USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 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= -0.217 K(o=-0.22,f=-3!) USER MOD Set 1.2: A 15 GLN : amide:sc= 0 X(o=-0.22,f=-0.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0163 (180deg=-0.0163) USER MOD Single : A 8 HIS : no HD1:sc= -0.92 K(o=-0.92,f=-2.4) 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= -0.416 K(o=-0.42,f=-3.5!) USER MOD Single : A 19 TYR OH : rot 1:sc= 1.15 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.182 (180deg=0.0407) USER MOD Single : B 3 ASN : amide:sc= -1.98 K(o=-2,f=-3.3!) USER MOD Single : B 4 GLN : amide:sc= -0.0356 X(o=-0.036,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-7.2!) 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 -35:sc= 1.68 USER MOD Single : B 28 LYS NZ :NH3+ -158:sc=-0.00365 (180deg=-0.145) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.188 3.388 3.123 1.00 0.00 N ATOM 2 CA GLY A 1 -5.225 2.303 3.607 1.00 0.00 C ATOM 3 C GLY A 1 -4.619 1.364 2.619 1.00 0.00 C ATOM 4 O GLY A 1 -3.842 0.499 2.967 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.515 3.950 3.935 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.700 4.009 2.447 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.005 2.944 2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.407 2.801 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.755 1.702 4.346 1.00 0.00 H new ATOM 10 N LEU A 2 -4.956 1.507 1.366 1.00 0.00 N ATOM 11 CA LEU A 2 -4.383 0.599 0.333 1.00 0.00 C ATOM 12 C LEU A 2 -3.736 1.436 -0.772 1.00 0.00 C ATOM 13 O LEU A 2 -2.623 1.182 -1.185 1.00 0.00 O ATOM 14 CB LEU A 2 -5.498 -0.262 -0.262 1.00 0.00 C ATOM 15 CG LEU A 2 -4.901 -1.270 -1.244 1.00 0.00 C ATOM 16 CD1 LEU A 2 -4.046 -2.283 -0.480 1.00 0.00 C ATOM 17 CD2 LEU A 2 -6.030 -2.002 -1.970 1.00 0.00 C ATOM 0 H LEU A 2 -5.603 2.213 1.014 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.632 -0.047 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.030 -0.785 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.226 0.369 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.280 -0.746 -1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -3.620 -3.002 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -3.241 -1.762 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.666 -2.808 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.606 -2.721 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.650 -2.526 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.640 -1.281 -2.515 1.00 0.00 H new ATOM 29 N LEU A 3 -4.427 2.432 -1.251 1.00 0.00 N ATOM 30 CA LEU A 3 -3.858 3.289 -2.329 1.00 0.00 C ATOM 31 C LEU A 3 -3.584 4.683 -1.767 1.00 0.00 C ATOM 32 O LEU A 3 -2.755 5.417 -2.268 1.00 0.00 O ATOM 33 CB LEU A 3 -4.855 3.399 -3.488 1.00 0.00 C ATOM 34 CG LEU A 3 -5.816 2.208 -3.469 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.969 2.464 -4.440 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.066 0.943 -3.890 1.00 0.00 C ATOM 0 H LEU A 3 -5.364 2.691 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.932 2.845 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.416 4.330 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.320 3.429 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.213 2.079 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.652 1.615 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.504 3.365 -4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.574 2.594 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.749 0.094 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.669 1.074 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.245 0.759 -3.197 1.00 0.00 H new ATOM 48 N GLU A 4 -4.279 5.048 -0.729 1.00 0.00 N ATOM 49 CA GLU A 4 -4.070 6.395 -0.125 1.00 0.00 C ATOM 50 C GLU A 4 -2.687 6.455 0.528 1.00 0.00 C ATOM 51 O GLU A 4 -2.215 7.509 0.907 1.00 0.00 O ATOM 52 CB GLU A 4 -5.146 6.647 0.933 1.00 0.00 C ATOM 53 CG GLU A 4 -5.612 8.103 0.852 1.00 0.00 C ATOM 54 CD GLU A 4 -7.130 8.163 1.034 1.00 0.00 C ATOM 55 OE1 GLU A 4 -7.692 7.184 1.498 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.705 9.188 0.709 1.00 0.00 O ATOM 0 H GLU A 4 -4.985 4.472 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.135 7.157 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.990 5.975 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.751 6.435 1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.119 8.697 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.333 8.532 -0.110 1.00 0.00 H new ATOM 63 N GLN A 5 -2.033 5.333 0.663 1.00 0.00 N ATOM 64 CA GLN A 5 -0.683 5.331 1.293 1.00 0.00 C ATOM 65 C GLN A 5 0.385 5.154 0.216 1.00 0.00 C ATOM 66 O GLN A 5 1.497 5.629 0.343 1.00 0.00 O ATOM 67 CB GLN A 5 -0.590 4.180 2.297 1.00 0.00 C ATOM 68 CG GLN A 5 0.371 4.561 3.425 1.00 0.00 C ATOM 69 CD GLN A 5 -0.026 3.822 4.704 1.00 0.00 C ATOM 70 OE1 GLN A 5 -1.126 3.316 4.811 1.00 0.00 O ATOM 71 NE2 GLN A 5 0.829 3.736 5.685 1.00 0.00 N ATOM 0 H GLN A 5 -2.375 4.420 0.365 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.523 6.278 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.576 3.959 2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.241 3.276 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.394 4.306 3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.345 5.638 3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.752 4.160 5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.575 3.244 6.542 1.00 0.00 H new ATOM 80 N CYS A 6 0.057 4.474 -0.842 1.00 0.00 N ATOM 81 CA CYS A 6 1.051 4.262 -1.931 1.00 0.00 C ATOM 82 C CYS A 6 0.705 5.163 -3.119 1.00 0.00 C ATOM 83 O CYS A 6 1.523 5.405 -3.984 1.00 0.00 O ATOM 84 CB CYS A 6 1.028 2.798 -2.378 1.00 0.00 C ATOM 85 SG CYS A 6 0.709 1.729 -0.952 1.00 0.00 S ATOM 0 H CYS A 6 -0.858 4.054 -1.003 1.00 0.00 H new ATOM 0 HA CYS A 6 2.046 4.509 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.257 