USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 368 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0619 X(o=-0.062,f=-0.37) USER MOD Single : A 8 THR OG1 : rot 151:sc= -2.66! USER MOD Single : A 9 SER OG : rot -23:sc= 0.546 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 15 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.3!) USER MOD Single : A 18 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 21 ASN : amide:sc= -1.04 K(o=-1,f=0.76) USER MOD Single : B 1 PHE N :NH3+ -154:sc= -0.947 (180deg=-1.31!) USER MOD Single : B 3 ASN : amide:sc= 0.491 K(o=0.49,f=-0.32) USER MOD Single : B 4 GLN : amide:sc= -0.081 X(o=-0.081,f=-0.38) USER MOD Single : B 5 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-4.7!) USER MOD Single : B 9 SER OG : rot 180:sc=2.02e-05 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 110:sc= -3.2! USER MOD Single : B 27 THR OG1 : rot 145:sc= -1.83! USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.437 4.803 5.116 1.00 0.00 N ATOM 2 CA GLY A 1 -6.954 4.751 4.749 1.00 0.00 C ATOM 3 C GLY A 1 -6.550 4.241 3.408 1.00 0.00 C ATOM 4 O GLY A 1 -5.494 3.661 3.245 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.543 5.181 6.079 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.939 5.419 4.445 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.839 3.845 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.557 5.761 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.453 4.137 5.497 1.00 0.00 H new ATOM 10 N ILE A 2 -7.373 4.439 2.415 1.00 0.00 N ATOM 11 CA ILE A 2 -7.027 3.951 1.052 1.00 0.00 C ATOM 12 C ILE A 2 -6.590 5.130 0.180 1.00 0.00 C ATOM 13 O ILE A 2 -5.436 5.509 0.163 1.00 0.00 O ATOM 14 CB ILE A 2 -8.248 3.272 0.431 1.00 0.00 C ATOM 15 CG1 ILE A 2 -8.630 2.049 1.269 1.00 0.00 C ATOM 16 CG2 ILE A 2 -7.915 2.830 -0.993 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.506 1.013 1.208 1.00 0.00 C ATOM 0 H ILE A 2 -8.270 4.918 2.490 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.209 3.233 1.118 1.00 0.00 H new ATOM 0 HB ILE A 2 -9.083 3.973 0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.809 2.345 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.558 1.616 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.785 2.346 -1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.641 3.700 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.081 2.128 -0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -7.780 0.143 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.348 0.708 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.588 1.449 1.602 1.00 0.00 H new ATOM 29 N VAL A 3 -7.504 5.715 -0.540 1.00 0.00 N ATOM 30 CA VAL A 3 -7.149 6.870 -1.406 1.00 0.00 C ATOM 31 C VAL A 3 -6.621 7.995 -0.523 1.00 0.00 C ATOM 32 O VAL A 3 -5.569 8.553 -0.758 1.00 0.00 O ATOM 33 CB VAL A 3 -8.407 7.311 -2.182 1.00 0.00 C ATOM 34 CG1 VAL A 3 -8.539 8.840 -2.237 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.324 6.768 -3.608 1.00 0.00 C ATOM 0 H VAL A 3 -8.486 5.441 -0.566 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.376 6.600 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.280 6.916 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.438 9.108 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.607 9.236 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.666 9.263 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.209 7.074 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.433 7.162 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.271 5.680 -3.580 1.00 0.00 H new ATOM 45 N GLU A 4 -7.356 8.325 0.491 1.00 0.00 N ATOM 46 CA GLU A 4 -6.917 9.414 1.404 1.00 0.00 C ATOM 47 C GLU A 4 -5.503 9.119 1.907 1.00 0.00 C ATOM 48 O GLU A 4 -4.808 9.994 2.382 1.00 0.00 O ATOM 49 CB GLU A 4 -7.866 9.503 2.600 1.00 0.00 C ATOM 50 CG GLU A 4 -9.288 9.788 2.118 1.00 0.00 C ATOM 51 CD GLU A 4 -10.266 9.578 3.274 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.809 9.250 4.357 1.00 0.00 O ATOM 53 OE2 GLU A 4 -11.454 9.749 3.060 1.00 0.00 O ATOM 0 H GLU A 4 -8.246 7.889 0.732 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.927 10.360 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.844 8.570 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.538 10.291 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.360 10.810 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.542 9.129 1.288 1.00 0.00 H new ATOM 60 N GLN A 5 -5.079 7.890 1.820 1.00 0.00 N ATOM 61 CA GLN A 5 -3.717 7.537 2.309 1.00 0.00 C ATOM 62 C GLN A 5 -2.765 7.311 1.135 1.00 0.00 C ATOM 63 O GLN A 5 -1.667 7.832 1.105 1.00 0.00 O ATOM 64 CB GLN A 5 -3.799 6.264 3.154 1.00 0.00 C ATOM 65 CG GLN A 5 -2.570 6.174 4.061 1.00 0.00 C ATOM 66 CD GLN A 5 -2.879 6.828 5.409 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.885 6.532 6.026 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.051 7.710 5.898 1.00 0.00 N ATOM 0 H GLN A 5 -5.616 7.115 1.432 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.335 8.360 2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.708 6.272 3.755 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.852 5.388 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.289 5.131 4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.721 6.670 3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.207 7.959 5.382 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.247 8.151 6.797 1.00 0.00 H new ATOM 77 N CYS A 6 -3.165 6.527 0.180 1.00 0.00 N ATOM 78 CA CYS A 6 -2.268 6.249 -0.981 1.00 0.00 C ATOM 79 C CYS A 6 -2.549 7.217 -2.129 1.00 0.00 C ATOM 80 O CYS A 6 -1.722 7.417 -2.992 1.00 0.00 O ATOM 81 CB CYS A 6 -2.486 4.820 -1.467 1.00 0.00 C ATOM 82 SG CYS A 6 -1.721 3.661 -0.305 1.00 0.00 S ATOM 0 H CYS A 6 -4.073 6.064 0.148 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.236 