USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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+ 132:sc= 0.031 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.744 K(o=0.74,f=-0.059) USER MOD Single : A 8 THR OG1 : rot 168:sc= 1.22 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 170:sc= 0.25 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.483 K(o=0.48,f=-4.6!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.191 X(o=0.19,f=-0.034) USER MOD Single : B 1 PHE N :NH3+ -143:sc= 0.285 (180deg=0.00244) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.41 K(o=0.41,f=-1.5) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.127 10.857 -1.016 1.00 0.00 N ATOM 2 CA GLY A 1 -2.033 9.889 -1.678 1.00 0.00 C ATOM 3 C GLY A 1 -1.305 9.043 -2.715 1.00 0.00 C ATOM 4 O GLY A 1 -0.352 9.514 -3.336 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.569 11.798 -1.010 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.948 10.552 -0.038 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.227 10.901 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.479 9.237 -0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.850 10.427 -2.158 1.00 0.00 H new ATOM 10 N ILE A 2 -1.751 7.801 -2.938 1.00 0.00 N ATOM 11 CA ILE A 2 -1.061 6.793 -3.781 1.00 0.00 C ATOM 12 C ILE A 2 -0.773 7.268 -5.209 1.00 0.00 C ATOM 13 O ILE A 2 0.333 7.052 -5.689 1.00 0.00 O ATOM 14 CB ILE A 2 -1.815 5.435 -3.745 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.026 4.336 -4.499 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.268 5.537 -4.260 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.673 2.948 -4.465 1.00 0.00 C ATOM 0 H ILE A 2 -2.620 7.452 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.075 6.644 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.882 5.148 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.907 4.641 -5.539 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.026 4.267 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.741 4.556 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.825 6.241 -3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.264 5.886 -5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.052 2.243 -5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.767 2.616 -3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.661 2.996 -4.922 1.00 0.00 H new ATOM 29 N VAL A 3 -1.707 7.952 -5.870 1.00 0.00 N ATOM 30 CA VAL A 3 -1.534 8.384 -7.276 1.00 0.00 C ATOM 31 C VAL A 3 -0.364 9.364 -7.410 1.00 0.00 C ATOM 32 O VAL A 3 0.481 9.178 -8.282 1.00 0.00 O ATOM 33 CB VAL A 3 -2.830 8.987 -7.866 1.00 0.00 C ATOM 34 CG1 VAL A 3 -2.640 9.457 -9.319 1.00 0.00 C ATOM 35 CG2 VAL A 3 -3.968 7.952 -7.838 1.00 0.00 C ATOM 0 H VAL A 3 -2.600 8.225 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.303 7.491 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.082 9.848 -7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.576 9.873 -9.692 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.863 10.221 -9.356 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.346 8.611 -9.940 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.872 8.394 -8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.683 7.081 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.157 7.647 -6.809 1.00 0.00 H new ATOM 45 N GLU A 4 -0.266 10.365 -6.527 1.00 0.00 N ATOM 46 CA GLU A 4 0.858 11.311 -6.528 1.00 0.00 C ATOM 47 C GLU A 4 2.154 10.638 -6.059 1.00 0.00 C ATOM 48 O GLU A 4 3.215 10.860 -6.645 1.00 0.00 O ATOM 49 CB GLU A 4 0.553 12.524 -5.634 1.00 0.00 C ATOM 50 CG GLU A 4 -0.600 13.395 -6.155 1.00 0.00 C ATOM 51 CD GLU A 4 -0.314 14.004 -7.539 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.776 14.599 -7.737 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.188 13.912 -8.433 1.00 0.00 O ATOM 0 H GLU A 4 -0.957 10.542 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 4 0.995 11.651 -7.555 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.309 12.174 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.450 13.137 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.507 12.793 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.792 14.198 -5.443 1.00 0.00 H new ATOM 60 N GLN A 5 2.081 9.786 -5.031 1.00 0.00 N ATOM 61 CA GLN A 5 3.254 9.099 -4.489 1.00 0.00 C ATOM 62 C GLN A 5 3.874 8.135 -5.502 1.00 0.00 C ATOM 63 O GLN A 5 5.095 8.059 -5.585 1.00 0.00 O ATOM 64 CB GLN A 5 2.870 8.368 -3.191 1.00 0.00 C ATOM 65 CG GLN A 5 4.059 7.709 -2.472 1.00 0.00 C ATOM 66 CD GLN A 5 5.133 8.712 -2.032 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.908 9.572 -1.190 1.00 0.00 O ATOM 68 NE2 GLN A 5 6.329 8.665 -2.583 1.00 0.00 N ATOM 0 H GLN A 5 1.210 9.555 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 5 4.014 9.848 -4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.396 9.077 -2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.128 7.603 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.693 7.172 -1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.511 6.970 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.539 7.957 -3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.045 9.337 -2.306 1.00 0.00 H new ATOM 77 N CYS A 6 3.070 7.417 -6.288 1.00 0.00 N ATOM 78 CA CYS A 6 3.559 6.492 -7.306 1.00 0.00 C ATOM 79 C CYS A 6 3.926 7.156 -8.635 1.00 0.00 C ATOM 80 O CYS A 6 4.816 6.659 -9.324 1.00 0.00 O ATOM 81 CB CYS A 6 2.497 5.416 -7.534 1.00 0.00 C ATOM 82 SG CYS A 6 2.281 4.240 -6.176 1.00 0.00 S ATOM 0 H CYS A 6 2.053 7.463 -6.234 1.00 0.00 H new ATOM 0 HA CYS A 6 4.488 6.064 -6.929 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.542 5.906 -7.723 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.754 4.861 -8.436 1.00 0.00 H new ATOM 87 N CYS A 7 3.252 8.240 -9.023 1.00 0.00 N ATOM 88 CA CYS A 7 3.372 8.811 -10.375 1.00 0.00 C ATOM 89 C CYS A 7 4.240 10.076 -10.421 1.00 0.00 C ATOM 90 O CYS A 7 5.134 10.169 -11.268 1.00 0.00 O ATOM 91 CB CYS A 7 1.973 9.065 -10.947 1.00 0.00 C ATOM 92 SG CYS A 7 1.935 9.503 -12.705 1.00 0.00 