USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 SER OG : rot -90:sc= 0.441 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= -2.88! USER MOD Set 2.1: A 17 GLN : amide:sc= -0.638 K(o=-1.1,f=-1.7) USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= -0.451 USER MOD Set 2.3: A 68 TYR OH : rot 28:sc= 0.00248 USER MOD Single : A 3 HIS :FLIP no HE2:sc= -9.57! C(o=-10!,f=-9.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -115:sc= 1.55 USER MOD Single : A 13 SER OG : rot 23:sc= 0.0987 USER MOD Single : A 16 MET CE :methyl 144:sc= -3.12! (180deg=-6.39!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 159:sc= -0.83 (180deg=-1.37) USER MOD Single : A 34 ASN : amide:sc= -5.54! C(o=-5.5!,f=-7.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 46 THR OG1 : rot -140:sc= -2.53! USER MOD Single : A 47 TYR OH : rot -155:sc= 0.0109 USER MOD Single : A 50 ASN : amide:sc= 0.892 K(o=0.89,f=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.43 F(o=-2.5!,f=-1.4) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -170:sc= 0.659 USER MOD Single : A 63 ASN : amide:sc=-0.00265 X(o=-0.0026,f=0.011) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -14:sc= 0.244 USER MOD Single : A 71 THR OG1 : rot 174:sc= 0.0966 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 83 SER OG : rot -83:sc= -1.62! USER MOD Single : A 85 THR OG1 : rot 46:sc= 0.137 USER MOD Single : A 86 SER OG : rot 180:sc=-0.00463 USER MOD Single : A 87 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.24) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.0581 X(o=0.058,f=0) USER MOD Single : A 92 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.5!) USER MOD Single : A 93 LYS NZ :NH3+ -137:sc= -5.46! (180deg=-10.4!) USER MOD Single : A 94 TYR OH : rot 24:sc= 0.49 USER MOD Single : A 95 SER OG : rot -164:sc= -0.622 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.027 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 44.249 7.165 -42.335 1.00 0.00 N ATOM 32 CA HIS A 3 44.194 6.121 -41.316 1.00 0.00 C ATOM 33 C HIS A 3 44.615 6.672 -39.953 1.00 0.00 C ATOM 34 O HIS A 3 45.358 7.650 -39.871 1.00 0.00 O ATOM 35 CB HIS A 3 45.093 4.945 -41.716 1.00 0.00 C ATOM 36 CG HIS A 3 45.575 4.130 -40.557 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.958 3.168 -39.835 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 46.832 4.273 -40.009 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 45.844 2.751 -38.870 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 46.967 3.433 -38.999 1.00 0.00 N flip ATOM 0 HA HIS A 3 43.166 5.768 -41.239 1.00 0.00 H new ATOM 0 HB2 HIS A 3 44.545 4.297 -42.400 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.955 5.328 -42.262 1.00 0.00 H new ATOM 0 HD1 HIS A 3 44.011 2.817 -39.979 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.588 4.964 -40.352 1.00 0.00 H new ATOM 0 HE1 HIS A 3 45.653 1.990 -38.128 1.00 0.00 H new ATOM 49 N CYS A 4 44.130 6.040 -38.887 1.00 0.00 N ATOM 50 CA CYS A 4 44.454 6.471 -37.533 1.00 0.00 C ATOM 51 C CYS A 4 44.705 5.270 -36.627 1.00 0.00 C ATOM 52 O CYS A 4 43.884 4.358 -36.549 1.00 0.00 O ATOM 53 CB CYS A 4 43.321 7.328 -36.971 1.00 0.00 C ATOM 54 SG CYS A 4 41.662 6.810 -37.528 1.00 0.00 S ATOM 0 H CYS A 4 43.513 5.230 -38.936 1.00 0.00 H new ATOM 0 HA CYS A 4 45.366 7.067 -37.570 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.356 7.292 -35.882 1.00 0.00 H new ATOM 0 HB3 CYS A 4 43.484 8.366 -37.261 1.00 0.00 H new ATOM 59 N VAL A 5 45.847 5.275 -35.948 1.00 0.00 N ATOM 60 CA VAL A 5 46.206 