6.379 -0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.553 4.613 -1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.055 4.693 -2.460 1.00 0.00 H new ATOM 87 N CYS A 7 -3.702 7.817 -2.158 1.00 0.00 N ATOM 88 CA CYS A 7 -4.003 8.766 -3.265 1.00 0.00 C ATOM 89 C CYS A 7 -3.501 10.155 -2.879 1.00 0.00 C ATOM 90 O CYS A 7 -2.704 10.757 -3.571 1.00 0.00 O ATOM 91 CB CYS A 7 -5.511 8.818 -3.501 1.00 0.00 C ATOM 92 SG CYS A 7 -5.860 9.663 -5.065 1.00 0.00 S ATOM 0 H CYS A 7 -4.445 7.694 -1.470 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.508 8.434 -4.178 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.920 7.808 -3.524 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.999 9.340 -2.678 1.00 0.00 H new ATOM 97 N THR A 8 -3.962 10.664 -1.772 1.00 0.00 N ATOM 98 CA THR A 8 -3.517 12.010 -1.325 1.00 0.00 C ATOM 99 C THR A 8 -2.001 12.005 -1.123 1.00 0.00 C ATOM 100 O THR A 8 -1.372 13.041 -1.032 1.00 0.00 O ATOM 101 CB THR A 8 -4.204 12.348 -0.001 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.085 11.292 0.354 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.997 13.646 -0.149 1.00 0.00 C ATOM 0 H THR A 8 -4.631 10.203 -1.155 1.00 0.00 H new ATOM 0 HA THR A 8 -3.779 12.753 -2.078 1.00 0.00 H new ATOM 0 HB THR A 8 -3.451 12.474 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.167 11.249 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.485 13.884 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.321 14.456 -0.422 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.751 13.525 -0.927 1.00 0.00 H new ATOM 111 N SER A 9 -1.409 10.844 -1.043 1.00 0.00 N ATOM 112 CA SER A 9 0.067 10.773 -0.837 1.00 0.00 C ATOM 113 C SER A 9 0.613 9.430 -1.333 1.00 0.00 C ATOM 114 O SER A 9 -0.042 8.704 -2.051 1.00 0.00 O ATOM 115 CB SER A 9 0.376 10.929 0.650 1.00 0.00 C ATOM 116 OG SER A 9 -0.208 12.134 1.124 1.00 0.00 O ATOM 0 H SER A 9 -1.882 9.943 -1.111 1.00 0.00 H new ATOM 0 HA SER A 9 0.542 11.575 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.016 10.077 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.454 10.946 0.810 1.00 0.00 H new ATOM 0 HG SER A 9 -0.340 12.751 0.374 1.00 0.00 H new ATOM 122 N ILE A 10 1.822 9.114 -0.961 1.00 0.00 N ATOM 123 CA ILE A 10 2.454 7.839 -1.408 1.00 0.00 C ATOM 124 C ILE A 10 2.181 6.717 -0.399 1.00 0.00 C ATOM 125 O ILE A 10 2.483 5.567 -0.652 1.00 0.00 O ATOM 126 CB ILE A 10 3.960 8.050 -1.497 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.280 8.987 -2.662 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.642 6.703 -1.712 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.018 10.436 -2.238 1.00 0.00 C ATOM 0 H ILE A 10 2.407 9.692 -0.358 1.00 0.00 H new ATOM 0 HA ILE A 10 2.038 7.558 -2.375 1.00 0.00 H new ATOM 0 HB ILE A 10 4.324 8.498 -0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.321 8.867 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.666 8.733 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.720 6.847 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.414 6.042 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.280 6.255 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.246 11.105 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.971 10.549 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.651 10.686 -1.386 1.00 0.00 H new ATOM 141 N CYS A 11 1.653 7.050 0.743 1.00 0.00 N ATOM 142 CA CYS A 11 1.386 6.020 1.796 1.00 0.00 C ATOM 143 C CYS A 11 2.555 5.038 1.860 1.00 0.00 C ATOM 144 O CYS A 11 3.621 5.295 1.339 1.00 0.00 O ATOM 145 CB CYS A 11 0.068 5.276 1.517 1.00 0.00 C ATOM 146 SG CYS A 11 0.154 4.371 -0.047 1.00 0.00 S ATOM 0 H CYS A 11 1.390 8.002 1.000 1.00 0.00 H new ATOM 0 HA CYS A 11 1.287 6.521 2.759 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.142 4.583 2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.756 5.988 1.484 1.00 0.00 H new ATOM 151 N SER A 12 2.381 3.929 2.519 1.00 0.00 N ATOM 152 CA SER A 12 3.509 2.959 2.630 1.00 0.00 C ATOM 153 C SER A 12 3.238 1.717 1.784 1.00 0.00 C ATOM 154 O SER A 12 2.107 1.389 1.486 1.00 0.00 O ATOM 155 CB SER A 12 3.683 2.547 4.092 1.00 0.00 C ATOM 156 OG SER A 12 4.630 3.408 4.712 1.00 0.00 O ATOM 0 H SER A 12 1.516 3.651 2.983 1.00 0.00 H new ATOM 0 HA SER A 12 4.418 3.439 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.728 2.602 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.020 1.512 4.153 1.00 0.00 H new ATOM 0 HG SER A 12 4.743 3.148 5.650 1.00 0.00 H new ATOM 162 N LEU A 13 4.274 1.015 1.404 1.00 0.00 N ATOM 163 CA LEU A 13 4.076 -0.212 0.588 1.00 0.00 C ATOM 164 C LEU A 13 3.555 -1.327 1.496 1.00 0.00 C ATOM 165 O LEU A 13 2.980 -2.291 1.039 1.00 0.00 O ATOM 166 CB LEU A 13 5.403 -0.603 -0.104 1.00 0.00 C ATOM 167 CG LEU A 13 6.178 -1.685 0.665 1.00 0.00 C ATOM 168 CD1 LEU A 13 6.285 -1.309 2.141 1.00 0.00 C ATOM 169 CD2 LEU A 13 5.471 -3.037 0.519 1.00 0.00 C ATOM 0 H LEU A 13 5.244 1.240 1.624 1.00 0.00 H new ATOM 0 HA LEU A 13 3.341 -0.035 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.191 -0.961 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.029 0.283 -0.206 1.00 0.00 H new ATOM 0 HG LEU A 13 7.182 -1.761 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.836 -2.083 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.810 -0.358 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.286 -1.216 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.026 -3.799 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.461 -2.965 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.423 -3.311 -0.535 1.00 0.00 H new ATOM 181 N TYR A 14 3.732 -1.189 2.784 1.00 0.00 N ATOM 182 CA TYR A 14 3.222 -2.231 3.716 1.00 0.00 C ATOM 183 C TYR A 14 1.712 -2.093 3.782 1.00 0.00 C ATOM 184 O TYR A 14 0.970 -3.040 3.614 1.00 0.00 O ATOM 185 CB TYR