USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 389 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: B 27 THR OG1 : rot 180:sc= 0.166 USER MOD Set 1.2: B 29 LYS NZ :NH3+ -115:sc= 0.0884 (180deg=0.16) USER MOD Set 2.1: A 1 GLY N :NH3+ -150:sc= 0.478 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.446 K(o=0.92,f=-0.064) USER MOD Single : A 8 THR OG1 : rot -36:sc= 0.0963 USER MOD Single : A 9 SER OG : rot 180:sc= 0.129 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= -0.0203 X(o=-0.02,f=-0.048) USER MOD Single : A 18 ASN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 19 TYR OH : rot 17:sc= 0.108 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 1 PHE N :NH3+ -109:sc= 0.0545 (180deg=0) USER MOD Single : B 3 ASN : amide:sc=-0.00897 K(o=-0.009,f=-1.3!) USER MOD Single : B 4 GLN : amide:sc= 0.00629 X(o=0.0063,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-7.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.162 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 30 THR OG1 : rot 180:sc= 0.0286 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.851 -1.439 -1.356 1.00 25.00 N ATOM 2 CA GLY A 1 1.589 0.012 -1.525 1.00 25.00 C ATOM 3 C GLY A 1 1.209 0.333 -2.944 1.00 25.00 C ATOM 4 O GLY A 1 1.444 -0.481 -3.820 1.00 25.00 O ATOM 0 H1 GLY A 1 1.612 -1.724 -0.385 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.268 -1.978 -2.028 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.857 -1.634 -1.536 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.789 0.321 -0.852 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.477 0.580 -1.246 1.00 25.00 H new ATOM 10 N ILE A 2 0.604 1.488 -3.189 1.00 25.00 N ATOM 11 CA ILE A 2 0.035 1.787 -4.508 1.00 25.00 C ATOM 12 C ILE A 2 1.051 1.698 -5.655 1.00 25.00 C ATOM 13 O ILE A 2 0.734 1.192 -6.725 1.00 25.00 O ATOM 14 CB ILE A 2 -0.694 3.169 -4.489 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.602 3.286 -5.724 1.00 25.00 C ATOM 16 CG2 ILE A 2 0.317 4.356 -4.378 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.500 4.509 -5.729 1.00 25.00 C ATOM 0 H ILE A 2 0.492 2.232 -2.501 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.697 1.006 -4.714 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.319 3.228 -3.598 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.978 3.305 -6.618 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.224 2.393 -5.788 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.229 5.299 -4.368 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.892 4.259 -3.457 1.00 25.00 H new ATOM 0 HG23 ILE A 2 0.994 4.338 -5.232 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.106 4.512 -6.635 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.153 4.485 -4.856 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -1.888 5.410 -5.699 1.00 25.00 H new ATOM 29 N VAL A 3 2.287 2.112 -5.421 1.00 25.00 N ATOM 30 CA VAL A 3 3.304 2.029 -6.462 1.00 25.00 C ATOM 31 C VAL A 3 3.686 0.573 -6.733 1.00 25.00 C ATOM 32 O VAL A 3 3.838 0.187 -7.878 1.00 25.00 O ATOM 33 CB VAL A 3 4.543 2.917 -6.128 1.00 25.00 C ATOM 34 CG1 VAL A 3 5.177 2.525 -4.779 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.575 2.857 -7.265 1.00 25.00 C ATOM 0 H VAL A 3 2.608 2.503 -4.535 1.00 25.00 H new ATOM 0 HA VAL A 3 2.880 2.429 -7.383 1.00 25.00 H new ATOM 0 HB VAL A 3 4.198 3.947 -6.034 1.00 25.00 H new ATOM 0 HG11 VAL A 3 6.037 3.165 -4.581 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.443 2.647 -3.983 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.501 1.485 -4.818 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.431 3.483 -7.013 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.906 1.828 -7.402 1.00 25.00 H new ATOM 0 HG23 VAL A 3 5.121 3.218 -8.188 1.00 25.00 H new ATOM 45 N GLU A 4 3.768 -0.262 -5.704 1.00 25.00 N ATOM 46 CA GLU A 4 4.077 -1.675 -5.925 1.00 25.00 C ATOM 47 C GLU A 4 2.942 -2.311 -6.691 1.00 25.00 C ATOM 48 O GLU A 4 3.175 -3.031 -7.643 1.00 25.00 O ATOM 49 CB GLU A 4 4.264 -2.442 -4.613 1.00 25.00 C ATOM 50 CG GLU A 4 5.557 -2.123 -3.886 1.00 25.00 C ATOM 51 CD GLU A 4 5.497 -0.817 -3.140 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.465 -0.320 -2.739 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.650 -0.256 -2.988 1.00 25.00 O ATOM 0 H GLU A 4 3.629 0.003 -4.729 1.00 25.00 H new ATOM 0 HA GLU A 4 5.013 -1.723 -6.482 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.425 -2.221 -3.953 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.232 -3.511 -4.822 1.00 25.00 H new ATOM 0 HG2 GLU A 4 5.783 -2.927 -3.185 1.00 25.00 H new ATOM 0 HG3 GLU A 4 6.375 -2.088 -4.606 1.00 25.00 H new ATOM 61 N GLN A 5 1.715 -2.024 -6.284 1.00 25.00 N ATOM 62 CA GLN A 5 0.536 -2.581 -6.936 1.00 25.00 C ATOM 63 C GLN A 5 0.504 -2.194 -8.416 1.00 25.00 C ATOM 64 O GLN A 5 0.197 -3.022 -9.259 1.00 25.00 O ATOM 65 CB GLN A 5 -0.728 -2.089 -6.224 1.00 25.00 C ATOM 66 CG GLN A 5 -1.366 -3.131 -5.292 1.00 25.00 C ATOM 67 CD GLN A 5 -0.424 -3.635 -4.200 1.00 25.00 C ATOM 68 OE1 GLN A 5 0.031 -2.884 -3.339 1.00 25.00 O ATOM 69 NE2 GLN A 5 -0.139 -4.911 -4.227 1.00 25.00 N ATOM 0 H GLN A 5 1.507 -1.405 -5.500 1.00 25.00 H new ATOM 0 HA GLN A 5 0.578 -3.668 -6.873 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.483 -1.199 -5.644 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -1.461 -1.789 -6.973 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.250 -2.696 -4.825 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -1.705 -3.979 -5.887 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -0.533 -5.506 -4.955 1.00 25.00 H new ATOM 0 HE22 GLN A 5 0.478 -5.311 -3.520 1.00 25.00 H new ATOM 78 N CYS A 6 0.871 -0.959 -8.727 1.00 25.00 N ATOM 79 CA CYS A 6 0.911 -0.507 -10.116 1.00 25.00 C ATOM 80 C CYS A 6 2.077 -1.083 -10.919 1.00 25.00 C ATOM 81 O CYS A 6 1.950 -1.320 -12.123 1.00 25.00 O ATOM 82 CB CYS A 6 0.976 1.017 -10.153 1.00 25.00 C ATOM 83 SG CYS A 6 -0.680 1.747 -9.969 1.00 25.00 S ATOM 0 H CYS A 6 1.144 -0.254 -8.043 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.001 -0.874 -10.586 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.626 1.376 -9.355 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.418 