USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 548 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -109:sc= 0.441 USER MOD Single : A 6 GLN : amide:sc= -2.2! C(o=-2.2!,f=-3.9!) USER MOD Single : A 8 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 112:sc= -0.479 USER MOD Single : A 23 THR OG1 : rot 156:sc= 0.195 USER MOD Single : A 28 SER OG : rot 51:sc= 0.294 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 156:sc= -0.0811 (180deg=-0.513) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 65 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 66 TYR OH : rot -161:sc= 0.247 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.108 1.675 -13.527 1.00 0.00 N ATOM 2 CA MET A 1 14.736 2.487 -12.374 1.00 0.00 C ATOM 3 C MET A 1 14.403 1.606 -11.174 1.00 0.00 C ATOM 4 O MET A 1 15.070 1.669 -10.141 1.00 0.00 O ATOM 5 CB MET A 1 13.539 3.377 -12.715 1.00 0.00 C ATOM 6 CG MET A 1 13.311 4.499 -11.715 1.00 0.00 C ATOM 7 SD MET A 1 12.382 5.876 -12.415 1.00 0.00 S ATOM 8 CE MET A 1 12.492 7.070 -11.084 1.00 0.00 C ATOM 0 H1 MET A 1 15.330 2.296 -14.331 1.00 0.00 H new ATOM 0 H2 MET A 1 15.942 1.100 -13.292 1.00 0.00 H new ATOM 0 H3 MET A 1 14.317 1.049 -13.781 1.00 0.00 H new ATOM 0 HA MET A 1 15.587 3.118 -12.115 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.688 3.808 -13.705 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.642 2.760 -12.768 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.775 4.107 -10.851 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.274 4.861 -11.356 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.963 7.980 -11.367 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.041 6.653 -10.183 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.539 7.304 -10.891 1.00 0.00 H new ATOM 18 N VAL A 2 13.367 0.785 -11.317 1.00 0.00 N ATOM 19 CA VAL A 2 12.947 -0.109 -10.244 1.00 0.00 C ATOM 20 C VAL A 2 13.429 -1.533 -10.496 1.00 0.00 C ATOM 21 O VAL A 2 13.483 -1.988 -11.639 1.00 0.00 O ATOM 22 CB VAL A 2 11.415 -0.117 -10.089 1.00 0.00 C ATOM 23 CG1 VAL A 2 10.749 -0.582 -11.375 1.00 0.00 C ATOM 24 CG2 VAL A 2 11.004 -0.997 -8.918 1.00 0.00 C ATOM 0 H VAL A 2 12.804 0.721 -12.165 1.00 0.00 H new ATOM 0 HA VAL A 2 13.396 0.266 -9.324 1.00 0.00 H new ATOM 0 HB VAL A 2 11.083 0.901 -9.885 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.667 -0.581 -11.245 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.018 0.092 -12.188 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.085 -1.591 -11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.918 -0.992 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.348 -2.017 -9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.451 -0.614 -8.001 1.00 0.00 H new ATOM 34 N SER A 3 13.778 -2.233 -9.421 1.00 0.00 N ATOM 35 CA SER A 3 14.259 -3.605 -9.525 1.00 0.00 C ATOM 36 C SER A 3 13.250 -4.480 -10.264 1.00 0.00 C ATOM 37 O SER A 3 12.072 -4.138 -10.364 1.00 0.00 O ATOM 38 CB SER A 3 14.526 -4.181 -8.133 1.00 0.00 C ATOM 39 OG SER A 3 14.829 -5.564 -8.203 1.00 0.00 O ATOM 0 H SER A 3 13.736 -1.872 -8.468 1.00 0.00 H new ATOM 0 HA SER A 3 15.190 -3.595 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.355 -3.647 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.652 -4.028 -7.499 1.00 0.00 H new ATOM 0 HG SER A 3 14.086 -6.081 -7.828 1.00 0.00 H new ATOM 45 N ARG A 4 13.722 -5.610 -10.780 1.00 0.00 N ATOM 46 CA ARG A 4 12.863 -6.533 -11.511 1.00 0.00 C ATOM 47 C ARG A 4 12.034 -7.381 -10.551 1.00 0.00 C ATOM 48 O ARG A 4 10.814 -7.477 -10.686 1.00 0.00 O ATOM 49 CB ARG A 4 13.703 -7.440 -12.413 1.00 0.00 C ATOM 50 CG ARG A 4 12.947 -7.966 -13.622 1.00 0.00 C ATOM 51 CD ARG A 4 13.471 -9.325 -14.059 1.00 0.00 C ATOM 52 NE ARG A 4 13.694 -9.388 -15.501 1.00 0.00 N ATOM 53 CZ ARG A 4 14.660 -8.724 -16.125 1.00 0.00 C ATOM 54 NH1 ARG A 4 15.488 -7.950 -15.437 1.00 0.00 N ATOM 55 NH2 ARG A 4 14.798 -8.833 -17.440 1.00 0.00 N ATOM 0 H ARG A 4 14.695 -5.908 -10.705 1.00 0.00 H new ATOM 0 HA ARG A 4 12.184 -5.945 -12.129 1.00 0.00 H new ATOM 0 HB2 ARG A 4 14.579 -6.888 -12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 4 14.067 -8.284 -11.827 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.886 -8.043 -13.384 1.00 0.00 H new ATOM 0 HG3 ARG A 4 13.038 -7.258 -14.446 1.00 0.00 H new ATOM 0 HD2 ARG A 4 14.405 -9.538 -13.538 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.760 -10.098 -13.768 1.00 0.00 H new ATOM 0 HE ARG A 4 13.074 -9.974 -16.059 1.00 0.00 H new ATOM 0 HH11 ARG A 4 15.384 -7.864 -14.426 1.00 0.00 H new ATOM 0 HH12 ARG A 4 16.229 -7.441 -15.919 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.162 -9.427 -17.972 1.00 0.00 H new ATOM 0 HH22 ARG A 4 15.540 -8.323 -17.919 1.00 0.00 H new ATOM 69 N ASP A 5 12.704 -7.994 -9.581 1.00 0.00 N ATOM 70 CA ASP A 5 12.030 -8.833 -8.598 1.00 0.00 C ATOM 71 C ASP A 5 11.946 -8.127 -7.248 1.00 0.00 C ATOM 72 O ASP A 5 12.536 -7.064 -7.055 1.00 0.00 O ATOM 73 CB ASP A 5 12.764 -10.166 -8.445 1.00 0.00 C ATOM 74 CG ASP A 5 11.840 -11.289 -8.016 1.00 0.00 C ATOM 75 OD1 ASP A 5 11.001 -11.714 -8.838 1.00 0.00 O ATOM 76 OD2 ASP A 5 11.957 -11.745 -6.860 1.00 0.00 O ATOM 0 H ASP A 5 13.714 -7.925 -9.455 1.00 0.00 H new ATOM 0 HA ASP A 5 11.017 -9.023 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.235 -10.429 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.562 -10.056 -7.711 1.00 0.00 H new ATOM 81 N GLN A 6 11.207 -8.725 -6.318 1.00 0.00 N ATOM 82 CA GLN A 6 11.044 -8.152 -4.988 1.00 0.00 C ATOM 83 C GLN A 6 11.069 -9.240 -3.919 1.00 0.00 C ATOM 84 O GLN A 6 11.039 -10.430 -4.231 1.00 0.00 O ATOM 85 CB GLN A 6 9.733 -7.368 -4.904 1.00 0.00 C ATOM 86 CG GLN A 6 8.544 -8.107 -5.497 1.00 0.00 C ATOM 87 CD GLN A 6 8.389 -7.864 -6.985 1.00 0.00 C ATOM 88 OE1 GLN A 6 9.191 -7.157 -7.597 1.00 0.00 O ATOM 89 NE2 GLN A 6 7.354 -8.449 -7.576 1.00 0.00 N ATOM 0 H GLN A 6 10.712 -9.605 -6.462 1.00 0.00 H new ATOM 0 HA GLN A 6 11.877 -7.473 -4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.523 -7.138 -3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.854 -6.417 -5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.659 -9.176 -5.317 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.634 -7.794 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.715 -9.026 -7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.198 -8.321 -8.576 1.00 0.00 H new ATOM 98 N ALA A 7 11.125 -8.824 -2.659 1.00 0.00 N ATOM 99 CA ALA A 7 11.152 -9.763 -1.544 1.00 0.00 C ATOM 100 C ALA A 7 9.746 -10.234 -1.189 1.00 0.00 C ATOM 101 O ALA A 7 9.531 -11.408 -0.885 1.00 0.00 O ATOM 102 CB ALA A 7 11.819 -9.127 -0.334 1.00 0.00 C ATOM 0 H ALA A 7 11.153 -7.842 -2.384 1.00 0.00 H new ATOM 0 HA ALA A 7 11.732 -10.634 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.832 -9.840 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.841 -8.847 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.262 -8.238 -0.037 1.00 0.00 H new ATOM 108 N HIS A 8 8.790 -9.311 -1.228 1.00 0.00 N ATOM 109 CA HIS A 8 7.403 -9.633 -0.910 1.00 0.00 C ATOM 110 C HIS A 8 6.548 -9.660 -2.174 1.00 0.00 C ATOM 111 O HIS A 8 5.887 -8.676 -2.510 1.00 0.00 O ATOM 112 CB HIS A 8 6.836 -8.616 0.081 1.00 0.00 C ATOM 113 CG HIS A 8 7.736 -8.354 1.250 1.00 0.00 C ATOM 114 ND1 HIS A 8 7.765 -7.150 1.922 1.00 0.00 N ATOM 115 CD2 HIS A 8 8.641 -9.149 1.866 1.00 0.00 C ATOM 116 CE1 HIS A 8 8.650 -7.215 2.900 1.00 0.00 C ATOM 117 NE2 HIS A 8 9.196 -8.418 2.888 1.00 0.00 N ATOM 0 H HIS A 8 8.950 -8.335 -1.476 1.00 0.00 H new ATOM 0 HA HIS A 8 7.381 -10.624 -0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.649 -7.677 -0.441 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.874 -8.975 0.447 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.882 -10.168 1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.887 -6.420 3.592 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.913 -8.750 3.533 1.00 0.00 H new ATOM 125 N LEU A 9 6.566 -10.791 -2.870 1.00 0.00 N ATOM 126 CA LEU A 9 5.793 -10.946 -4.097 1.00 0.00 C ATOM 127 C LEU A 9 4.312 -10.684 -3.845 1.00 0.00 C ATOM 128 O LEU A 9 3.651 -9.998 -4.623 1.00 0.00 O ATOM 129 CB LEU A 9 5.984 -12.352 -4.669 1.00 0.00 C ATOM 130 CG LEU A 9 7.204 -12.551 -5.569 1.00 0.00 C ATOM 131 CD1 LEU A 9 7.032 -11.794 -6.877 1.00 0.00 C ATOM 132 CD2 LEU A 9 8.471 -12.104 -4.855 1.00 0.00 C ATOM 0 H LEU A 9 7.107 -11.614 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 9 6.154 -10.214 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.052 -13.054 -3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.092 -12.616 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 9 7.294 -13.613 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.910 -11.948 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.146 -12.161 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.916 -10.730 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.329 -12.253 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.390 -11.048 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.602 -12.691 -3.946 1.00 0.00 H new ATOM 144 N GLY A 10 3.797 -11.234 -2.749 1.00 0.00 N ATOM 145 CA GLY A 10 2.398 -11.046 -2.412 1.00 0.00 C ATOM 146 C GLY A 10 2.193 -9.968 -1.366 1.00 0.00 C ATOM 147 O GLY A 10 3.089 -9.175 -1.077 1.00 0.00 O ATOM 0 H GLY A 10 4.324 -11.806 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.843 -10.784 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.986 -11.986 -2.046 1.00 0.00 H new ATOM 151 N PRO A 11 0.987 -9.928 -0.781 1.00 0.00 N ATOM 152 CA PRO A 11 0.638 -8.943 0.247 1.00 0.00 C ATOM 153 C PRO A 11 1.376 -9.187 1.559 1.00 0.00 C ATOM 154 O PRO A 11 2.097 -10.175 1.703 1.00 0.00 O ATOM 155 CB PRO A 11 -0.868 -9.144 0.434 1.00 0.00 C ATOM 156 CG PRO A 11 -1.116 -10.553 0.020 1.00 0.00 C ATOM 157 CD PRO A 11 -0.129 -10.843 -1.076 1.00 0.00 C ATOM 0 HA PRO A 11 0.913 -7.931 -0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.164 -8.978 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.440 -8.445 -0.177 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.979 -11.236 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.139 -10.682 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.191 -11.885 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.555 -10.653 -2.061 1.00 0.00 H new ATOM 165 N LYS A 12 1.191 -8.282 2.514 1.00 0.00 N ATOM 166 CA LYS A 12 1.837 -8.400 3.816 1.00 0.00 C ATOM 167 C LYS A 12 0.879 -8.987 4.847 1.00 0.00 C ATOM 168 O LYS A 12 -0.336 -8.991 4.649 1.00 0.00 O ATOM 169 CB LYS A 12 2.334 -7.032 4.287 1.00 0.00 C ATOM 170 CG LYS A 12 3.832 -6.841 4.125 1.00 0.00 C ATOM 171 CD LYS A 12 4.258 -6.969 2.672 1.00 0.00 C ATOM 172 CE LYS A 12 3.601 -5.907 1.804 1.00 0.00 C ATOM 173 NZ LYS A 12 4.033 -6.008 0.382 1.00 0.00 N ATOM 0 H LYS A 12 0.599 -7.458 2.411 1.00 0.00 H new ATOM 0 HA LYS A 12 2.688 -9.073 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.814 -6.254 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.071 -6.901 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.117 -5.859 4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.361 -7.580 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.342 -6.880 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.994 -7.959 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.517 -6.009 1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.849 -4.918 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.563 -5.267 -0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.064 -5.885 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.774 -6.942 0.006 1.00 0.00 H new ATOM 187 N TYR A 13 1.434 -9.481 5.949 1.00 0.00 N ATOM 188 CA TYR A 13 0.628 -10.072 7.011 1.00 0.00 C ATOM 189 C TYR A 13 0.739 -9.256 8.296 1.00 0.00 C ATOM 190 O TYR A 13 1.810 -8.752 8.634 1.00 0.00 O ATOM 191 CB TYR A 13 1.066 -11.514 7.270 1.00 0.00 C ATOM 192 CG TYR A 13 0.696 -12.469 6.157 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.241 -12.329 4.886 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.198 -13.509 6.376 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.905 -13.198 3.866 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.538 -14.383 5.362 1.00 0.00 C ATOM 197 CZ TYR A 13 0.016 -14.224 4.109 1.00 0.00 C ATOM 198 OH TYR A 13 -0.322 -15.092 3.096 1.00 0.00 O ATOM 0 H TYR A 13 2.438 -9.484 6.130 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.413 -10.068 6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.146 -11.537 7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.615 -11.860 8.200 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.939 -11.528 4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.635 -13.636 7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.336 -13.075 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.234 -15.187 5.549 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.958 -15.757 3.434 1.00 0.00 H new ATOM 208 N VAL A 14 -0.376 -9.132 9.008 1.00 0.00 N ATOM 209 CA VAL A 14 -0.406 -8.380 10.257 1.00 0.00 C ATOM 210 C VAL A 14 -1.257 -9.089 11.305 1.00 0.00 C ATOM 211 O VAL A 14 -2.246 -9.743 10.978 1.00 0.00 O ATOM 212 CB VAL A 14 -0.955 -6.957 10.042 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.475 -6.975 9.982 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.467 -6.027 11.143 1.00 0.00 C ATOM 0 H VAL A 14 -1.271 -9.543 8.741 1.00 0.00 H new ATOM 0 HA VAL A 14 0.622 -8.315 10.612 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.582 -6.582 9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.845 -5.961 9.830 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.799 -7.608 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.871 -7.369 10.918 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.864 -5.026 10.976 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.809 -6.397 12.110 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.622 -5.992 11.133 1.00 0.00 H new ATOM 224 N GLY A 15 -0.864 -8.954 12.568 1.00 0.00 N ATOM 225 CA GLY A 15 -1.602 -9.586 13.646 1.00 0.00 C ATOM 226 C GLY A 15 -0.725 -9.902 14.842 1.00 0.00 C ATOM 227 O GLY A 15 -0.597 -11.062 15.237 1.00 0.00 O ATOM 0 H GLY A 15 -0.048 -8.418 12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.415 -8.931 13.959 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.057 -10.506 13.280 1.00 0.00 H new ATOM 231 N LEU A 16 -0.119 -8.870 15.418 1.00 0.00 N ATOM 232 CA LEU A 16 0.753 -9.044 16.575 1.00 0.00 C ATOM 233 C LEU A 16 0.408 -8.041 17.671 1.00 0.00 C ATOM 234 O LEU A 16 1.132 -7.069 17.887 1.00 0.00 O ATOM 235 CB LEU A 16 2.217 -8.884 16.164 1.00 0.00 C ATOM 236 CG LEU A 16 2.903 -10.138 15.620 1.00 0.00 C ATOM 237 CD1 LEU A 16 2.885 -11.249 16.659 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.232 -10.598 14.334 1.00 0.00 C ATOM 0 H LEU A 16 -0.215 -7.904 15.103 1.00 0.00 H new ATOM 0 HA LEU A 16 0.600 -10.050 16.966 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.277 -8.103 15.406 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.780 -8.533 17.029 1.00 0.00 H new ATOM 0 HG LEU A 16 3.941 -9.893 15.397 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.377 -12.133 16.255 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.411 -10.918 17.554 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.853 -11.492 16.913 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.733 -11.491 13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.184 -10.825 14.531 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.297 -9.807 13.587 1.00 0.00 H new ATOM 250 N TRP A 17 -0.700 -8.285 18.362 1.00 0.00 N ATOM 251 CA TRP A 17 -1.139 -7.403 19.438 1.00 0.00 C ATOM 252 C TRP A 17 0.021 -7.055 20.364 1.00 0.00 C ATOM 253 O TRP A 17 1.052 -7.728 20.362 1.00 0.00 O ATOM 254 CB TRP A 17 -2.266 -8.062 20.236 1.00 0.00 C ATOM 255 CG TRP A 17 -3.215 -7.076 20.848 1.00 0.00 C ATOM 256 CD1 TRP A 17 -3.391 -6.826 22.178 1.00 0.00 C ATOM 257 CD2 TRP A 17 -4.118 -6.211 20.151 1.00 0.00 C ATOM 258 NE1 TRP A 17 -4.350 -5.857 22.351 1.00 0.00 N ATOM 259 CE2 TRP A 17 -4.811 -5.463 21.123 1.00 0.00 C ATOM 260 CE3 TRP A 17 -4.408 -5.994 18.801 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -5.775 -4.517 20.786 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -5.365 -5.054 18.468 1.00 0.00 C ATOM 263 CH2 TRP A 17 -6.039 -4.325 19.457 1.00 0.00 C ATOM 0 H TRP A 17 -1.310 -9.085 18.197 1.00 0.00 H new ATOM 0 HA TRP A 17 -1.511 -6.481 18.991 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.822 -8.732 19.580 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -1.832 -8.676 21.025 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -2.856 -7.317 22.977 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -4.667 -5.491 23.249 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.893 -6.551 18.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -6.296 -3.954 21.