2.651 -3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.980 2.533 -2.837 1.00 0.00 H new ATOM 90 N CYS A 7 -0.498 5.664 -3.166 1.00 0.00 N ATOM 91 CA CYS A 7 -0.891 6.551 -4.296 1.00 0.00 C ATOM 92 C CYS A 7 -0.684 8.010 -3.886 1.00 0.00 C ATOM 93 O CYS A 7 -0.323 8.847 -4.689 1.00 0.00 O ATOM 94 CB CYS A 7 -2.363 6.321 -4.644 1.00 0.00 C ATOM 95 SG CYS A 7 -2.679 6.897 -6.330 1.00 0.00 S ATOM 0 H CYS A 7 -1.226 5.498 -2.471 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.277 6.324 -5.168 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.607 5.262 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.002 6.854 -3.940 1.00 0.00 H new ATOM 100 N HIS A 8 -0.909 8.321 -2.638 1.00 0.00 N ATOM 101 CA HIS A 8 -0.723 9.723 -2.173 1.00 0.00 C ATOM 102 C HIS A 8 0.700 9.890 -1.636 1.00 0.00 C ATOM 103 O HIS A 8 1.190 10.992 -1.479 1.00 0.00 O ATOM 104 CB HIS A 8 -1.727 10.028 -1.060 1.00 0.00 C ATOM 105 CG HIS A 8 -1.533 11.441 -0.584 1.00 0.00 C ATOM 106 ND1 HIS A 8 -0.596 11.753 0.378 1.00 0.00 N ATOM 107 CD2 HIS A 8 -2.155 12.605 -0.942 1.00 0.00 C ATOM 108 CE1 HIS A 8 -0.673 13.077 0.574 1.00 0.00 C ATOM 109 NE2 HIS A 8 -1.613 13.641 -0.212 1.00 0.00 N ATOM 0 H HIS A 8 -1.214 7.663 -1.921 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.884 10.410 -3.004 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.745 9.893 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.591 9.332 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.942 12.697 -1.676 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -0.059 13.624 1.274 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.869 14.627 -0.257 1.00 0.00 H new ATOM 117 N SER A 9 1.366 8.805 -1.357 1.00 0.00 N ATOM 118 CA SER A 9 2.757 8.895 -0.832 1.00 0.00 C ATOM 119 C SER A 9 3.549 7.665 -1.280 1.00 0.00 C ATOM 120 O SER A 9 3.121 6.918 -2.138 1.00 0.00 O ATOM 121 CB SER A 9 2.724 8.953 0.696 1.00 0.00 C ATOM 122 OG SER A 9 3.788 9.775 1.157 1.00 0.00 O ATOM 0 H SER A 9 1.006 7.857 -1.470 1.00 0.00 H new ATOM 0 HA SER A 9 3.234 9.796 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.768 9.351 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.818 7.950 1.112 1.00 0.00 H new ATOM 0 HG SER A 9 3.769 9.816 2.136 1.00 0.00 H new ATOM 128 N ILE A 10 4.701 7.446 -0.707 1.00 0.00 N ATOM 129 CA ILE A 10 5.516 6.263 -1.104 1.00 0.00 C ATOM 130 C ILE A 10 5.115 5.055 -0.253 1.00 0.00 C ATOM 131 O ILE A 10 4.679 5.194 0.873 1.00 0.00 O ATOM 132 CB ILE A 10 6.999 6.569 -0.886 1.00 0.00 C ATOM 133 CG1 ILE A 10 7.465 7.595 -1.920 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.813 5.284 -1.042 1.00 0.00 C ATOM 135 CD1 ILE A 10 7.055 8.999 -1.470 1.00 0.00 C ATOM 0 H ILE A 10 5.112 8.034 0.018 1.00 0.00 H new ATOM 0 HA ILE A 10 5.341 6.040 -2.156 1.00 0.00 H new ATOM 0 HB ILE A 10 7.143 6.971 0.117 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.547 7.541 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.027 7.371 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.870 5.502 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.481 4.552 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.669 4.882 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.388 9.729 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.970 9.048 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.515 9.221 -0.507 1.00 0.00 H new ATOM 147 N CYS A 11 5.260 3.870 -0.781 1.00 0.00 N ATOM 148 CA CYS A 11 4.885 2.656 -0.003 1.00 0.00 C ATOM 149 C CYS A 11 6.080 1.701 0.062 1.00 0.00 C ATOM 150 O CYS A 11 7.154 2.001 -0.421 1.00 0.00 O ATOM 151 CB CYS A 11 3.712 1.952 -0.686 1.00 0.00 C ATOM 152 SG CYS A 11 2.220 2.145 0.322 1.00 0.00 S ATOM 0 H CYS A 11 5.622 3.691 -1.718 1.00 0.00 H new ATOM 0 HA CYS A 11 4.596 2.949 1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.550 2.373 -1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.938 0.894 -0.821 1.00 0.00 H new ATOM 157 N SER A 12 5.901 0.552 0.654 1.00 0.00 N ATOM 158 CA SER A 12 7.024 -0.423 0.747 1.00 0.00 C ATOM 159 C SER A 12 6.466 -1.847 0.726 1.00 0.00 C ATOM 160 O SER A 12 5.552 -2.177 1.455 1.00 0.00 O ATOM 161 CB SER A 12 7.790 -0.195 2.051 1.00 0.00 C ATOM 162 OG SER A 12 6.871 0.143 3.082 1.00 0.00 O ATOM 0 H SER A 12 5.025 0.246 1.078 1.00 0.00 H new ATOM 0 HA SER A 12 7.697 -0.284 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.345 -1.093 2.322 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.520 0.604 1.922 1.00 0.00 H new ATOM 0 HG SER A 12 7.358 0.288 3.920 1.00 0.00 H new ATOM 168 N LEU A 13 7.010 -2.695 -0.103 1.00 0.00 N ATOM 169 CA LEU A 13 6.516 -4.093 -0.172 1.00 0.00 C ATOM 170 C LEU A 13 6.341 -4.643 1.245 1.00 0.00 C ATOM 171 O LEU A 13 5.499 -5.482 1.496 1.00 0.00 O ATOM 172 CB LEU A 13 7.529 -4.951 -0.932 1.00 0.00 C ATOM 173 CG LEU A 13 8.065 -4.184 -2.146 1.00 0.00 C ATOM 174 CD1 LEU A 13 8.756 -5.161 -3.101 1.00 0.00 C ATOM 175 CD2 LEU A 13 6.906 -3.499 -2.876 1.00 0.00 C ATOM 0 H LEU A 13 7.778 -2.476 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 13 5.557 -4.116 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.353 -5.224 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.059 -5.879 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 13 8.778 -3.431 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.138 -4.617 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.583 -5.650 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.040 -5.913 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.290 -2.955 -3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.191 -4.251 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.410 -2.803 -2.199 1.00 0.00 H new ATOM 187 N TYR A 14 7.129 -4.175 2.174 1.00 0.00 N ATOM 188 CA TYR A 14 7.006 -4.671 3.573 1.00 0.00 C ATOM 189 C TYR A 14 5.626 -4.316 4.118 1.00 0.00 C ATOM 190 O TYR A 14 4.824 -5.175 4.425 1.00 0.00 O ATOM 191 CB TYR A 14 8.084 -4.020 4.445 1.00 0.00 C ATOM 192 