1.343 -11.095 1.00 25.00 H new ATOM 88 N CYS A 7 3.209 -1.297 -10.266 1.00 25.00 N ATOM 89 CA CYS A 7 4.380 -1.846 -10.940 1.00 25.00 C ATOM 90 C CYS A 7 4.232 -3.348 -11.203 1.00 25.00 C ATOM 91 O CYS A 7 4.521 -3.819 -12.297 1.00 25.00 O ATOM 92 CB CYS A 7 5.640 -1.612 -10.098 1.00 25.00 C ATOM 93 SG CYS A 7 6.165 0.135 -10.040 1.00 25.00 S ATOM 0 H CYS A 7 3.344 -1.100 -9.274 1.00 25.00 H new ATOM 0 HA CYS A 7 4.469 -1.332 -11.897 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.458 -1.962 -9.082 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.454 -2.214 -10.502 1.00 25.00 H new ATOM 98 N THR A 8 3.838 -4.101 -10.183 1.00 25.00 N ATOM 99 CA THR A 8 3.776 -5.564 -10.284 1.00 25.00 C ATOM 100 C THR A 8 2.442 -6.083 -10.815 1.00 25.00 C ATOM 101 O THR A 8 2.349 -7.232 -11.248 1.00 25.00 O ATOM 102 CB THR A 8 4.105 -6.240 -8.918 1.00 25.00 C ATOM 103 OG1 THR A 8 4.443 -7.611 -9.137 1.00 25.00 O ATOM 104 CG2 THR A 8 2.935 -6.191 -7.936 1.00 25.00 C ATOM 0 H THR A 8 3.556 -3.729 -9.276 1.00 25.00 H new ATOM 0 HA THR A 8 4.536 -5.838 -11.016 1.00 25.00 H new ATOM 0 HB THR A 8 4.936 -5.685 -8.483 1.00 25.00 H new ATOM 0 HG1 THR A 8 3.892 -7.972 -9.862 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.222 -6.676 -7.003 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.670 -5.153 -7.738 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.078 -6.709 -8.366 1.00 25.00 H new ATOM 112 N SER A 9 1.410 -5.253 -10.800 1.00 25.00 N ATOM 113 CA SER A 9 0.101 -5.658 -11.299 1.00 25.00 C ATOM 114 C SER A 9 -0.507 -4.507 -12.085 1.00 25.00 C ATOM 115 O SER A 9 0.179 -3.554 -12.409 1.00 25.00 O ATOM 116 CB SER A 9 -0.815 -6.102 -10.153 1.00 25.00 C ATOM 117 OG SER A 9 -1.946 -6.800 -10.654 1.00 25.00 O ATOM 0 H SER A 9 1.451 -4.296 -10.449 1.00 25.00 H new ATOM 0 HA SER A 9 0.216 -6.517 -11.960 1.00 25.00 H new ATOM 0 HB2 SER A 9 -0.262 -6.742 -9.466 1.00 25.00 H new ATOM 0 HB3 SER A 9 -1.142 -5.231 -9.584 1.00 25.00 H new ATOM 0 HG SER A 9 -2.517 -7.076 -9.907 1.00 25.00 H new ATOM 123 N ILE A 10 -1.715 -4.689 -12.586 1.00 25.00 N ATOM 124 CA ILE A 10 -2.264 -3.759 -13.569 1.00 25.00 C ATOM 125 C ILE A 10 -2.671 -2.451 -12.900 1.00 25.00 C ATOM 126 O ILE A 10 -3.533 -2.416 -12.022 1.00 25.00 O ATOM 127 CB ILE A 10 -3.467 -4.391 -14.326 1.00 25.00 C ATOM 128 CG1 ILE A 10 -3.024 -5.683 -15.063 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.098 -3.372 -15.302 1.00 25.00 C ATOM 130 CD1 ILE A 10 -2.078 -5.479 -16.247 1.00 25.00 C ATOM 0 H ILE A 10 -2.332 -5.461 -12.335 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.486 -3.542 -14.301 1.00 25.00 H new ATOM 0 HB ILE A 10 -4.231 -4.665 -13.598 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.539 -6.342 -14.343 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.915 -6.200 -15.418 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.937 -3.836 -15.820 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.451 -2.504 -14.744 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.352 -3.056 -16.031 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -1.833 -6.445 -16.688 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.562 -4.851 -16.995 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.164 -4.995 -15.903 1.00 25.00 H new ATOM 142 N CYS A 11 -2.043 -1.372 -13.338 1.00 25.00 N ATOM 143 CA CYS A 11 -2.334 -0.044 -12.820 1.00 25.00 C ATOM 144 C CYS A 11 -3.441 0.564 -13.675 1.00 25.00 C ATOM 145 O CYS A 11 -3.197 1.401 -14.543 1.00 25.00 O ATOM 146 CB CYS A 11 -1.078 0.818 -12.862 1.00 25.00 C ATOM 147 SG CYS A 11 -1.152 2.337 -11.854 1.00 25.00 S ATOM 0 H CYS A 11 -1.321 -1.391 -14.058 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.662 -0.101 -11.782 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -0.232 0.218 -12.526 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -0.881 1.096 -13.897 1.00 25.00 H new ATOM 152 N SER A 12 -4.655 0.082 -13.463 1.00 25.00 N ATOM 153 CA SER A 12 -5.813 0.556 -14.210 1.00 25.00 C ATOM 154 C SER A 12 -6.049 2.032 -13.905 1.00 25.00 C ATOM 155 O SER A 12 -5.549 2.550 -12.911 1.00 25.00 O ATOM 156 CB SER A 12 -7.042 -0.256 -13.816 1.00 25.00 C ATOM 157 OG SER A 12 -6.782 -1.638 -13.961 1.00 25.00 O ATOM 0 H SER A 12 -4.866 -0.642 -12.776 1.00 25.00 H new ATOM 0 HA SER A 12 -5.630 0.435 -15.278 1.00 25.00 H new ATOM 0 HB2 SER A 12 -7.316 -0.037 -12.784 1.00 25.00 H new ATOM 0 HB3 SER A 12 -7.890 0.029 -14.439 1.00 25.00 H new ATOM 0 HG SER A 12 -7.577 -2.149 -13.704 1.00 25.00 H new ATOM 163 N LEU A 13 -6.858 2.694 -14.723 1.00 25.00 N ATOM 164 CA LEU A 13 -7.161 4.118 -14.528 1.00 25.00 C ATOM 165 C LEU A 13 -7.664 4.432 -13.114 1.00 25.00 C ATOM 166 O LEU A 13 -7.400 5.495 -12.587 1.00 25.00 O ATOM 167 CB LEU A 13 -8.173 4.594 -15.580 1.00 25.00 C ATOM 168 CG LEU A 13 -9.611 4.048 -15.477 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.527 5.053 -14.779 1.00 25.00 C ATOM 170 CD2 LEU A 13 -10.153 3.731 -16.862 1.00 25.00 C ATOM 0 H LEU A 13 -7.319 2.273 -15.530 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.225 4.663 -14.653 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.221 5.682 -15.533 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.783 4.334 -16.564 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.585 3.134 -14.884 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.536 4.645 -14.719 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.154 5.248 -13.774 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.546 5.984 -15.346 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.169 3.346 -16.776 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -10.158 4.638 -17.467 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.520 2.981 -17.338 1.00 25.00 H new ATOM 182 N TYR A 14 -8.342 3.481 -12.489 1.00 25.00 N ATOM 183 CA TYR A 14 -8.859 3.660 -11.136 1.00 25.00 C ATOM 184 C TYR A 14 -7.730 3.820 -10.117 1.00 25.00 C ATOM 185 O TYR A 14 -7.808 4.638 -9.216 1.00 25.00 O ATOM 186 CB TYR A 14 -9.709 2.449 -10.768 1.00 25.00 C ATOM 187 CG TYR A 14 -10.614 2.009 -11.899 1.00 25.00 C ATOM 188 CD1 TYR A 14 -11.756 2.757 -12.250 1.00 25.00 C ATOM 189 CD2 TYR A 14 -10.322 0.844 -12.638 1.00 25.00 C ATOM 190 