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -5.597 -4.878 17.428 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.781 -3.597 19.165 1.00 0.00 H new ATOM 274 N ASP A 18 -0.154 -6.002 21.154 1.00 0.00 N ATOM 275 CA ASP A 18 0.878 -5.566 22.087 1.00 0.00 C ATOM 276 C ASP A 18 1.402 -6.741 22.906 1.00 0.00 C ATOM 277 O ASP A 18 0.755 -7.188 23.854 1.00 0.00 O ATOM 278 CB ASP A 18 0.330 -4.483 23.018 1.00 0.00 C ATOM 279 CG ASP A 18 -1.078 -4.785 23.491 1.00 0.00 C ATOM 280 OD1 ASP A 18 -1.223 -5.506 24.500 1.00 0.00 O ATOM 281 OD2 ASP A 18 -2.035 -4.299 22.853 1.00 0.00 O ATOM 0 H ASP A 18 -1.001 -5.434 21.167 1.00 0.00 H new ATOM 0 HA ASP A 18 1.704 -5.153 21.509 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.987 -4.384 23.882 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.338 -3.524 22.500 1.00 0.00 H new ATOM 286 N PHE A 19 2.576 -7.238 22.534 1.00 0.00 N ATOM 287 CA PHE A 19 3.186 -8.363 23.234 1.00 0.00 C ATOM 288 C PHE A 19 4.709 -8.271 23.188 1.00 0.00 C ATOM 289 O PHE A 19 5.311 -8.266 22.114 1.00 0.00 O ATOM 290 CB PHE A 19 2.726 -9.685 22.616 1.00 0.00 C ATOM 291 CG PHE A 19 2.726 -10.832 23.586 1.00 0.00 C ATOM 292 CD1 PHE A 19 3.916 -11.415 23.990 1.00 0.00 C ATOM 293 CD2 PHE A 19 1.536 -11.327 24.094 1.00 0.00 C ATOM 294 CE1 PHE A 19 3.919 -12.471 24.882 1.00 0.00 C ATOM 295 CE2 PHE A 19 1.532 -12.383 24.987 1.00 0.00 C ATOM 296 CZ PHE A 19 2.726 -12.954 25.382 1.00 0.00 C ATOM 0 H PHE A 19 3.125 -6.880 21.752 1.00 0.00 H new ATOM 0 HA PHE A 19 2.868 -8.326 24.276 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.720 -9.559 22.215 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.376 -9.930 21.776 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.852 -11.040 23.604 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.600 -10.883 23.789 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.854 -12.918 25.188 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.597 -12.760 25.375 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.726 -13.777 26.081 1.00 0.00 H new ATOM 306 N LYS A 20 5.326 -8.198 24.363 1.00 0.00 N ATOM 307 CA LYS A 20 6.778 -8.106 24.460 1.00 0.00 C ATOM 308 C LYS A 20 7.345 -9.274 25.260 1.00 0.00 C ATOM 309 O LYS A 20 7.306 -9.273 26.491 1.00 0.00 O ATOM 310 CB LYS A 20 7.184 -6.783 25.112 1.00 0.00 C ATOM 311 CG LYS A 20 6.512 -5.569 24.494 1.00 0.00 C ATOM 312 CD LYS A 20 6.914 -5.389 23.039 1.00 0.00 C ATOM 313 CE LYS A 20 6.673 -3.964 22.566 1.00 0.00 C ATOM 314 NZ LYS A 20 5.221 -3.666 22.423 1.00 0.00 N ATOM 0 H LYS A 20 4.843 -8.201 25.261 1.00 0.00 H new ATOM 0 HA LYS A 20 7.187 -8.147 23.451 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.941 -6.821 26.174 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.265 -6.667 25.037 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.430 -5.677 24.563 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.780 -4.676 25.059 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.968 -5.640 22.918 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.348 -6.081 22.416 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.119 -3.266 23.274 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.172 -3.810 21.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.098 -2.685 22.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.800 -4.316 21.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.749 -3.789 23.342 1.00 0.00 H new ATOM 328 N SER A 21 7.872 -10.269 24.554 1.00 0.00 N ATOM 329 CA SER A 21 8.444 -11.445 25.200 1.00 0.00 C ATOM 330 C SER A 21 9.910 -11.211 25.554 1.00 0.00 C ATOM 331 O SER A 21 10.433 -10.110 25.381 1.00 0.00 O ATOM 332 CB SER A 21 8.318 -12.666 24.287 1.00 0.00 C ATOM 333 OG SER A 21 8.949 -12.438 23.039 1.00 0.00 O ATOM 0 H SER A 21 7.915 -10.285 23.535 1.00 0.00 H new ATOM 0 HA SER A 21 7.890 -11.629 26.121 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.766 -13.534 24.771 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.265 -12.898 24.128 1.00 0.00 H new ATOM 0 HG SER A 21 9.737 -13.015 22.961 1.00 0.00 H new ATOM 339 N ARG A 22 10.566 -12.254 26.051 1.00 0.00 N ATOM 340 CA ARG A 22 11.970 -12.162 26.432 1.00 0.00 C ATOM 341 C ARG A 22 12.789 -13.260 25.757 1.00 0.00 C ATOM 342 O ARG A 22 13.886 -13.596 26.205 1.00 0.00 O ATOM 343 CB ARG A 22 12.117 -12.263 27.951 1.00 0.00 C ATOM 344 CG ARG A 22 11.881 -13.663 28.494 1.00 0.00 C ATOM 345 CD ARG A 22 10.810 -13.668 29.574 1.00 0.00 C ATOM 346 NE ARG A 22 10.271 -15.006 29.804 1.00 0.00 N ATOM 347 CZ ARG A 22 10.874 -15.922 30.553 1.00 0.00 C ATOM 348 NH1 ARG A 22 12.029 -15.646 31.142 1.00 0.00 N ATOM 349 NH2 ARG A 22 10.321 -17.117 30.715 1.00 0.00 N ATOM 0 H ARG A 22 10.148 -13.172 26.199 1.00 0.00 H new ATOM 0 HA ARG A 22 12.347 -11.194 26.101 1.00 0.00 H new ATOM 0 HB2 ARG A 22 13.118 -11.937 28.233 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.414 -11.576 28.422 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.582 -14.324 27.681 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.812 -14.058 28.901 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.230 -13.282 30.503 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.002 -12.996 29.286 1.00 0.00 H new ATOM 0 HE ARG A 22 9.383 -15.250 29.365 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.457 -14.728 31.021 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.490 -16.352 31.717 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.432 -17.333 30.264 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.785 -17.820 31.290 1.00 0.00 H new ATOM 363 N THR A 23 12.248 -13.816 24.678 1.00 0.00 N ATOM 364 CA THR A 23 12.926 -14.876 23.943 1.00 0.00 C ATOM 365 C THR A 23 12.629 -14.787 22.450 1.00 0.00 C ATOM 366 O THR A 23 11.733 -14.055 22.028 1.00 0.00 O ATOM 367 CB THR A 23 12.512 -16.268 24.455 1.00 0.00 C ATOM 368 OG1 THR A 23 11.226 -16.197 25.081 1.00 0.00 O ATOM 369 CG2 THR A 23 13.535 -16.807 25.443 1.00 0.00 C ATOM 0 H THR A 23 11.342 -13.550 24.294 1.00 0.00 H new ATOM 0 HA THR A 23 13.995 -14.740 24.107 1.00 0.00 H new ATOM 0 HB THR A 23 12.463 -16.945 23.602 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.803 -17.081 25.060 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.221 -17.791 25.791 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.506 -16.887 24.954 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.612 -16.129 26.293 1.00 0.00 H new ATOM 377 N ASP A 24 13.385 -15.536 21.655 1.00 0.00 N ATOM 378 CA ASP A 24 13.201 -15.543 20.209 1.00 0.00 C ATOM 379 C ASP A 24 11.902 -16.246 19.829 1.00 0.00 C ATOM 380 O ASP A 24 11.292 -15.934 18.807 1.00 0.00 O ATOM 381 CB ASP A 24 14.385 -16.230 19.526 1.00 0.00 C ATOM 382 CG ASP A 24 15.569 -15.300 19.347 1.00 0.00 C ATOM 383 OD1 ASP A 24 15.368 -14.172 18.850 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.696 -15.700 19.704 1.00 0.00 O ATOM 0 H ASP A 24 14.131 -16.146 21.988 1.00 0.00 H new ATOM 0 HA ASP A 24 13.146 -14.508 19.870 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.691 -17.093 20.117 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.071 -16.606 18.552 1.00 0.00 H new ATOM 389 N GLU A 25 11.485 -17.197 20.660 1.00 0.00 N ATOM 390 CA GLU A 25 10.258 -17.945 20.409 1.00 0.00 C ATOM 391 C GLU A 25 9.084 -17.001 20.168 1.00 0.00 C ATOM 392 O GLU A 25 8.144 -17.335 19.449 1.00 0.00 O ATOM 393 CB GLU A 25 9.949 -18.870 21.589 1.00 0.00 C ATOM 394 CG GLU A 25 9.359 -18.149 22.789 1.00 0.00 C ATOM 395 CD GLU A 25 9.173 -19.063 23.985 1.00 0.00 C ATOM 396 OE1 GLU A 25 8.123 -19.736 24.059 1.00 0.00 O ATOM 397 OE2 GLU A 25 10.077 -19.106 24.845 1.00 0.00 O ATOM 0 H GLU A 25 11.978 -17.467 21.511 1.00 0.00 H new ATOM 0 HA GLU A 25 10.407 -18.547 19.513 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.253 -19.643 21.262 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.866 -19.375 21.894 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.011 -17.321 23.067 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.397 -17.718 22.512 1.00 0.00 H new ATOM 404 N GLU A 26 9.148 -15.820 20.776 1.00 0.00 N ATOM 405 CA GLU A 26 8.089 -14.828 20.629 1.00 0.00 C ATOM 406 C GLU A 26 8.653 -13.501 20.128 1.00 0.00 C ATOM 407 O GLU A 26 9.843 -13.222 20.281 1.00 0.00 O ATOM 408 CB GLU A 26 7.368 -14.617 21.962 1.00 0.00 C ATOM 409 CG GLU A 26 6.191 -15.555 22.171 1.00 0.00 C ATOM 410 CD GLU A 26 5.025 -14.881 22.868 1.00 0.00 C ATOM 411 OE1 GLU A 26 4.319 -14.088 22.210 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.818 -15.146 24.070 1.00 0.00 O ATOM 0 H GLU A 26 9.921 -15.527 21.374 1.00 0.00 H new ATOM 0 HA GLU A 26 7.376 -15.201 19.894 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.080 -14.753 22.776 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.015 -13.587 22.016 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.860 -15.938 21.205 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.515 -16.413 22.760 1.00 0.00 H new ATOM 419 N LEU A 27 7.791 -12.687 19.529 1.00 0.00 N ATOM 420 CA LEU A 27 8.202 -11.389 19.004 1.00 0.00 C ATOM 421 C LEU A 27 7.952 -10.285 20.027 1.00 0.00 C ATOM 422 O LEU A 27 7.104 -10.422 20.908 1.00 0.00 O ATOM 423 CB LEU A 27 7.450 -11.080 17.709 1.00 0.00 C ATOM 424 CG LEU A 27 7.732 -12.012 16.530 1.00 0.00 C ATOM 425 CD1 LEU A 27 7.064 -11.491 15.266 1.00 0.00 C ATOM 426 CD2 LEU A 27 9.231 -12.165 16.318 1.00 0.00 C ATOM 0 