4.184 -35.050 1.00 0.00 C ATOM 61 C VAL A 5 46.649 4.712 -33.690 1.00 0.00 C ATOM 62 O VAL A 5 47.361 5.714 -33.602 1.00 0.00 O ATOM 63 CB VAL A 5 47.334 3.319 -35.645 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.599 4.141 -35.827 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.598 2.107 -34.763 1.00 0.00 C ATOM 0 H VAL A 5 46.539 6.022 -36.002 1.00 0.00 H new ATOM 0 HA VAL A 5 45.314 3.571 -34.923 1.00 0.00 H new ATOM 0 HB VAL A 5 47.016 2.964 -36.626 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.384 3.513 -36.248 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.398 4.973 -36.502 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.923 4.528 -34.861 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.397 1.507 -35.198 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.894 2.439 -33.768 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.692 1.506 -34.690 1.00 0.00 H new ATOM 75 N THR A 6 46.223 4.033 -32.631 1.00 0.00 N ATOM 76 CA THR A 6 46.575 4.433 -31.273 1.00 0.00 C ATOM 77 C THR A 6 48.065 4.247 -31.013 1.00 0.00 C ATOM 78 O THR A 6 48.803 5.219 -30.849 1.00 0.00 O ATOM 79 CB THR A 6 45.778 3.628 -30.229 1.00 0.00 C ATOM 80 OG1 THR A 6 45.992 2.225 -30.425 1.00 0.00 O ATOM 81 CG2 THR A 6 44.293 3.938 -30.327 1.00 0.00 C ATOM 0 H THR A 6 45.633 3.203 -32.686 1.00 0.00 H new ATOM 0 HA THR A 6 46.323 5.489 -31.178 1.00 0.00 H new ATOM 0 HB THR A 6 46.128 3.913 -29.237 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.484 1.720 -29.757 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.750 3.358 -29.580 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.131 5.001 -30.149 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.932 3.677 -31.322 1.00 0.00 H new ATOM 89 N ASP A 7 48.503 2.994 -30.976 1.00 0.00 N ATOM 90 CA ASP A 7 49.907 2.682 -30.733 1.00 0.00 C ATOM 91 C ASP A 7 50.280 1.340 -31.351 1.00 0.00 C ATOM 92 O ASP A 7 51.257 1.235 -32.092 1.00 0.00 O ATOM 93 CB ASP A 7 50.196 2.665 -29.232 1.00 0.00 C ATOM 94 CG ASP A 7 49.632 3.879 -28.520 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.246 4.962 -28.616 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.577 3.745 -27.864 1.00 0.00 O ATOM 0 H ASP A 7 47.907 2.178 -31.111 1.00 0.00 H new ATOM 0 HA ASP A 7 50.512 3.458 -31.202 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.773 1.761 -28.794 1.00 0.00 H new ATOM 0 HB3 ASP A 7 51.273 2.622 -29.073 1.00 0.00 H new ATOM 101 N SER A 8 49.493 0.319 -31.039 1.00 0.00 N ATOM 102 CA SER A 8 49.735 -1.021 -31.561 1.00 0.00 C ATOM 103 C SER A 8 48.641 -1.986 -31.114 1.00 0.00 C ATOM 104 O SER A 8 48.872 -2.856 -30.273 1.00 0.00 O ATOM 105 CB SER A 8 51.101 -1.533 -31.101 1.00 0.00 C ATOM 106 OG SER A 8 51.341 -2.845 -31.578 1.00 0.00 O ATOM 0 H SER A 8 48.681 0.392 -30.427 1.00 0.00 H new ATOM 0 HA SER A 8 49.723 -0.966 -32.650 1.00 0.00 H new ATOM 0 HB2 SER A 8 51.883 -0.864 -31.459 1.00 0.00 H new ATOM 0 HB3 SER A 8 51.148 -1.524 -30.012 1.00 0.00 H new ATOM 0 HG SER A 8 52.221 -3.149 -31.272 1.00 0.00 H new ATOM 112 N GLY A 9 47.450 -1.826 -31.682 1.00 0.00 N ATOM 113 CA GLY A 9 46.338 -2.690 -31.332 1.00 0.00 C ATOM 114 C GLY A 9 45.037 -2.242 -31.968 1.00 0.00 C ATOM 115 O GLY A 9 44.236 -3.067 -32.408 1.00 0.00 O ATOM 0 H GLY A 9 47.235 -1.113 -32.379 1.00 0.00 H new ATOM 0 HA2 GLY A 9 46.561 -3.710 -31.646 1.00 0.00 H new ATOM 0 HA3 GLY A 9 46.222 -2.708 -30.248 1.00 0.00 H new ATOM 119 N VAL A 10 44.829 -0.933 -32.018 1.00 0.00 N ATOM 120 CA VAL A 10 43.619 -0.370 -32.605 1.00 0.00 C