CG TYR A 14 7.981 -4.551 5.855 1.00 0.00 C ATOM 193 CD1 TYR A 14 8.088 -5.928 6.095 1.00 0.00 C ATOM 194 CD2 TYR A 14 7.780 -3.668 6.924 1.00 0.00 C ATOM 195 CE1 TYR A 14 7.992 -6.421 7.403 1.00 0.00 C ATOM 196 CE2 TYR A 14 7.685 -4.161 8.232 1.00 0.00 C ATOM 197 CZ TYR A 14 7.791 -5.538 8.472 1.00 0.00 C ATOM 198 OH TYR A 14 7.699 -6.023 9.761 1.00 0.00 O ATOM 0 H TYR A 14 7.852 -3.471 2.024 1.00 0.00 H new ATOM 0 HA TYR A 14 7.135 -5.753 3.587 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.073 -4.231 4.037 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.963 -2.937 4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.244 -6.609 5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.698 -2.607 6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.073 -7.482 7.587 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.530 -3.480 9.056 1.00 0.00 H new ATOM 0 HH TYR A 14 7.561 -5.278 10.382 1.00 0.00 H new ATOM 208 N GLN A 15 5.349 -3.053 4.238 1.00 0.00 N ATOM 209 CA GLN A 15 4.021 -2.624 4.762 1.00 0.00 C ATOM 210 C GLN A 15 2.946 -2.897 3.709 1.00 0.00 C ATOM 211 O GLN A 15 1.772 -2.988 4.013 1.00 0.00 O ATOM 212 CB GLN A 15 4.056 -1.128 5.079 1.00 0.00 C ATOM 213 CG GLN A 15 3.700 -0.907 6.550 1.00 0.00 C ATOM 214 CD GLN A 15 2.781 0.309 6.677 1.00 0.00 C ATOM 215 OE1 GLN A 15 3.141 1.401 6.285 1.00 0.00 O ATOM 216 NE2 GLN A 15 1.599 0.165 7.214 1.00 0.00 N ATOM 0 H GLN A 15 5.985 -2.293 3.996 1.00 0.00 H new ATOM 0 HA GLN A 15 3.791 -3.182 5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.047 -0.725 4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.353 -0.594 4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.207 -1.792 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.607 -0.753 7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.297 -0.752 7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.978 0.969 7.304 1.00 0.00 H new ATOM 225 N LEU A 16 3.338 -3.035 2.475 1.00 0.00 N ATOM 226 CA LEU A 16 2.343 -3.309 1.403 1.00 0.00 C ATOM 227 C LEU A 16 1.934 -4.776 1.470 1.00 0.00 C ATOM 228 O LEU A 16 0.872 -5.160 1.022 1.00 0.00 O ATOM 229 CB LEU A 16 2.968 -3.014 0.037 1.00 0.00 C ATOM 230 CG LEU A 16 1.926 -3.230 -1.060 1.00 0.00 C ATOM 231 CD1 LEU A 16 2.173 -2.240 -2.200 1.00 0.00 C ATOM 232 CD2 LEU A 16 2.038 -4.660 -1.595 1.00 0.00 C ATOM 0 H LEU A 16 4.306 -2.970 2.162 1.00 0.00 H new ATOM 0 HA LEU A 16 1.467 -2.675 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.335 -1.988 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.827 -3.664 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 16 0.929 -3.071 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.430 -2.394 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.095 -1.221 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.170 -2.399 -2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.295 -4.815 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.035 -4.818 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.863 -5.367 -0.784 1.00 0.00 H new ATOM 244 N GLU A 17 2.773 -5.601 2.031 1.00 0.00 N ATOM 245 CA GLU A 17 2.439 -7.045 2.133 1.00 0.00 C ATOM 246 C GLU A 17 1.274 -7.228 3.108 1.00 0.00 C ATOM 247 O GLU A 17 0.713 -8.298 3.227 1.00 0.00 O ATOM 248 CB GLU A 17 3.657 -7.818 2.641 1.00 0.00 C ATOM 249 CG GLU A 17 3.814 -9.108 1.835 1.00 0.00 C ATOM 250 CD GLU A 17 5.136 -9.785 2.204 1.00 0.00 C ATOM 251 OE1 GLU A 17 6.173 -9.242 1.859 1.00 0.00 O ATOM 252 OE2 GLU A 17 5.089 -10.833 2.824 1.00 0.00 O ATOM 0 H GLU A 17 3.676 -5.335 2.423 1.00 0.00 H new ATOM 0 HA GLU A 17 2.156 -7.423 1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.554 -7.206 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.538 -8.050 3.699 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.980 -9.780 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.792 -8.887 0.768 1.00 0.00 H new ATOM 259 N ASN A 18 0.907 -6.188 3.809 1.00 0.00 N ATOM 260 CA ASN A 18 -0.221 -6.302 4.777 1.00 0.00 C ATOM 261 C ASN A 18 -1.532 -6.500 4.014 1.00 0.00 C ATOM 262 O ASN A 18 -2.564 -6.773 4.596 1.00 0.00 O ATOM 263 CB ASN A 18 -0.305 -5.025 5.614 1.00 0.00 C ATOM 264 CG ASN A 18 -0.425 -5.392 7.095 1.00 0.00 C ATOM 265 OD1 ASN A 18 -0.544 -6.551 7.438 1.00 0.00 O ATOM 266 ND2 ASN A 18 -0.398 -4.445 7.992 1.00 0.00 N ATOM 0 H ASN A 18 1.339 -5.266 3.753 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.051 -7.156 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.581 -4.412 5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.165 -4.431 5.305 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.477 -4.678 8.982 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.298 -3.472 7.703 1.00 0.00 H new ATOM 273 N TYR A 19 -1.505 -6.363 2.716 1.00 0.00 N ATOM 274 CA TYR A 19 -2.754 -6.544 1.924 1.00 0.00 C ATOM 275 C TYR A 19 -2.864 -8.003 1.477 1.00 0.00 C ATOM 276 O TYR A 19 -3.940 -8.563 1.413 1.00 0.00 O ATOM 277 CB TYR A 19 -2.716 -5.633 0.696 1.00 0.00 C ATOM 278 CG TYR A 19 -2.409 -4.219 1.128 1.00 0.00 C ATOM 279 CD1 TYR A 19 -3.223 -3.584 2.074 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.308 -3.544 0.583 1.00 0.00 C ATOM 281 CE1 TYR A 19 -2.938 -2.271 2.474 1.00 0.00 C ATOM 282 CE2 TYR A 19 -1.024 -2.232 0.984 1.00 0.00 C ATOM 283 CZ TYR A 19 -1.838 -1.597 1.930 1.00 0.00 C ATOM 284 OH TYR A 19 -1.558 -0.304 2.325 1.00 0.00 O ATOM 0 H TYR A 19 -0.674 -6.134 2.171 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.617 -6.286 2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.959 -5.983 -0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.673 -5.666 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.070 -4.105 2.495 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.679 -4.035 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.567 -1.779 3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.177 -1.710 0.563 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.212 -0.018 