CE1 TYR A 14 -12.589 2.351 -13.329 1.00 25.00 C ATOM 191 CE2 TYR A 14 -11.147 0.440 -13.722 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.269 1.199 -14.056 1.00 25.00 C ATOM 193 OH TYR A 14 -13.056 0.807 -15.107 1.00 25.00 O ATOM 0 H TYR A 14 -8.549 2.570 -12.899 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.458 4.570 -11.114 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -9.056 1.623 -10.488 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.315 2.687 -9.894 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.001 3.649 -11.693 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -9.459 0.250 -12.376 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.464 2.929 -13.586 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -10.907 -0.450 -14.285 1.00 25.00 H new ATOM 0 HH TYR A 14 -12.690 -0.012 -15.502 1.00 25.00 H new ATOM 203 N GLN A 15 -6.666 3.050 -10.290 1.00 25.00 N ATOM 204 CA GLN A 15 -5.497 3.144 -9.415 1.00 25.00 C ATOM 205 C GLN A 15 -4.800 4.471 -9.678 1.00 25.00 C ATOM 206 O GLN A 15 -4.381 5.158 -8.754 1.00 25.00 O ATOM 207 CB GLN A 15 -4.515 1.998 -9.697 1.00 25.00 C ATOM 208 CG GLN A 15 -5.027 0.614 -9.306 1.00 25.00 C ATOM 209 CD GLN A 15 -5.098 0.432 -7.800 1.00 25.00 C ATOM 210 OE1 GLN A 15 -4.117 0.607 -7.099 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.256 0.080 -7.306 1.00 25.00 N ATOM 0 H GLN A 15 -6.584 2.351 -11.028 1.00 25.00 H new ATOM 0 HA GLN A 15 -5.822 3.077 -8.377 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -4.275 1.996 -10.760 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -3.586 2.192 -9.161 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -6.017 0.460 -9.736 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -4.373 -0.147 -9.732 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.054 -0.057 -7.926 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.361 -0.058 -6.301 1.00 25.00 H new ATOM 220 N LEU A 16 -4.708 4.833 -10.948 1.00 25.00 N ATOM 221 CA LEU A 16 -4.045 6.070 -11.364 1.00 25.00 C ATOM 222 C LEU A 16 -4.744 7.313 -10.805 1.00 25.00 C ATOM 223 O LEU A 16 -4.083 8.263 -10.414 1.00 25.00 O ATOM 224 CB LEU A 16 -3.955 6.126 -12.893 1.00 25.00 C ATOM 225 CG LEU A 16 -2.961 5.116 -13.499 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.190 4.924 -14.987 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.517 5.568 -13.280 1.00 25.00 C ATOM 0 H LEU A 16 -5.087 4.284 -11.720 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.036 6.066 -10.951 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.944 5.943 -13.312 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.663 7.132 -13.193 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.132 4.168 -12.989 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.469 4.205 -15.376 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.201 4.552 -15.155 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -3.065 5.877 -15.500 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.837 4.837 -13.717 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.363 6.537 -13.755 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.320 5.653 -12.211 1.00 25.00 H new ATOM 239 N GLU A 17 -6.068 7.298 -10.724 1.00 25.00 N ATOM 240 CA GLU A 17 -6.821 8.429 -10.169 1.00 25.00 C ATOM 241 C GLU A 17 -6.428 8.767 -8.725 1.00 25.00 C ATOM 242 O GLU A 17 -6.490 9.916 -8.331 1.00 25.00 O ATOM 243 CB GLU A 17 -8.325 8.140 -10.205 1.00 25.00 C ATOM 244 CG GLU A 17 -8.953 8.319 -11.577 1.00 25.00 C ATOM 245 CD GLU A 17 -10.431 8.059 -11.569 1.00 25.00 C ATOM 246 OE1 GLU A 17 -11.257 8.918 -11.599 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.737 6.808 -11.542 1.00 25.00 O ATOM 0 H GLU A 17 -6.648 6.518 -11.034 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.574 9.286 -10.795 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.497 7.118 -9.868 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.829 8.798 -9.497 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.767 9.334 -11.929 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.472 7.644 -12.284 1.00 25.00 H new ATOM 255 N ASN A 18 -5.997 7.780 -7.951 1.00 25.00 N ATOM 256 CA ASN A 18 -5.597 8.024 -6.557 1.00 25.00 C ATOM 257 C ASN A 18 -4.333 8.884 -6.453 1.00 25.00 C ATOM 258 O ASN A 18 -4.103 9.536 -5.445 1.00 25.00 O ATOM 259 CB ASN A 18 -5.369 6.707 -5.817 1.00 25.00 C ATOM 260 CG ASN A 18 -6.642 5.950 -5.579 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.428 6.291 -4.720 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.847 4.911 -6.334 1.00 25.00 N ATOM 0 H ASN A 18 -5.913 6.810 -8.254 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.419 8.570 -6.094 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.683 6.085 -6.393 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -4.888 6.911 -4.860 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.692 4.352 -6.214 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.163 4.655 -7.046 1.00 25.00 H new ATOM 269 N TYR A 19 -3.489 8.839 -7.475 1.00 25.00 N ATOM 270 CA TYR A 19 -2.251 9.624 -7.483 1.00 25.00 C ATOM 271 C TYR A 19 -2.563 11.108 -7.722 1.00 25.00 C ATOM 272 O TYR A 19 -1.741 11.979 -7.431 1.00 25.00 O ATOM 273 CB TYR A 19 -1.335 9.157 -8.605 1.00 25.00 C ATOM 274 CG TYR A 19 -0.703 7.800 -8.404 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.381 6.624 -8.768 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.596 7.687 -7.871 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.772 5.354 -8.622 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.209 6.416 -7.716 1.00 25.00 C ATOM 279 CZ TYR A 19 0.520 5.265 -8.103 1.00 25.00 C ATOM 280 OH TYR A 19 1.114 4.040 -7.967 1.00 25.00 O ATOM 0 H TYR A 19 -3.634 8.270 -8.309 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.765 9.489 -6.517 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.906 9.139 -9.533 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.541 9.893 -8.733 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.383 6.690 -9.166 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.132 8.577 -7.577 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.304 4.460 -8.911 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.203 