ATOM 121 C VAL A 10 43.949 0.454 -33.846 1.00 0.00 C ATOM 122 O VAL A 10 44.466 1.566 -33.745 1.00 0.00 O ATOM 123 CB VAL A 10 42.863 0.515 -31.598 1.00 0.00 C ATOM 124 CG1 VAL A 10 41.502 0.912 -32.147 1.00 0.00 C ATOM 125 CG2 VAL A 10 42.720 -0.201 -30.263 1.00 0.00 C ATOM 0 H VAL A 10 45.484 -0.239 -31.658 1.00 0.00 H new ATOM 0 HA VAL A 10 42.981 -1.208 -32.885 1.00 0.00 H new ATOM 0 HB VAL A 10 43.441 1.425 -31.438 1.00 0.00 H new ATOM 0 HG11 VAL A 10 40.984 1.537 -31.419 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.632 1.468 -33.076 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.912 0.016 -32.340 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.183 0.439 -29.563 1.00 0.00 H new ATOM 0 HG22 VAL A 10 42.166 -1.129 -30.405 1.00 0.00 H new ATOM 0 HG23 VAL A 10 43.709 -0.427 -29.863 1.00 0.00 H new ATOM 135 N VAL A 11 43.651 -0.103 -35.015 1.00 0.00 N ATOM 136 CA VAL A 11 43.921 0.576 -36.276 1.00 0.00 C ATOM 137 C VAL A 11 42.692 1.317 -36.784 1.00 0.00 C ATOM 138 O VAL A 11 42.026 0.867 -37.717 1.00 0.00 O ATOM 139 CB VAL A 11 44.392 -0.416 -37.357 1.00 0.00 C ATOM 140 CG1 VAL A 11 44.463 0.264 -38.716 1.00 0.00 C ATOM 141 CG2 VAL A 11 45.739 -1.014 -36.981 1.00 0.00 C ATOM 0 H VAL A 11 43.222 -1.023 -35.115 1.00 0.00 H new ATOM 0 HA VAL A 11 44.715 1.296 -36.079 1.00 0.00 H new ATOM 0 HB VAL A 11 43.665 -1.225 -37.421 1.00 0.00 H new ATOM 0 HG11 VAL A 11 44.798 -0.454 -39.465 1.00 0.00 H new ATOM 0 HG12 VAL A 11 43.476 0.638 -38.988 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.166 1.095 -38.671 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.056 -1.712 -37.756 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.477 -0.217 -36.886 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.651 -1.542 -36.031 1.00 0.00 H new ATOM 151 N TYR A 12 42.410 2.466 -36.183 1.00 0.00 N ATOM 152 CA TYR A 12 41.275 3.276 -36.598 1.00 0.00 C ATOM 153 C TYR A 12 41.448 3.691 -38.052 1.00 0.00 C ATOM 154 O TYR A 12 42.435 3.329 -38.689 1.00 0.00 O ATOM 155 CB TYR A 12 41.150 4.523 -35.719 1.00 0.00 C ATOM 156 CG TYR A 12 40.811 4.228 -34.278 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.574 3.708 -33.928 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.731 4.475 -33.268 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.260 3.438 -32.610 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.427 4.208 -31.946 1.00 0.00 C ATOM 161 CZ TYR A 12 40.190 3.690 -31.622 1.00 0.00 C ATOM 162 OH TYR A 12 39.883 3.422 -30.308 1.00 0.00 O ATOM 0 H TYR A 12 42.950 2.856 -35.410 1.00 0.00 H new ATOM 0 HA TYR A 12 40.367 2.683 -36.491 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.089 5.076 -35.755 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.381 5.173 -36.136 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.844 3.511 -34.699 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.699 4.882 -33.519 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.292 3.032 -32.354 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.154 4.404 -31.171 1.00 0.00 H new ATOM 0 HH TYR A 12 39.865 4.259 -29.799 1.00 0.00 H new ATOM 172 N SER A 13 40.502 4.457 -38.572 1.00 0.00 N ATOM 173 CA SER A 13 40.582 4.917 -39.950 1.00 0.00 C ATOM 174 C SER A 13 39.998 6.317 -40.093 1.00 0.00 C ATOM 175 O SER A 13 39.043 6.675 -39.406 1.00 0.00 O ATOM 176 CB SER A 13 39.864 3.943 -40.881 1.00 0.00 C ATOM 177 OG SER A 13 40.721 2.884 -41.269 1.00 0.00 O ATOM 0 H SER A 13 39.675 4.772 -38.065 1.00 0.00 H new ATOM 0 HA SER A 13 41.634 4.958 -40.232 