S ATOM 0 H CYS A 7 2.609 8.748 -8.416 1.00 0.00 H new ATOM 0 HA CYS A 7 3.891 8.082 -10.998 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.367 8.171 -10.797 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.504 9.867 -10.377 1.00 0.00 H new ATOM 97 N THR A 8 3.996 11.039 -9.517 1.00 0.00 N ATOM 98 CA THR A 8 4.758 12.301 -9.411 1.00 0.00 C ATOM 99 C THR A 8 6.071 12.044 -8.679 1.00 0.00 C ATOM 100 O THR A 8 7.137 12.420 -9.163 1.00 0.00 O ATOM 101 CB THR A 8 3.917 13.377 -8.703 1.00 0.00 C ATOM 102 OG1 THR A 8 2.680 13.491 -9.374 1.00 0.00 O ATOM 103 CG2 THR A 8 4.602 14.746 -8.735 1.00 0.00 C ATOM 0 H THR A 8 3.250 10.964 -8.825 1.00 0.00 H new ATOM 0 HA THR A 8 4.989 12.672 -10.409 1.00 0.00 H new ATOM 0 HB THR A 8 3.789 13.078 -7.663 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.063 14.027 -8.834 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.976 15.478 -8.225 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.568 14.682 -8.233 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.751 15.054 -9.770 1.00 0.00 H new ATOM 111 N SER A 9 5.999 11.334 -7.557 1.00 0.00 N ATOM 112 CA SER A 9 7.151 10.700 -6.892 1.00 0.00 C ATOM 113 C SER A 9 7.304 9.224 -7.323 1.00 0.00 C ATOM 114 O SER A 9 6.733 8.801 -8.335 1.00 0.00 O ATOM 115 CB SER A 9 7.005 10.862 -5.363 1.00 0.00 C ATOM 116 OG SER A 9 7.018 12.235 -4.989 1.00 0.00 O ATOM 0 H SER A 9 5.119 11.175 -7.066 1.00 0.00 H new ATOM 0 HA SER A 9 8.071 11.197 -7.199 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.074 10.401 -5.033 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.817 10.337 -4.860 1.00 0.00 H new ATOM 0 HG SER A 9 6.922 12.310 -4.017 1.00 0.00 H new ATOM 122 N ILE A 10 8.087 8.433 -6.583 1.00 0.00 N ATOM 123 CA ILE A 10 8.164 6.970 -6.716 1.00 0.00 C ATOM 124 C ILE A 10 7.523 6.276 -5.506 1.00 0.00 C ATOM 125 O ILE A 10 7.574 6.794 -4.384 1.00 0.00 O ATOM 126 CB ILE A 10 9.622 6.497 -6.926 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.568 6.869 -5.759 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.142 6.997 -8.284 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.986 6.310 -5.923 1.00 0.00 C ATOM 0 H ILE A 10 8.701 8.799 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 10 7.599 6.687 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 10 9.613 5.407 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.621 7.955 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.145 6.498 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.169 6.661 -8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.516 6.599 -9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.110 8.086 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.596 6.609 -5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.944 5.222 -5.976 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.428 6.701 -6.839 1.00 0.00 H new ATOM 141 N CYS A 11 6.952 5.084 -5.714 1.00 0.00 N ATOM 142 CA CYS A 11 6.409 4.243 -4.636 1.00 0.00 C ATOM 143 C CYS A 11 6.952 2.815 -4.694 1.00 0.00 C ATOM 144 O CYS A 11 7.433 2.359 -5.734 1.00 0.00 O ATOM 145 CB CYS A 11 4.875 4.253 -4.663 1.00 0.00 C ATOM 146 SG CYS A 11 4.102 3.347 -6.026 1.00 0.00 S ATOM 0 H CYS A 11 6.852 4.671 -6.641 1.00 0.00 H new ATOM 0 HA CYS A 11 6.740 4.670 -3.689 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.512 3.837 -3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.538 5.289 -4.704 1.00 0.00 H new ATOM 151 N SER A 12 6.901 2.105 -3.572 1.00 0.00 N ATOM 152 CA SER A 12 7.381 0.723 -3.453 1.00 0.00 C ATOM 153 C SER A 12 6.275 -0.331 -3.551 1.00 0.00 C ATOM 154 O SER A 12 5.102 -0.058 -3.295 1.00 0.00 O ATOM 155 CB SER A 12 8.171 0.545 -2.153 1.00 0.00 C ATOM 156 OG SER A 12 7.327 0.574 -1.016 1.00 0.00 O ATOM 0 H SER A 12 6.519 2.476 -2.702 1.00 0.00 H new ATOM 0 HA SER A 12 8.032 0.556 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.709 -0.402 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.918 1.334 -2.071 1.00 0.00 H new ATOM 0 HG SER A 12 7.835 0.299 -0.224 1.00 0.00 H new ATOM 162 N LEU A 13 6.654 -1.575 -3.862 1.00 0.00 N ATOM 163 CA LEU A 13 5.739 -2.721 -3.828 1.00 0.00 C ATOM 164 C LEU A 13 5.173 -2.948 -2.414 1.00 0.00 C ATOM 165 O LEU A 13 4.001 -3.277 -2.250 1.00 0.00 O ATOM 166 CB LEU A 13 6.483 -3.974 -4.326 1.00 0.00 C ATOM 167 CG LEU A 13 7.108 -3.878 -5.739 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.704 -5.240 -6.125 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.110 -3.432 -6.819 1.00 0.00 C ATOM 0 H LEU A 13 7.604 -1.816 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 13 4.892 -2.515 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.276 -4.207 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.787 -4.813 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 13 7.882 -3.112 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.145 -5.175 -7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.473 -5.518 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.917 -5.995 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.615 -3.386 -7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.289 -4.146 -6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.718 -2.447 -6.567 1.00 0.00 H new ATOM 181 N TYR A 14 5.985 -2.700 -1.387 1.00 0.00 N ATOM 182 CA TYR A 14 5.563 -2.714 0.017 1.00 0.00 C ATOM 183 C TYR A 14 4.499 -1.645 0.334 1.00 0.00 C ATOM 184 O TYR A 14 3.578 -1.895 1.116 1.00 0.00 O ATOM 185 CB TYR A 14 6.816 -2.548 0.895 1.00 0.00 C ATOM 186 CG TYR A 14 6.542 -2.476 2.383 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.224 -3.647 3.095 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.603 -1.237 3.054 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.960 -3.587 4.476 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.337 -1.169 4.436 1.00 0.00 C ATOM 191 CZ TYR A 14 6.010 -2.344 5.149 1.00 0.00 C ATOM 192 OH TYR A 14 5.758 -2.276 6.486 1.00 0.00 O ATOM 0 H TYR A 14 6.974 -2.479 -1.508 1.00 0.00 H new ATOM 0 HA TYR A 14 5.079 -3.667 0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.490 -3.383 0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.338 -1.641 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.182 -4.595 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.854 -0.340 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.720 -4.488 5.021 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.383 -0.220 4.950 1.00 0.00 H new ATOM 0 HH TYR A 14 5.836 -1.347 6.787 1.00 0.00 H new ATOM 202 N GLN A 15 4.584 -0.473 -0.301 1.00 0.00 N ATOM 203 CA GLN A 15 3.567 0.585 -0.208 1.00 0.00 C ATOM 204 C GLN A 15 2.303 0.237 -1.011 1.00 0.00 C ATOM 205 O GLN A 15 1.205 0.531 -0.546 1.00 0.00 O ATOM 206 CB GLN A 15 4.145 1.931 -0.673 1.00 0.00 C ATOM 207 CG GLN A 15 5.118 2.540 0.350 1.00 0.00 C ATOM 208 CD GLN A 15 5.948 3.697 -0.213 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.061 3.906 -1.413 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.561 4.506 0.629 1.00 0.00 N ATOM 0 H GLN A 15 5.370 -0.226 -0.903 1.00 0.00 H new ATOM 0 HA GLN A 15 3.277 0.668 0.840 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.662 1.792 -1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.329 2.630 -0.854 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.552 2.894 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.791 1.761 0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.481 4.352 1.634 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.115 5.286 0.275 1.00 0.00 H new ATOM 219 N LEU A 16 2.416 -0.435 -2.165 1.00 0.00 N ATOM 220 CA LEU A 16 1.254 -0.965 -2.898 1.00 0.00 C ATOM 221 C LEU A 16 0.500 -2.034 -2.085 1.00 0.00 C ATOM 222 O LEU A 16 -0.731 -2.048 -2.086 1.00 0.00 O ATOM 223 CB LEU A 16 1.693 -1.540 -4.263 1.00 0.00 C ATOM 224 CG LEU A 16 2.280 -0.541 -5.278 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.527 -1.264 -6.608 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.381 0.677 -5.520 1.00 0.00 C ATOM 0 H LEU A 16 3.310 -0.627 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 16 0.568 -0.135 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.436 -2.317 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.831 -2.024 -4.722 1.00 0.00 H new ATOM 0 HG LEU A 16 3.212 -0.165 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.943 -0.563 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.229 -2.083 -6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.585 -1.661 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.854 1.340 -6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.417 0.346 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.233 1.212 -4.582 1.00 0.00 H new ATOM 238 N GLU A 17 1.221 -2.898 -1.365 1.00 0.00 N ATOM 239 CA GLU A 17 0.656 -3.985 -0.556 1.00 0.00 C ATOM 240 C GLU A 17 -0.277 -3.489 0.566 1.00 0.00 C ATOM 241 O GLU A 17 -1.216 -4.191 0.947 1.00 0.00 O ATOM 242 CB GLU A 17 1.808 -4.838 0.003 1.00 0.00 C ATOM 243 CG GLU A 17 1.342 -6.178 0.582 1.00 0.00 C ATOM 244 CD GLU A 17 2.543 -7.018 1.041 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.979 -6.870 2.208 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.059 -7.841 0.245 1.00 0.00 O ATOM 0 H GLU A 17 2.240 -2.861 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 17 0.024 -4.593 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.531 -5.025 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.325 -4.274 0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.672 -6.003 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.774 -6.727 -0.169 1.00 0.00 H new ATOM 253 N ASN A 18 -0.084 -2.258 1.060 1.00 0.00 N ATOM 254 CA ASN A 18 -0.952 -1.623 2.060 1.00 0.00 C ATOM 255 C ASN A 18 -2.431 -1.526 1.614 1.00 0.00 C ATOM 256 O ASN A 18 -3.339 -1.526 2.446 1.00 0.00 O ATOM 257 CB ASN A 18 -0.379 -0.228 2.349 1.00 0.00 C ATOM 258 CG ASN A 18 -1.199 0.540 3.381 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.154 0.254 4.570 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.971 1.522 2.953 1.00 0.00 N ATOM 0 H ASN A 18 0.694 -1.665 0.770 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.962 -2.242 2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.646 -0.327 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.340 0.344 1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.538 2.051 3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.001 1.752 1.960 1.00 0.00 H new ATOM 267 N TYR A 19 -2.679 -1.440 0.302 1.00 0.00 N ATOM 268 CA TYR A 19 -4.001 -1.220 -0.295 1.00 0.00 C ATOM 269 C TYR A 19 -4.724 -2.517 -0.716 1.00 0.00 C ATOM 270 O TYR A 19 -5.859 -2.457 -1.194 1.00 0.00 O ATOM 271 CB TYR A 19 -3.821 -0.259 -1.475 1.00 0.00 C ATOM 272 CG TYR A 19 -3.337 1.120 -1.058 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.260 2.110 -0.664 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.957 1.402 -1.017 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.808 3.380 -0.253 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.495 2.662 -0.596 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.423 3.663 -0.227 1.00 0.00 C ATOM 278 OH TYR A 19 -1.988 4.892 0.169 1.00 0.00 O ATOM 0 H TYR A 19 -1.940 -1.524 -0.396 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.656 -0.788 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.109 -0.689 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.770 -0.160 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.318 1.894 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.247 0.643 -1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.520 4.137 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.435 2.864 -0.555 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.009 4.921 0.130 1.00 0.00 H new ATOM 288 N CYS A 20 -4.096 -3.689 -0.555 1.00 0.00 N ATOM 289 CA CYS A 20 -4.688 -4.991 -0.891 1.00 0.00 C ATOM 290 C CYS A 20 -5.822 -5.426 0.058 1.00 0.00 C ATOM 291 O CYS A 20 -5.814 -5.097 1.249 1.00 0.00 O ATOM 292 CB CYS A 20 -3.590 -6.059 -0.904 1.00 0.00 C ATOM 293 SG CYS A 20 -2.255 -5.757 -2.085 1.00 0.00 S ATOM 0 H CYS A 20 -3.149 -3.761 -0.182 