A 14 3.812 -2.016 5.111 1.00 0.00 C ATOM 186 CG TYR A 14 3.758 -3.314 5.879 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.757 -4.280 5.693 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.707 -3.555 6.774 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.704 -5.486 6.404 1.00 0.00 C ATOM 190 CE2 TYR A 14 2.654 -4.762 7.484 1.00 0.00 C ATOM 191 CZ TYR A 14 3.652 -5.727 7.298 1.00 0.00 C ATOM 192 OH TYR A 14 3.600 -6.917 7.995 1.00 0.00 O ATOM 0 H TYR A 14 4.206 -0.402 3.227 1.00 0.00 H new ATOM 0 HA TYR A 14 3.506 -3.223 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.842 -1.668 5.033 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.254 -1.243 5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.566 -4.095 5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.938 -2.810 6.917 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.474 -6.230 6.263 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.844 -4.948 8.174 1.00 0.00 H new ATOM 0 HH TYR A 14 2.808 -6.924 8.572 1.00 0.00 H new ATOM 202 N GLN A 15 1.264 -0.899 4.003 1.00 0.00 N ATOM 203 CA GLN A 15 -0.196 -0.644 4.060 1.00 0.00 C ATOM 204 C GLN A 15 -0.776 -0.902 2.672 1.00 0.00 C ATOM 205 O GLN A 15 -1.830 -1.486 2.519 1.00 0.00 O ATOM 206 CB GLN A 15 -0.433 0.812 4.470 1.00 0.00 C ATOM 207 CG GLN A 15 -1.925 1.130 4.416 1.00 0.00 C ATOM 208 CD GLN A 15 -2.646 0.395 5.548 1.00 0.00 C ATOM 209 OE1 GLN A 15 -2.617 -0.818 5.619 1.00 0.00 O ATOM 210 NE2 GLN A 15 -3.297 1.084 6.445 1.00 0.00 N ATOM 0 H GLN A 15 1.851 -0.078 4.149 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.677 -1.297 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.052 0.982 5.477 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.115 1.480 3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.082 2.205 4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.337 0.829 3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.322 2.102 6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.781 0.604 7.204 1.00 0.00 H new ATOM 219 N LEU A 16 -0.072 -0.484 1.659 1.00 0.00 N ATOM 220 CA LEU A 16 -0.549 -0.708 0.264 1.00 0.00 C ATOM 221 C LEU A 16 -0.395 -2.185 -0.083 1.00 0.00 C ATOM 222 O LEU A 16 -1.134 -2.732 -0.877 1.00 0.00 O ATOM 223 CB LEU A 16 0.291 0.137 -0.702 1.00 0.00 C ATOM 224 CG LEU A 16 0.183 -0.414 -2.128 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.383 0.723 -3.121 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.267 -1.468 -2.365 1.00 0.00 C ATOM 0 H LEU A 16 0.819 0.006 1.736 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.597 -0.419 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.049 1.172 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.333 0.136 -0.383 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.800 -0.865 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.307 0.336 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.383 1.482 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.368 1.165 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.183 -1.854 -3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.250 -1.016 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.142 -2.285 -1.655 1.00 0.00 H new ATOM 238 N GLU A 17 0.565 -2.831 0.506 1.00 0.00 N ATOM 239 CA GLU A 17 0.776 -4.272 0.216 1.00 0.00 C ATOM 240 C GLU A 17 -0.306 -5.086 0.922 1.00 0.00 C ATOM 241 O GLU A 17 -0.699 -6.143 0.469 1.00 0.00 O ATOM 242 CB GLU A 17 2.165 -4.687 0.706 1.00 0.00 C ATOM 243 CG GLU A 17 2.241 -6.209 0.837 1.00 0.00 C ATOM 244 CD GLU A 17 2.056 -6.606 2.302 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.073 -6.184 2.889 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.900 -7.324 2.812 1.00 0.00 O ATOM 0 H GLU A 17 1.215 -2.423 1.178 1.00 0.00 H new ATOM 0 HA GLU A 17 0.713 -4.454 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.926 -4.335 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.375 -4.220 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.471 -6.676 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.203 -6.568 0.471 1.00 0.00 H new ATOM 253 N ASN A 18 -0.807 -4.592 2.017 1.00 0.00 N ATOM 254 CA ASN A 18 -1.884 -5.327 2.736 1.00 0.00 C ATOM 255 C ASN A 18 -3.049 -5.535 1.772 1.00 0.00 C ATOM 256 O ASN A 18 -3.896 -6.384 1.967 1.00 0.00 O ATOM 257 CB ASN A 18 -2.358 -4.502 3.934 1.00 0.00 C ATOM 258 CG ASN A 18 -1.992 -5.227 5.231 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.990 -6.440 5.282 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.681 -4.529 6.288 1.00 0.00 N ATOM 0 H ASN A 18 -0.519 -3.713 2.446 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.509 -6.287 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.897 -3.515 3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.436 -4.351 3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.436 -5.002 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.683 -3.510 6.245 1.00 0.00 H new ATOM 267 N TYR A 19 -3.088 -4.753 0.731 1.00 0.00 N ATOM 268 CA TYR A 19 -4.182 -4.869 -0.270 1.00 0.00 C ATOM 269 C TYR A 19 -4.008 -6.151 -1.090 1.00 0.00 C ATOM 270 O TYR A 19 -3.891 -6.113 -2.299 1.00 0.00 O ATOM 271 CB TYR A 19 -4.127 -3.653 -1.201 1.00 0.00 C ATOM 272 CG TYR A 19 -4.201 -2.379 -0.385 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.708 -2.404 0.922 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.765 -1.169 -0.941 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.777 -1.222 1.671 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.834 0.014 -0.193 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.340 -0.012 1.114 1.00 0.00 C ATOM 278 OH TYR A 19 -4.409 1.153 1.850 1.00 0.00 O ATOM 0 H TYR A 19 -2.399 -4.029 0.529 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.144 -4.907 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.205 -3.670 -1.783 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.953 -3.689 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.046 -3.335 1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.375 -1.148 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.167 -1.243 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.497 0.946 -0.623 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.065 1.899 1.315 1.00 0.00 H new ATOM 288 N CYS A 20 -3.998 -7.289 -0.447 1.00 0.00 N ATOM 289 CA CYS A 20 -3.842 -8.568 -1.198 1.00 0.00 C ATOM 290 C CYS A 20 -5.088 -9.432 -0.979 1.00 0.00 C ATOM 291 O CYS A 20 -5.996 -9.056 -0.264 1.00 0.00 O ATOM 292 CB CYS A 20 -2.607 -9.320 -0.693 1.00 0.00 C ATOM 293 SG CYS A 20 -1.110 -8.383 -1.095 1.00 0.00 S ATOM 0 H CYS A 20 -4.091 -7.387 0.564 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.721 -8.353 -2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.676 -9.468 0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.561 -10.309 -1.148 1.00 0.00 H new ATOM 298 N ASN A 21 -5.140 -10.585 -1.587 1.00 0.00 N ATOM 299 CA ASN A 21 -6.327 -11.468 -1.410 1.00 0.00 C ATOM 300 C ASN A 21 -6.260 -12.143 -0.040 1.00 0.00 C ATOM 301 O ASN A 21 -7.078 -11.812 0.804 1.00 0.00 O ATOM 302 CB ASN A 21 -6.336 -12.535 -2.507 1.00 0.00 C ATOM 303 CG ASN A 21 -7.737 -13.136 -2.630 1.00 0.00 C ATOM 304 OD1 ASN A 21 -8.384 -12.999 -3.650 1.00 0.00 O ATOM 305 ND2 ASN A 21 -8.239 -13.800 -1.624 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.390 -12.978 0.144 1.00 0.00 O ATOM 0 H ASN A 21 -4.412 -10.954 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.237 -10.872 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.034 -12.096 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.614 -13.317 -2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.173 -14.203 -1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.697 -13.915 -0.768 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 7.825 2.063 -0.467 1.00 0.00 N ATOM 315 CA PHE B 1 7.490 2.379 -1.884 1.00 0.00 C ATOM 316 C PHE B 1 7.316 3.891 -2.032 1.00 0.00 C ATOM 317 O PHE B 1 6.269 4.435 -1.739 1.00 0.00 O ATOM 318 CB PHE B 1 6.183 1.677 -2.274 1.00 0.00 C ATOM 319 CG PHE B 1 6.486 0.313 -2.851 1.00 0.00 C ATOM 320 CD1 PHE B 1 7.306 -0.581 -2.149 1.00 0.00 C ATOM 321 CD2 PHE B 1 5.942 -0.060 -4.087 1.00 0.00 C ATOM 322 CE1 PHE B 1 7.582 -1.846 -2.683 1.00 0.00 C ATOM 323 CE2 PHE B 1 6.218 -1.326 -4.622 1.00 0.00 C ATOM 324 CZ PHE B 1 7.038 -2.218 -3.919 1.00 0.00 C ATOM 0 H1 PHE B 1 8.359 1.171 -0.427 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.402 2.830 -0.067 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.948 1.966 0.084 1.00 0.00 H new ATOM 0 HA PHE B 1 8.293 2.033 -2.534 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.539 1.577 -1.401 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.640 2.278 -3.004 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.725 -0.294 -1.196 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.310 0.628 -4.628 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.214 -2.534 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.799 -1.613 -5.575 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.251 -3.194 -4.330 1.00 0.00 H new ATOM 336 N VAL B 2 8.330 4.580 -2.485 1.00 0.00 N ATOM 337 CA VAL B 2 8.206 6.055 -2.647 1.00 0.00 C ATOM 338 C VAL B 2 7.440 6.346 -3.942 1.00 0.00 C ATOM 339 O VAL B 2 7.294 5.486 -4.788 1.00 0.00 O ATOM 340 CB VAL B 2 9.609 6.691 -2.682 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.143 6.753 -4.117 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.533 8.106 -2.105 1.00 0.00 C ATOM 0 H VAL B 2 9.233 4.186 -2.748 1.00 0.00 H new ATOM 0 HA VAL B 2 7.659 6.484 -1.807 1.00 0.00 H new ATOM 0 HB VAL B 2 10.287 6.079 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.135 7.206 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.204 5.745 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.470 7.353 -4.730 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.523 8.562 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.844 8.705 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.177 8.061 -1.076 1.00 0.00 H new ATOM 352 N ASN B 3 6.934 7.539 -4.105 1.00 0.00 N ATOM 353 CA ASN B 3 6.169 7.844 -5.345 1.00 0.00 C ATOM 354 C ASN B 3 5.517 9.226 -5.235 1.00 0.00 C ATOM 355 O ASN B 3 5.970 10.087 -4.506 1.00 0.00 O ATOM 356 CB ASN B 3 5.075 6.785 -5.513 1.00 0.00 C ATOM 357 CG ASN B 3 5.209 6.118 -6.882 1.00 0.00 C ATOM 358 OD1 ASN B 3 4.253 6.033 -7.628 1.00 0.00 O ATOM 359 ND2 ASN B 3 6.365 5.632 -7.246 1.00 0.00 N ATOM 0 H ASN B 3 7.017 8.308 -3.440 1.00 0.00 H new ATOM 0 HA ASN B 3 6.843 7.838 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN B 3 5.155 6.037 -4.724 1.00 0.00 H new ATOM 0 HB3 ASN B 3 4.092 7.246 -5.417 1.00 0.00 H new ATOM 0 HD21 ASN B 3 6.465 5.182 -8.156 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.168 5.703 -6.621 1.00 0.00 H new ATOM 366 N GLN B 4 4.448 9.432 -5.952 1.00 0.00 N ATOM 367 CA GLN B 4 3.733 10.739 -5.902 1.00 0.00 C ATOM 368 C GLN B 4 2.233 10.464 -5.999 1.00 0.00 C ATOM 369 O GLN B 4 1.644 10.549 -7.058 1.00 0.00 O ATOM 370 CB GLN B 4 4.173 11.615 -7.080 1.00 0.00 C ATOM 371 CG GLN B 4 4.403 13.048 -6.594 1.00 0.00 C ATOM 372 CD GLN B 4 5.436 13.733 -7.491 1.00 0.00 C ATOM 373 OE1 GLN B 4 6.494 13.191 -7.743 1.00 0.00 O ATOM 374 NE2 GLN B 4 5.171 14.911 -7.989 1.00 0.00 N ATOM 0 H GLN B 4 4.034 8.742 -6.579 1.00 0.00 H new ATOM 0 HA GLN B 4 3.964 11.260 -4.973 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.088 11.218 -7.520 1.00 0.00 H new ATOM 0 HB3 GLN B 4 3.412 11.602 -7.860 1.00 0.00 H new ATOM 0 HG2 GLN B 4 3.465 13.604 -6.611 1.00 0.00 H new ATOM 0 HG3 GLN B 4 4.751 13.041 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.283 