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.984 3.538 -40.381 1.00 0.00 H new ATOM 0 HB3 SER A 13 39.512 4.473 -41.766 1.00 0.00 H new ATOM 0 HG SER A 13 41.436 2.782 -40.606 1.00 0.00 H new ATOM 183 N VAL A 14 40.589 7.101 -40.988 1.00 0.00 N ATOM 184 CA VAL A 14 40.153 8.472 -41.237 1.00 0.00 C ATOM 185 C VAL A 14 38.658 8.656 -40.977 1.00 0.00 C ATOM 186 O VAL A 14 37.842 8.541 -41.891 1.00 0.00 O ATOM 187 CB VAL A 14 40.464 8.892 -42.686 1.00 0.00 C ATOM 188 CG1 VAL A 14 40.039 7.804 -43.659 1.00 0.00 C ATOM 189 CG2 VAL A 14 39.787 10.213 -43.021 1.00 0.00 C ATOM 0 H VAL A 14 41.381 6.807 -41.560 1.00 0.00 H new ATOM 0 HA VAL A 14 40.706 9.104 -40.542 1.00 0.00 H new ATOM 0 HB VAL A 14 41.541 9.032 -42.780 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.266 8.118 -44.678 1.00 0.00 H new ATOM 0 HG12 VAL A 14 40.578 6.884 -43.434 1.00 0.00 H new ATOM 0 HG13 VAL A 14 38.967 7.629 -43.564 1.00 0.00 H new ATOM 0 HG21 VAL A 14 40.020 10.491 -44.049 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.708 10.107 -42.909 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.148 10.988 -42.345 1.00 0.00 H new ATOM 199 N GLY A 15 38.309 8.962 -39.729 1.00 0.00 N ATOM 200 CA GLY A 15 36.915 9.177 -39.382 1.00 0.00 C ATOM 201 C GLY A 15 36.356 8.128 -38.439 1.00 0.00 C ATOM 202 O GLY A 15 35.155 8.110 -38.171 1.00 0.00 O ATOM 0 H GLY A 15 38.965 9.064 -38.955 1.00 0.00 H new ATOM 0 HA2 GLY A 15 36.811 10.160 -38.922 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.319 9.188 -40.295 1.00 0.00 H new ATOM 206 N MET A 16 37.219 7.258 -37.926 1.00 0.00 N ATOM 207 CA MET A 16 36.785 6.216 -37.003 1.00 0.00 C ATOM 208 C MET A 16 37.081 6.625 -35.566 1.00 0.00 C ATOM 209 O MET A 16 37.603 5.836 -34.778 1.00 0.00 O ATOM 210 CB MET A 16 37.472 4.889 -37.326 1.00 0.00 C ATOM 211 CG MET A 16 36.531 3.697 -37.295 1.00 0.00 C ATOM 212 SD MET A 16 36.823 2.615 -35.883 1.00 0.00 S ATOM 213 CE MET A 16 38.241 1.685 -36.457 1.00 0.00 C ATOM 0 H MET A 16 38.218 7.253 -38.132 1.00 0.00 H new ATOM 0 HA MET A 16 35.709 6.084 -37.116 1.00 0.00 H new ATOM 0 HB2 MET A 16 37.928 4.956 -38.314 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.279 4.724 -36.612 1.00 0.00 H new ATOM 0 HG2 MET A 16 35.501 4.053 -37.267 1.00 0.00 H new ATOM 0 HG3 MET A 16 36.646 3.125 -38.216 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.908 1.484 -35.619 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.907 0.741 -36.889 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.773 2.262 -37.214 1.00 0.00 H new ATOM 223 N GLN A 17 36.747 7.869 -35.238 1.00 0.00 N ATOM 224 CA GLN A 17 36.978 8.397 -33.901 1.00 0.00 C ATOM 225 C GLN A 17 36.646 7.362 -32.835 1.00 0.00 C ATOM 226 O GLN A 17 36.042 6.327 -33.120 1.00 0.00 O ATOM 227 CB GLN A 17 36.144 9.660 -33.678 1.00 0.00 C ATOM 228 CG GLN A 17 34.724 9.549 -34.202 1.00 0.00 C ATOM 229 CD GLN A 17 33.690 9.615 -33.094 1.00 0.00 C ATOM 230 OE1 GLN A 17 32.732 8.844 -33.077 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.883 10.541 -32.161 1.00 0.00 N ATOM 0 H GLN A 17 36.314 8.531 -35.883 1.00 0.00 H new ATOM 0 HA GLN A 17 38.036 8.646 -33.818 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.113 9.881 -32.611 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.637 10.502 -34.164 1.00 0.00 H new ATOM 0 HG2 GLN A 17 34.539 10.352 -34.915 1.00 0.00 H new ATOM 0 HG3 GLN A 17 34.612 8.610 -34.744 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.692 11.159 -32.216 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.222 