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.141 -4.881 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.162 -6.133 0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.044 -7.024 -1.129 1.00 0.00 H new ATOM 298 N ASN A 21 -6.759 -6.227 -0.474 1.00 0.00 N ATOM 299 CA ASN A 21 -7.824 -6.932 0.259 1.00 0.00 C ATOM 300 C ASN A 21 -7.345 -8.337 0.674 1.00 0.00 C ATOM 301 O ASN A 21 -6.674 -8.456 1.722 1.00 0.00 O ATOM 302 CB ASN A 21 -9.103 -6.919 -0.617 1.00 0.00 C ATOM 303 CG ASN A 21 -10.327 -7.531 0.056 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.292 -6.856 0.390 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.320 -8.825 0.272 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.580 -9.316 -0.071 1.00 0.00 O ATOM 0 H ASN A 21 -6.797 -6.410 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.071 -6.431 1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.331 -5.889 -0.893 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.902 -7.460 -1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.120 -9.272 0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.514 -9.384 -0.008 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.144 -3.568 -0.576 1.00 0.00 N ATOM 315 CA PHE B 1 12.039 -3.688 -1.561 1.00 0.00 C ATOM 316 C PHE B 1 12.347 -2.911 -2.853 1.00 0.00 C ATOM 317 O PHE B 1 13.219 -2.041 -2.862 1.00 0.00 O ATOM 318 CB PHE B 1 10.675 -3.284 -0.949 1.00 0.00 C ATOM 319 CG PHE B 1 10.639 -1.997 -0.129 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.931 -0.747 -0.715 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.283 -2.053 1.234 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.875 0.430 0.054 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.212 -0.874 1.998 1.00 0.00 C ATOM 324 CZ PHE B 1 10.511 0.367 1.410 1.00 0.00 C ATOM 0 H1 PHE B 1 13.259 -4.470 -0.072 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.027 -3.333 -1.072 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.920 -2.816 0.107 1.00 0.00 H new ATOM 0 HA PHE B 1 11.960 -4.741 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.954 -3.189 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.333 -4.101 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.199 -0.693 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.064 -3.005 1.694 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.112 1.382 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.927 -0.923 3.039 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.461 1.271 1.999 1.00 0.00 H new ATOM 336 N VAL B 2 11.624 -3.202 -3.943 1.00 0.00 N ATOM 337 CA VAL B 2 11.702 -2.464 -5.224 1.00 0.00 C ATOM 338 C VAL B 2 10.761 -1.250 -5.183 1.00 0.00 C ATOM 339 O VAL B 2 9.659 -1.336 -4.634 1.00 0.00 O ATOM 340 CB VAL B 2 11.359 -3.388 -6.422 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.331 -2.653 -7.775 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.368 -4.546 -6.522 1.00 0.00 C ATOM 0 H VAL B 2 10.954 -3.971 -3.966 1.00 0.00 H new ATOM 0 HA VAL B 2 12.725 -2.113 -5.362 1.00 0.00 H new ATOM 0 HB VAL B 2 10.355 -3.763 -6.222 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.085 -3.359 -8.568 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.579 -1.864 -7.745 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.309 -2.214 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.109 -5.182 -7.369 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.371 -4.143 -6.664 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.339 -5.134 -5.605 1.00 0.00 H new ATOM 352 N ASN B 3 11.182 -0.135 -5.789 1.00 0.00 N ATOM 353 CA ASN B 3 10.379 1.079 -5.986 1.00 0.00 C ATOM 354 C ASN B 3 10.494 1.648 -7.414 1.00 0.00 C ATOM 355 O ASN B 3 11.496 1.450 -8.106 1.00 0.00 O ATOM 356 CB ASN B 3 10.689 2.111 -4.885 1.00 0.00 C ATOM 357 CG ASN B 3 12.135 2.617 -4.816 1.00 0.00 C ATOM 358 OD1 ASN B 3 12.995 2.308 -5.630 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.447 3.421 -3.815 1.00 0.00 N ATOM 0 H ASN B 3 12.124 -0.049 -6.170 1.00 0.00 H new ATOM 0 HA ASN B 3 9.328 0.807 -5.887 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.032 2.970 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.434 1.670 -3.921 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.398 3.779 -3.726 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.737 3.684 -3.132 1.00 0.00 H new ATOM 366 N GLN B 4 9.423 2.296 -7.886 1.00 0.00 N ATOM 367 CA GLN B 4 9.197 2.631 -9.301 1.00 0.00 C ATOM 368 C GLN B 4 8.343 3.901 -9.456 1.00 0.00 C ATOM 369 O GLN B 4 7.610 4.279 -8.541 1.00 0.00 O ATOM 370 CB GLN B 4 8.463 1.459 -9.992 1.00 0.00 C ATOM 371 CG GLN B 4 9.217 0.116 -10.005 1.00 0.00 C ATOM 372 CD GLN B 4 8.480 -0.951 -10.814 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.827 -1.836 -10.277 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.551 -0.915 -12.130 1.00 0.00 N ATOM 0 H GLN B 4 8.667 2.612 -7.279 1.00 0.00 H new ATOM 0 HA GLN B 4 10.169 2.809 -9.760 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.504 1.312 -9.496 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.249 1.745 -11.022 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.212 0.264 -10.424 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.350 -0.234 -8.981 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.091 -0.183 -12.592 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.066 -1.619 -12.686 1.00 0.00 H new ATOM 383 N HIS B 5 8.366 4.508 -10.650 1.00 0.00 N ATOM 384 CA HIS B 5 7.256 5.344 -11.118 1.00 0.00 C ATOM 385 C HIS B 5 6.157 4.449 -11.724 1.00 0.00 C ATOM 386 O HIS B 5 6.430 3.606 -12.584 1.00 0.00 O ATOM 387 CB HIS B 5 7.721 6.358 -12.175 1.00 0.00 C ATOM 388 CG HIS B 5 8.548 7.510 -11.661 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.146 8.493 -10.784 1.00 0.00 N ATOM 390 CD2 HIS B 5 9.807 7.847 -12.089 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.136 9.396 -10.687 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.177 9.050 -11.468 1.00 0.00 N ATOM 0 H HIS B 5 9.142 4.435 -11.308 1.00 0.00 H new ATOM 0 HA HIS B 5 6.867 5.896 -10.262 