2.996 1.00 0.00 H new ATOM 294 N CYS A 20 -1.757 -8.623 1.168 1.00 0.00 N ATOM 295 CA CYS A 20 -1.800 -10.047 0.728 1.00 0.00 C ATOM 296 C CYS A 20 -2.545 -10.879 1.772 1.00 0.00 C ATOM 297 O CYS A 20 -2.639 -10.508 2.925 1.00 0.00 O ATOM 298 CB CYS A 20 -0.372 -10.576 0.579 1.00 0.00 C ATOM 299 SG CYS A 20 -0.419 -12.361 0.282 1.00 0.00 S ATOM 0 H CYS A 20 -0.827 -8.206 1.201 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.316 -10.118 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.130 -10.072 -0.247 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.203 -10.361 1.480 1.00 0.00 H new ATOM 304 N ASN A 21 -3.076 -12.004 1.377 1.00 0.00 N ATOM 305 CA ASN A 21 -3.815 -12.860 2.348 1.00 0.00 C ATOM 306 C ASN A 21 -3.014 -12.969 3.646 1.00 0.00 C ATOM 307 O ASN A 21 -1.826 -13.233 3.565 1.00 0.00 O ATOM 308 CB ASN A 21 -4.012 -14.254 1.749 1.00 0.00 C ATOM 309 CG ASN A 21 -5.355 -14.822 2.208 1.00 0.00 C ATOM 310 OD1 ASN A 21 -5.406 -15.654 3.093 1.00 0.00 O ATOM 311 ND2 ASN A 21 -6.454 -14.405 1.642 1.00 0.00 N ATOM 312 OXT ASN A 21 -3.602 -12.785 4.699 1.00 0.00 O ATOM 0 H ASN A 21 -3.030 -12.367 0.425 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.787 -12.415 2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.980 -14.201 0.661 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.201 -14.913 2.060 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.355 -14.777 1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.412 -13.707 0.899 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 14.463 -0.678 -2.419 1.00 0.00 N ATOM 321 CA PHE B 1 13.667 -0.203 -3.585 1.00 0.00 C ATOM 322 C PHE B 1 13.861 1.306 -3.756 1.00 0.00 C ATOM 323 O PHE B 1 14.715 1.906 -3.133 1.00 0.00 O ATOM 324 CB PHE B 1 12.185 -0.503 -3.348 1.00 0.00 C ATOM 325 CG PHE B 1 11.964 -1.996 -3.370 1.00 0.00 C ATOM 326 CD1 PHE B 1 12.094 -2.705 -4.572 1.00 0.00 C ATOM 327 CD2 PHE B 1 11.630 -2.673 -2.190 1.00 0.00 C ATOM 328 CE1 PHE B 1 11.889 -4.092 -4.593 1.00 0.00 C ATOM 329 CE2 PHE B 1 11.426 -4.059 -2.210 1.00 0.00 C ATOM 330 CZ PHE B 1 11.555 -4.769 -3.412 1.00 0.00 C ATOM 0 H1 PHE B 1 14.000 -1.508 -1.998 1.00 0.00 H new ATOM 0 H2 PHE B 1 15.419 -0.938 -2.734 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.526 0.080 -1.710 1.00 0.00 H new ATOM 0 HA PHE B 1 14.002 -0.717 -4.486 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.869 -0.092 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.578 -0.023 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.352 -2.183 -5.482 1.00 0.00 H new ATOM 0 HD2 PHE B 1 11.530 -2.126 -1.264 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.988 -4.639 -5.519 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.169 -4.580 -1.300 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.397 -5.837 -3.428 1.00 0.00 H new ATOM 342 N VAL B 2 13.076 1.924 -4.594 1.00 0.00 N ATOM 343 CA VAL B 2 13.216 3.393 -4.802 1.00 0.00 C ATOM 344 C VAL B 2 11.920 4.092 -4.389 1.00 0.00 C ATOM 345 O VAL B 2 10.835 3.638 -4.693 1.00 0.00 O ATOM 346 CB VAL B 2 13.501 3.672 -6.279 1.00 0.00 C ATOM 347 CG1 VAL B 2 14.905 3.177 -6.631 1.00 0.00 C ATOM 348 CG2 VAL B 2 12.472 2.941 -7.143 1.00 0.00 C ATOM 0 H VAL B 2 12.343 1.476 -5.144 1.00 0.00 H new ATOM 0 HA VAL B 2 14.039 3.771 -4.196 1.00 0.00 H new ATOM 0 HB VAL B 2 13.437 4.744 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL B 2 15.108 3.376 -7.683 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.639 3.697 -6.015 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.970 2.105 -6.445 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.674 3.139 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.536 1.869 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.471 3.293 -6.893 1.00 0.00 H new ATOM 358 N ASN B 3 12.024 5.195 -3.699 1.00 0.00 N ATOM 359 CA ASN B 3 10.798 5.922 -3.267 1.00 0.00 C ATOM 360 C ASN B 3 9.817 6.008 -4.438 1.00 0.00 C ATOM 361 O ASN B 3 9.927 6.865 -5.292 1.00 0.00 O ATOM 362 CB ASN B 3 11.174 7.333 -2.811 1.00 0.00 C ATOM 363 CG ASN B 3 12.185 7.935 -3.790 1.00 0.00 C ATOM 364 OD1 ASN B 3 12.189 7.601 -4.958 1.00 0.00 O ATOM 365 ND2 ASN B 3 13.047 8.815 -3.359 1.00 0.00 N ATOM 0 H ASN B 3 12.905 5.624 -3.416 1.00 0.00 H new ATOM 0 HA ASN B 3 10.331 5.387 -2.440 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.283 7.960 -2.761 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.598 7.301 -1.808 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.725 9.223 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.043 9.095 -2.378 1.00 0.00 H new ATOM 372 N GLN B 4 8.855 5.126 -4.482 1.00 0.00 N ATOM 373 CA GLN B 4 7.868 5.158 -5.597 1.00 0.00 C ATOM 374 C GLN B 4 6.452 5.028 -5.028 1.00 0.00 C ATOM 375 O GLN B 4 6.218 4.310 -4.077 1.00 0.00 O ATOM 376 CB GLN B 4 8.142 3.996 -6.554 1.00 0.00 C ATOM 377 CG GLN B 4 7.758 4.402 -7.978 1.00 0.00 C ATOM 378 CD GLN B 4 7.942 3.209 -8.917 1.00 0.00 C ATOM 379 OE1 GLN B 4 8.672 3.289 -9.886 1.00 0.00 O ATOM 380 NE2 GLN B 4 7.305 2.097 -8.672 1.00 0.00 N ATOM 0 H GLN B 4 8.711 4.386 -3.795 1.00 0.00 H new ATOM 0 HA GLN B 4 7.958 6.101 -6.136 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.196 3.721 -6.515 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.572 3.118 -6.249 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.723 4.742 -8.004 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.376 5.237 -8.308 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.692 2.029 -7.859 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.420 1.296 -9.293 1.00 0.00 H new ATOM 389 N HIS B 5 5.507 5.721 -5.603 1.00 0.00 N ATOM 390 CA HIS B 5 4.107 5.640 -5.098 1.00 0.00 C ATOM 391 C HIS B 5 3.315 4.655 -5.958 1.00 0.00 C ATOM 392 O HIS B 5 3.160 4.842 -7.149 1.00 0.00 O ATOM 393 CB HIS B 5 3.457 7.024 -5.170 1.00 0.00 C ATOM 394 CG HIS B 5 4.497 8.083 -4.924 1.00 0.00 C ATOM 395 ND1 HIS B 5 5.555 8.266 -5.788 1.00 0.00 N ATOM 396 CD2 HIS