10.634 -31.390 1.00 0.00 H new ATOM 240 N TRP A 18 37.049 7.651 -31.605 1.00 0.00 N ATOM 241 CA TRP A 18 36.807 6.754 -30.484 1.00 0.00 C ATOM 242 C TRP A 18 36.767 7.543 -29.176 1.00 0.00 C ATOM 243 O TRP A 18 36.540 8.753 -29.184 1.00 0.00 O ATOM 244 CB TRP A 18 37.901 5.684 -30.439 1.00 0.00 C ATOM 245 CG TRP A 18 39.279 6.261 -30.359 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.034 6.429 -29.235 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.067 6.756 -31.450 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.242 6.995 -29.558 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.286 7.206 -30.912 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.859 6.861 -32.830 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.292 7.754 -31.705 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.859 7.403 -33.613 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.061 7.843 -33.050 1.00 0.00 C ATOM 0 H TRP A 18 37.548 8.505 -31.358 1.00 0.00 H new ATOM 0 HA TRP A 18 35.842 6.264 -30.614 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.733 5.037 -29.578 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.826 5.058 -31.328 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.726 6.156 -28.236 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.986 7.222 -28.898 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.934 6.524 -33.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.221 8.096 -31.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.710 7.489 -34.679 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.823 8.262 -33.691 1.00 0.00 H new ATOM 264 N LEU A 19 36.988 6.864 -28.054 1.00 0.00 N ATOM 265 CA LEU A 19 36.973 7.522 -26.754 1.00 0.00 C ATOM 266 C LEU A 19 38.063 6.963 -25.847 1.00 0.00 C ATOM 267 O LEU A 19 38.025 5.795 -25.462 1.00 0.00 O ATOM 268 CB LEU A 19 35.607 7.359 -26.084 1.00 0.00 C ATOM 269 CG LEU A 19 35.319 8.347 -24.951 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.104 9.748 -25.504 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.108 7.896 -24.148 1.00 0.00 C ATOM 0 H LEU A 19 37.179 5.863 -28.020 1.00 0.00 H new ATOM 0 HA LEU A 19 37.165 8.583 -26.915 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.832 7.464 -26.843 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.531 6.346 -25.690 1.00 0.00 H new ATOM 0 HG LEU A 19 36.183 8.371 -24.287 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.901 10.436 -24.683 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.000 10.071 -26.035 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.258 9.742 -26.191 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.917 8.609 -23.346 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.237 7.843 -24.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.301 6.912 -23.720 1.00 0.00 H new ATOM 283 N LYS A 20 39.032 7.806 -25.509 1.00 0.00 N ATOM 284 CA LYS A 20 40.130 7.395 -24.645 1.00 0.00 C ATOM 285 C LYS A 20 39.796 7.660 -23.181 1.00 0.00 C ATOM 286 O LYS A 20 39.284 8.724 -22.834 1.00 0.00 O ATOM 287 CB LYS A 20 41.416 8.130 -25.028 1.00 0.00 C ATOM 288 CG LYS A 20 42.666 7.273 -24.907 1.00 0.00 C ATOM 289 CD LYS A 20 43.163 6.816 -26.269 1.00 0.00 C ATOM 290 CE LYS A 20 43.364 5.309 -26.311 1.00 0.00 C ATOM 291 NZ LYS A 20 44.623 4.897 -25.631 1.00 0.00 N ATOM 0 H LYS A 20 39.079 8.776 -25.820 1.00 0.00 H new ATOM 0 HA LYS A 20 40.281 6.324 -24.778 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.329 8.487 -26.054 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.525 9.009 -24.393 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.450 7.840 -24.404 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.453 6.403 -24.286 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.447 7.110 -27.036 1.00 0.00 H new ATOM 0 HD3 LYS A 20 44.103 7.316 -26.501 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.516 4.816 -25.835 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.385 4.974 -27.