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.301 5.827 -12.930 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.841 6.762 -12.675 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.252 8.529 -10.294 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.410 7.283 -12.785 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.102 10.280 -10.067 1.00 0.00 H new ATOM 400 N LEU B 6 4.913 4.656 -11.296 1.00 0.00 N ATOM 401 CA LEU B 6 3.720 3.913 -11.703 1.00 0.00 C ATOM 402 C LEU B 6 2.526 4.880 -11.768 1.00 0.00 C ATOM 403 O LEU B 6 2.235 5.587 -10.803 1.00 0.00 O ATOM 404 CB LEU B 6 3.459 2.787 -10.682 1.00 0.00 C ATOM 405 CG LEU B 6 4.448 1.604 -10.720 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.209 0.718 -9.494 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.294 0.768 -12.000 1.00 0.00 C ATOM 0 H LEU B 6 4.698 5.387 -10.618 1.00 0.00 H new ATOM 0 HA LEU B 6 3.863 3.467 -12.687 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.476 3.219 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.453 2.400 -10.845 1.00 0.00 H new ATOM 0 HG LEU B 6 5.461 2.006 -10.711 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.903 -0.122 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.367 1.301 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.186 0.343 -9.510 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.009 -0.054 -11.986 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.282 0.368 -12.053 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.482 1.397 -12.870 1.00 0.00 H new ATOM 419 N CYS B 7 1.828 4.907 -12.904 1.00 0.00 N ATOM 420 CA CYS B 7 0.730 5.836 -13.195 1.00 0.00 C ATOM 421 C CYS B 7 -0.455 5.087 -13.819 1.00 0.00 C ATOM 422 O CYS B 7 -0.260 4.194 -14.652 1.00 0.00 O ATOM 423 CB CYS B 7 1.230 6.906 -14.181 1.00 0.00 C ATOM 424 SG CYS B 7 2.684 7.875 -13.681 1.00 0.00 S ATOM 0 H CYS B 7 2.016 4.263 -13.673 1.00 0.00 H new ATOM 0 HA CYS B 7 0.401 6.302 -12.266 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.459 6.414 -15.126 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.411 7.599 -14.373 1.00 0.00 H new ATOM 429 N GLY B 8 -1.681 5.455 -13.437 1.00 0.00 N ATOM 430 CA GLY B 8 -2.931 5.019 -14.083 1.00 0.00 C ATOM 431 C GLY B 8 -3.051 3.505 -14.247 1.00 0.00 C ATOM 432 O GLY B 8 -3.023 2.752 -13.273 1.00 0.00 O ATOM 0 H GLY B 8 -1.840 6.082 -12.648 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.776 5.378 -13.496 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.003 5.487 -15.065 1.00 0.00 H new ATOM 436 N SER B 9 -3.152 3.051 -15.496 1.00 0.00 N ATOM 437 CA SER B 9 -3.280 1.631 -15.858 1.00 0.00 C ATOM 438 C SER B 9 -2.091 0.785 -15.371 1.00 0.00 C ATOM 439 O SER B 9 -2.270 -0.359 -14.960 1.00 0.00 O ATOM 440 CB SER B 9 -3.400 1.501 -17.388 1.00 0.00 C ATOM 441 OG SER B 9 -4.453 2.318 -17.894 1.00 0.00 O ATOM 0 H SER B 9 -3.147 3.671 -16.306 1.00 0.00 H new ATOM 0 HA SER B 9 -4.175 1.252 -15.365 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.458 1.787 -17.855 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.584 0.460 -17.654 1.00 0.00 H new ATOM 0 HG SER B 9 -4.506 2.218 -18.867 1.00 0.00 H new ATOM 447 N HIS B 10 -0.882 1.352 -15.347 1.00 0.00 N ATOM 448 CA HIS B 10 0.321 0.668 -14.870 1.00 0.00 C ATOM 449 C HIS B 10 0.305 0.519 -13.338 1.00 0.00 C ATOM 450 O HIS B 10 0.655 -0.540 -12.817 1.00 0.00 O ATOM 451 CB HIS B 10 1.558 1.446 -15.348 1.00 0.00 C ATOM 452 CG HIS B 10 1.627 1.621 -16.845 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.022 0.672 -17.762 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.305 2.751 -17.549 1.00 0.00 C ATOM 455 CE1 HIS B 10 1.937 1.218 -18.988 1.00 0.00 C ATOM 456 NE2 HIS B 10 1.500 2.490 -18.913 1.00 0.00 N ATOM 0 H HIS B 10 -0.710 2.307 -15.661 1.00 0.00 H new ATOM 0 HA HIS B 10 0.353 -0.340 -15.282 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.562 2.429 -14.876 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.455 0.927 -15.011 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.960 3.683 -17.126 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.185 0.707 -19.907 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.343 3.132 -19.690 1.00 0.00 H new ATOM 464 N LEU B 11 -0.174 1.542 -12.613 1.00 0.00 N ATOM 465 CA LEU B 11 -0.413 1.483 -11.165 1.00 0.00 C ATOM 466 C LEU B 11 -1.499 0.453 -10.827 1.00 0.00 C ATOM 467 O LEU B 11 -1.294 -0.379 -9.947 1.00 0.00 O ATOM 468 CB LEU B 11 -0.757 2.903 -10.668 1.00 0.00 C ATOM 469 CG LEU B 11 -1.110 3.010 -9.170 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.021 2.492 -8.274 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.408 4.481 -8.832 1.00 0.00 C ATOM 0 H LEU B 11 -0.409 2.446 -13.023 1.00 0.00 H new ATOM 0 HA LEU B 11 0.484 1.145 -10.647 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.091 3.557 -10.872 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.598 3.280 -11.250 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.985 2.388 -8.981 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.271 2.587 -7.228 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.216 1.444 -8.503 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.924 3.076 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.659 4.568 -7.775 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.529 5.089 -9.048 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.247 4.830 -9.434 1.00 0.00 H new ATOM 483 N VAL B 12 -2.610 0.465 -11.566 1.00 0.00 N ATOM 484 CA VAL B 12 -3.718 -0.504 -11.432 1.00 0.00 C ATOM 485 C VAL B 12 -3.245 -1.949 -11.676 1.00 0.00 C ATOM 486 O VAL B 12 -3.595 -2.845 -10.906 1.00 0.00 O ATOM 487 CB VAL B 12 -4.883 -0.109 -12.374 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.903 -1.231 -12.635 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.632 1.100 -11.787 1.00 0.00 C ATOM 0 H VAL B 12 -2.776 1.161 -12.293 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.083 -0.471 -10.406 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.418 0.123 -13.332 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.682 -0.866 -13.304 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.399 -2.081 -13.095 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.351 -1.542 -11.691 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.451 1.377 -12.450 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.031 0.840 -10.807 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.945 1.940 -11.688 1.00 0.00 H new ATOM 499 N GLU B 13 -2.419 -2.172 -12.701 1.00 0.00 N ATOM 500 CA GLU B 13 -1.826 -3.483 -12.983 1.00 0.00 C ATOM 501 C GLU B 13 -0.858 -3.921 -11.867 1.00 0.00 C ATOM 502 O GLU B 13 -0.946 -5.043 -11.374 1.00 0.00 O ATOM 503 CB GLU B 13 -1.105 -3.432 -14.343 1.00 0.00 C ATOM 504 CG GLU B 13 -0.668 -4.807 -14.872 1.00 0.00 C ATOM 505 CD GLU B 13 -1.865 -5.644 -15.344 1.00 0.00 C ATOM 506 OE1 GLU B 13 -2.366 -5.402 -16.467 1.00 0.00 O ATOM 507 OE2 GLU B 13 -2.303 -6.563 -14.612 1.00 0.00 O ATOM 0 H GLU B 13 -2.141 -1.446 -13.362 1.00 0.00 H new ATOM 0 HA GLU B 13 -2.624 -4.225 -13.022 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -1.765 -2.966 -15.075 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -0.227 -2.793 -14.253 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.030 -4.673 -15.698 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.135 -5.345 -14.088 1.00 0.00 H new ATOM 514 N ALA B 14 0.033 -3.024 -11.421 1.00 0.00 N ATOM 515 CA ALA B 14 1.008 -3.308 -10.366 1.00 0.00 C ATOM 516 C ALA B 14 0.329 -3.677 -9.036 1.00 0.00 C ATOM 517 O ALA B 14 0.714 -4.661 -8.406 1.00 0.00 O ATOM 518 CB ALA B 14 1.939 -2.102 -10.218 1.00 0.00 C ATOM 0 H ALA B 14 0.095 -2.074 -11.787 1.00 0.00 H new ATOM 0 HA ALA B 14 1.595 -4.181 -10.650 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.670 -2.301 -9.435 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.456 -1.924 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.354 -1.221 -9.953 1.00 0.00 H new ATOM 524 N LEU B 15 -0.717 -2.941 -8.636 1.00 0.00 N ATOM 525 CA LEU B 15 -1.553 -3.257 -7.476 1.00 0.00 C ATOM 526 C LEU B 15 -2.120 -4.678 -7.574 1.00 0.00 C ATOM 527 O LEU B 15 -1.863 -5.501 -6.703 1.00 0.00 O ATOM 528 CB LEU B 15 -2.674 -2.200 -7.372 1.00 0.00 C ATOM 529 CG LEU B 15 -2.210 -0.884 -6.719 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.180 0.255 -7.050 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.125 -1.033 -5.193 1.00 0.00 C ATOM 0 H LEU B 15 -1.009 -2.093 -9.121 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.949 -3.226 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.057 -1.987 -8.370 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -3.501 -2.613 -6.794 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.222 -0.650 -7.117 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.834 1.175 -6.579 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.223 0.394 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.173 0.007 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.795 -0.092 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.107 -1.294 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -1.412 -1.819 -4.943 1.00 0.00 H new ATOM 543 N TYR B 16 -2.819 -5.010 -8.661 1.00 0.00 N ATOM 544 CA TYR B 16 -3.403 -6.344 -8.878 1.00 0.00 C ATOM 545 C TYR B 16 -2.364 -7.481 -8.854 1.00 0.00 C ATOM 546 O TYR B 16 -2.644 -8.568 -8.337 1.00 0.00 O ATOM 547 CB TYR B 16 -4.164 -6.298 -10.209 1.00 0.00 C ATOM 548 CG TYR B 16 -4.927 -7.559 -10.567 1.00 0.00 C ATOM 549 CD1 TYR B 16 -6.142 -7.858 -9.919 1.00 0.00 C ATOM 550 CD2 TYR B 16 -4.447 -8.415 -11.579 1.00 0.00 C ATOM 551 CE1 TYR B 16 -6.893 -8.982 -10.311 1.00 0.00 C ATOM 552 CE2 TYR B 16 -5.182 -9.551 -11.959 1.00 0.00 C ATOM 553 CZ TYR B 16 -6.417 -9.835 -11.332 1.00 0.00 C ATOM 554 OH TYR B 16 -7.148 -10.929 -11.691 1.00 0.00 O ATOM 0 H TYR B 16 -3.000 -4.358 -9.425 1.00 0.00 H new ATOM 0 HA TYR B 16 -4.076 -6.576 -8.053 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.867 -5.465 -10.178 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.453 -6.085 -11.007 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.497 -7.224 -9.120 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -3.508 -8.196 -12.066 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.836 -9.193 -9.830 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.804 -10.207 -12.729 1.00 0.00 H new ATOM 0 HH TYR B 16 -6.685 -11.411 -12.407 1.00 0.00 H new ATOM 564 N LEU B 17 -1.145 -7.220 -9.343 1.00 0.00 N ATOM 565 CA LEU B 17 -0.011 -8.153 -9.302 1.00 0.00 C ATOM 566 C LEU B 17 0.625 -8.285 -7.911 1.00 0.00 C ATOM 567 O LEU B 17 0.935 -9.402 -7.496 1.00 0.00 O ATOM 568 CB LEU B 17 1.031 -7.742 -10.363 1.00 0.00 C ATOM 569 CG LEU B 17 0.593 -7.982 -11.825 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.641 -7.373 -12.769 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.425 -9.471 -12.151 1.00 0.00 C ATOM 0 H LEU B 17 -0.914 -6.332 -9.789 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.398 -9.145 -9.534 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.261 -6.684 -10.236 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.953 -8.293 -10.179 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.378 -7.506 -11.960 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.339 -7.538 -13.803 1.00 0.00 H new ATOM 0 HD12 LEU B 17 1.721 -6.302 -12.581 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.607 -7.846 -12.593 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.116 -9.583 -13.190 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.373 -9.987 -11.996 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.334 -9.903 -11.499 1.00 0.00 H new ATOM 583 N VAL B 18 0.785 -7.185 -7.173 1.00 0.00 N ATOM 584 CA VAL B 18 1.269 -7.191 -5.775 1.00 0.00 C ATOM 585 C VAL B 18 0.282 -7.911 -4.855 1.00 0.00 C ATOM 586 O VAL B 18 0.691 -8.707 -4.012 1.00 0.00 O ATOM 587 CB VAL B 18 1.542 -5.760 -5.254 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.716 -5.671 -3.728 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.836 -5.219 -5.890 1.00 0.00 C ATOM 0 H VAL B 18 