 6.829 -12.139 -4.371 1.00 0.00 O ATOM 569 CB LEU B 17 7.311 -9.618 -6.488 1.00 0.00 C ATOM 570 CG LEU B 17 8.656 -10.245 -6.867 1.00 0.00 C ATOM 571 CD1 LEU B 17 8.451 -11.347 -7.912 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.555 -9.161 -7.460 1.00 0.00 C ATOM 0 H LEU B 17 4.951 -9.220 -6.951 1.00 0.00 H new ATOM 0 HA LEU B 17 6.477 -11.604 -6.771 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.961 -8.979 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.435 -8.982 -5.612 1.00 0.00 H new ATOM 0 HG LEU B 17 9.114 -10.677 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.415 -11.785 -8.173 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.800 -12.120 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.992 -10.921 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.516 -9.595 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.081 -8.740 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU B 17 9.710 -8.373 -6.723 1.00 0.00 H new ATOM 584 N VAL B 18 5.830 -10.271 -3.821 1.00 0.00 N ATOM 585 CA VAL B 18 5.904 -10.655 -2.379 1.00 0.00 C ATOM 586 C VAL B 18 5.039 -11.883 -2.129 1.00 0.00 C ATOM 587 O VAL B 18 5.462 -12.850 -1.529 1.00 0.00 O ATOM 588 CB VAL B 18 5.422 -9.503 -1.500 1.00 0.00 C ATOM 589 CG1 VAL B 18 6.316 -8.286 -1.721 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.987 -9.145 -1.867 1.00 0.00 C ATOM 0 H VAL B 18 5.389 -9.373 -4.020 1.00 0.00 H new ATOM 0 HA VAL B 18 6.940 -10.883 -2.129 1.00 0.00 H new ATOM 0 HB VAL B 18 5.466 -9.806 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.972 -7.463 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.344 -8.537 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.271 -7.987 -2.768 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.645 -8.323 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.943 -8.844 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.345 -10.012 -1.712 1.00 0.00 H new ATOM 600 N CYS B 19 3.829 -11.846 -2.589 1.00 0.00 N ATOM 601 CA CYS B 19 2.915 -13.001 -2.392 1.00 0.00 C ATOM 602 C CYS B 19 2.664 -13.685 -3.736 1.00 0.00 C ATOM 603 O CYS B 19 2.967 -14.847 -3.920 1.00 0.00 O ATOM 604 CB CYS B 19 1.591 -12.501 -1.817 1.00 0.00 C ATOM 605 SG CYS B 19 1.553 -12.804 -0.033 1.00 0.00 S ATOM 0 H CYS B 19 3.427 -11.059 -3.098 1.00 0.00 H new ATOM 0 HA CYS B 19 3.366 -13.714 -1.702 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.474 -11.436 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.757 -13.010 -2.301 1.00 0.00 H new ATOM 610 N GLY B 20 2.114 -12.972 -4.679 1.00 0.00 N ATOM 611 CA GLY B 20 1.846 -13.577 -6.012 1.00 0.00 C ATOM 612 C GLY B 20 1.127 -14.915 -5.831 1.00 0.00 C ATOM 613 O GLY B 20 -0.080 -14.968 -5.703 1.00 0.00 O ATOM 0 H GLY B 20 1.838 -11.995 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.236 -12.903 -6.613 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.782 -13.725 -6.551 1.00 0.00 H new ATOM 617 N GLU B 21 1.858 -15.997 -5.819 1.00 0.00 N ATOM 618 CA GLU B 21 1.213 -17.328 -5.645 1.00 0.00 C ATOM 619 C GLU B 21 0.448 -17.354 -4.322 1.00 0.00 C ATOM 620 O GLU B 21 -0.395 -18.199 -4.096 1.00 0.00 O ATOM 621 CB GLU B 21 2.285 -18.419 -5.638 1.00 0.00 C ATOM 622 CG GLU B 21 2.027 -19.397 -6.786 1.00 0.00 C ATOM 623 CD GLU B 21 3.355 -19.975 -7.276 1.00 0.00 C ATOM 624 OE1 GLU B 21 4.146 -19.218 -7.816 1.00 0.00 O ATOM 625 OE2 GLU B 21 3.560 -21.165 -7.104 1.00 0.00 O ATOM 0 H GLU B 21 2.873 -16.016 -5.922 1.00 0.00 H new ATOM 0 HA GLU B 21 0.521 -17.507 -6.468 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.274 -17.972 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.273 -18.949 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.370 -20.200 -6.452 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.517 -18.887 -7.603 1.00 0.00 H new ATOM 632 N ARG B 22 0.733 -16.431 -3.447 1.00 0.00 N ATOM 633 CA ARG B 22 0.021 -16.399 -2.139 1.00 0.00 C ATOM 634 C ARG B 22 -1.366 -15.779 -2.328 1.00 0.00 C ATOM 635 O ARG B 22 -2.145 -15.685 -1.400 1.00 0.00 O ATOM 636 CB ARG B 22 0.822 -15.558 -1.142 1.00 0.00 C ATOM 637 CG ARG B 22 1.536 -16.478 -0.152 1.00 0.00 C ATOM 638 CD ARG B 22 0.514 -17.396 0.521 1.00 0.00 C ATOM 639 NE ARG B 22 0.899 -17.608 1.945 1.00 0.00 N ATOM 640 CZ ARG B 22 0.183 -18.391 2.704 1.00 0.00 C ATOM 641 NH1 ARG B 22 -1.099 -18.183 2.832 1.00 0.00 N ATOM 642 NH2 ARG B 22 0.748 -19.383 3.337 1.00 0.00 N ATOM 0 H ARG B 22 1.428 -15.697 -3.581 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.083 -17.415 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.549 -14.943 -1.672 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.158 -14.878 -0.608 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.289 -17.072 -0.670 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.059 -15.886 0.599 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.481 -16.954 0.464 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.469 -18.352 -0.001 1.00 0.00 H new ATOM 0 HE ARG B 22 1.722 -17.141 2.326 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.542 -17.408 2.338 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.658 -18.796 3.426 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.750 -19.546 3.238 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.187 -19.995 3.930 1.00 0.00 H new ATOM 656 N GLY B 23 -1.681 -15.354 -3.522 1.00 0.00 N ATOM 657 CA GLY B 23 -3.016 -14.742 -3.766 1.00 0.00 C ATOM 658 C GLY B 23 -3.184 -13.517 -2.866 1.00 0.00 C ATOM 659 O GLY B 23 -3.855 -13.566 -1.854 1.00 0.00 O ATOM 0 H GLY B 23 -1.071 -15.405 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.111 -14.454 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.804 -15.467 -3.563 1.00 0.00 H new ATOM 663 N PHE B 24 -2.577 -12.418 -3.222 1.00 0.00 N ATOM 664 CA PHE B 24 -2.697 -11.197 -2.388 1.00 0.00 C ATOM 665 C PHE B 24 -4.174 -10.849 -2.200 1.00 0.00 C ATOM 666 O PHE B 24 -5.042 -11.420 -2.830 1.00 0.00 O ATOM 667 CB PHE B 24 -1.979 -10.039 -3.082 1.00 0.00 C ATOM 668 CG PHE B 24 -2.148 -10.149 -4.580 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.392 -9.880 -5.168 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.059 -10.518 -5.381 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.545 -9.981 -6.557 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.213 -10.619 -6.770 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.456 -10.351 -7.357 1.00 0.00 C ATOM 0 H PHE B 24 -2.002 -12.317 -4.058 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.243 -11.374 -1.413 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.381 -9.089 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.920 -10.051 -2.825 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.231 -9.595 -4.551 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.101 -10.725 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.503 -9.774 -7.011 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.374 -10.903 -7.388 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.575 -10.430 -8.428 1.00 0.00 H new ATOM 683 N PHE B 25 -4.466 -9.920 -1.332 1.00 0.00 N ATOM 684 CA PHE B 25 -5.887 -9.540 -1.099 1.00 0.00 C ATOM 685 C PHE B 25 -6.155 -8.159 -1.701 1.00 0.00 C ATOM 686 O PHE B 25 -7.109 -7.494 -1.350 1.00 0.00 O ATOM 687 CB PHE B 25 -6.160 -9.503 0.406 1.00 0.00 C ATOM 688 CG PHE B 25 -7.618 -9.190 0.645 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.598 -10.144 0.344 1.00 0.00 C ATOM 690 CD2 PHE B 25 -7.990 -7.944 1.169 1.00 0.00 C ATOM 691 CE1 PHE B 25 -9.950 -9.854 0.566 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.342 -7.654 1.390 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.323 -8.609 1.089 1.00 0.00 C ATOM 0 H PHE B 25 -3.782 -9.408 -0.774 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.542 -10.272 -1.572 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -5.904 -10.462 0.857 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.532 -8.750 0.882 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.311 -11.104 -0.060 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.234 -7.208 1.402 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.705 -10.590 0.334 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.629 -6.694 1.793 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.366 -8.385 1.260 1.00 0.00 H new ATOM 703 N TYR B 26 -5.324 -7.722 -2.608 1.00 0.00 N ATOM 704 CA TYR B 26 -5.542 -6.385 -3.228 1.00 0.00 C ATOM 705 C TYR B 26 -7.003 -6.264 -3.649 1.00 0.00 C ATOM 706 O TYR B 26 -7.763 -7.211 -3.595 1.00 0.00 O ATOM 707 CB TYR B 26 -4.624 -6.229 -4.443 1.00 0.00 C ATOM 708 CG TYR B 26 -4.997 -5.021 -5.268 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.682 -3.734 -4.812 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.652 -5.189 -6.495 1.00 0.00 C ATOM 711 CE1 TYR B 26 -5.025 -2.615 -5.585 1.00 0.00 C ATOM 712 CE2 TYR B 26 -5.993 -4.071 -7.267 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.680 -2.784 -6.811 1.00 0.00 C ATOM 714 OH TYR B 26 -6.016 -1.683 -7.571 1.00 0.00 O ATOM 0 H TYR B 26 -4.507 -8.231 -2.945 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.309 -5.598 -2.510 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.590 -6.138 -4.110 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.682 -7.125 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.176 -3.604 -3.867 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.894 -6.181 -6.846 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.784 -1.622 -5.234 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.497 -4.201 -8.213 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.464 -1.976 -8.392 1.00 0.00 H new ATOM 724 N THR B 27 -7.398 -5.099 -4.046 1.00 0.00 N ATOM 725 CA THR B 27 -8.805 -4.872 -4.454 1.00 0.00 C ATOM 726 C THR B 27 -9.000 -5.260 -5.922 1.00 0.00 C ATOM 727 O THR B 27 -8.130 -5.831 -6.547 1.00 0.00 O ATOM 728 CB THR B 27 -9.121 -3.391 -4.268 1.00 0.00 C ATOM 729 OG1 THR B 27 -8.089 -2.614 -4.858 1.00 0.00 O ATOM 730 CG2 THR B 27 -9.214 -3.072 -2.775 1.00 0.00 C ATOM 0 H THR B 27 -6.797 -4.277 -4.107 1.00 0.00 H new ATOM 0 HA THR B 27 -9.471 -5.483 -3.845 1.00 0.00 H new ATOM 0 HB THR B 27 -10.072 -3.157 -4.746 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.617 -3.152 -5.527 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.440 -2.014 -2.642 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.005 -3.671 -2.324 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.264 -3.303 -2.294 1.00 0.00 H new ATOM 738 N LYS B 28 -10.143 -4.957 -6.476 1.00 0.00 N ATOM 739 CA LYS B 28 -10.404 -5.303 -7.895 1.00 0.00 C ATOM 740 C LYS B 28 -9.465 -4.484 -8.797 1.00 0.00 C ATOM 741 O LYS B 28 -8.563 -3.834 -8.309 1.00 0.00 O ATOM 742 CB LYS B 28 -11.889 -5.028 -8.191 1.00 0.00 C ATOM 743 CG LYS B 28 -12.118 -3.579 -8.650 1.00 0.00 C ATOM 744 CD LYS B 28 -12.759 -2.777 -7.515 1.00 0.00 C ATOM 745 CE LYS B 28 -14.172 -2.357 -7.922 1.00 0.00 C ATOM 746 NZ LYS B 28 -14.551 -1.116 -7.191 1.00 0.00 N ATOM 0 H LYS B 28 -10.910 -4.481 -6.000 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.205 -6.356 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.239 -5.714 -8.962 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.481 -5.224 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.171 -3.125 -8.940 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.762 -3.563 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.794 -3.377 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.156 -1.896 -7.292 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -14.216 -2.186 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.879 -3.155 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.512 -0.830 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.524 -1.294 -6.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.882 -0.356 -7.428 1.00 0.00 H new ATOM 760 N PRO B 29 -9.691 -4.552 -10.086 1.00 0.00 N ATOM 761 CA PRO B 29 -8.867 -3.842 -11.075 1.00 0.00 C ATOM 762 C PRO B 29 -9.361 -2.403 -11.250 1.00 0.00 C ATOM 763 O PRO B 29 -10.547 -2.146 -11.317 1.00 0.00 O ATOM 764 CB PRO B 29 -9.080 -4.657 -12.355 1.00 0.00 C ATOM 765 CG PRO B 29 -10.421 -5.415 -12.178 1.00 0.00 C ATOM 766 CD PRO B 29 -10.782 -5.340 -10.682 1.00 0.00 C ATOM 0 HA PRO B 29 -7.818 -3.765 -10.791 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -9.115 -4.005 -13.228 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -8.258 -5.355 -12.511 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.204 -4.963 -12.787 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.324 -6.452 -12.501 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.749 -4.861 -10.529 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.845 -6.333 -10.237 1.00 0.00 H new ATOM 774 N THR B 30 -8.460 -1.460 -11.322 1.00 0.00 N ATOM 775 CA THR B 30 -8.879 -0.040 -11.490 1.00 0.00 C ATOM 776 C THR B 30 -9.963 0.298 -10.464 1.00 0.00 C ATOM 777 O THR B 30 -9.866 -0.185 -9.349 1.00 0.00 O ATOM 778 CB THR B 30 -9.432 0.167 -12.902 1.00 0.00 C ATOM 779 OG1 THR B 30 -9.173 -0.991 -13.684 1.00 0.00 O ATOM 780 CG2 THR B 30 -8.759 1.380 -13.543 1.00 0.00 C ATOM 781 OXT THR B 30 -10.872 1.033 -10.813 1.00 0.00 O ATOM 0 H THR B 30 -7.453 -1.612 -11.272 1.00 0.00 H new ATOM 0 HA THR B 30 -8.018 0.611 -11.338 1.00 0.00 H new ATOM 0 HB THR B 30 -10.507 0.338 -12.850 1.00 0.00 H new ATOM 0 HG1 THR B 30 -9.528 -0.861 -14.588 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.154 1.526 -14.548 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.959 2.267 -12.942 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.683 1.213 -13.596 1.00 0.00 H new TER 789 THR B 30