H LEU A 27 6.803 -12.902 19.395 1.00 0.00 H new ATOM 0 HA LEU A 27 9.271 -11.430 18.795 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.381 -11.105 17.919 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.691 -10.061 17.407 1.00 0.00 H new ATOM 0 HG LEU A 27 7.315 -12.993 16.759 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.276 -12.167 14.438 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.987 -11.433 15.421 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.451 -10.499 15.033 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.413 -12.832 15.475 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.671 -11.189 16.111 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.685 -12.584 17.216 1.00 0.00 H new ATOM 438 N SER A 28 8.696 -9.191 19.901 1.00 0.00 N ATOM 439 CA SER A 28 8.557 -8.063 20.815 1.00 0.00 C ATOM 440 C SER A 28 8.155 -6.799 20.061 1.00 0.00 C ATOM 441 O SER A 28 8.990 -5.940 19.778 1.00 0.00 O ATOM 442 CB SER A 28 9.866 -7.826 21.570 1.00 0.00 C ATOM 443 OG SER A 28 10.959 -7.723 20.674 1.00 0.00 O ATOM 0 H SER A 28 9.401 -9.062 19.175 1.00 0.00 H new ATOM 0 HA SER A 28 7.771 -8.303 21.532 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.789 -6.913 22.161 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.040 -8.644 22.269 1.00 0.00 H new ATOM 0 HG SER A 28 10.744 -7.077 19.969 1.00 0.00 H new ATOM 449 N PHE A 29 6.870 -6.693 19.740 1.00 0.00 N ATOM 450 CA PHE A 29 6.356 -5.535 19.018 1.00 0.00 C ATOM 451 C PHE A 29 4.847 -5.403 19.205 1.00 0.00 C ATOM 452 O PHE A 29 4.181 -6.342 19.641 1.00 0.00 O ATOM 453 CB PHE A 29 6.688 -5.647 17.528 1.00 0.00 C ATOM 454 CG PHE A 29 7.282 -4.394 16.951 1.00 0.00 C ATOM 455 CD1 PHE A 29 8.592 -4.040 17.230 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.530 -3.571 16.128 1.00 0.00 C ATOM 457 CE1 PHE A 29 9.140 -2.887 16.700 1.00 0.00 C ATOM 458 CE2 PHE A 29 7.073 -2.417 15.595 1.00 0.00 C ATOM 459 CZ PHE A 29 8.380 -2.075 15.881 1.00 0.00 C ATOM 0 H PHE A 29 6.166 -7.395 19.968 1.00 0.00 H new ATOM 0 HA PHE A 29 6.835 -4.644 19.424 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.385 -6.472 17.380 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.780 -5.895 16.979 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.192 -4.672 17.869 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.508 -3.834 15.900 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.162 -2.621 16.926 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.476 -1.784 14.956 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.807 -1.174 15.465 1.00 0.00 H new ATOM 469 N ARG A 30 4.316 -4.231 18.873 1.00 0.00 N ATOM 470 CA ARG A 30 2.887 -3.975 19.006 1.00 0.00 C ATOM 471 C ARG A 30 2.157 -4.272 17.699 1.00 0.00 C ATOM 472 O ARG A 30 2.781 -4.423 16.649 1.00 0.00 O ATOM 473 CB ARG A 30 2.644 -2.522 19.419 1.00 0.00 C ATOM 474 CG ARG A 30 2.884 -1.522 18.300 1.00 0.00 C ATOM 475 CD ARG A 30 2.635 -0.096 18.765 1.00 0.00 C ATOM 476 NE ARG A 30 2.873 0.876 17.701 1.00 0.00 N ATOM 477 CZ ARG A 30 2.839 2.191 17.885 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.578 2.689 19.086 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.065 3.011 16.867 1.00 0.00 N ATOM 0 H ARG A 30 4.854 -3.444 18.510 1.00 0.00 H new ATOM 0 HA ARG A 30 2.496 -4.636 19.779 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.618 -2.420 19.772 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.295 -2.278 20.258 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.909 -1.615 17.941 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.230 -1.751 17.459 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.608 -0.004 19.117 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.284 0.128 19.612 1.00 0.00 H new ATOM 0 HE ARG A 30 3.077 0.526 16.765 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.403 2.062 19.871 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.552 3.699 19.225 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.265 2.632 15.941 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.039 4.021 17.010 1.00 0.00 H new ATOM 493 N ALA A 31 0.833 -4.354 17.772 1.00 0.00 N ATOM 494 CA ALA A 31 0.019 -4.632 16.595 1.00 0.00 C ATOM 495 C ALA A 31 0.164 -3.527 15.554 1.00 0.00 C ATOM 496 O ALA A 31 0.713 -2.463 15.837 1.00 0.00 O ATOM 497 CB ALA A 31 -1.441 -4.798 16.991 1.00 0.00 C ATOM 0 H ALA A 31 0.301 -4.232 18.634 1.00 0.00 H new ATOM 0 HA ALA A 31 0.372 -5.563 16.151 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.038 -5.005 16.103 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.536 -5.626 17.693 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.797 -3.881 17.461 1.00 0.00 H new ATOM 503 N GLY A 32 -0.333 -3.787 14.349 1.00 0.00 N ATOM 504 CA GLY A 32 -0.247 -2.804 13.284 1.00 0.00 C ATOM 505 C GLY A 32 0.982 -2.994 12.417 1.00 0.00 C ATOM 506 O GLY A 32 1.000 -2.588 11.255 1.00 0.00 O ATOM 0 H GLY A 32 -0.793 -4.660 14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.140 -2.868 12.662 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.231 -1.804 13.717 1.00 0.00 H new ATOM 510 N ASP A 33 2.013 -3.612 12.983 1.00 0.00 N ATOM 511 CA ASP A 33 3.253 -3.854 12.255 1.00 0.00 C ATOM 512 C ASP A 33 3.089 -5.011 11.273 1.00 0.00 C ATOM 513 O ASP A 33 2.396 -5.987 11.559 1.00 0.00 O ATOM 514 CB ASP A 33 4.392 -4.154 13.230 1.00 0.00 C ATOM 515 CG ASP A 33 5.597 -3.262 13.004 1.00 0.00 C ATOM 516 OD1 ASP A 33 5.417 -2.029 12.923 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.721 -3.797 12.908 1.00 0.00 O ATOM 0 H ASP A 33 2.014 -3.954 13.944 1.00 0.00 H new ATOM 0 HA ASP A 33 3.496 -2.953 11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.035 -4.026 14.252 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.691 -5.197 13.125 1.00 0.00 H new ATOM 522 N VAL A 34 3.731 -4.893 10.115 1.00 0.00 N ATOM 523 CA VAL A 34 3.657 -5.928 9.092 1.00 0.00 C ATOM 524 C VAL A 34 4.788 -6.939 9.249 1.00 0.00 C ATOM 525 O VAL A 34 5.902 -6.585 9.634 1.00 0.00 O ATOM 526 CB VAL A 34 3.718 -5.324 7.676 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.464 -4.513 7.388 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.965 -4.468 7.516 1.00 0.00 C ATOM 0 H VAL A 34 4.308 -4.091 9.862 1.00 0.00 H new ATOM 0 HA VAL A 34 2.700 -6.433 9.223 1.00 0.00 H new ATOM 0 HB VAL A 34 3.769 -6.138 6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.524 -4.094 6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.589 -5.159 7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.379 -3.704 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.992 -4.049 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.947 -3.659 8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.851 -5.082 7.677 1.00 0.00 H new ATOM 538 N PHE A 35 4.493 -8.200 8.949 1.00 0.00 N ATOM 539 CA PHE A 35 5.485 -9.263 9.057 1.00 0.00 C ATOM 540 C PHE A 35 5.459 -10.159 7.823 1.00 0.00 C ATOM 541 O PHE A 35 4.474 -10.190 7.084 1.00 0.00 O ATOM 542 CB PHE A 35 5.232 -10.099 10.314 1.00 0.00 C ATOM 543 CG PHE A 35 5.092 -9.277 11.563 1.00 0.00 C ATOM 544 CD1 PHE A 35 3.852 -8.808 11.964 1.00 0.00 C ATOM 545 CD2 PHE A 35 6.201 -8.973 12.336 1.00 0.00 C ATOM 546 CE1 PHE A 35 3.720 -8.050 13.113 1.00 0.00 C ATOM 547 CE2 PHE A 35 6.076 -8.216 13.486 1.00 0.00 C ATOM 548 CZ PHE A 35 4.834 -7.755 13.875 1.00 0.00 C ATOM 0 H PHE A 35 3.575 -8.510 8.629 1.00 0.00 H new ATOM 0 HA PHE A 35 6.470 -8.801 9.128 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.326 -10.688 10.173 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.053 -10.804 10.443 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.978 -9.037 11.372 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.175 -9.332 12.037 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.748 -7.689 13.414 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.949 -7.986 14.079 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.733 -7.165 14.774 1.00 0.00 H new ATOM 558 N HIS A 36 6.549 -10.888 7.605 1.00 0.00 N ATOM 559 CA HIS A 36 6.652 -11.786 6.460 1.00 0.00 C ATOM 560 C HIS A 36 7.143 -13.164 6.892 1.00 0.00 C ATOM 561 O HIS A 36 8.110 -13.282 7.645 1.00 0.00 O ATOM 562 CB HIS A 36 7.597 -11.201 5.410 1.00 0.00 C ATOM 563 CG HIS A 36 7.687 -12.023 4.161 1.00 0.00 C ATOM 564 ND1 HIS A 36 8.880 -12.490 3.651 1.00 0.00 N ATOM 565 CD2 HIS A 36 6.723 -12.462 3.319 1.00 0.00 C ATOM 566 CE1 HIS A 36 8.646 -13.179 2.549 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.345 -13.178 2.326 1.00 0.00 N ATOM 0 H HIS A 36 7.373 -10.875 8.206 1.00 0.00 H new ATOM 0 HA HIS A 36 5.659 -11.894 6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.262 -10.197 5.151 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.592 -11.103 5.843 