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.723 3.863 -25.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.435 5.347 -26.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.592 5.193 -24.635 1.00 0.00 H new ATOM 379 N GLN A 26 38.180 10.598 -18.360 1.00 0.00 N ATOM 380 CA GLN A 26 37.481 10.368 -19.617 1.00 0.00 C ATOM 381 C GLN A 26 38.032 11.283 -20.703 1.00 0.00 C ATOM 382 O GLN A 26 38.505 12.380 -20.416 1.00 0.00 O ATOM 383 CB GLN A 26 35.978 10.604 -19.443 1.00 0.00 C ATOM 384 CG GLN A 26 35.160 9.323 -19.431 1.00 0.00 C ATOM 385 CD GLN A 26 33.766 9.525 -18.871 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.467 9.107 -17.753 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.904 10.170 -19.648 1.00 0.00 N ATOM 0 HA GLN A 26 37.640 9.332 -19.916 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.808 11.143 -18.511 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.623 11.245 -20.250 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.086 8.934 -20.447 1.00 0.00 H new ATOM 0 HG3 GLN A 26 35.680 8.570 -18.838 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.195 10.499 -20.569 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.951 10.336 -19.324 1.00 0.00 H new ATOM 396 N MET A 27 37.976 10.828 -21.949 1.00 0.00 N ATOM 397 CA MET A 27 38.480 11.618 -23.064 1.00 0.00 C ATOM 398 C MET A 27 38.025 11.035 -24.399 1.00 0.00 C ATOM 399 O MET A 27 37.829 9.826 -24.525 1.00 0.00 O ATOM 400 CB MET A 27 40.008 11.683 -23.013 1.00 0.00 C ATOM 401 CG MET A 27 40.628 12.392 -24.204 1.00 0.00 C ATOM 402 SD MET A 27 41.171 11.244 -25.483 1.00 0.00 S ATOM 403 CE MET A 27 42.912 11.096 -25.089 1.00 0.00 C ATOM 0 H MET A 27 37.589 9.921 -22.211 1.00 0.00 H new ATOM 0 HA MET A 27 38.075 12.626 -22.977 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.311 12.194 -22.099 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.405 10.669 -22.958 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.903 13.086 -24.628 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.478 12.985 -23.868 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.306 10.175 -25.520 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.452 11.949 -25.500 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.039 11.073 -24.007 1.00 0.00 H new ATOM 413 N LEU A 28 37.858 11.904 -25.391 1.00 0.00 N ATOM 414 CA LEU A 28 37.423 11.480 -26.718 1.00 0.00 C ATOM 415 C LEU A 28 38.517 11.727 -27.751 1.00 0.00 C ATOM 416 O LEU A 28 39.044 12.833 -27.855 1.00 0.00 O ATOM 417 CB LEU A 28 36.155 12.232 -27.125 1.00 0.00 C ATOM 418 CG LEU A 28 35.831 12.188 -28.619 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.565 11.383 -28.868 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.690 13.597 -29.175 1.00 0.00 C ATOM 0 H LEU A 28 38.017 12.907 -25.301 1.00 0.00 H new ATOM 0 HA LEU A 28 37.212 10.411 -26.679 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.311 11.818 -26.573 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.254 13.274 -26.820 1.00 0.00 H new ATOM 0 HG LEU A 28 36.655 11.696 -29.136 