0.582 -6.250 -7.526 1.00 0.00 H new ATOM 0 HA VAL B 18 2.214 -7.735 -5.767 1.00 0.00 H new ATOM 0 HB VAL B 18 0.663 -5.176 -5.528 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.904 -4.636 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.809 -6.024 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.559 -6.290 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.028 -4.211 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.671 -5.867 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.726 -5.195 -6.974 1.00 0.00 H new ATOM 599 N CYS B 19 -1.015 -7.656 -5.033 1.00 0.00 N ATOM 600 CA CYS B 19 -2.071 -8.285 -4.236 1.00 0.00 C ATOM 601 C CYS B 19 -2.296 -9.760 -4.611 1.00 0.00 C ATOM 602 O CYS B 19 -2.727 -10.546 -3.768 1.00 0.00 O ATOM 603 CB CYS B 19 -3.363 -7.463 -4.358 1.00 0.00 C ATOM 604 SG CYS B 19 -3.200 -5.718 -3.882 1.00 0.00 S ATOM 0 H CYS B 19 -1.365 -7.005 -5.736 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.751 -8.292 -3.194 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.713 -7.513 -5.389 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.131 -7.925 -3.737 1.00 0.00 H new ATOM 609 N GLY B 20 -1.967 -10.146 -5.851 1.00 0.00 N ATOM 610 CA GLY B 20 -1.958 -11.541 -6.318 1.00 0.00 C ATOM 611 C GLY B 20 -3.340 -12.010 -6.756 1.00 0.00 C ATOM 612 O GLY B 20 -3.812 -13.043 -6.288 1.00 0.00 O ATOM 0 H GLY B 20 -1.693 -9.482 -6.575 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.262 -11.639 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -1.593 -12.187 -5.520 1.00 0.00 H new ATOM 616 N GLU B 21 -4.001 -11.206 -7.596 1.00 0.00 N ATOM 617 CA GLU B 21 -5.365 -11.380 -8.138 1.00 0.00 C ATOM 618 C GLU B 21 -6.478 -11.001 -7.132 1.00 0.00 C ATOM 619 O GLU B 21 -7.651 -10.920 -7.503 1.00 0.00 O ATOM 620 CB GLU B 21 -5.607 -12.780 -8.747 1.00 0.00 C ATOM 621 CG GLU B 21 -4.591 -13.151 -9.838 1.00 0.00 C ATOM 622 CD GLU B 21 -4.918 -14.519 -10.456 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.695 -14.574 -11.436 1.00 0.00 O ATOM 624 OE2 GLU B 21 -4.389 -15.551 -9.978 1.00 0.00 O ATOM 0 H GLU B 21 -3.569 -10.350 -7.945 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.427 -10.665 -8.958 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.566 -13.526 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -6.612 -12.817 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.593 -12.387 -10.616 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.587 -13.171 -9.413 1.00 0.00 H new ATOM 631 N ARG B 22 -6.115 -10.727 -5.872 1.00 0.00 N ATOM 632 CA ARG B 22 -6.982 -10.120 -4.853 1.00 0.00 C ATOM 633 C ARG B 22 -7.352 -8.670 -5.204 1.00 0.00 C ATOM 634 O ARG B 22 -6.671 -8.011 -5.996 1.00 0.00 O ATOM 635 CB ARG B 22 -6.261 -10.164 -3.492 1.00 0.00 C ATOM 636 CG ARG B 22 -6.315 -11.552 -2.839 1.00 0.00 C ATOM 637 CD ARG B 22 -5.227 -11.745 -1.775 1.00 0.00 C ATOM 638 NE ARG B 22 -5.172 -10.641 -0.794 1.00 0.00 N ATOM 639 CZ ARG B 22 -4.080 -10.063 -0.309 1.00 0.00 C ATOM 640 NH1 ARG B 22 -2.886 -10.260 -0.830 1.00 0.00 N ATOM 641 NH2 ARG B 22 -4.182 -9.249 0.716 1.00 0.00 N ATOM 0 H ARG B 22 -5.178 -10.929 -5.522 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.910 -10.690 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.220 -9.871 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -6.714 -9.433 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -7.294 -11.697 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -6.205 -12.316 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -5.405 -12.682 -1.248 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.258 -11.835 -2.267 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.066 -10.286 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.776 -10.876 -1.636 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -2.071 -9.797 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -5.095 -9.065 1.133 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.348 -8.800 1.096 1.00 0.00 H new ATOM 655 N GLY B 23 -8.403 -8.162 -4.553 1.00 0.00 N ATOM 656 CA GLY B 23 -8.845 -6.765 -4.663 1.00 0.00 C ATOM 657 C GLY B 23 -7.806 -5.767 -4.141 1.00 0.00 C ATOM 658 O GLY B 23 -6.917 -6.118 -3.361 1.00 0.00 O ATOM 0 H GLY B 23 -8.982 -8.718 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -9.065 -6.540 -5.707 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.774 -6.638 -4.107 1.00 0.00 H new ATOM 662 N PHE B 24 -7.937 -4.519 -4.585 1.00 0.00 N ATOM 663 CA PHE B 24 -6.982 -3.430 -4.359 1.00 0.00 C ATOM 664 C PHE B 24 -7.669 -2.051 -4.408 1.00 0.00 C ATOM 665 O PHE B 24 -8.860 -1.951 -4.721 1.00 0.00 O ATOM 666 CB PHE B 24 -5.854 -3.540 -5.405 1.00 0.00 C ATOM 667 CG PHE B 24 -6.310 -3.387 -6.844 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.751 -4.513 -7.566 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.335 -2.117 -7.454 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.241 -4.367 -8.874 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.802 -1.973 -8.774 1.00 0.00 C ATOM 672 CZ PHE B 24 -7.268 -3.098 -9.477 1.00 0.00 C ATOM 0 H PHE B 24 -8.744 -4.224 -5.135 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.559 -3.523 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.104 -2.778 -5.192 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.366 -4.508 -5.293 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.712 -5.492 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.994 -1.251 -6.906 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.597 -5.230 -9.417 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.802 -1.001 -9.245 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.647 -2.987 -10.482 1.00 0.00 H new ATOM 682 N PHE B 25 -6.913 -0.984 -4.122 1.00 0.00 N ATOM 683 CA PHE B 25 -7.388 0.401 -4.159 1.00 0.00 C ATOM 684 C PHE B 25 -6.331 1.326 -4.781 1.00 0.00 C ATOM 685 O PHE B 25 -5.228 1.467 -4.257 1.00 0.00 O ATOM 686 CB PHE B 25 -7.764 0.835 -2.736 1.00 0.00 C ATOM 687 CG PHE B 25 -8.365 2.226 -2.640 1.00 0.00 C ATOM 688 CD1 PHE B 25 -7.532 3.344 -2.450 