15.366 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN B 4 5.852 15.376 -8.589 1.00 0.00 H new ATOM 383 N HIS B 5 1.615 10.110 -4.905 1.00 0.00 N ATOM 384 CA HIS B 5 0.160 9.801 -4.937 1.00 0.00 C ATOM 385 C HIS B 5 -0.046 8.495 -5.707 1.00 0.00 C ATOM 386 O HIS B 5 0.632 8.225 -6.678 1.00 0.00 O ATOM 387 CB HIS B 5 -0.596 10.936 -5.628 1.00 0.00 C ATOM 388 CG HIS B 5 -0.166 12.249 -5.036 1.00 0.00 C ATOM 389 ND1 HIS B 5 0.950 12.913 -5.496 1.00 0.00 N ATOM 390 CD2 HIS B 5 -0.704 12.999 -4.027 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.059 14.033 -4.766 1.00 0.00 C ATOM 392 NE2 HIS B 5 0.069 14.128 -3.854 1.00 0.00 N ATOM 0 H HIS B 5 2.057 10.022 -3.990 1.00 0.00 H new ATOM 0 HA HIS B 5 -0.220 9.696 -3.921 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -0.395 10.923 -6.699 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.671 10.802 -5.504 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -1.588 12.749 -3.459 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.841 14.767 -4.892 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -0.077 14.878 -3.178 1.00 0.00 H new ATOM 400 N LEU B 6 -0.959 7.675 -5.270 1.00 0.00 N ATOM 401 CA LEU B 6 -1.189 6.375 -5.966 1.00 0.00 C ATOM 402 C LEU B 6 -2.643 6.273 -6.411 1.00 0.00 C ATOM 403 O LEU B 6 -2.954 6.154 -7.584 1.00 0.00 O ATOM 404 CB LEU B 6 -0.893 5.240 -4.990 1.00 0.00 C ATOM 405 CG LEU B 6 0.591 5.246 -4.639 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.765 5.691 -3.186 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.151 3.837 -4.813 1.00 0.00 C ATOM 0 H LEU B 6 -1.557 7.847 -4.462 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.539 6.310 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -1.492 5.357 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -1.169 4.283 -5.433 1.00 0.00 H new ATOM 0 HG LEU B 6 1.124 5.935 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.825 5.696 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.357 6.694 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.238 5.000 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.212 3.834 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU B 6 0.621 3.151 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.020 3.519 -5.847 1.00 0.00 H new ATOM 419 N CYS B 7 -3.528 6.304 -5.466 1.00 0.00 N ATOM 420 CA CYS B 7 -4.977 6.202 -5.785 1.00 0.00 C ATOM 421 C CYS B 7 -5.288 4.805 -6.321 1.00 0.00 C ATOM 422 O CYS B 7 -4.656 3.836 -5.953 1.00 0.00 O ATOM 423 CB CYS B 7 -5.347 7.254 -6.832 1.00 0.00 C ATOM 424 SG CYS B 7 -4.579 8.834 -6.391 1.00 0.00 S ATOM 0 H CYS B 7 -3.311 6.397 -4.474 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.560 6.376 -4.881 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -5.010 6.936 -7.819 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -6.430 7.365 -6.885 1.00 0.00 H new ATOM 429 N GLY B 8 -6.265 4.692 -7.174 1.00 0.00 N ATOM 430 CA GLY B 8 -6.632 3.355 -7.718 1.00 0.00 C ATOM 431 C GLY B 8 -5.510 2.795 -8.597 1.00 0.00 C ATOM 432 O GLY B 8 -4.776 1.916 -8.197 1.00 0.00 O ATOM 0 H GLY B 8 -6.828 5.470 -7.520 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.834 2.667 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.550 3.435 -8.300 1.00 0.00 H new ATOM 436 N SER B 9 -5.402 3.279 -9.802 1.00 0.00 N ATOM 437 CA SER B 9 -4.361 2.763 -10.740 1.00 0.00 C ATOM 438 C SER B 9 -3.050 2.448 -10.013 1.00 0.00 C ATOM 439 O SER B 9 -2.645 1.306 -9.938 1.00 0.00 O ATOM 440 CB SER B 9 -4.096 3.793 -11.833 1.00 0.00 C ATOM 441 OG SER B 9 -4.099 5.096 -11.267 1.00 0.00 O ATOM 0 H SER B 9 -5.995 4.017 -10.183 1.00 0.00 H new ATOM 0 HA SER B 9 -4.738 1.839 -11.178 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.136 3.594 -12.310 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.858 3.720 -12.609 1.00 0.00 H new ATOM 0 HG SER B 9 -3.927 5.758 -11.969 1.00 0.00 H new ATOM 447 N ASP B 10 -2.359 3.433 -9.498 1.00 0.00 N ATOM 448 CA ASP B 10 -1.065 3.121 -8.825 1.00 0.00 C ATOM 449 C ASP B 10 -1.259 1.962 -7.858 1.00 0.00 C ATOM 450 O ASP B 10 -0.537 0.986 -7.898 1.00 0.00 O ATOM 451 CB ASP B 10 -0.538 4.347 -8.087 1.00 0.00 C ATOM 452 CG ASP B 10 0.780 4.793 -8.721 1.00 0.00 C ATOM 453 OD1 ASP B 10 1.704 3.996 -8.742 1.00 0.00 O ATOM 454 OD2 ASP B 10 0.844 5.922 -9.176 1.00 0.00 O ATOM 0 H ASP B 10 -2.627 4.417 -9.513 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.332 2.837 -9.580 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.268 5.155 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.387 4.114 -7.033 1.00 0.00 H new ATOM 459 N LEU B 11 -2.237 2.038 -7.009 1.00 0.00 N ATOM 460 CA LEU B 11 -2.475 0.905 -6.071 1.00 0.00 C ATOM 461 C LEU B 11 -2.447 -0.372 -6.891 1.00 0.00 C ATOM 462 O LEU B 11 -1.431 -1.020 -7.000 1.00 0.00 O ATOM 463 CB LEU B 11 -3.846 1.066 -5.390 1.00 0.00 C ATOM 464 CG LEU B 11 -3.689 1.595 -3.950 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.423 2.440 -3.818 1.00 0.00 C ATOM 466 CD2 LEU B 11 -4.894 2.469 -3.588 1.00 0.00 C ATOM 0 H LEU B 11 -2.879 2.826 -6.920 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.712 0.880 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -4.465 1.752 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.363 0.107 -5.374 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.623 0.738 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.333 2.803 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.553 1.833 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.479 3.289 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.781 2.842 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -4.953 3.311 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -5.807 1.877 -3.658 1.00 0.00 H new ATOM 478 N VAL B 12 -3.565 -0.725 -7.461 1.00 0.00 N ATOM 479 CA