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.351 11.363 -29.937 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.705 10.364 -28.507 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.731 11.844 -28.339 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.460 13.547 -30.239 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.885 14.115 -28.653 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.624 14.140 -29.031 1.00 0.00 H new ATOM 432 N CYS A 29 38.852 10.692 -28.516 1.00 0.00 N ATOM 433 CA CYS A 29 39.883 10.799 -29.544 1.00 0.00 C ATOM 434 C CYS A 29 39.288 10.603 -30.936 1.00 0.00 C ATOM 435 O CYS A 29 38.594 9.619 -31.189 1.00 0.00 O ATOM 436 CB CYS A 29 40.983 9.766 -29.300 1.00 0.00 C ATOM 437 SG CYS A 29 42.389 10.384 -28.320 1.00 0.00 S ATOM 0 H CYS A 29 38.424 9.769 -28.443 1.00 0.00 H new ATOM 0 HA CYS A 29 40.312 11.799 -29.489 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.550 8.905 -28.790 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.353 9.413 -30.262 1.00 0.00 H new ATOM 442 N THR A 30 39.569 11.541 -31.839 1.00 0.00 N ATOM 443 CA THR A 30 39.062 11.456 -33.206 1.00 0.00 C ATOM 444 C THR A 30 40.183 11.625 -34.218 1.00 0.00 C ATOM 445 O THR A 30 41.154 12.339 -33.971 1.00 0.00 O ATOM 446 CB THR A 30 37.991 12.526 -33.496 1.00 0.00 C ATOM 447 OG1 THR A 30 36.853 12.327 -32.649 1.00 0.00 O ATOM 448 CG2 THR A 30 37.561 12.476 -34.959 1.00 0.00 C ATOM 0 H THR A 30 40.142 12.364 -31.650 1.00 0.00 H new ATOM 0 HA THR A 30 38.615 10.466 -33.300 1.00 0.00 H new ATOM 0 HB THR A 30 38.423 13.506 -33.293 1.00 0.00 H new ATOM 0 HG1 THR A 30 36.179 13.013 -32.840 1.00 0.00 H new ATOM 0 HG21 THR A 30 36.805 13.239 -35.142 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.424 12.660 -35.598 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.146 11.493 -35.183 1.00 0.00 H new ATOM 456 N CYS A 31 40.035 10.975 -35.364 1.00 0.00 N ATOM 457 CA CYS A 31 41.028 11.071 -36.421 1.00 0.00 C ATOM 458 C CYS A 31 40.399 11.629 -37.689 1.00 0.00 C ATOM 459 O CYS A 31 39.664 10.936 -38.392 1.00 0.00 O ATOM 460 CB CYS A 31 41.660 9.709 -36.697 1.00 0.00 C ATOM 461 SG CYS A 31 40.471 8.396 -37.101 1.00 0.00 S ATOM 0 H CYS A 31 39.238 10.377 -35.584 1.00 0.00 H new ATOM 0 HA CYS A 31 41.813 11.751 -36.091 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.365 9.810 -37.522 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.235 9.405 -35.822 1.00 0.00 H new ATOM 466 N LEU A 32 40.684 12.894 -37.962 1.00 0.00 N ATOM 467 CA LEU A 32 40.142 13.567 -39.136 1.00 0.00 C ATOM 468 C LEU A 32 40.918 13.185 -40.394 1.00 0.00 C ATOM 469 O LEU A 32 40.627 12.172 -41.028 1.00 0.00 O ATOM 470 CB LEU A 32 40.172 15.084 -38.937 1.00 0.00 C ATOM 471 CG LEU A 32 41.303 15.600 -38.044 1.00 0.00 C ATOM 472 CD1 LEU A 32 41.871 16.897 -38.595 1.00 0.00 C ATOM 473 CD2 LEU A 32 40.811 15.791 -36.617 1.00 0.00 C ATOM 0 H LEU A 32 41.290 13.478 -37.385 1.00 0.00 H new ATOM 0 HA LEU A 32 39.108 13.246 -39.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 40.255 15.561 -39.913 1.00 0.00 H new ATOM 0 HB3 LEU A 32 39.220 15.397 -38.509 1.00 0.00 H new ATOM 0 HG LEU A 32 42.100 14.857 -38.035 1.00 0.00 H new ATOM 0 HD11 LEU A 32 42.674 17.247 -37.946 1.00 0.00 H new ATOM 0 HD12 LEU A 32 42.263 16.726 -39.597 1.00 0.00 H new ATOM 0 HD13 LEU A 32 41.084 17.650 -38.637 1.00 0.00 H new ATOM 0 HD21 LEU A 32 41.628 16.158 -35.996 1.00 0.00 H new ATOM 0 HD22 LEU A 32 39.995 16.514 -36.607 1.00 0.00 H new ATOM 0 HD23 LEU A 32 40.457 14.838 -36.224 1.00 0.00 H new ATOM 485 N GLY A 33 