6.340 -7.301 1.00 25.00 H new ATOM 0 HH TYR A 19 0.635 3.382 -8.513 1.00 25.00 H new ATOM 290 N CYS A 20 -3.726 11.390 -8.294 1.00 25.00 N ATOM 291 CA CYS A 20 -4.126 12.761 -8.596 1.00 25.00 C ATOM 292 C CYS A 20 -4.560 13.482 -7.323 1.00 25.00 C ATOM 293 O CYS A 20 -5.662 13.294 -6.820 1.00 25.00 O ATOM 294 CB CYS A 20 -5.279 12.778 -9.606 1.00 25.00 C ATOM 295 SG CYS A 20 -4.768 12.413 -11.316 1.00 25.00 S ATOM 0 H CYS A 20 -4.413 10.685 -8.560 1.00 25.00 H new ATOM 0 HA CYS A 20 -3.266 13.275 -9.027 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -6.029 12.050 -9.298 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -5.756 13.758 -9.581 1.00 25.00 H new ATOM 300 N ASN A 21 -3.670 14.332 -6.814 1.00 25.00 N ATOM 301 CA ASN A 21 -3.917 15.137 -5.611 1.00 25.00 C ATOM 302 C ASN A 21 -4.021 16.628 -5.920 1.00 25.00 C ATOM 303 O ASN A 21 -4.942 17.327 -5.574 1.00 25.00 O ATOM 304 CB ASN A 21 -2.844 14.858 -4.546 1.00 25.00 C ATOM 305 CG ASN A 21 -2.999 15.798 -3.389 1.00 25.00 C ATOM 306 OD1 ASN A 21 -2.374 16.821 -3.277 1.00 25.00 O ATOM 307 ND2 ASN A 21 -3.867 15.435 -2.458 1.00 25.00 N ATOM 308 OXT ASN A 21 -3.039 17.106 -6.618 1.00 25.00 O ATOM 0 H ASN A 21 -2.749 14.485 -7.225 1.00 25.00 H new ATOM 0 HA ASN A 21 -4.886 14.837 -5.212 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -2.926 13.828 -4.199 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -1.852 14.969 -4.983 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -4.011 16.024 -1.637 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -4.392 14.567 -2.561 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -9.177 2.445 -22.209 1.00 25.00 N ATOM 318 CA PHE B 1 -7.900 2.209 -21.479 1.00 25.00 C ATOM 319 C PHE B 1 -7.352 0.842 -21.832 1.00 25.00 C ATOM 320 O PHE B 1 -8.130 -0.063 -22.078 1.00 25.00 O ATOM 321 CB PHE B 1 -8.152 2.296 -19.966 1.00 25.00 C ATOM 322 CG PHE B 1 -6.892 2.382 -19.141 1.00 25.00 C ATOM 323 CD1 PHE B 1 -6.273 3.628 -18.917 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.316 1.222 -18.582 1.00 25.00 C ATOM 325 CE1 PHE B 1 -5.089 3.721 -18.142 1.00 25.00 C ATOM 326 CE2 PHE B 1 -5.126 1.305 -17.816 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.513 2.556 -17.596 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.027 3.159 -22.950 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.497 1.557 -22.645 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.900 2.784 -21.543 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.173 2.968 -21.768 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.770 3.170 -19.760 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.722 1.422 -19.651 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.705 4.523 -19.340 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.786 0.262 -18.739 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.629 4.683 -17.970 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.688 0.409 -17.400 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.607 2.621 -17.012 1.00 25.00 H new ATOM 339 N VAL B 2 -6.034 0.689 -21.882 1.00 25.00 N ATOM 340 CA VAL B 2 -5.418 -0.602 -22.204 1.00 25.00 C ATOM 341 C VAL B 2 -4.685 -1.075 -20.962 1.00 25.00 C ATOM 342 O VAL B 2 -3.852 -0.348 -20.420 1.00 25.00 O ATOM 343 CB VAL B 2 -4.414 -0.478 -23.391 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.771 -1.840 -23.709 1.00 25.00 C ATOM 345 CG2 VAL B 2 -5.129 0.062 -24.642 1.00 25.00 C ATOM 0 H VAL B 2 -5.367 1.440 -21.704 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.190 -1.310 -22.506 1.00 25.00 H new ATOM 0 HB VAL B 2 -3.629 0.219 -23.097 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -3.075 -1.728 -24.540 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.234 -2.203 -22.832 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -4.548 -2.555 -23.980 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -4.416 0.143 -25.462 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.931 -0.619 -24.925 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -5.547 1.045 -24.426 1.00 25.00 H new ATOM 355 N ASN B 3 -5.022 -2.265 -20.485 1.00 25.00 N ATOM 356 CA ASN B 3 -4.394 -2.790 -19.278 1.00 25.00 C ATOM 357 C ASN B 3 -2.933 -3.057 -19.511 1.00 25.00 C ATOM 358 O ASN B 3 -2.565 -3.756 -20.445 1.00 25.00 O ATOM 359 CB ASN B 3 -5.007 -4.116 -18.848 1.00 25.00 C ATOM 360 CG ASN B 3 -6.394 -3.957 -18.281 1.00 25.00 C ATOM 361 OD1 ASN B 3 -6.741 -2.913 -17.755 1.00 25.00 O ATOM 362 ND2 ASN B 3 -7.194 -4.982 -18.394 1.00 25.00 N ATOM 0 H ASN B 3 -5.718 -2.880 -20.908 1.00 25.00 H new ATOM 0 HA ASN B 3 -4.546 -2.033 -18.508 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -5.044 -4.790 -19.704 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -4.365 -4.584 -18.102 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.147 -4.927 -18.036 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.866 -5.838 -18.841 1.00 25.00 H new ATOM 369 N GLN B 4 -2.113 -2.554 -18.613 1.00 25.00 N ATOM 370 CA GLN B 4 -0.700 -2.818 -18.635 1.00 25.00 C ATOM 371 C GLN B 4 -0.217 -2.504 -17.231 1.00 25.00 C ATOM 372 O GLN B 4 -0.850 -1.748 -16.493 1.00 25.00 O ATOM 373 CB GLN B 4 0.004 -1.941 -19.686 1.00 25.00 C ATOM 374 CG GLN B 4 -0.153 -0.443 -19.463 1.00 25.00 C ATOM 375 CD GLN B 4 0.178 0.363 -20.694 1.00 25.00 C ATOM 376 OE1 GLN B 4 1.312 0.765 -20.907 1.00 25.00 O ATOM 377 NE2 GLN B 4 -0.817 0.619 -21.505 1.00 25.00 N ATOM 0 H GLN B 4 -2.413 -1.950 -17.848 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.478 -3.849 -18.912 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.066 -2.186 -19.693 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.387 -2.192 -20.672 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -1.178 -0.230 -19.158 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.495 -0.131 -18.644 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -1.751 0.266 -21.294 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -0.659 1.171 -22.348 1.00 25.00 H new ATOM 386 N HIS B 5 0.892 -3.105 -16.863 1.00 25.00 N ATOM 387 CA HIS B 5 1.591 -2.739 -15.630 1.00 25.00 C ATOM 388 C HIS B 5 2.310 -1.410 -15.901 1.00 25.00 C ATOM 389 O HIS B 5 2.834 -1.225 -16.996 1.00 25.00 O ATOM 390 CB HIS B 5 2.618 -3.813 -15.257 1.00 25.00 C ATOM 391 CG HIS B 5 2.037 -5.190 -15.159 1.00 25.00 C ATOM 392 ND1 HIS B 5 0.928 -5.494 -14.395 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.398 -6.372 -15.713 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.667 -6.793 -14.500 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.541 -7.337 -15.289 1.00 25.00 N ATOM 0 H HIS B 5 1.338 -3.852 -17.395 1.00 25.00 H new ATOM 0 HA HIS B 5 0.886 -2.648 -14.803 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.415 -3.816 -16.001 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.074 -3.551 -14.302 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.232 -6.523 -16.383 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -0.142 -7.312 -14.008 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.579 -8.323 -15.547 1.00 25.00 H new ATOM 404 N LEU B 6 2.332 -0.494 -14.939 1.00 25.00 N ATOM 405 CA LEU B 6 3.009 0.796 -15.109 1.00 25.00 C ATOM 406 C LEU B 6 3.990 1.033 -13.968 1.00 25.00 C ATOM 407 O LEU B 6 3.606 1.034 -12.806 1.00 25.00 O ATOM 408 CB LEU B 6 1.997 1.946 -15.090 1.00 25.00 C ATOM 409 CG LEU B 6 1.180 2.343 -16.329 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.988 2.267 -17.626 1.00 25.00 C ATOM 411 CD2 LEU B 6 -0.105 1.565 -16.474 1.00 25.00 C ATOM 0 H LEU B 6 1.889 -0.617 -14.029 1.00 25.00 H new ATOM 0 HA LEU B 6 3.530 0.767 -16.066 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.279 1.718 -14.302 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.542 2.837 -14.776 1.00 25.00 H new ATOM 0 HG LEU B 6 0.916 3.386 -16.155 1.00 25.00 H new ATOM 0 HD11 LEU B 6 1.357 2.559 -18.465 1.00 25.00 H new ATOM 0 HD12 LEU B 6 2.842 2.941 -17.563 1.00 25.00 H new ATOM 0 HD13 LEU B 6 2.341 1.247 -17.775 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -0.632 1.896 -17.369 1.00 25.00 H new ATOM 0 HD22 LEU B 6 0.121 0.502 -16.558 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -0.734 1.734 -15.600 1.00 25.00 H new ATOM 423 N CYS B 7 5.248 1.276 -14.306 1.00 25.00 N ATOM 424 CA CYS B 7 6.273 1.536 -13.298 1.00 25.00 C ATOM 425 C CYS B 7 7.265 2.560 -13.836 1.00 25.00 C ATOM 426 O CYS B 7 7.368 2.744 -15.054 1.00 25.00 O ATOM 427 CB CYS B 7 6.999 0.231 -12.960 1.00 25.00 C ATOM 428 SG CYS B 7 7.754 0.214 -11.302 1.00 25.00 S ATOM 0 H CYS B 7 5.586 1.299 -15.268 1.00 25.00 H new ATOM 0 HA CYS B 7 5.808 1.930 -12.394 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.293 -0.596 -13.035 1.00 25.00 H new ATOM 0 HB3 CYS B 7 7.776 0.056 -13.704 1.00 25.00 H new ATOM 433 N GLY B 8 7.999 3.217 -12.949 1.00 25.00 N ATOM 434 CA GLY B 8 9.000 4.185 -13.373 1.00 25.00 C ATOM 435 C GLY B 8 8.395 5.332 -14.160 1.00 25.00 C ATOM 436 O GLY B 8 7.275 5.759 -13.893 1.00 25.00 O ATOM 0 H GLY B 8 7.921 3.099 -11.939 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.514 4.580 -12.497 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.751 3.684 -13.984 1.00 25.00 H new ATOM 440 N SER B 9 9.111 5.799 -15.172 1.00 25.00 N ATOM 441 CA SER B 9 8.632 6.883 -16.028 1.00 25.00 C ATOM 442 C SER B 9 7.329 6.533 -16.744 1.00 25.00 C ATOM 443 O SER B 9 6.531 7.409 -17.048 1.00 25.00 O ATOM 444 CB SER B 9 9.710 7.193 -17.061 1.00 25.00 C ATOM 445 OG SER B 9 10.958 6.688 -16.605 1.00 25.00 O ATOM 0 H SER B 9 10.033 5.443 -15.425 1.00 25.00 H new ATOM 0 HA SER B 9 8.428 7.747 -15.396 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.451 6.743 -18.020 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.777 8.269 -17.222 1.00 25.00 H new ATOM 0 HG SER B 9 11.652 6.884 -17.268 1.00 25.00 H new ATOM 451 N HIS B 10 7.089 5.253 -16.989 1.00 25.00 N ATOM 452 CA HIS B 10 5.851 4.836 -17.648 1.00 25.00 C ATOM 453 C HIS B 10 4.631 5.108 -16.770 1.00 25.00 C ATOM 454 O HIS B 10 3.553 5.383 -17.283 1.00 25.00 O ATOM 455 CB HIS B 10 5.920 3.355 -18.035 1.00 25.00 C ATOM 456 CG HIS B 10 6.255 3.135 -19.477 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.312 3.207 -20.507 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.429 2.856 -20.104 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.922 2.980 -21.662 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.193 2.766 -21.441 1.00 25.00 N ATOM 0 H HIS B 10 7.723 4.491 -16.747 1.00 25.00 H new ATOM 0 HA HIS B 10 5.742 5.428 -18.557 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.668 2.859 -17.416 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.962 2.884 -17.816 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.387 2.728 -19.622 1.00 25.00 H new ATOM 0 HE1 HIS B 10 5.445 2.973 -22.631 1.00 25.00 H new ATOM 0 HE2 HIS B 10 7.893 2.564 -22.155 1.00 25.00 H new ATOM 469 N LEU B 11 4.807 5.083 -15.456 1.00 25.00 N ATOM 470 CA LEU B 11 3.713 5.408 -14.536 1.00 25.00 C ATOM 471 C LEU B 11 3.372 6.888 -14.671 1.00 25.00 C ATOM 472 O LEU B 11 2.211 7.265 -14.733 1.00 25.00 O ATOM 473 CB LEU B 11 4.127 5.086 -13.091 1.00 25.00 C ATOM 474 CG LEU B 11 3.078 5.294 -11.986 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.871 4.389 -12.172 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.719 5.011 -10.629 1.00 25.00 C ATOM 0 H LEU B 11 5.688 4.844 -15.001 1.00 25.00 H new ATOM 0 HA LEU B 11 2.836 4.810 -14.784 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.448 4.045 -13.058 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.997 5.696 -12.847 1.00 25.00 H new ATOM 0 HG LEU B 11 2.731 6.326 -12.040 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.155 4.568 -11.370 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.401 4.602 -13.132 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.190 3.347 -12.147 1.00 25.00 H new ATOM 0 HD21 LEU B 11 2.981 5.157 -9.840 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.079 3.982 -10.604 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.556 5.692 -10.473 1.00 25.00 H new ATOM 488 N VAL B 12 4.401 7.710 -14.772 1.00 25.00 N ATOM 489 CA VAL B 12 4.234 9.155 -14.925 1.00 25.00 C ATOM 490 C VAL B 12 3.537 9.473 -16.251 1.00 25.00 C ATOM 491 O VAL B 12 2.644 10.311 -16.310 1.00 25.00 O ATOM 492 CB VAL B 12 5.625 9.861 -14.867 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.488 11.368 -15.008 