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.759 2.406 -2.731 1.00 0.00 C ATOM 690 CE1 PHE B 25 -8.093 4.631 -2.338 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.319 3.689 -2.615 1.00 0.00 C ATOM 692 CZ PHE B 25 -9.486 4.801 -2.416 1.00 0.00 C ATOM 0 H PHE B 25 -5.932 -1.063 -3.853 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.273 0.471 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.475 0.117 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.873 0.794 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -6.461 3.215 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.401 1.552 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.452 5.488 -2.192 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.389 3.820 -2.679 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.916 5.788 -2.323 1.00 0.00 H new ATOM 702 N TYR B 26 -6.679 1.965 -5.902 1.00 0.00 N ATOM 703 CA TYR B 26 -5.816 2.864 -6.678 1.00 0.00 C ATOM 704 C TYR B 26 -6.262 4.342 -6.653 1.00 0.00 C ATOM 705 O TYR B 26 -5.525 5.215 -7.117 1.00 0.00 O ATOM 706 CB TYR B 26 -5.836 2.349 -8.124 1.00 0.00 C ATOM 707 CG TYR B 26 -7.137 2.578 -8.883 1.00 0.00 C ATOM 708 CD1 TYR B 26 -8.194 1.649 -8.785 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.290 3.727 -9.685 1.00 0.00 C ATOM 710 CE1 TYR B 26 -9.403 1.875 -9.466 1.00 0.00 C ATOM 711 CE2 TYR B 26 -8.499 3.958 -10.368 1.00 0.00 C ATOM 712 CZ TYR B 26 -9.561 3.033 -10.260 1.00 0.00 C ATOM 713 OH TYR B 26 -10.732 3.243 -10.925 1.00 0.00 O ATOM 0 H TYR B 26 -7.608 1.867 -6.311 1.00 0.00 H new ATOM 0 HA TYR B 26 -4.821 2.854 -6.234 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.026 2.828 -8.673 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.625 1.280 -8.114 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -8.074 0.760 -8.184 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.477 4.432 -9.776 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -10.211 1.163 -9.382 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.615 4.844 -10.975 1.00 0.00 H new ATOM 0 HH TYR B 26 -10.678 4.085 -11.424 1.00 0.00 H new ATOM 723 N THR B 27 -7.486 4.610 -6.181 1.00 0.00 N ATOM 724 CA THR B 27 -8.244 5.852 -6.408 1.00 0.00 C ATOM 725 C THR B 27 -7.611 7.048 -5.670 1.00 0.00 C ATOM 726 O THR B 27 -7.224 6.883 -4.509 1.00 0.00 O ATOM 727 CB THR B 27 -9.703 5.638 -5.968 1.00 0.00 C ATOM 728 OG1 THR B 27 -10.159 4.402 -6.482 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.652 6.724 -6.473 1.00 0.00 C ATOM 0 H THR B 27 -7.999 3.941 -5.606 1.00 0.00 H new ATOM 0 HA THR B 27 -8.218 6.091 -7.471 1.00 0.00 H new ATOM 0 HB THR B 27 -9.708 5.665 -4.878 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.088 4.255 -6.206 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.664 6.513 -6.127 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.333 7.693 -6.090 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.637 6.742 -7.563 1.00 0.00 H new ATOM 737 N PRO B 28 -7.510 8.243 -6.287 1.00 0.00 N ATOM 738 CA PRO B 28 -7.009 9.448 -5.625 1.00 0.00 C ATOM 739 C PRO B 28 -8.018 10.006 -4.608 1.00 0.00 C ATOM 740 O PRO B 28 -9.205 9.679 -4.627 1.00 0.00 O ATOM 741 CB PRO B 28 -6.730 10.447 -6.753 1.00 0.00 C ATOM 742 CG PRO B 28 -7.753 10.059 -7.819 1.00 0.00 C ATOM 743 CD PRO B 28 -7.848 8.540 -7.675 1.00 0.00 C ATOM 0 HA PRO B 28 -6.110 9.237 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -6.864 11.477 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -5.709 10.361 -7.124 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.716 10.541 -7.648 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -7.424 10.349 -8.817 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.851 8.188 -7.916 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -7.162 8.040 -8.359 1.00 0.00 H new ATOM 751 N LYS B 29 -7.542 10.884 -3.719 1.00 0.00 N ATOM 752 CA LYS B 29 -8.391 11.602 -2.756 1.00 0.00 C ATOM 753 C LYS B 29 -9.231 12.717 -3.422 1.00 0.00 C ATOM 754 O LYS B 29 -8.834 13.294 -4.443 1.00 0.00 O ATOM 755 CB LYS B 29 -7.513 12.171 -1.624 1.00 0.00 C ATOM 756 CG LYS B 29 -6.660 11.158 -0.834 1.00 0.00 C ATOM 757 CD LYS B 29 -7.454 10.111 -0.031 1.00 0.00 C ATOM 758 CE LYS B 29 -7.819 8.859 -0.842 1.00 0.00 C ATOM 759 NZ LYS B 29 -8.565 7.873 -0.016 1.00 0.00 N ATOM 0 H LYS B 29 -6.552 11.119 -3.645 1.00 0.00 H new ATOM 0 HA LYS B 29 -9.105 10.890 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.844 12.917 -2.054 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.161 12.692 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -6.006 10.636 -1.533 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -6.017 11.708 -0.146 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -6.868 9.812 0.838 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -8.369 10.570 0.343 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -8.423 9.145 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -6.911 8.398 -1.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.796 7.040 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -7.978 7.582 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.444 8.306 0.333 1.00 0.00 H new ATOM 773 N THR B 30 -10.389 13.030 -2.825 1.00 0.00 N ATOM 774 CA THR B 30 -11.363 14.050 -3.287 1.00 0.00 C ATOM 775 C THR B 30 -10.782 15.471 -3.254 1.00 0.00 C ATOM 776 O THR B 30 -10.247 15.881 -2.197 1.00 0.00 O ATOM 777 CB THR B 30 -12.643 13.992 -2.445 1.00 0.00 C ATOM 778 OG1 THR B 30 -13.096 12.649 -2.386 1.00 0.00 O ATOM 779 CG2 THR B 30 -13.765 14.842 -3.037 1.00 0.00 C ATOM 780 OXT THR B 30 -10.854 16.173 -4.288 1.00 0.00 O ATOM 0 H THR B 30 -10.693 12.564 -1.970 1.00 0.00 H new ATOM 0 HA THR B 30 -11.598 13.814 -4.325 1.00 0.00 H new ATOM 0 HB THR B 30 -12.401 14.381 -1.456 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.914 12.603 -1.848 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.650 14.768 -2.405 1.00 0.00 H new ATOM 0 HG22 THR B 30 -13.444 15.882 -3.091 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.003 14.483 -4.038 1.00 0.00 H new TER 788 THR B 30