B 5 4.631 8.997 -3.913 1.00 0.00 C ATOM 397 CE1 HIS B 5 6.292 9.269 -5.289 1.00 0.00 C ATOM 398 NE2 HIS B 5 5.766 9.748 -4.142 1.00 0.00 N ATOM 0 H HIS B 5 5.644 6.340 -6.402 1.00 0.00 H new ATOM 0 HA HIS B 5 4.111 5.297 -4.063 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.998 7.171 -6.148 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.661 7.102 -4.429 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.959 9.111 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS B 5 7.194 9.646 -5.748 1.00 0.00 H new ATOM 0 HE2 HIS B 5 6.131 10.506 -3.565 1.00 0.00 H new ATOM 406 N LEU B 6 2.817 3.602 -5.369 1.00 0.00 N ATOM 407 CA LEU B 6 2.045 2.603 -6.150 1.00 0.00 C ATOM 408 C LEU B 6 0.605 3.093 -6.323 1.00 0.00 C ATOM 409 O LEU B 6 0.118 3.905 -5.562 1.00 0.00 O ATOM 410 CB LEU B 6 2.043 1.271 -5.393 1.00 0.00 C ATOM 411 CG LEU B 6 3.333 0.485 -5.670 1.00 0.00 C ATOM 412 CD1 LEU B 6 3.658 0.513 -7.165 1.00 0.00 C ATOM 413 CD2 LEU B 6 4.494 1.103 -4.886 1.00 0.00 C ATOM 0 H LEU B 6 2.914 3.393 -4.375 1.00 0.00 H new ATOM 0 HA LEU B 6 2.501 2.469 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.947 1.456 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.179 0.678 -5.693 1.00 0.00 H new ATOM 0 HG LEU B 6 3.188 -0.548 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.575 -0.048 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.838 0.062 -7.724 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.793 1.545 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.407 0.542 -5.086 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.630 2.140 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.272 1.068 -3.819 1.00 0.00 H new ATOM 425 N CYS B 7 -0.081 2.604 -7.322 1.00 0.00 N ATOM 426 CA CYS B 7 -1.490 3.039 -7.546 1.00 0.00 C ATOM 427 C CYS B 7 -2.073 2.275 -8.738 1.00 0.00 C ATOM 428 O CYS B 7 -1.757 2.551 -9.878 1.00 0.00 O ATOM 429 CB CYS B 7 -1.521 4.541 -7.836 1.00 0.00 C ATOM 430 SG CYS B 7 -3.130 5.214 -7.353 1.00 0.00 S ATOM 0 H CYS B 7 0.274 1.922 -7.992 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.082 2.831 -6.655 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.725 5.045 -7.288 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.342 4.722 -8.896 1.00 0.00 H new ATOM 435 N GLY B 8 -2.922 1.317 -8.483 1.00 0.00 N ATOM 436 CA GLY B 8 -3.526 0.538 -9.603 1.00 0.00 C ATOM 437 C GLY B 8 -2.887 -0.853 -9.661 1.00 0.00 C ATOM 438 O GLY B 8 -2.414 -1.369 -8.669 1.00 0.00 O ATOM 0 H GLY B 8 -3.224 1.040 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.603 0.449 -9.459 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.372 1.060 -10.547 1.00 0.00 H new ATOM 442 N SER B 9 -2.871 -1.463 -10.815 1.00 0.00 N ATOM 443 CA SER B 9 -2.263 -2.819 -10.931 1.00 0.00 C ATOM 444 C SER B 9 -0.880 -2.812 -10.281 1.00 0.00 C ATOM 445 O SER B 9 -0.370 -3.835 -9.872 1.00 0.00 O ATOM 446 CB SER B 9 -2.133 -3.198 -12.407 1.00 0.00 C ATOM 447 OG SER B 9 -1.360 -2.212 -13.078 1.00 0.00 O ATOM 0 H SER B 9 -3.252 -1.082 -11.681 1.00 0.00 H new ATOM 0 HA SER B 9 -2.899 -3.547 -10.427 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.660 -4.175 -12.503 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.120 -3.275 -12.863 1.00 0.00 H new ATOM 0 HG SER B 9 -1.273 -2.452 -14.024 1.00 0.00 H new ATOM 453 N ASP B 10 -0.275 -1.665 -10.173 1.00 0.00 N ATOM 454 CA ASP B 10 1.064 -1.589 -9.542 1.00 0.00 C ATOM 455 C ASP B 10 0.972 -2.126 -8.114 1.00 0.00 C ATOM 456 O ASP B 10 1.950 -2.550 -7.530 1.00 0.00 O ATOM 457 CB ASP B 10 1.522 -0.131 -9.522 1.00 0.00 C ATOM 458 CG ASP B 10 1.125 0.551 -10.833 1.00 0.00 C ATOM 459 OD1 ASP B 10 1.081 -0.133 -11.843 1.00 0.00 O ATOM 460 OD2 ASP B 10 0.871 1.743 -10.804 1.00 0.00 O ATOM 0 H ASP B 10 -0.653 -0.775 -10.496 1.00 0.00 H new ATOM 0 HA ASP B 10 1.782 -2.185 -10.106 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.071 0.391 -8.678 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.602 -0.081 -9.387 1.00 0.00 H new ATOM 465 N LEU B 11 -0.205 -2.117 -7.551 1.00 0.00 N ATOM 466 CA LEU B 11 -0.378 -2.630 -6.165 1.00 0.00 C ATOM 467 C LEU B 11 -0.176 -4.144 -6.158 1.00 0.00 C ATOM 468 O LEU B 11 0.615 -4.669 -5.401 1.00 0.00 O ATOM 469 CB LEU B 11 -1.788 -2.300 -5.676 1.00 0.00 C ATOM 470 CG LEU B 11 -1.748 -1.073 -4.763 1.00 0.00 C ATOM 471 CD1 LEU B 11 -0.977 -1.410 -3.485 1.00 0.00 C ATOM 472 CD2 LEU B 11 -1.054 0.085 -5.486 1.00 0.00 C ATOM 0 H LEU B 11 -1.057 -1.775 -7.994 1.00 0.00 H new ATOM 0 HA LEU B 11 0.354 -2.163 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.442 -2.110 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.204 -3.151 -5.138 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.767 -0.782 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.949 -0.535 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.473 -2.231 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.041 -1.704 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.027 0.958 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.036 -0.206 -5.745 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.604 0.329 -6.395 1.00 0.00 H new ATOM 484 N VAL B 12 -0.881 -4.855 -6.997 1.00 0.00 N ATOM 485 CA VAL B 12 -0.710 -6.332 -7.023 1.00 0.00 C ATOM 486 C VAL B 12 0.720 -6.653 -7.433 1.00 0.00 C ATOM 487 O VAL B 12 1.188 -7.755 -7.250 1.00 0.00 O ATOM 488 CB VAL B 12 -1.692 -6.963 -8.016 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.057 -6.306 -7.857 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.198 -6.763 -9.453 1.00 0.00 C ATOM 0 H VAL B 12 -1.561 -4.480 -7.658 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.912 -6.740 -6.033 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.765 -8.031 -7.813 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.759 -6.751 -8.561 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.418 -6.458 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.972 -5.238 -8.056 