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.336 9.520 -13.544 1.00 25.00 C ATOM 0 H VAL B 12 5.373 7.403 -14.751 1.00 25.00 H new ATOM 0 HA VAL B 12 3.614 9.525 -14.109 1.00 25.00 H new ATOM 0 HB VAL B 12 6.221 9.496 -15.703 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.475 11.829 -14.963 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.021 11.603 -15.964 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.870 11.755 -14.198 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.305 10.017 -13.513 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.727 9.859 -12.706 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.479 8.442 -13.475 1.00 25.00 H new ATOM 504 N GLU B 13 3.900 8.754 -17.304 1.00 25.00 N ATOM 505 CA GLU B 13 3.286 8.951 -18.620 1.00 25.00 C ATOM 506 C GLU B 13 1.793 8.635 -18.581 1.00 25.00 C ATOM 507 O GLU B 13 0.998 9.272 -19.261 1.00 25.00 O ATOM 508 CB GLU B 13 3.957 8.046 -19.654 1.00 25.00 C ATOM 509 CG GLU B 13 5.353 8.495 -20.068 1.00 25.00 C ATOM 510 CD GLU B 13 6.013 7.524 -21.004 1.00 25.00 C ATOM 511 OE1 GLU B 13 6.035 6.331 -20.821 1.00 25.00 O ATOM 512 OE2 GLU B 13 6.550 8.085 -22.039 1.00 25.00 O ATOM 0 H GLU B 13 4.616 8.028 -17.278 1.00 25.00 H new ATOM 0 HA GLU B 13 3.421 9.997 -18.897 1.00 25.00 H new ATOM 0 HB2 GLU B 13 4.018 7.035 -19.250 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.326 7.997 -20.541 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.290 9.472 -20.547 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.972 8.616 -19.179 1.00 25.00 H new ATOM 520 N ALA B 14 1.415 7.655 -17.777 1.00 25.00 N ATOM 521 CA ALA B 14 0.023 7.258 -17.672 1.00 25.00 C ATOM 522 C ALA B 14 -0.761 8.300 -16.875 1.00 25.00 C ATOM 523 O ALA B 14 -1.921 8.569 -17.164 1.00 25.00 O ATOM 524 CB ALA B 14 -0.067 5.897 -17.011 1.00 25.00 C ATOM 0 H ALA B 14 2.053 7.120 -17.188 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.413 7.193 -18.669 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.113 5.599 -16.932 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.475 5.165 -17.610 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.372 5.947 -16.015 1.00 25.00 H new ATOM 530 N LEU B 15 -0.116 8.898 -15.886 1.00 25.00 N ATOM 531 CA LEU B 15 -0.765 9.915 -15.065 1.00 25.00 C ATOM 532 C LEU B 15 -1.107 11.162 -15.867 1.00 25.00 C ATOM 533 O LEU B 15 -2.131 11.783 -15.609 1.00 25.00 O ATOM 534 CB LEU B 15 0.114 10.287 -13.866 1.00 25.00 C ATOM 535 CG LEU B 15 0.181 9.240 -12.743 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.202 9.647 -11.683 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.181 9.058 -12.103 1.00 25.00 C ATOM 0 H LEU B 15 0.852 8.700 -15.631 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.699 9.485 -14.703 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.126 10.475 -14.224 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.254 11.223 -13.445 1.00 25.00 H new ATOM 0 HG LEU B 15 0.494 8.294 -13.184 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.232 8.891 -10.898 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.187 9.734 -12.141 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.916 10.607 -11.252 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.114 8.313 -11.310 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.515 10.006 -11.682 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.895 8.724 -12.856 1.00 25.00 H new ATOM 549 N TYR B 16 -0.323 11.482 -16.887 1.00 25.00 N ATOM 550 CA TYR B 16 -0.653 12.617 -17.760 1.00 25.00 C ATOM 551 C TYR B 16 -2.002 12.400 -18.432 1.00 25.00 C ATOM 552 O TYR B 16 -2.763 13.336 -18.614 1.00 25.00 O ATOM 553 CB TYR B 16 0.405 12.820 -18.848 1.00 25.00 C ATOM 554 CG TYR B 16 1.620 13.592 -18.389 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.559 14.992 -18.216 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.842 12.940 -18.136 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.700 15.723 -17.784 1.00 25.00 C ATOM 558 CE2 TYR B 16 3.986 13.670 -17.717 1.00 25.00 C ATOM 559 CZ TYR B 16 3.900 15.052 -17.540 1.00 25.00 C ATOM 560 OH TYR B 16 5.006 15.747 -17.124 1.00 25.00 O ATOM 0 H TYR B 16 0.533 10.986 -17.134 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.687 13.504 -17.127 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.725 11.845 -19.216 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -0.049 13.344 -19.689 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.635 15.514 -18.414 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.910 11.870 -18.262 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.639 16.792 -17.645 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.919 13.158 -17.536 1.00 25.00 H new ATOM 0 HH TYR B 16 5.755 15.127 -17.000 1.00 25.00 H new ATOM 570 N LEU B 17 -2.304 11.163 -18.794 1.00 25.00 N ATOM 571 CA LEU B 17 -3.581 10.864 -19.435 1.00 25.00 C ATOM 572 C LEU B 17 -4.757 10.948 -18.469 1.00 25.00 C ATOM 573 O LEU B 17 -5.824 11.431 -18.818 1.00 25.00 O ATOM 574 CB LEU B 17 -3.561 9.453 -20.021 1.00 25.00 C ATOM 575 CG LEU B 17 -2.486 9.139 -21.072 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.510 7.638 -21.379 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.700 9.938 -22.358 1.00 25.00 C ATOM 0 H LEU B 17 -1.693 10.357 -18.659 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.713 11.614 -20.215 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.443 8.748 -19.198 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.536 9.260 -20.469 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.515 9.426 -20.667 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.749 7.407 -22.125 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -2.306 7.077 -20.467 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.491 7.361 -21.764 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.919 9.688 -23.076 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.674 9.693 -22.781 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.659 11.004 -22.135 1.00 25.00 H new ATOM 589 N VAL B 18 -4.577 10.401 -17.276 1.00 25.00 N ATOM 590 CA VAL B 18 -5.682 10.270 -16.320 1.00 25.00 C ATOM 591 C VAL B 18 -5.960 11.579 -15.593 1.00 25.00 C