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.662 -12.283 3.411 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.392 -13.661 1.935 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.878 -13.635 1.543 1.00 0.00 H new ATOM 575 N VAL A 37 6.470 -14.205 6.412 1.00 0.00 N ATOM 576 CA VAL A 37 6.839 -15.575 6.749 1.00 0.00 C ATOM 577 C VAL A 37 8.003 -16.057 5.891 1.00 0.00 C ATOM 578 O VAL A 37 7.951 -15.995 4.663 1.00 0.00 O ATOM 579 CB VAL A 37 5.649 -16.536 6.567 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.560 -16.237 7.586 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.104 -16.447 5.150 1.00 0.00 C ATOM 0 H VAL A 37 5.667 -14.126 5.789 1.00 0.00 H new ATOM 0 HA VAL A 37 7.140 -15.574 7.797 1.00 0.00 H new ATOM 0 HB VAL A 37 5.999 -17.555 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.728 -16.926 7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.961 -16.357 8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.210 -15.213 7.455 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.264 -17.133 5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.770 -15.429 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.887 -16.716 4.441 1.00 0.00 H new ATOM 591 N ALA A 38 9.054 -16.539 6.547 1.00 0.00 N ATOM 592 CA ALA A 38 10.231 -17.035 5.845 1.00 0.00 C ATOM 593 C ALA A 38 10.174 -18.550 5.680 1.00 0.00 C ATOM 594 O ALA A 38 10.753 -19.105 4.746 1.00 0.00 O ATOM 595 CB ALA A 38 11.497 -16.630 6.586 1.00 0.00 C ATOM 0 H ALA A 38 9.114 -16.596 7.564 1.00 0.00 H new ATOM 0 HA ALA A 38 10.246 -16.588 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.368 -17.007 6.051 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.551 -15.543 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.480 -17.049 7.592 1.00 0.00 H new ATOM 601 N ARG A 39 9.473 -19.214 6.593 1.00 0.00 N ATOM 602 CA ARG A 39 9.342 -20.666 6.550 1.00 0.00 C ATOM 603 C ARG A 39 8.017 -21.111 7.161 1.00 0.00 C ATOM 604 O ARG A 39 7.547 -20.532 8.141 1.00 0.00 O ATOM 605 CB ARG A 39 10.506 -21.326 7.291 1.00 0.00 C ATOM 606 CG ARG A 39 11.700 -21.631 6.402 1.00 0.00 C ATOM 607 CD ARG A 39 11.393 -22.753 5.423 1.00 0.00 C ATOM 608 NE ARG A 39 12.235 -22.685 4.231 1.00 0.00 N ATOM 609 CZ ARG A 39 12.112 -23.508 3.196 1.00 0.00 C ATOM 610 NH1 ARG A 39 11.185 -24.456 3.205 1.00 0.00 N ATOM 611 NH2 ARG A 39 12.915 -23.382 2.148 1.00 0.00 N ATOM 0 H ARG A 39 8.987 -18.770 7.372 1.00 0.00 H new ATOM 0 HA ARG A 39 9.362 -20.977 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.826 -20.673 8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.157 -22.253 7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.984 -20.734 5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.554 -21.909 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.539 -23.714 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.344 -22.701 5.130 1.00 0.00 H new ATOM 0 HE ARG A 39 12.957 -21.966 4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.564 -24.555 4.008 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.093 -25.087 2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.628 -22.653 2.136 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.820 -24.015 1.354 1.00 0.00 H new ATOM 625 N LYS A 40 7.419 -22.143 6.576 1.00 0.00 N ATOM 626 CA LYS A 40 6.148 -22.668 7.062 1.00 0.00 C ATOM 627 C LYS A 40 6.293 -24.120 7.505 1.00 0.00 C ATOM 628 O LYS A 40 6.501 -25.011 6.683 1.00 0.00 O ATOM 629 CB LYS A 40 5.078 -22.560 5.974 1.00 0.00 C ATOM 630 CG LYS A 40 5.552 -23.025 4.607 1.00 0.00 C ATOM 631 CD LYS A 40 6.126 -21.876 3.796 1.00 0.00 C ATOM 632 CE LYS A 40 6.013 -22.138 2.302 1.00 0.00 C ATOM 633 NZ LYS A 40 4.595 -22.160 1.848 1.00 0.00 N ATOM 0 H LYS A 40 7.794 -22.633 5.764 1.00 0.00 H new ATOM 0 HA LYS A 40 5.843 -22.073 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.211 -23.151 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.748 -21.524 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.309 -23.800 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.719 -23.474 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.600 -20.954 4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.173 -21.728 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.557 -21.367 1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.485 -23.091 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.552 -21.934 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.193 -23.106 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.048 -21.456 2.383 1.00 0.00 H new ATOM 647 N GLU A 41 6.180 -24.351 8.810 1.00 0.00 N ATOM 648 CA GLU A 41 6.298 -25.696 9.360 1.00 0.00 C ATOM 649 C GLU A 41 4.922 -26.282 9.664 1.00 0.00 C ATOM 650 O GLU A 41 3.912 -25.583 9.603 1.00 0.00 O ATOM 651 CB GLU A 41 7.149 -25.677 10.632 1.00 0.00 C ATOM 652 CG GLU A 41 8.039 -26.899 10.786 1.00 0.00 C ATOM 653 CD GLU A 41 9.284 -26.614 11.604 1.00 0.00 C ATOM 654 OE1 GLU A 41 10.286 -26.151 11.020 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.256 -26.854 12.829 1.00 0.00 O ATOM 0 H GLU A 41 6.007 -23.625 9.505 1.00 0.00 H new ATOM 0 HA GLU A 41 6.785 -26.325 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.772 -24.782 10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.491 -25.605 11.498 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.472 -27.699 11.261 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.331 -27.258 9.799 1.00 0.00 H new ATOM 662 N GLU A 42 4.893 -27.570 9.992 1.00 0.00 N ATOM 663 CA GLU A 42 3.642 -28.250 10.304 1.00 0.00 C ATOM 664 C GLU A 42 3.117 -27.823 11.672 1.00 0.00 C ATOM 665 O GLU A 42 1.913 -27.862 11.925 1.00 0.00 O ATOM 666 CB GLU A 42 3.839 -29.767 10.271 1.00 0.00 C ATOM 667 CG GLU A 42 4.597 -30.308 11.472 1.00 0.00 C ATOM 668 CD GLU A 42 4.756 -31.816 11.430 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.767 -32.526 11.705 1.00 0.00 O ATOM 670 OE2 GLU A 42 5.872 -32.285 11.122 1.00 0.00 O ATOM 0 H GLU A 42 5.721 -28.163 10.048 1.00 0.00 H new ATOM 0 HA GLU A 42 2.907 -27.970 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.864 -30.251 10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.376 -30.036 9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.582 -29.843 11.515 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.072 -30.027 12.385 1.00 0.00 H new ATOM 677 N GLN A 43 4.029 -27.418 12.549 1.00 0.00 N ATOM 678 CA GLN A 43 3.659 -26.985 13.891 1.00 0.00 C ATOM 679 C GLN A 43 3.521 -25.467 13.955 1.00 0.00 C ATOM 680 O GLN A 43 2.413 -24.938 14.030 1.00 0.00 O ATOM 681 CB GLN A 43 4.699 -27.458 14.908 1.00 0.00 C ATOM 682 CG GLN A 43 4.423 -28.848 15.459 1.00 0.00 C ATOM 683 CD GLN A 43 3.892 -28.817 16.879 1.00 0.00 C ATOM 684 OE1 GLN A 43 3.072 -27.967 17.229 1.00 0.00 O ATOM 685 NE2 GLN A 43 4.356 -29.747 17.705 1.00 0.00 N ATOM 0 H GLN A 43 5.030 -27.381 12.355 1.00 0.00 H new ATOM 0 HA GLN A 43 2.694 -27.430 14.135 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.683 -27.451 14.439 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.735 -26.749 15.735 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.702 -29.353 14.816 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.341 -29.435 15.431 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.035 -30.432 17.372 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.034 -29.777 18.672 1.00 0.00 H new ATOM 694 N TRP A 44 4.654 -24.774 13.926 1.00 0.00 N ATOM 695 CA TRP A 44 4.659 -23.317 13.982 1.00 0.00 C ATOM 696 C TRP A 44 5.244 -22.726 12.704 1.00 0.00 C ATOM 697 O TRP A 44 5.996 -23.389 11.990 1.00 0.00 O ATOM 698 CB TRP A 44 5.459 -22.835 15.193 1.00 0.00 C ATOM 699 CG TRP A 44 5.106 -23.553 16.461 1.00 0.00 C ATOM 700 CD1 TRP A 44 5.960 -24.233 17.282 1.00 0.00 C ATOM 701 CD2 TRP A 44 3.806 -23.664 17.050 1.00 0.00 C ATOM 702 NE1 TRP A 44 5.269 -24.760 18.346 1.00 0.00 N ATOM 703 CE2 TRP A 44 3.946 -24.425 18.228 1.00 0.00 C ATOM 704 CE3 TRP A 44 2.538 -23.194 16.699 1.00 0.00 C ATOM 705 CZ2 TRP A 44 2.866 -24.724 19.053 1.00 0.00 C ATOM 706 CZ3 TRP A 44 1.467 -23.492 17.519 1.00 0.00 C ATOM 707 CH2 TRP A 44 1.636 -24.251 18.685 1.00 0.00 C ATOM 0 H TRP A 44 5.580 -25.197 13.864 1.00 0.00 H new ATOM 0 HA TRP A 44 3.627 -22.978 14.079 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.522 -22.967 14.993 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.290 -21.767 15.329 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.022 -24.341 17.119 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.675 -25.312 19.102 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.398 -22.608 15.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.994 -25.309 19.