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -1.905 -7.216 -10.147 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.115 -5.697 -9.664 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.222 -7.233 -9.571 1.00 0.00 H new ATOM 500 N GLU B 13 1.425 -5.692 -7.969 1.00 0.00 N ATOM 501 CA GLU B 13 2.833 -5.942 -8.374 1.00 0.00 C ATOM 502 C GLU B 13 3.659 -6.069 -7.104 1.00 0.00 C ATOM 503 O GLU B 13 4.467 -6.963 -6.956 1.00 0.00 O ATOM 504 CB GLU B 13 3.349 -4.771 -9.213 1.00 0.00 C ATOM 505 CG GLU B 13 4.578 -5.218 -10.006 1.00 0.00 C ATOM 506 CD GLU B 13 5.178 -4.016 -10.740 1.00 0.00 C ATOM 507 OE1 GLU B 13 4.465 -3.042 -10.921 1.00 0.00 O ATOM 508 OE2 GLU B 13 6.338 -4.091 -11.109 1.00 0.00 O ATOM 0 H GLU B 13 1.084 -4.746 -8.142 1.00 0.00 H new ATOM 0 HA GLU B 13 2.904 -6.850 -8.972 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.570 -4.425 -9.892 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.605 -3.931 -8.567 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.318 -5.654 -9.335 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.301 -5.993 -10.721 1.00 0.00 H new ATOM 515 N ALA B 14 3.432 -5.189 -6.171 1.00 0.00 N ATOM 516 CA ALA B 14 4.169 -5.264 -4.889 1.00 0.00 C ATOM 517 C ALA B 14 3.798 -6.583 -4.212 1.00 0.00 C ATOM 518 O ALA B 14 4.637 -7.289 -3.684 1.00 0.00 O ATOM 519 CB ALA B 14 3.749 -4.091 -4.007 1.00 0.00 C ATOM 0 H ALA B 14 2.765 -4.421 -6.245 1.00 0.00 H new ATOM 0 HA ALA B 14 5.246 -5.217 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.286 -4.137 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.983 -3.154 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.677 -4.143 -3.819 1.00 0.00 H new ATOM 525 N LEU B 15 2.538 -6.928 -4.249 1.00 0.00 N ATOM 526 CA LEU B 15 2.094 -8.206 -3.634 1.00 0.00 C ATOM 527 C LEU B 15 2.580 -9.361 -4.505 1.00 0.00 C ATOM 528 O LEU B 15 3.058 -10.367 -4.020 1.00 0.00 O ATOM 529 CB LEU B 15 0.566 -8.228 -3.544 1.00 0.00 C ATOM 530 CG LEU B 15 0.080 -6.949 -2.858 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.204 -6.461 -3.529 1.00 0.00 C ATOM 532 CD2 LEU B 15 -0.197 -7.238 -1.380 1.00 0.00 C ATOM 0 H LEU B 15 1.797 -6.376 -4.681 1.00 0.00 H new ATOM 0 HA LEU B 15 2.507 -8.302 -2.630 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.133 -8.306 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.236 -9.103 -2.983 1.00 0.00 H new ATOM 0 HG LEU B 15 0.847 -6.180 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.547 -5.550 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.009 -6.255 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.972 -7.230 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.543 -6.328 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.963 -8.009 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.718 -7.583 -0.899 1.00 0.00 H new ATOM 544 N TYR B 16 2.465 -9.210 -5.791 1.00 0.00 N ATOM 545 CA TYR B 16 2.926 -10.278 -6.725 1.00 0.00 C ATOM 546 C TYR B 16 4.239 -10.879 -6.234 1.00 0.00 C ATOM 547 O TYR B 16 4.321 -12.033 -5.865 1.00 0.00 O ATOM 548 CB TYR B 16 3.197 -9.667 -8.100 1.00 0.00 C ATOM 549 CG TYR B 16 2.737 -10.610 -9.180 1.00 0.00 C ATOM 550 CD1 TYR B 16 3.209 -11.928 -9.213 1.00 0.00 C ATOM 551 CD2 TYR B 16 1.837 -10.162 -10.152 1.00 0.00 C ATOM 552 CE1 TYR B 16 2.776 -12.800 -10.221 1.00 0.00 C ATOM 553 CE2 TYR B 16 1.404 -11.032 -11.161 1.00 0.00 C ATOM 554 CZ TYR B 16 1.873 -12.351 -11.196 1.00 0.00 C ATOM 555 OH TYR B 16 1.447 -13.208 -12.190 1.00 0.00 O ATOM 0 H TYR B 16 2.068 -8.386 -6.243 1.00 0.00 H new ATOM 0 HA TYR B 16 2.152 -11.044 -6.777 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.677 -8.713 -8.192 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.262 -9.462 -8.213 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.906 -12.272 -8.463 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.476 -9.145 -10.125 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.137 -13.817 -10.247 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.709 -10.686 -11.911 1.00 0.00 H new ATOM 0 HH TYR B 16 0.823 -12.738 -12.782 1.00 0.00 H new ATOM 565 N LEU B 17 5.275 -10.095 -6.281 1.00 0.00 N ATOM 566 CA LEU B 17 6.620 -10.575 -5.881 1.00 0.00 C ATOM 567 C LEU B 17 6.652 -11.044 -4.420 1.00 0.00 C ATOM 568 O LEU B 17 7.228 -12.070 -4.117 1.00 0.00 O ATOM 569 CB LEU B 17 7.614 -9.437 -6.082 1.00 0.00 C ATOM 570 CG LEU B 17 8.924 -10.001 -6.627 1.00 0.00 C ATOM 571 CD1 LEU B 17 9.882 -8.853 -6.941 1.00 0.00 C ATOM 572 CD2 LEU B 17 9.550 -10.924 -5.580 1.00 0.00 C ATOM 0 H LEU B 17 5.244 -9.122 -6.586 1.00 0.00 H new ATOM 0 HA LEU B 17 6.883 -11.434 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.206 -8.701 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.791 -8.923 -5.137 1.00 0.00 H new ATOM 0 HG LEU B 17 8.730 -10.565 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU B 17 10.817 -9.256 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.432 -8.197 -7.686 1.00 0.00 H new ATOM 0 HD13 LEU B 17 10.081 -8.286 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU B 17 10.486 -11.329 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.747 -10.360 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.864 -11.742 -5.359 1.00 0.00 H new ATOM 584 N VAL B 18 6.063 -10.320 -3.504 1.00 0.00 N ATOM 585 CA VAL B 18 6.115 -10.781 -2.084 1.00 0.00 C ATOM 586 C VAL B 18 5.220 -12.002 -1.915 1.00 0.00 C ATOM 587 O VAL B 18 5.612 -13.008 -1.357 1.00 0.00 O ATOM 588 CB VAL B 18 5.642 -9.670 -1.150 1.00 0.00 C ATOM 589 CG1 VAL B 18 6.548 -8.452 -1.308 1.00 0.00 C ATOM 590 CG2 VAL B 18 4.210 -9.282 -1.497 1.00 0.00 C ATOM 0 H VAL B 18 5.559 -9.449 -3.671 1.00 0.00 H new ATOM 0 HA VAL B 18 7.144 -11.040 -1.833 1.00 0.00 H new ATOM 0 HB VAL B 18 5.682 -10.025 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.210 -7.659 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.573 -8.726 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.509 -8.101 