ATOM 592 O VAL B 18 -7.115 11.960 -15.390 1.00 25.00 O ATOM 593 CB VAL B 18 -5.381 9.133 -15.303 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.543 8.944 -14.318 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.135 7.824 -16.067 1.00 25.00 C ATOM 0 H VAL B 18 -3.683 10.040 -16.942 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.579 10.015 -16.883 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.495 9.407 -14.731 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.302 8.142 -13.620 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.706 9.869 -13.765 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.448 8.686 -14.868 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.923 7.023 -15.358 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -6.022 7.570 -16.648 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.285 7.949 -16.738 1.00 25.00 H new ATOM 605 N CYS B 19 -4.912 12.304 -15.241 1.00 25.00 N ATOM 606 CA CYS B 19 -5.098 13.603 -14.613 1.00 25.00 C ATOM 607 C CYS B 19 -5.382 14.648 -15.690 1.00 25.00 C ATOM 608 O CYS B 19 -5.976 15.692 -15.414 1.00 25.00 O ATOM 609 CB CYS B 19 -3.873 13.998 -13.788 1.00 25.00 C ATOM 610 SG CYS B 19 -4.263 14.249 -12.024 1.00 25.00 S ATOM 0 H CYS B 19 -3.941 12.024 -15.375 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.947 13.546 -13.931 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.112 13.223 -13.881 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.446 14.914 -14.195 1.00 25.00 H new ATOM 615 N GLY B 20 -4.996 14.361 -16.926 1.00 25.00 N ATOM 616 CA GLY B 20 -5.229 15.299 -18.007 1.00 25.00 C ATOM 617 C GLY B 20 -4.393 16.554 -17.845 1.00 25.00 C ATOM 618 O GLY B 20 -3.405 16.582 -17.109 1.00 25.00 O ATOM 0 H GLY B 20 -4.527 13.498 -17.199 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.993 14.824 -18.959 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.285 15.566 -18.037 1.00 25.00 H new ATOM 622 N GLU B 21 -4.823 17.619 -18.508 1.00 25.00 N ATOM 623 CA GLU B 21 -4.123 18.906 -18.468 1.00 25.00 C ATOM 624 C GLU B 21 -4.135 19.582 -17.089 1.00 25.00 C ATOM 625 O GLU B 21 -3.483 20.599 -16.892 1.00 25.00 O ATOM 626 CB GLU B 21 -4.744 19.850 -19.504 1.00 25.00 C ATOM 627 CG GLU B 21 -3.724 20.743 -20.210 1.00 25.00 C ATOM 628 CD GLU B 21 -2.810 19.965 -21.114 1.00 25.00 C ATOM 629 OE1 GLU B 21 -3.191 19.183 -21.937 1.00 25.00 O ATOM 630 OE2 GLU B 21 -1.562 20.197 -20.909 1.00 25.00 O ATOM 0 H GLU B 21 -5.662 17.621 -19.088 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.078 18.697 -18.697 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -5.274 19.258 -20.250 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -5.485 20.479 -19.011 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.249 21.499 -20.793 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -3.130 21.271 -19.464 1.00 25.00 H new ATOM 638 N ARG B 22 -4.867 19.012 -16.134 1.00 25.00 N ATOM 639 CA ARG B 22 -4.912 19.551 -14.767 1.00 25.00 C ATOM 640 C ARG B 22 -3.550 19.418 -14.097 1.00 25.00 C ATOM 641 O ARG B 22 -3.221 20.171 -13.191 1.00 25.00 O ATOM 642 CB ARG B 22 -5.946 18.797 -13.924 1.00 25.00 C ATOM 643 CG ARG B 22 -7.385 18.948 -14.417 1.00 25.00 C ATOM 644 CD ARG B 22 -8.350 18.095 -13.595 1.00 25.00 C ATOM 645 NE ARG B 22 -8.150 16.656 -13.848 1.00 25.00 N ATOM 646 CZ ARG B 22 -8.843 15.670 -13.290 1.00 25.00 C ATOM 647 NH1 ARG B 22 -9.799 15.891 -12.420 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.574 14.439 -13.620 1.00 25.00 N ATOM 0 H ARG B 22 -5.438 18.179 -16.276 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.190 20.603 -14.834 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -5.687 17.738 -13.912 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.887 19.151 -12.895 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.683 19.995 -14.359 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.444 18.658 -15.466 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.207 18.302 -12.534 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.377 18.369 -13.838 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.417 16.396 -14.508 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.032 16.847 -12.150 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.309 15.107 -12.013 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -7.839 14.242 -14.299 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.098 13.672 -13.199 1.00 25.00 H new ATOM 662 N GLY B 23 -2.764 18.455 -14.558 1.00 25.00 N ATOM 663 CA GLY B 23 -1.448 18.222 -13.991 1.00 25.00 C ATOM 664 C GLY B 23 -1.518 17.360 -12.747 1.00 25.00 C ATOM 665 O GLY B 23 -2.598 17.032 -12.263 1.00 25.00 O ATOM 0 H GLY B 23 -3.016 17.826 -15.320 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -0.812 17.739 -14.733 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -0.983 19.177 -13.746 1.00 25.00 H new ATOM 669 N PHE B 24 -0.356 16.960 -12.260 1.00 25.00 N ATOM 670 CA PHE B 24 -0.225 16.087 -11.096 1.00 25.00 C ATOM 671 C PHE B 24 1.226 16.229 -10.677 1.00 25.00 C ATOM 672 O PHE B 24 2.008 16.867 -11.385 1.00 25.00 O ATOM 673 CB PHE B 24 -0.512 14.626 -11.468 1.00 25.00 C ATOM 674 CG PHE B 24 0.443 14.070 -12.480 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.235 14.295 -13.850 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.567 13.331 -12.072 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.144 13.807 -14.804 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.485 12.834 -13.020 1.00 25.00 C ATOM 679 CZ PHE B 24 2.273 13.080 -14.394 1.00 25.00 C ATOM 0 H PHE B 24 0.539 17.234 -12.665 1.00 25.00 H new ATOM 0 HA PHE B 24 -0.928 16.357 -10.307 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.471 14.015 -10.567 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.527 14.551 -11.858 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.633 14.849 -14.174 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.729 13.142 -11.021 1.00 25.00 H new ATOM 0 HE1 PHE B 24 0.974 13.991 -15.854 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.346 12.268 -12.697 1.00 25.00 H new ATOM 0 HZ PHE B 24 2.976 12.711 -15.126 1.00 25.00 H new ATOM 689 N PHE B 25 1.607 15.585 -9.587 1.00 25.00 