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.482 -23.134 17.257 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.779 -24.467 19.305 1.00 0.00 H new ATOM 718 N TRP A 45 4.894 -21.476 12.421 1.00 0.00 N ATOM 719 CA TRP A 45 5.385 -20.796 11.228 1.00 0.00 C ATOM 720 C TRP A 45 6.465 -19.781 11.586 1.00 0.00 C ATOM 721 O TRP A 45 6.352 -19.067 12.582 1.00 0.00 O ATOM 722 CB TRP A 45 4.233 -20.100 10.502 1.00 0.00 C ATOM 723 CG TRP A 45 3.164 -21.044 10.042 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.308 -22.373 9.765 1.00 0.00 C ATOM 725 CD2 TRP A 45 1.788 -20.729 9.804 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.104 -22.904 9.369 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.155 -21.916 9.385 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.027 -19.561 9.906 1.00 0.00 C ATOM 729 CZ2 TRP A 45 -0.199 -21.966 9.068 1.00 0.00 C ATOM 730 CZ3 TRP A 45 -0.317 -19.612 9.590 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.920 -20.808 9.176 1.00 0.00 C ATOM 0 H TRP A 45 4.272 -20.913 13.001 1.00 0.00 H new ATOM 0 HA TRP A 45 5.822 -21.545 10.567 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.791 -19.357 11.166 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.628 -19.562 9.640 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.232 -22.926 9.845 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.943 -23.876 9.106 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.482 -18.635 10.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.665 -22.886 8.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.914 -18.715 9.663 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.973 -20.816 8.938 1.00 0.00 H new ATOM 742 N TRP A 46 7.509 -19.721 10.768 1.00 0.00 N ATOM 743 CA TRP A 46 8.609 -18.792 11.000 1.00 0.00 C ATOM 744 C TRP A 46 8.264 -17.400 10.484 1.00 0.00 C ATOM 745 O TRP A 46 7.832 -17.241 9.342 1.00 0.00 O ATOM 746 CB TRP A 46 9.884 -19.299 10.323 1.00 0.00 C ATOM 747 CG TRP A 46 10.395 -20.582 10.904 1.00 0.00 C ATOM 748 CD1 TRP A 46 10.002 -21.847 10.569 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.391 -20.725 11.921 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.695 -22.768 11.318 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.554 -22.105 12.155 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.164 -19.823 12.657 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.455 -22.600 13.093 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.058 -20.316 13.588 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.199 -21.694 13.799 1.00 0.00 C ATOM 0 H TRP A 46 7.617 -20.304 9.938 1.00 0.00 H new ATOM 0 HA TRP A 46 8.777 -18.729 12.075 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.690 -19.442 9.260 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.659 -18.537 10.406 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.257 -22.088 9.825 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.587 -23.781 11.260 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.064 -18.759 12.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.563 -23.662 13.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 13.659 -19.627 14.163 1.00 0.00 H new ATOM 0 HH2 TRP A 46 13.908 -22.048 14.533 1.00 0.00 H new ATOM 766 N ALA A 47 8.457 -16.394 11.331 1.00 0.00 N ATOM 767 CA ALA A 47 8.167 -15.015 10.958 1.00 0.00 C ATOM 768 C ALA A 47 9.314 -14.089 11.348 1.00 0.00 C ATOM 769 O ALA A 47 10.074 -14.379 12.273 1.00 0.00 O ATOM 770 CB ALA A 47 6.870 -14.554 11.606 1.00 0.00 C ATOM 0 H ALA A 47 8.813 -16.508 12.280 1.00 0.00 H new ATOM 0 HA ALA A 47 8.053 -14.974 9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.666 -13.523 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.051 -15.192 11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.963 -14.617 12.690 1.00 0.00 H new ATOM 776 N THR A 48 9.435 -12.972 10.637 1.00 0.00 N ATOM 777 CA THR A 48 10.491 -12.004 10.907 1.00 0.00 C ATOM 778 C THR A 48 9.930 -10.589 10.991 1.00 0.00 C ATOM 779 O THR A 48 9.117 -10.182 10.161 1.00 0.00 O ATOM 780 CB THR A 48 11.584 -12.047 9.823 1.00 0.00 C ATOM 781 OG1 THR A 48 11.945 -13.405 9.545 1.00 0.00 O ATOM 782 CG2 THR A 48 12.816 -11.271 10.265 1.00 0.00 C ATOM 0 H THR A 48 8.814 -12.715 9.869 1.00 0.00 H new ATOM 0 HA THR A 48 10.931 -12.276 11.866 1.00 0.00 H new ATOM 0 HB THR A 48 11.187 -11.584 8.920 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.639 -13.424 8.854 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.574 -11.316 9.483 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.545 -10.231 10.448 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.213 -11.709 11.181 1.00 0.00 H new ATOM 790 N LEU A 49 10.370 -9.842 11.998 1.00 0.00 N ATOM 791 CA LEU A 49 9.913 -8.470 12.190 1.00 0.00 C ATOM 792 C LEU A 49 10.878 -7.480 11.548 1.00 0.00 C ATOM 793 O LEU A 49 12.055 -7.420 11.907 1.00 0.00 O ATOM 794 CB LEU A 49 9.769 -8.164 13.682 1.00 0.00 C ATOM 795 CG LEU A 49 9.735 -6.684 14.064 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.516 -6.005 13.459 1.00 0.00 C ATOM 797 CD2 LEU A 49 9.742 -6.523 15.577 1.00 0.00 C ATOM 0 H LEU A 49 11.043 -10.163 12.694 1.00 0.00 H new ATOM 0 HA LEU A 49 8.941 -8.366 11.708 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.853 -8.632 14.042 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.597 -8.636 14.211 1.00 0.00 H new ATOM 0 HG LEU A 49 10.628 -6.204 13.664 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.508 -4.952 13.741 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.554 -6.089 12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.611 -6.486 13.828 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.718 -5.463 15.830 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.867 -7.017 16.000 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.646 -6.973 15.987 1.00 0.00 H new ATOM 809 N LEU A 50 10.373 -6.702 10.597 1.00 0.00 N ATOM 810 CA LEU A 50 11.190 -5.710 9.905 1.00 0.00 C ATOM 811 C LEU A 50 10.737 -4.295 10.250 1.00 0.00 C ATOM 812 O LEU A 50 9.627 -4.090 10.741 1.00 0.00 O ATOM 813 CB LEU A 50 11.117 -5.927 8.392 1.00 0.00 C ATOM 814 CG LEU A 50 10.700 -7.325 7.934 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.575 -7.374 6.419 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.696 -8.366 8.423 1.00 0.00 C ATOM 0 H LEU A 50 9.402 -6.739 10.287 1.00 0.00 H new ATOM 0 HA LEU A 50 12.222 -5.831 10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.415 -5.205 7.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.095 -5.703 7.965 1.00 0.00 H new ATOM 0 HG LEU A 50 9.726 -7.553 8.366 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.278 -8.376 6.111 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.823 -6.656 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.535 -7.125 5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.383 -9.355 8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.684 -8.142 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.736 -8.348 9.512 1.00 0.00 H new ATOM 828 N ASP A 51 11.603 -3.322 9.988 1.00 0.00 N ATOM 829 CA ASP A 51 11.291 -1.926 10.267 1.00 0.00 C ATOM 830 C ASP A 51 10.374 -1.348 9.193 1.00 0.00 C ATOM 831 O ASP A 51 10.000 -2.039 8.246 1.00 0.00 O ATOM 832 CB ASP A 51 12.576 -1.101 10.354 1.00 0.00 C ATOM 833 CG ASP A 51 13.218 -1.174 11.726 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.480 -1.102 12.731 1.00 0.00 O ATOM 835 OD2 ASP A 51 14.458 -1.303 11.794 1.00 0.00 O ATOM 0 H ASP A 51 12.526 -3.475 9.583 1.00 0.00 H new ATOM 0 HA ASP A 51 10.773 -1.881 11.225 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.284 -1.456 9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.354 -0.061 10.115 1.00 0.00 H new ATOM 840 N GLU A 52 10.015 -0.078 9.350 1.00 0.00 N ATOM 841 CA GLU A 52 9.139 0.591 8.394 1.00 0.00 C ATOM 842 C GLU A 52 9.752 0.582 6.996 1.00 0.00 C ATOM 843 O GLU A 52 9.038 0.591 5.994 1.00 0.00 O ATOM 844 CB GLU A 52 8.871 2.031 8.836 1.00 0.00 C ATOM 845 CG GLU A 52 10.105 2.917 8.807 1.00 0.00 C ATOM 846 CD GLU A 52 9.845 4.297 9.379 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.220 5.122 8.679 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.268 4.553 10.526 1.00 0.00 O ATOM 0 H GLU A 52 10.316 0.508 10.129 1.00 0.00 H new ATOM 0 HA GLU A 52 8.195 0.047 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.108 2.464 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.464 2.022 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.905 2.438 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.454 3.014 7.779 1.00 0.00 H new ATOM 855 N ALA A 53 11.080 0.566 6.939 1.00 0.00 N ATOM 856 CA ALA A 53 11.789 0.555 5.666 1.00 0.00 C ATOM 857 C ALA A 53 11.825 -0.848 5.070 1.00 0.00 C ATOM 858 O ALA A 53 12.071 -1.020 3.876 1.00 0.00 O ATOM 859 CB ALA A 53 13.202 1.091 