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.876 -8.489 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.168 -8.929 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.560 -10.150 -1.384 1.00 0.00 H new ATOM 600 N CYS B 19 4.026 -11.918 -2.404 1.00 0.00 N ATOM 601 CA CYS B 19 3.086 -13.063 -2.296 1.00 0.00 C ATOM 602 C CYS B 19 2.966 -13.726 -3.667 1.00 0.00 C ATOM 603 O CYS B 19 3.469 -14.808 -3.893 1.00 0.00 O ATOM 604 CB CYS B 19 1.716 -12.550 -1.850 1.00 0.00 C ATOM 605 SG CYS B 19 1.506 -12.853 -0.079 1.00 0.00 S ATOM 0 H CYS B 19 3.652 -11.097 -2.880 1.00 0.00 H new ATOM 0 HA CYS B 19 3.453 -13.785 -1.567 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.629 -11.484 -2.060 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.928 -13.051 -2.412 1.00 0.00 H new ATOM 610 N GLY B 20 2.317 -13.073 -4.589 1.00 0.00 N ATOM 611 CA GLY B 20 2.179 -13.652 -5.951 1.00 0.00 C ATOM 612 C GLY B 20 1.152 -14.786 -5.939 1.00 0.00 C ATOM 613 O GLY B 20 -0.016 -14.578 -5.677 1.00 0.00 O ATOM 0 H GLY B 20 1.876 -12.163 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.870 -12.878 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.143 -14.028 -6.294 1.00 0.00 H new ATOM 617 N GLU B 21 1.578 -15.985 -6.232 1.00 0.00 N ATOM 618 CA GLU B 21 0.629 -17.134 -6.250 1.00 0.00 C ATOM 619 C GLU B 21 -0.073 -17.253 -4.896 1.00 0.00 C ATOM 620 O GLU B 21 -1.085 -17.912 -4.769 1.00 0.00 O ATOM 621 CB GLU B 21 1.396 -18.424 -6.544 1.00 0.00 C ATOM 622 CG GLU B 21 0.620 -19.258 -7.567 1.00 0.00 C ATOM 623 CD GLU B 21 0.742 -20.742 -7.215 1.00 0.00 C ATOM 624 OE1 GLU B 21 1.518 -21.057 -6.328 1.00 0.00 O ATOM 625 OE2 GLU B 21 0.057 -21.536 -7.838 1.00 0.00 O ATOM 0 H GLU B 21 2.544 -16.218 -6.460 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.119 -16.969 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.389 -18.190 -6.928 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.536 -18.994 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.429 -18.960 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.009 -19.078 -8.569 1.00 0.00 H new ATOM 632 N ARG B 22 0.451 -16.619 -3.884 1.00 0.00 N ATOM 633 CA ARG B 22 -0.188 -16.695 -2.548 1.00 0.00 C ATOM 634 C ARG B 22 -1.616 -16.155 -2.636 1.00 0.00 C ATOM 635 O ARG B 22 -2.430 -16.374 -1.761 1.00 0.00 O ATOM 636 CB ARG B 22 0.624 -15.853 -1.569 1.00 0.00 C ATOM 637 CG ARG B 22 2.082 -16.316 -1.586 1.00 0.00 C ATOM 638 CD ARG B 22 2.143 -17.818 -1.307 1.00 0.00 C ATOM 639 NE ARG B 22 3.096 -18.080 -0.192 1.00 0.00 N ATOM 640 CZ ARG B 22 2.719 -18.789 0.837 1.00 0.00 C ATOM 641 NH1 ARG B 22 2.136 -19.942 0.657 1.00 0.00 N ATOM 642 NH2 ARG B 22 2.927 -18.345 2.047 1.00 0.00 N ATOM 0 H ARG B 22 1.297 -16.051 -3.928 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.220 -17.729 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.563 -14.799 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.213 -15.947 -0.564 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.533 -16.096 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.656 -15.772 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.152 -18.191 -1.047 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.460 -18.352 -2.203 1.00 0.00 H new ATOM 0 HE ARG B 22 4.044 -17.705 -0.233 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.975 -20.290 -0.288 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.842 -20.496 1.461 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.384 -17.444 2.188 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.632 -18.899 2.851 1.00 0.00 H new ATOM 656 N GLY B 23 -1.924 -15.454 -3.691 1.00 0.00 N ATOM 657 CA GLY B 23 -3.299 -14.899 -3.846 1.00 0.00 C ATOM 658 C GLY B 23 -3.477 -13.693 -2.921 1.00 0.00 C ATOM 659 O GLY B 23 -4.222 -13.739 -1.964 1.00 0.00 O ATOM 0 H GLY B 23 -1.282 -15.241 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.467 -14.603 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.039 -15.664 -3.609 1.00 0.00 H new ATOM 663 N PHE B 24 -2.800 -12.613 -3.200 1.00 0.00 N ATOM 664 CA PHE B 24 -2.934 -11.410 -2.338 1.00 0.00 C ATOM 665 C PHE B 24 -4.410 -11.021 -2.232 1.00 0.00 C ATOM 666 O PHE B 24 -5.251 -11.544 -2.936 1.00 0.00 O ATOM 667 CB PHE B 24 -2.138 -10.249 -2.942 1.00 0.00 C ATOM 668 CG PHE B 24 -2.114 -10.358 -4.449 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.316 -10.446 -5.167 1.00 0.00 C ATOM 670 CD2 PHE B 24 -0.889 -10.371 -5.131 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.290 -10.548 -6.564 1.00 0.00 C ATOM 672 CE2 PHE B 24 -0.865 -10.474 -6.528 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.066 -10.562 -7.244 1.00 0.00 C ATOM 0 H PHE B 24 -2.160 -12.514 -3.988 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.545 -11.632 -1.345 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.585 -9.300 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.120 -10.256 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.260 -10.435 -4.643 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.037 -10.302 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.215 -10.616 -7.117 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.079 -10.486 -7.053 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.048 -10.641 -8.321 1.00 0.00 H new ATOM 683 N PHE B 25 -4.732 -10.109 -1.355 1.00 0.00 N ATOM 684 CA PHE B 25 -6.153 -9.692 -1.202 1.00 0.00 C ATOM 685 C PHE B 25 -6.323 -8.254 -1.700 1.00 0.00 C ATOM 686 O PHE B 25 -7.101 -7.489 -1.166 1.00 0.00 O ATOM 687 CB PHE B 25 -6.547 -9.775 0.276 1.00 0.00 C ATOM 688 CG PHE B 25 -7.965 -9.285 0.451 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.984 -9.773 -0.376 1.00 0.00 C ATOM 690 CD2 PHE B 25 -8.259 -8.341 1.443 1.00 0.00 C ATOM 691 CE1 PHE B 25 -10.299 -9.317 -0.212 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.574 -7.885 1.608 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.594 -8.373 0.781 1.00 0.00 C ATOM 0 H PHE B 25 -4.072 -9.635 -0.738 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.793 -10.352 -1.788 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.461 -10.803 0.629 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.867 -9.173 0.878 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.757 -10.501 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.473 -7.965 2.081 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.085 -9.693 -0.851 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.801 -7.157 2.373 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.607 -8.022 0.909 1.00 0.00 H new ATOM 703 N TYR B 26 -5.602 -7.879 -2.721 1.00 0.00 N ATOM 704 CA TYR B 26 -5.726 -6.492 -3.251 1.00 0.00 C ATOM 705 C TYR B 26 -7.081 -6.331 -3.929 1.00 0.00 C ATOM 706 O TYR B 26 -7.818 -7.279 -4.114 1.00 0.00 O ATOM 707 CB TYR B 26 -4.609 -6.233 -4.268 1.00 0.00 C ATOM 708 CG TYR B 26 -4.856 -4.952 -5.025 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.573 -3.718 -4.426 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.368 -4.998 -6.328 1.00 0.00 C ATOM 711 CE1 TYR B 26 -4.804 -2.528 -5.131 1.00 0.00 C ATOM 712 CE2 TYR B 26 -5.598 -3.810 -7.032 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.316 -2.575 -6.435 1.00 0.00 C ATOM 714 OH TYR B 26 -5.543 -1.403 -7.129 1.00 0.00 O ATOM 0 H TYR B 26 -4.933 -8.473 -3.211 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.642 -5.778 -2.432 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.650 -6.177 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.548 -7.067 -4.967 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.177 -3.683 -3.422 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.585 -5.950 -6.790 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.588 -1.576 -4.670 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.993 -3.846 -8.036 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.898 -1.613 -8.018 1.00 0.00 H new ATOM 724 N THR B 27 -7.411 -5.133 -4.295 1.00 0.00 N ATOM 725 CA THR B 27 -8.711 -4.879 -4.959 1.00 0.00 C ATOM 726 C THR B 27 -8.618 -5.269 -6.435 1.00 0.00 C ATOM 727 O THR B 27 -7.705 -5.956 -6.849 1.00 0.00 O ATOM 728 CB THR B 27 -9.033 -3.392 -4.841 1.00 0.00 C ATOM 729 OG1 THR B 27 -8.223 -2.658 -5.748 1.00 0.00 O ATOM 730 CG2 THR B 27 -8.762 -2.919 -3.412 1.00 0.00 C ATOM 0 H THR B 27 -6.828 -4.307 -4.161 1.00 0.00 H new ATOM 0 HA THR B 27 -9.495 -5.470 -4.485 1.00 0.00 H new ATOM 0 HB THR B 27 -10.084 -3.229 -5.080 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.344 -3.085 -5.820 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.993 -1.857 -3.330 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.388 -3.481 -2.718 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.712 -3.082 -3.168 1.00 0.00 H new ATOM 738 N LYS B 28 -9.556 -4.837 -7.234 1.00 0.00 N ATOM 739 CA LYS B 28 -9.519 -5.187 -8.680 1.00 0.00 C ATOM 740 C LYS B 28 -8.759 -4.097 -9.449 1.00 0.00 C ATOM 741 O LYS B 28 -8.226 -3.181 -8.856 1.00 0.00 O ATOM 742 CB LYS B 28 -10.948 -5.308 -9.211 1.00 0.00 C ATOM 743 CG LYS B 28 -11.174 -6.713 -9.777 1.00 0.00 C ATOM 744 CD LYS B 28 -12.465 -7.293 -9.196 1.00 0.00 C ATOM 745 CE LYS B 28 -12.145 -8.562 -8.402 1.00 0.00 C ATOM 746 NZ LYS B 28 -11.681 -9.628 -9.334 1.00 0.00 N ATOM 0 H LYS B 28 -10.345 -4.258 -6.947 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.008 -6.140 -8.816 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.661 -5.109 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.122 -4.561 -9.986 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.237 -6.673 -10.864 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.330 -7.357 -9.530 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.947 -6.559 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.167 -7.521 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.376 -8.354 -7.658 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.029 -8.897 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.818 -10.559 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.229 -9.580 -10.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.672 -9.490 -9.544 1.00 0.00 H new ATOM 760 N PRO B 29 -8.712 -4.249 -10.747 1.00 0.00 N ATOM 761 CA PRO B 29 -8.004 -3.319 -11.637 1.00 0.00 C ATOM 762 C PRO B 29 -8.918 -2.157 -12.037 1.00 0.00 C ATOM 763 O PRO B 29 -9.695 -2.259 -12.965 1.00 0.00 O ATOM 764 CB PRO B 29 -7.666 -4.195 -12.849 1.00 0.00 C ATOM 765 CG PRO B 29 -8.675 -5.375 -12.836 1.00 0.00 C ATOM 766 CD PRO B 29 -9.357 -5.366 -11.453 1.00 0.00 C ATOM 0 HA PRO B 29 -7.126 -2.863 -11.181 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -7.748 -3.625 -13.774 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -6.641 -4.561 -12.789 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.412 -5.261 -13.631 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.164 -6.322 -13.008 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.433 -5.216 -11.539 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.208 -6.310 -10.928 1.00 0.00 H new ATOM 774 N THR B 30 -8.830 -1.055 -11.346 1.00 0.00 N ATOM 775 CA THR B 30 -9.692 0.110 -11.688 1.00 0.00 C ATOM 776 C THR B 30 -9.591 0.395 -13.188 1.00 0.00 C ATOM 777 O THR B 30 -10.511 0.038 -13.903 1.00 0.00 O ATOM 778 CB THR B 30 -9.228 1.339 -10.904 1.00 0.00 C ATOM 779 OG1 THR B 30 -9.269 1.052 -9.512 1.00 0.00 O ATOM 780 CG2 THR B 30 -10.150 2.520 -11.210 1.00 0.00 C ATOM 781 OXT THR B 30 -8.592 0.965 -13.596 1.00 0.00 O ATOM 0 H THR B 30 -8.198 -0.911 -10.559 1.00 0.00 H new ATOM 0 HA THR B 30 -10.726 -0.116 -11.428 1.00 0.00 H new ATOM 0 HB THR B 30 -8.209 1.593 -11.194 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.971 1.837 -9.007 1.00 0.00 H new ATOM 0 HG21 THR B 30 -9.818 3.395 -10.651 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.119 2.738 -12.277 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.170 2.270 -10.920 1.00 0.00 H new TER 789 THR B 30