N ATOM 690 CA PHE B 25 3.004 15.532 -9.178 1.00 25.00 C ATOM 691 C PHE B 25 3.284 14.096 -8.760 1.00 25.00 C ATOM 692 O PHE B 25 2.357 13.326 -8.528 1.00 25.00 O ATOM 693 CB PHE B 25 3.278 16.511 -8.029 1.00 25.00 C ATOM 694 CG PHE B 25 2.447 16.254 -6.797 1.00 25.00 C ATOM 695 CD1 PHE B 25 2.897 15.365 -5.803 1.00 25.00 C ATOM 696 CD2 PHE B 25 1.220 16.921 -6.613 1.00 25.00 C ATOM 697 CE1 PHE B 25 2.125 15.130 -4.636 1.00 25.00 C ATOM 698 CE2 PHE B 25 0.440 16.696 -5.451 1.00 25.00 C ATOM 699 CZ PHE B 25 0.895 15.800 -4.462 1.00 25.00 C ATOM 0 H PHE B 25 0.967 15.089 -8.966 1.00 25.00 H new ATOM 0 HA PHE B 25 3.661 15.828 -9.996 1.00 25.00 H new ATOM 0 HB2 PHE B 25 4.333 16.456 -7.762 1.00 25.00 H new ATOM 0 HB3 PHE B 25 3.090 17.527 -8.377 1.00 25.00 H new ATOM 0 HD1 PHE B 25 3.841 14.856 -5.930 1.00 25.00 H new ATOM 0 HD2 PHE B 25 0.870 17.612 -7.366 1.00 25.00 H new ATOM 0 HE1 PHE B 25 2.477 14.441 -3.883 1.00 25.00 H new ATOM 0 HE2 PHE B 25 -0.501 17.210 -5.323 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.304 15.627 -3.574 1.00 25.00 H new ATOM 709 N TYR B 26 4.553 13.736 -8.675 1.00 25.00 N ATOM 710 CA TYR B 26 4.947 12.394 -8.272 1.00 25.00 C ATOM 711 C TYR B 26 6.161 12.546 -7.374 1.00 25.00 C ATOM 712 O TYR B 26 6.998 13.407 -7.618 1.00 25.00 O ATOM 713 CB TYR B 26 5.287 11.541 -9.492 1.00 25.00 C ATOM 714 CG TYR B 26 5.645 10.125 -9.117 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.638 9.174 -8.867 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.991 9.730 -8.982 1.00 25.00 C ATOM 717 CE1 TYR B 26 4.966 7.849 -8.489 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.325 8.402 -8.610 1.00 25.00 C ATOM 719 CZ TYR B 26 6.307 7.473 -8.369 1.00 25.00 C ATOM 720 OH TYR B 26 6.626 6.188 -8.014 1.00 25.00 O ATOM 0 H TYR B 26 5.334 14.358 -8.881 1.00 25.00 H new ATOM 0 HA TYR B 26 4.133 11.892 -7.748 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.437 11.530 -10.174 1.00 25.00 H new ATOM 0 HB3 TYR B 26 6.120 11.994 -10.029 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.601 9.459 -8.965 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.778 10.447 -9.164 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.183 7.132 -8.294 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.360 8.110 -8.513 1.00 25.00 H new ATOM 0 HH TYR B 26 7.600 6.091 -7.976 1.00 25.00 H new ATOM 730 N THR B 27 6.238 11.742 -6.324 1.00 25.00 N ATOM 731 CA THR B 27 7.319 11.862 -5.345 1.00 25.00 C ATOM 732 C THR B 27 8.138 10.574 -5.209 1.00 25.00 C ATOM 733 O THR B 27 7.783 9.673 -4.431 1.00 25.00 O ATOM 734 CB THR B 27 6.759 12.268 -3.967 1.00 25.00 C ATOM 735 OG1 THR B 27 5.644 11.434 -3.627 1.00 25.00 O ATOM 736 CG2 THR B 27 6.260 13.699 -3.997 1.00 25.00 C ATOM 0 H THR B 27 5.568 10.999 -6.124 1.00 25.00 H new ATOM 0 HA THR B 27 7.988 12.639 -5.715 1.00 25.00 H new ATOM 0 HB THR B 27 7.562 12.161 -3.237 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.295 11.697 -2.750 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.868 13.968 -3.016 1.00 25.00 H new ATOM 0 HG22 THR B 27 7.083 14.366 -4.255 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.470 13.793 -4.742 1.00 25.00 H new ATOM 744 N PRO B 28 9.255 10.467 -5.953 1.00 25.00 N ATOM 745 CA PRO B 28 10.105 9.288 -5.749 1.00 25.00 C ATOM 746 C PRO B 28 10.794 9.377 -4.391 1.00 25.00 C ATOM 747 O PRO B 28 10.945 10.467 -3.841 1.00 25.00 O ATOM 748 CB PRO B 28 11.104 9.382 -6.903 1.00 25.00 C ATOM 749 CG PRO B 28 11.235 10.836 -7.151 1.00 25.00 C ATOM 750 CD PRO B 28 9.849 11.395 -6.937 1.00 25.00 C ATOM 0 HA PRO B 28 9.566 8.341 -5.746 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.062 8.935 -6.638 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.742 8.858 -7.787 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.953 11.290 -6.468 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.588 11.034 -8.163 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.882 12.416 -6.558 1.00 25.00 H new ATOM 0 HD3 PRO B 28 9.277 11.418 -7.865 1.00 25.00 H new ATOM 758 N LYS B 29 11.163 8.239 -3.823 1.00 25.00 N ATOM 759 CA LYS B 29 11.756 8.205 -2.482 1.00 25.00 C ATOM 760 C LYS B 29 12.955 7.277 -2.478 1.00 25.00 C ATOM 761 O LYS B 29 12.823 6.071 -2.647 1.00 25.00 O ATOM 762 CB LYS B 29 10.707 7.749 -1.457 1.00 25.00 C ATOM 763 CG LYS B 29 9.526 8.715 -1.367 1.00 25.00 C ATOM 764 CD LYS B 29 8.454 8.256 -0.401 1.00 25.00 C ATOM 765 CE LYS B 29 7.288 9.255 -0.396 1.00 25.00 C ATOM 766 NZ LYS B 29 6.594 9.324 -1.736 1.00 25.00 N ATOM 0 H LYS B 29 11.065 7.324 -4.264 1.00 25.00 H new ATOM 0 HA LYS B 29 12.091 9.205 -2.206 1.00 25.00 H new ATOM 0 HB2 LYS B 29 10.343 6.758 -1.729 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.175 7.659 -0.477 1.00 25.00 H new ATOM 0 HG2 LYS B 29 9.889 9.695 -1.058 1.00 25.00 H new ATOM 0 HG3 LYS B 29 9.087 8.835 -2.357 1.00 25.00 H new ATOM 0 HD2 LYS B 29 8.095 7.267 -0.686 1.00 25.00 H new ATOM 0 HD3 LYS B 29 8.871 8.166 0.602 1.00 25.00 H new ATOM 0 HE2 LYS B 29 6.568 8.968 0.370 1.00 25.00 H new ATOM 0 HE3 LYS B 29 7.660 10.244 -0.129 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 6.726 10.270 -2.147 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 7.000 8.610 -2.374 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 5.578 9.139 -1.611 1.00 25.00 H new ATOM 780 N THR B 30 14.133 7.871 -2.336 1.00 25.00 N ATOM 781 CA THR B 30 15.414 7.161 -2.344 1.00 25.00 C ATOM 782 C THR B 30 15.992 7.039 -0.945 1.00 25.00 C ATOM 783 O THR B 30 16.062 7.949 -0.151 1.00 25.00 O ATOM 784 CB THR B 30 16.398 7.903 -3.263 1.00 25.00 C ATOM 785 OG1 THR B 30 16.338 9.289 -2.934 1.00 25.00 O ATOM 786 CG2 THR B 30 15.991 7.767 -4.741 1.00 25.00 C ATOM 787 OXT THR B 30 16.435 5.861 -0.665 1.00 25.00 O ATOM 0 H THR B 30 14.231 8.878 -2.209 1.00 25.00 H new ATOM 0 HA THR B 30 15.248 6.151 -2.719 1.00 25.00 H new ATOM 0 HB THR B 30 17.393 7.481 -3.124 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.959 9.788 -3.505 1.00 25.00 H new ATOM 0 HG21 THR B 30 16.706 8.302 -5.366 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.982 6.713 -5.020 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.996 8.189 -4.885 1.00 25.00 H new TER 796 THR B 30