VAL B 12 -3.650 -1.964 -8.308 1.00 0.00 C ATOM 480 C VAL B 12 -2.308 -2.193 -9.011 1.00 0.00 C ATOM 481 O VAL B 12 -1.885 -3.313 -9.214 1.00 0.00 O ATOM 482 CB VAL B 12 -4.802 -1.834 -9.350 1.00 0.00 C ATOM 483 CG1 VAL B 12 -5.406 -0.430 -9.317 1.00 0.00 C ATOM 484 CG2 VAL B 12 -4.298 -2.091 -10.775 1.00 0.00 C ATOM 0 H VAL B 12 -4.439 -0.205 -7.379 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.869 -2.821 -7.671 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.552 -2.578 -9.083 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.208 -0.362 -10.052 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.806 -0.229 -8.323 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.635 0.303 -9.552 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.126 -1.993 -11.477 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.523 -1.365 -11.023 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.886 -3.098 -10.839 1.00 0.00 H new ATOM 494 N GLU B 13 -1.627 -1.138 -9.360 1.00 0.00 N ATOM 495 CA GLU B 13 -0.305 -1.305 -10.020 1.00 0.00 C ATOM 496 C GLU B 13 0.680 -1.800 -8.964 1.00 0.00 C ATOM 497 O GLU B 13 1.292 -2.840 -9.109 1.00 0.00 O ATOM 498 CB GLU B 13 0.154 0.036 -10.600 1.00 0.00 C ATOM 499 CG GLU B 13 -0.877 0.521 -11.624 1.00 0.00 C ATOM 500 CD GLU B 13 -0.355 0.258 -13.037 1.00 0.00 C ATOM 501 OE1 GLU B 13 -0.421 -0.881 -13.470 1.00 0.00 O ATOM 502 OE2 GLU B 13 0.101 1.200 -13.664 1.00 0.00 O ATOM 0 H GLU B 13 -1.927 -0.174 -9.218 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.365 -2.023 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.266 0.771 -9.803 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.130 -0.074 -11.073 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.825 0.005 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.068 1.585 -11.488 1.00 0.00 H new ATOM 509 N ALA B 14 0.802 -1.086 -7.879 1.00 0.00 N ATOM 510 CA ALA B 14 1.706 -1.548 -6.796 1.00 0.00 C ATOM 511 C ALA B 14 1.118 -2.836 -6.232 1.00 0.00 C ATOM 512 O ALA B 14 1.816 -3.796 -5.969 1.00 0.00 O ATOM 513 CB ALA B 14 1.784 -0.489 -5.695 1.00 0.00 C ATOM 0 H ALA B 14 0.316 -0.207 -7.699 1.00 0.00 H new ATOM 0 HA ALA B 14 2.712 -1.717 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.449 -0.835 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.169 0.442 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.789 -0.318 -5.284 1.00 0.00 H new ATOM 519 N LEU B 15 -0.175 -2.864 -6.072 1.00 0.00 N ATOM 520 CA LEU B 15 -0.836 -4.091 -5.553 1.00 0.00 C ATOM 521 C LEU B 15 -0.380 -5.268 -6.408 1.00 0.00 C ATOM 522 O LEU B 15 -0.106 -6.345 -5.919 1.00 0.00 O ATOM 523 CB LEU B 15 -2.372 -3.987 -5.661 1.00 0.00 C ATOM 524 CG LEU B 15 -2.943 -2.695 -5.034 1.00 0.00 C ATOM 525 CD1 LEU B 15 -4.068 -3.050 -4.072 1.00 0.00 C ATOM 526 CD2 LEU B 15 -1.884 -1.893 -4.270 1.00 0.00 C ATOM 0 H LEU B 15 -0.803 -2.088 -6.279 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.567 -4.220 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.659 -4.030 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.823 -4.850 -5.171 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.307 -2.077 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.470 -2.138 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -4.858 -3.571 -4.613 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.682 -3.696 -3.283 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.339 -0.996 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.476 -2.504 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.082 -1.608 -4.951 1.00 0.00 H new ATOM 538 N TYR B 16 -0.305 -5.060 -7.692 1.00 0.00 N ATOM 539 CA TYR B 16 0.125 -6.153 -8.605 1.00 0.00 C ATOM 540 C TYR B 16 1.573 -6.528 -8.304 1.00 0.00 C ATOM 541 O TYR B 16 2.015 -7.624 -8.586 1.00 0.00 O ATOM 542 CB TYR B 16 0.011 -5.679 -10.056 1.00 0.00 C ATOM 543 CG TYR B 16 -1.340 -6.066 -10.611 1.00 0.00 C ATOM 544 CD1 TYR B 16 -1.770 -7.398 -10.539 1.00 0.00 C ATOM 545 CD2 TYR B 16 -2.162 -5.095 -11.199 1.00 0.00 C ATOM 546 CE1 TYR B 16 -3.022 -7.758 -11.055 1.00 0.00 C ATOM 547 CE2 TYR B 16 -3.413 -5.456 -11.715 1.00 0.00 C ATOM 548 CZ TYR B 16 -3.843 -6.787 -11.643 1.00 0.00 C ATOM 549 OH TYR B 16 -5.077 -7.141 -12.152 1.00 0.00 O ATOM 0 H TYR B 16 -0.524 -4.175 -8.150 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.513 -7.024 -8.456 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.140 -4.598 -10.107 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.804 -6.124 -10.658 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -1.137 -8.146 -10.086 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.831 -4.069 -11.254 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.354 -8.784 -10.999 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.046 -4.708 -12.169 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.518 -6.348 -12.522 1.00 0.00 H new ATOM 559 N LEU B 17 2.315 -5.628 -7.728 1.00 0.00 N ATOM 560 CA LEU B 17 3.734 -5.932 -7.404 1.00 0.00 C ATOM 561 C LEU B 17 3.852 -6.286 -5.927 1.00 0.00 C ATOM 562 O LEU B 17 4.821 -6.876 -5.494 1.00 0.00 O ATOM 563 CB LEU B 17 4.601 -4.708 -7.689 1.00 0.00 C ATOM 564 CG LEU B 17 4.490 -4.334 -9.162 1.00 0.00 C ATOM 565 CD1 LEU B 17 4.681 -2.826 -9.309 1.00 0.00 C ATOM 566 CD2 LEU B 17 5.575 -5.068 -9.950 1.00 0.00 C ATOM 0 H LEU B 17 2.000 -4.694 -7.467 1.00 0.00 H new ATOM 0 HA LEU B 17 4.069 -6.770 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.283 -3.872 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.640 -4.918 -7.434 1.00 0.00 H new ATOM 0 HG LEU B 17 3.510 -4.617 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.603 -2.550 -10.361 1.00 0.00 H new ATOM 0 HD12 LEU B 17 3.912 -2.305 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.665 -2.545 -8.932 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.500 -4.804 -11.005 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.556 -4.780 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.443 -6.144 -9.835 1.00 0.00 H new ATOM 578 N VAL B 18 2.878 -5.923 -5.146 1.00 0.00 N ATOM 579 CA VAL B 18 2.949 -6.235 -3.697 1.00 0.00 C ATOM 580 C VAL B 18 2.323 -7.606 -3.437 1.00 0.00 C ATOM 581 O VAL B 18 2.777 -8.362 -2.600 1.00 0.00 O ATOM 582 CB VAL B 18 2.204 -5.157 -2.900 1.00 0.00 C ATOM 583 CG1 VAL B 18 2.503 -3.780 -3.496 1.00 0.00 C ATOM 584 CG2 VAL B 18 0.696 -5.415 -2.960 1.00 0.00 C ATOM 0 H VAL B 18 2.040 -5.426 -5.447 1.00 0.00 H new ATOM 0 HA VAL B 18 3.992 -6.253 -3.380 1.00 0.00 H new ATOM 0 HB VAL B 18 2.536 -5.188 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.973 -3.015 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.575 -3.588 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.174 -3.754 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.172 -4.646 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.363 -5.389 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.477 -6.394 -2.533 1.00 0.00 H new ATOM 594 N CYS B 19 1.284 -7.927 -4.151 1.00 0.00 N ATOM 595 CA CYS B 19 0.617 -9.246 -3.955 1.00 0.00 C ATOM 596 C CYS B 19 1.076 -10.216 -5.041 1.00 0.00 C ATOM 597 O CYS B 19 1.258 -11.393 -4.804 1.00 0.00 O ATOM 598 CB CYS B 19 -0.903 -9.072 -4.039 1.00 0.00 C ATOM 599 SG CYS B 19 -1.423 -7.703 -2.973 1.00 0.00 S ATOM 0 H CYS B 19 0.864 -7.332 -4.865 1.00 0.00 H new ATOM 0 HA CYS B 19 0.883 -9.642 -2.975 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -1.199 -8.876 -5.069 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -1.401 -9.992 -3.734 1.00 0.00 H new ATOM 604 N GLY B 20 1.265 -9.728 -6.230 1.00 0.00 N ATOM 605 CA GLY B 20 1.714 -10.613 -7.342 1.00 0.00 C ATOM 606 C GLY B 20 0.505 -11.024 -8.187 1.00 0.00 C ATOM 607 O GLY B 20 -0.413 -10.255 -8.388 1.00 0.00 O ATOM 0 H GLY B 20 1.128 -8.750 -6.484 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.445 -10.094 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.208 -11.498 -6.940 1.00 0.00 H new ATOM 611 N GLU B 21 0.496 -12.234 -8.681 1.00 0.00 N ATOM 612 CA GLU B 21 -0.655 -12.690 -9.511 1.00 0.00 C ATOM 613 C GLU B 21 -1.533 -13.634 -8.686 1.00 0.00 C ATOM 614 O GLU B 21 -1.686 -14.795 -9.012 1.00 0.00 O ATOM 615 CB GLU B 21 -0.139 -13.430 -10.746 1.00 0.00 C ATOM 616 CG GLU B 21 -1.279 -13.597 -11.753 1.00 0.00 C ATOM 617 CD GLU B 21 -1.760 -12.219 -12.210 1.00 0.00 C ATOM 618 OE1 GLU B 21 -0.952 -11.481 -12.750 1.00 0.00 O ATOM 619 OE2 GLU B 21 -2.926 -11.925 -12.009 1.00 0.00 O ATOM 0 H GLU B 21 1.235 -12.924 -8.545 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.239 -11.825 -9.825 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.682 -12.875 -11.199 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.255 -14.406 -10.461 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.939 -14.178 -12.610 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.102 -14.149 -11.299 1.00 0.00 H new ATOM 626 N ARG B 22 -2.112 -13.147 -7.623 1.00 0.00 N ATOM 627 CA ARG B 22 -2.978 -14.019 -6.782 1.00 0.00 C ATOM 628 C ARG B 22 -4.375 -13.400 -6.679 1.00 0.00 C ATOM 629 O ARG B 22 -5.171 -13.775 -5.841 1.00 0.00 O ATOM 630 CB ARG B 22 -2.366 -14.146 -5.383 1.00 0.00 C ATOM 631 CG ARG B 22 -2.829 -15.454 -4.738 1.00 0.00 C ATOM 632 CD ARG B 22 -4.030 -15.180 -3.830 1.00 0.00 C ATOM 633 NE ARG B 22 -3.956 -16.061 -2.631 1.00 0.00 N ATOM 634 CZ ARG B 22 -4.713 -17.120 -2.552 1.00 0.00 C ATOM 635 NH1 ARG B 22 -4.431 -18.180 -3.260 1.00 0.00 N ATOM 636 NH2 ARG B 22 -5.754 -17.118 -1.766 1.00 0.00 N ATOM 0 H ARG B 22 -2.023 -12.183 -7.301 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.053 -15.008 -7.235 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.278 -14.126 -5.448 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.665 -13.299 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -3.100 -16.176 -5.509 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.016 -15.894 -4.160 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -4.038 -14.133 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.958 -15.362 -4.372 1.00 0.00 H new ATOM 0 HE ARG B 22 -3.313 -15.836 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -3.618 -18.180 -3.876 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.024 -19.008 -3.197 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -5.975 -16.289 -1.214 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -6.347 -17.945 -1.703 1.00 0.00 H new ATOM 650 N GLY B 23 -4.679 -12.454 -7.527 1.00 0.00 N ATOM 651 CA GLY B 23 -6.023 -11.811 -7.481 1.00 0.00 C ATOM 652 C GLY B 23 -6.133 -10.943 -6.227 1.00 0.00 C ATOM 653 O GLY B 23 -6.946 -11.190 -5.358 1.00 0.00 O ATOM 0 H GLY B 23 -4.053 -12.099 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.177 -11.202 -8.372 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -6.802 -12.573 -7.478 1.00 0.00 H new ATOM 657 N PHE B 24 -5.322 -9.926 -6.123 1.00 0.00 N ATOM 658 CA PHE B 24 -5.382 -9.043 -4.925 1.00 0.00 C ATOM 659 C PHE B 24 -6.661 -8.203 -4.977 1.00 0.00 C ATOM 660 O PHE B 24 -7.447 -8.312 -5.898 1.00 0.00 O ATOM 661 CB PHE B 24 -4.163 -8.119 -4.915 1.00 0.00 C ATOM 662 CG PHE B 24 -4.320 -7.067 -5.987 1.00 0.00 C ATOM 663 CD1 PHE B 24 -5.071 -5.913 -5.728 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.719 -7.246 -7.240 1.00 0.00 C ATOM 665 CE1 PHE B 24 -5.223 -4.938 -6.723 1.00 0.00 C ATOM 666 CE2 PHE B 24 -3.870 -6.269 -8.234 1.00 0.00 C ATOM 667 CZ PHE B 24 -4.622 -5.116 -7.975 1.00 0.00 C ATOM 0 H PHE B 24 -4.620 -9.669 -6.817 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.384 -9.652 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.060 -7.646 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.254 -8.696 -5.087 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.533 -5.775 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.140 -8.136 -7.440 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.804 -4.049 -6.524 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.406 -6.405 -9.200 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.738 -4.364 -8.741 1.00 0.00 H new ATOM 677 N PHE B 25 -6.876 -7.361 -4.003 1.00 0.00 N ATOM 678 CA PHE B 25 -8.104 -6.518 -4.017 1.00 0.00 C ATOM 679 C PHE B 25 -7.916 -5.309 -3.096 1.00 0.00 C ATOM 680 O PHE B 25 -7.317 -5.402 -2.042 1.00 0.00 O ATOM 681 CB PHE B 25 -9.311 -7.356 -3.563 1.00 0.00 C ATOM 682 CG PHE B 25 -9.424 -7.350 -2.056 1.00 0.00 C ATOM 683 CD1 PHE B 25 -8.761 -8.323 -1.296 1.00 0.00 C ATOM 684 CD2 PHE B 25 -10.194 -6.369 -1.418 1.00 0.00 C ATOM 685 CE1 PHE B 25 -8.868 -8.315 0.101 1.00 0.00 C ATOM 686 CE2 PHE B 25 -10.302 -6.360 -0.022 1.00 0.00 C ATOM 687 CZ PHE B 25 -9.639 -7.332 0.738 1.00 0.00 C ATOM 0 H PHE B 25 -6.259 -7.221 -3.203 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.285 -6.159 -5.030 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.225 -6.957 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.206 -8.380 -3.921 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.167 -9.079 -1.787 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.705 -5.619 -2.003 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.357 -9.065 0.687 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.896 -5.604 0.469 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.722 -7.324 1.815 1.00 0.00 H new ATOM 697 N TYR B 26 -8.432 -4.180 -3.485 1.00 0.00 N ATOM 698 CA TYR B 26 -8.300 -2.963 -2.641 1.00 0.00 C ATOM 699 C TYR B 26 -9.509 -2.058 -2.901 1.00 0.00 C ATOM 700 O TYR B 26 -10.428 -2.436 -3.598 1.00 0.00 O ATOM 701 CB TYR B 26 -6.988 -2.244 -2.985 1.00 0.00 C ATOM 702 CG TYR B 26 -7.140 -1.459 -4.265 1.00 0.00 C ATOM 703 CD1 TYR B 26 -7.314 -2.125 -5.486 1.00 0.00 C ATOM 704 CD2 TYR B 26 -7.104 -0.060 -4.229 1.00 0.00 C ATOM 705 CE1 TYR B 26 -7.456 -1.388 -6.670 1.00 0.00 C ATOM 706 CE2 TYR B 26 -7.244 0.675 -5.410 1.00 0.00 C ATOM 707 CZ TYR B 26 -7.421 0.013 -6.632 1.00 0.00 C ATOM 708 OH TYR B 26 -7.565 0.742 -7.795 1.00 0.00 O ATOM 0 H TYR B 26 -8.943 -4.047 -4.358 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.275 -3.227 -1.584 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.708 -1.575 -2.171 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.183 -2.972 -3.090 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.339 -3.204 -5.515 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.968 0.452 -3.288 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.592 -1.899 -7.611 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.216 1.754 -5.380 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.431 1.201 -7.789 1.00 0.00 H new ATOM 718 N THR B 27 -9.539 -0.881 -2.339 1.00 0.00 N ATOM 719 CA THR B 27 -10.722 0.002 -2.565 1.00 0.00 C ATOM 720 C THR B 27 -10.280 1.439 -2.842 1.00 0.00 C ATOM 721 O THR B 27 -9.120 1.718 -3.068 1.00 0.00 O ATOM 722 CB THR B 27 -11.615 -0.020 -1.321 1.00 0.00 C ATOM 723 OG1 THR B 27 -10.851 0.360 -0.186 1.00 0.00 O ATOM 724 CG2 THR B 27 -12.174 -1.430 -1.111 1.00 0.00 C ATOM 0 H THR B 27 -8.808 -0.495 -1.741 1.00 0.00 H new ATOM 0 HA THR B 27 -11.273 -0.368 -3.430 1.00 0.00 H new ATOM 0 HB THR B 27 -12.441 0.678 -1.457 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.414 0.874 0.430 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.809 -1.442 -0.225 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.761 -1.722 -1.982 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.351 -2.132 -0.977 1.00 0.00 H new ATOM 732 N ASP B 28 -11.214 2.354 -2.829 1.00 0.00 N ATOM 733 CA ASP B 28 -10.883 3.783 -3.090 1.00 0.00 C ATOM 734 C ASP B 28 -11.603 4.656 -2.055 1.00 0.00 C ATOM 735 O ASP B 28 -10.999 5.477 -1.395 1.00 0.00 O ATOM 736 CB ASP B 28 -11.343 4.158 -4.508 1.00 0.00 C ATOM 737 CG ASP B 28 -11.547 5.674 -4.618 1.00 0.00 C ATOM 738 OD1 ASP B 28 -12.536 6.158 -4.093 1.00 0.00 O ATOM 739 OD2 ASP B 28 -10.712 6.323 -5.227 1.00 0.00 O ATOM 0 H ASP B 28 -12.200 2.169 -2.647 1.00 0.00 H new ATOM 0 HA ASP B 28 -9.807 3.941 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -10.602 3.830 -5.237 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -12.273 3.641 -4.745 1.00 0.00 H new ATOM 744 N LYS B 29 -12.889 4.485 -1.913 1.00 0.00 N ATOM 745 CA LYS B 29 -13.648 5.303 -0.925 1.00 0.00 C ATOM 746 C LYS B 29 -14.339 4.378 0.079 1.00 0.00 C ATOM 747 O LYS B 29 -13.761 3.354 0.407 1.00 0.00 O ATOM 748 CB LYS B 29 -14.700 6.138 -1.656 1.00 0.00 C ATOM 749 CG LYS B 29 -15.635 5.211 -2.436 1.00 0.00 C ATOM 750 CD LYS B 29 -16.939 5.946 -2.752 1.00 0.00 C ATOM 751 CE LYS B 29 -17.984 4.943 -3.246 1.00 0.00 C ATOM 752 NZ LYS B 29 -19.261 5.152 -2.506 1.00 0.00 N ATOM 753 OXT LYS B 29 -15.434 4.709 0.504 1.00 0.00 O ATOM 0 H LYS B 29 -13.448 3.813 -2.439 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.961 5.965 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.271 6.730 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.215 6.839 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.155 4.887 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.843 4.314 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.304 6.459 -1.862 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.764 6.709 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.147 5.068 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.626 3.925 -3.095 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -19.972 4.471 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.099 5.012 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.604 6.120 -2.672 1.00 0.00 H new TER 767 LYS B 29