5.844 1.00 0.00 C ATOM 0 H ALA A 53 11.686 0.560 7.760 1.00 0.00 H new ATOM 0 HA ALA A 53 11.251 1.202 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.720 1.077 4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.159 2.114 6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.741 0.467 6.557 1.00 0.00 H new ATOM 865 N GLY A 54 11.579 -1.850 5.909 1.00 0.00 N ATOM 866 CA GLY A 54 11.589 -3.225 5.446 1.00 0.00 C ATOM 867 C GLY A 54 12.783 -4.002 5.963 1.00 0.00 C ATOM 868 O GLY A 54 12.826 -5.228 5.861 1.00 0.00 O ATOM 0 H GLY A 54 11.373 -1.734 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.672 -3.719 5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.595 -3.238 4.356 1.00 0.00 H new ATOM 872 N GLY A 55 13.757 -3.288 6.519 1.00 0.00 N ATOM 873 CA GLY A 55 14.945 -3.935 7.043 1.00 0.00 C ATOM 874 C GLY A 55 14.649 -4.795 8.256 1.00 0.00 C ATOM 875 O GLY A 55 14.048 -4.329 9.224 1.00 0.00 O ATOM 0 H GLY A 55 13.744 -2.273 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.392 -4.552 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.681 -3.176 7.310 1.00 0.00 H new ATOM 879 N ALA A 56 15.070 -6.054 8.204 1.00 0.00 N ATOM 880 CA ALA A 56 14.847 -6.981 9.306 1.00 0.00 C ATOM 881 C ALA A 56 15.318 -6.385 10.628 1.00 0.00 C ATOM 882 O ALA A 56 16.185 -5.511 10.653 1.00 0.00 O ATOM 883 CB ALA A 56 15.555 -8.301 9.038 1.00 0.00 C ATOM 0 H ALA A 56 15.568 -6.456 7.410 1.00 0.00 H new ATOM 0 HA ALA A 56 13.775 -7.165 9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.379 -8.983 9.870 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.168 -8.742 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.626 -8.125 8.933 1.00 0.00 H new ATOM 889 N VAL A 57 14.741 -6.862 11.727 1.00 0.00 N ATOM 890 CA VAL A 57 15.102 -6.376 13.053 1.00 0.00 C ATOM 891 C VAL A 57 15.123 -7.513 14.068 1.00 0.00 C ATOM 892 O VAL A 57 16.175 -7.864 14.601 1.00 0.00 O ATOM 893 CB VAL A 57 14.125 -5.288 13.537 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.627 -4.656 14.827 1.00 0.00 C ATOM 895 CG2 VAL A 57 13.926 -4.233 12.459 1.00 0.00 C ATOM 0 H VAL A 57 14.021 -7.585 11.725 1.00 0.00 H new ATOM 0 HA VAL A 57 16.101 -5.947 12.972 1.00 0.00 H new ATOM 0 HB VAL A 57 13.161 -5.754 13.740 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.924 -3.890 15.154 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.714 -5.422 15.598 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.603 -4.203 14.654 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.233 -3.472 12.818 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.884 -3.769 12.223 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.519 -4.701 11.563 1.00 0.00 H new ATOM 905 N ALA A 58 13.953 -8.086 14.331 1.00 0.00 N ATOM 906 CA ALA A 58 13.837 -9.186 15.280 1.00 0.00 C ATOM 907 C ALA A 58 13.441 -10.479 14.576 1.00 0.00 C ATOM 908 O ALA A 58 12.978 -10.459 13.436 1.00 0.00 O ATOM 909 CB ALA A 58 12.826 -8.843 16.365 1.00 0.00 C ATOM 0 H ALA A 58 13.072 -7.806 13.900 1.00 0.00 H new ATOM 0 HA ALA A 58 14.812 -9.338 15.742 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.750 -9.674 17.067 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.151 -7.948 16.896 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.852 -8.661 15.911 1.00 0.00 H new ATOM 915 N GLN A 59 13.627 -11.602 15.263 1.00 0.00 N ATOM 916 CA GLN A 59 13.290 -12.905 14.701 1.00 0.00 C ATOM 917 C GLN A 59 12.502 -13.742 15.703 1.00 0.00 C ATOM 918 O GLN A 59 12.909 -13.898 16.854 1.00 0.00 O ATOM 919 CB GLN A 59 14.560 -13.648 14.285 1.00 0.00 C ATOM 920 CG GLN A 59 15.491 -12.821 13.413 1.00 0.00 C ATOM 921 CD GLN A 59 16.671 -13.620 12.897 1.00 0.00 C ATOM 922 OE1 GLN A 59 17.339 -14.324 13.656 1.00 0.00 O ATOM 923 NE2 GLN A 59 16.936 -13.515 11.600 1.00 0.00 N ATOM 0 H GLN A 59 14.009 -11.636 16.208 1.00 0.00 H new ATOM 0 HA GLN A 59 12.667 -12.743 13.821 1.00 0.00 H new ATOM 0 HB2 GLN A 59 15.097 -13.961 15.180 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.281 -14.554 13.747 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.931 -12.421 12.568 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.857 -11.969 13.985 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.357 -12.920 11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.719 -14.029 11.196 1.00 0.00 H new ATOM 932 N GLY A 60 11.370 -14.280 15.258 1.00 0.00 N ATOM 933 CA GLY A 60 10.543 -15.095 16.128 1.00 0.00 C ATOM 934 C GLY A 60 9.341 -15.675 15.410 1.00 0.00 C ATOM 935 O GLY A 60 8.845 -15.092 14.445 1.00 0.00 O ATOM 0 H GLY A 60 11.011 -14.166 14.310 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.143 -15.907 16.539 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.203 -14.492 16.970 1.00 0.00 H new ATOM 939 N TYR A 61 8.873 -16.826 15.878 1.00 0.00 N ATOM 940 CA TYR A 61 7.724 -17.488 15.271 1.00 0.00 C ATOM 941 C TYR A 61 6.494 -17.375 16.167 1.00 0.00 C ATOM 942 O TYR A 61 6.606 -17.120 17.367 1.00 0.00 O ATOM 943 CB TYR A 61 8.040 -18.960 15.003 1.00 0.00 C ATOM 944 CG TYR A 61 8.660 -19.672 16.184 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.912 -19.957 17.319 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.995 -20.057 16.166 1.00 0.00 C ATOM 947 CE1 TYR A 61 8.474 -20.606 18.401 1.00 0.00 C ATOM 948 CE2 TYR A 61 10.565 -20.708 17.242 1.00 0.00 C ATOM 949 CZ TYR A 61 9.801 -20.980 18.358 1.00 0.00 C ATOM 950 OH TYR A 61 10.366 -21.627 19.433 1.00 0.00 O ATOM 0 H TYR A 61 9.271 -17.321 16.676 1.00 0.00 H new ATOM 0 HA TYR A 61 7.509 -16.991 14.325 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.121 -19.474 14.721 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.718 -19.028 14.152 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.873 -19.666 17.356 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.597 -19.843 15.295 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.878 -20.819 19.276 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.604 -21.003 17.210 1.00 0.00 H new ATOM 0 HH TYR A 61 11.307 -21.821 19.240 1.00 0.00 H new ATOM 960 N VAL A 62 5.319 -17.567 15.576 1.00 0.00 N ATOM 961 CA VAL A 62 4.067 -17.489 16.319 1.00 0.00 C ATOM 962 C VAL A 62 2.991 -18.355 15.674 1.00 0.00 C ATOM 963 O VAL A 62 3.034 -18.657 14.481 1.00 0.00 O ATOM 964 CB VAL A 62 3.558 -16.039 16.409 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.343 -15.261 17.455 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.644 -15.359 15.051 1.00 0.00 C ATOM 0 H VAL A 62 5.208 -17.778 14.584 1.00 0.00 H new ATOM 0 HA VAL A 62 4.271 -17.857 17.324 1.00 0.00 H new ATOM 0 HB VAL A 62 2.512 -16.058 16.715 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.969 -14.238 17.504 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.225 -15.738 18.428 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.398 -15.249 17.183 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.280 -14.335 15.133 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.680 -15.350 14.714 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.033 -15.904 14.332 1.00 0.00 H new ATOM 976 N PRO A 63 2.000 -18.765 16.480 1.00 0.00 N ATOM 977 CA PRO A 63 0.892 -19.602 16.010 1.00 0.00 C ATOM 978 C PRO A 63 -0.048 -18.848 15.075 1.00 0.00 C ATOM 979 O PRO A 63 -0.233 -17.637 15.209 1.00 0.00 O ATOM 980 CB PRO A 63 0.166 -19.988 17.301 1.00 0.00 C ATOM 981 CG PRO A 63 0.494 -18.897 18.261 1.00 0.00 C ATOM 982 CD PRO A 63 1.885 -18.443 17.912 1.00 0.00 C ATOM 0 HA PRO A 63 1.244 -20.456 15.431 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.910 -20.065 17.142 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.504 -20.956 17.671 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.217 -18.076 18.176 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.447 -19.255 19.290 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.018 -17.377 18.096 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.638 -18.965 18.503 1.00 0.00 H new ATOM 990 N HIS A 64 -0.640 -19.570 14.129 1.00 0.00 N ATOM 991 CA HIS A 64 -1.562 -18.968 13.173 1.00 0.00 C ATOM 992 C HIS A 64 -2.721 -18.284 13.892 1.00 0.00 C ATOM 993 O HIS A 64 -3.356 -17.382 13.347 1.00 0.00 O ATOM 994 CB HIS A 64 -2.099 -20.030 12.212 1.00 0.00 C ATOM 995 CG HIS A 64 -3.041 -20.999 12.857 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.627 -21.990 13.721 1.00 0.00 N ATOM 997 CD2 HIS A 64 -4.386 -21.124 12.760 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.676 -22.684 14.127 1.00 0.00 C ATOM 999 NE2 HIS A 64 -4.755 -22.178 13.558 1.00 0.00 N ATOM 0 H HIS A 64 -0.498 -20.572 14.004 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.016 -18.216 12.604 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.609 -19.536 11.385 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.260 -20.580 11.786 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.045 -20.509 12.166 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.654 -23.522 14.808 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.708 -22.516 13.690 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.990 -18.719 15.119 1.00 0.00 N ATOM 1008 CA ASN A 65 -4.073 -18.150 15.912 1.00 0.00 C ATOM 1009 C ASN A 65 -3.719 -16.742 16.383 1.00 0.00 C ATOM 1010 O ASN A 65 -4.596 -15.965 16.762 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.375 -19.043 17.117 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.685 -18.682 17.790 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.711 -18.317 18.966 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -6.780 -18.782 17.046 1.00 0.00 N ATOM 0 H ASN A 65 -2.472 -19.464 15.585 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.960 -18.091 15.282 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.410 -20.084 16.795 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.563 -18.960 17.840 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.690 -18.552 17.445 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.711 -19.089 16.076 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.431 -16.422 16.357 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.961 -15.109 16.783 1.00 0.00 C ATOM 1023 C TYR A 66 -2.134 -14.080 15.670 1.00 0.00 C ATOM 1024 O TYR A 66 -2.930 -13.148 15.789 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.491 -15.181 17.202 1.00 0.00 C ATOM 1026 CG TYR A 66 -0.120 -14.193 18.284 1.00 0.00 C ATOM 1027 CD1 TYR A 66 0.286 -12.903 17.965 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -0.175 -14.549 19.626 1.00 0.00 C ATOM 1029 CE1 TYR A 66 0.626 -11.997 18.951 1.00 0.00 C ATOM 1030 CE2 TYR A 66 0.162 -13.649 20.618 1.00 0.00 C ATOM 1031 CZ TYR A 66 0.562 -12.375 20.276 1.00 0.00 C ATOM 1032 OH TYR A 66 0.900 -11.476 21.261 1.00 0.00 O ATOM 0 H TYR A 66 -1.693 -17.054 16.045 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.561 -14.797 17.638 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.271 -16.190 17.552 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.136 -15.003 16.328 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.337 -12.603 16.929 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.487 -15.547 19.898 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.940 -10.998 18.686 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.112 -13.942 21.656 1.00 0.00 H new ATOM 0 HH TYR A 66 1.096 -11.959 22.091 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.384 -14.257 14.588 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.455 -13.345 13.452 1.00 0.00 C ATOM 1044 C LEU A 67 -2.433 -13.860 12.400 1.00 0.00 C ATOM 1045 O LEU A 67 -2.776 -15.041 12.384 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.068 -13.166 12.830 1.00 0.00 C ATOM 1047 CG LEU A 67 0.343 -14.211 11.793 1.00 0.00 C ATOM 1048 CD1 LEU A 67 1.629 -13.794 11.096 1.00 0.00 C ATOM 1049 CD2 LEU A 67 0.505 -15.576 12.445 1.00 0.00 C ATOM 0 H LEU A 67 -0.720 -15.023 14.473 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.813 -12.381 13.813 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.026 -12.183 12.362 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.671 -13.169 13.632 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.446 -14.281 11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.906 -14.550 10.361 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.477 -12.838 10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.426 -13.694 11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.798 -16.307 11.691 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.274 -15.522 13.216 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.440 -15.878 12.896 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.876 -12.965 11.523 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.810 -13.330 10.466 1.00 0.00 C ATOM 1063 C ALA A 68 -3.492 -12.588 9.172 1.00 0.00 C ATOM 1064 O ALA A 68 -3.029 -11.448 9.197 1.00 0.00 O ATOM 1065 CB ALA A 68 -5.239 -13.042 10.903 1.00 0.00 C ATOM 0 H ALA A 68 -2.603 -11.982 11.524 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.707 -14.398 10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.927 -13.319 10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.470 -13.621 11.797 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.346 -11.979 11.121 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.742 -13.244 8.043 1.00 0.00 N ATOM 1072 CA GLU A 69 -3.480 -12.646 6.739 1.00 0.00 C ATOM 1073 C GLU A 69 -4.411 -11.464 6.485 1.00 0.00 C ATOM 1074 O GLU A 69 -5.475 -11.357 7.095 1.00 0.00 O ATOM 1075 CB GLU A 69 -3.647 -13.689 5.632 1.00 0.00 C ATOM 1076 CG GLU A 69 -5.096 -14.048 5.348 1.00 0.00 C ATOM 1077 CD GLU A 69 -5.242 -15.402 4.682 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -4.265 -15.865 4.057 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -6.334 -15.999 4.786 1.00 0.00 O ATOM 0 H GLU A 69 -4.125 -14.189 8.005 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.452 -12.283 6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.189 -13.313 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.105 -14.593 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.657 -14.045 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.537 -13.283 4.709 1.00 0.00 H new ATOM 1086 N ARG A 70 -4.003 -10.580 5.580 1.00 0.00 N ATOM 1087 CA ARG A 70 -4.799 -9.406 5.246 1.00 0.00 C ATOM 1088 C ARG A 70 -4.925 -9.246 3.734 1.00 0.00 C ATOM 1089 O ARG A 70 -5.132 -8.142 3.233 1.00 0.00 O ATOM 1090 CB ARG A 70 -4.172 -8.149 5.852 1.00 0.00 C ATOM 1091 CG ARG A 70 -4.582 -7.898 7.294 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.762 -6.414 7.571 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.794 -5.820 6.725 1.00 0.00 N ATOM 1094 CZ ARG A 70 -7.096 -5.929 6.967 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.522 -6.604 8.025 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -7.973 -5.360 6.150 1.00 0.00 N ATOM 0 H ARG A 70 -3.126 -10.655 5.065 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.796 -9.544 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.087 -8.234 5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.452 -7.286 5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.513 -8.424 7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.826 -8.305 7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.025 -6.270 8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.817 -5.897 7.406 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.499 -5.293 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.850 -7.041 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.522 -6.686 8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.648 -4.839 5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.972 -5.444 6.336 1.00 0.00 H new ATOM 1110 N GLU A 71 -4.798 -10.357 3.014 1.00 0.00 N ATOM 1111 CA GLU A 71 -4.896 -10.339 1.560 1.00 0.00 C ATOM 1112 C GLU A 71 -6.294 -9.918 1.114 1.00 0.00 C ATOM 1113 O GLU A 71 -7.200 -9.766 1.933 1.00 0.00 O ATOM 1114 CB GLU A 71 -4.559 -11.716 0.986 1.00 0.00 C ATOM 1115 CG GLU A 71 -5.530 -12.806 1.409 1.00 0.00 C ATOM 1116 CD GLU A 71 -6.718 -12.923 0.475 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -6.529 -12.760 -0.748 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -7.838 -13.176 0.967 1.00 0.00 O ATOM 0 H GLU A 71 -4.627 -11.280 3.414 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.178 -9.611 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.547 -11.654 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.553 -11.995 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.005 -13.761 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.885 -12.599 2.419 1.00 0.00 H new ATOM 1125 N THR A 72 -6.461 -9.732 -0.192 1.00 0.00 N ATOM 1126 CA THR A 72 -7.746 -9.328 -0.747 1.00 0.00 C ATOM 1127 C THR A 72 -8.534 -10.534 -1.246 1.00 0.00 C ATOM 1128 O THR A 72 -9.765 -10.540 -1.216 1.00 0.00 O ATOM 1129 CB THR A 72 -7.568 -8.330 -1.908 1.00 0.00 C ATOM 1130 OG1 THR A 72 -6.658 -7.292 -1.527 1.00 0.00 O ATOM 1131 CG2 THR A 72 -8.903 -7.720 -2.307 1.00 0.00 C ATOM 0 H THR A 72 -5.722 -9.855 -0.884 1.00 0.00 H new ATOM 0 HA THR A 72 -8.299 -8.844 0.058 1.00 0.00 H new ATOM 0 HB THR A 72 -7.164 -8.871 -2.764 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.549 -6.663 -2.271 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.752 -7.019 -3.128 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.583 -8.510 -2.625 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.332 -7.193 -1.454 1.00 0.00 H new TER 1139 THR A 72