41.907 14.001 -40.752 1.00 0.00 N ATOM 486 CA GLY A 33 42.701 13.722 -41.934 1.00 0.00 C ATOM 487 C GLY A 33 44.171 14.027 -41.738 1.00 0.00 C ATOM 488 O GLY A 33 45.034 13.301 -42.232 1.00 0.00 O ATOM 0 H GLY A 33 42.171 14.847 -40.246 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.585 12.672 -42.205 1.00 0.00 H new ATOM 0 HA3 GLY A 33 42.321 14.310 -42.769 1.00 0.00 H new ATOM 492 N ASN A 34 44.460 15.101 -41.013 1.00 0.00 N ATOM 493 CA ASN A 34 45.838 15.496 -40.753 1.00 0.00 C ATOM 494 C ASN A 34 46.475 14.572 -39.723 1.00 0.00 C ATOM 495 O ASN A 34 47.620 14.147 -39.876 1.00 0.00 O ATOM 496 CB ASN A 34 45.897 16.950 -40.272 1.00 0.00 C ATOM 497 CG ASN A 34 45.690 17.082 -38.775 1.00 0.00 C ATOM 498 OD1 ASN A 34 44.625 17.496 -38.317 1.00 0.00 O ATOM 499 ND2 ASN A 34 46.713 16.731 -38.007 1.00 0.00 N ATOM 0 H ASN A 34 43.759 15.713 -40.595 1.00 0.00 H new ATOM 0 HA ASN A 34 46.399 15.415 -41.684 1.00 0.00 H new ATOM 0 HB2 ASN A 34 46.863 17.378 -40.540 1.00 0.00 H new ATOM 0 HB3 ASN A 34 45.136 17.531 -40.792 1.00 0.00 H new ATOM 0 HD21 ASN A 34 46.636 16.799 -36.992 1.00 0.00 H new ATOM 0 HD22 ASN A 34 47.577 16.393 -38.431 1.00 0.00 H new ATOM 506 N GLY A 35 45.721 14.265 -38.675 1.00 0.00 N ATOM 507 CA GLY A 35 46.223 13.390 -37.632 1.00 0.00 C ATOM 508 C GLY A 35 45.113 12.807 -36.779 1.00 0.00 C ATOM 509 O GLY A 35 44.290 12.031 -37.263 1.00 0.00 O ATOM 0 H GLY A 35 44.771 14.606 -38.528 1.00 0.00 H new ATOM 0 HA2 GLY A 35 46.792 12.579 -38.086 1.00 0.00 H new ATOM 0 HA3 GLY A 35 46.912 13.946 -36.996 1.00 0.00 H new ATOM 513 N VAL A 36 45.092 13.187 -35.506 1.00 0.00 N ATOM 514 CA VAL A 36 44.079 12.705 -34.576 1.00 0.00 C ATOM 515 C VAL A 36 43.906 13.678 -33.414 1.00 0.00 C ATOM 516 O VAL A 36 44.824 13.882 -32.621 1.00 0.00 O ATOM 517 CB VAL A 36 44.436 11.310 -34.020 1.00 0.00 C ATOM 518 CG1 VAL A 36 43.546 10.957 -32.837 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.327 10.255 -35.108 1.00 0.00 C ATOM 0 H VAL A 36 45.768 13.830 -35.094 1.00 0.00 H new ATOM 0 HA VAL A 36 43.144 12.630 -35.132 1.00 0.00 H new ATOM 0 HB VAL A 36 45.469 11.336 -33.672 1.00 0.00 H new ATOM 0 HG11 VAL A 36 43.815 9.970 -32.461 1.00 0.00 H new ATOM 0 HG12 VAL A 36 43.681 11.696 -32.047 1.00 0.00 H new ATOM 0 HG13 VAL A 36 42.503 10.952 -33.155 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.583 9.279 -34.695 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.307 10.231 -35.491 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.013 10.497 -35.919 1.00 0.00 H new ATOM 529 N SER A 37 42.724 14.276 -33.320 1.00 0.00 N ATOM 530 CA SER A 37 42.434 15.227 -32.256 1.00 0.00 C ATOM 531 C SER A 37 41.520 14.600 -31.211 1.00 0.00 C ATOM 532 O SER A 37 40.611 13.842 -31.544 1.00 0.00 O ATOM 533 CB SER A 37 41.787 16.490 -32.827 1.00 0.00 C ATOM 534 OG SER A 37 41.647 17.487 -31.831 1.00 0.00 O ATOM 0 H SER A 37 41.952 14.119 -33.968 1.00 0.00 H new ATOM 0 HA SER A 37 43.375 15.500 -31.779 1.00 0.00 H new ATOM 0 HB2 SER A 37 42.394 16.874 -33.647 1.00 0.00 H new ATOM 0 HB3 SER A 37 40.809 16.246 -33.241 1.00 0.00 H new ATOM 0 HG SER A 37 41.233 18.284 -32.222 1.00 0.00 H new ATOM 540 N CYS A 38 41.771 14.915 -29.945 1.00 0.00 N ATOM 541 CA CYS A 38 40.968 14.371 -28.860 1.00 0.00 C ATOM 542 C CYS A 38 40.487 15.470 -27.920 1.00 0.00 C ATOM 543 O CYS A 38 40.897 16.625 -28.031 1.00 0.00 O ATOM 544 CB CYS A 38 41.772 13.336 -28.074 1.00 0.00 C ATOM 545 SG CYS A 38 42.761 12.215 -29.113 1.00 0.00 S ATOM 0 H CYS A 38 42.520 15.540 -29.648 1.00 0.00 H new ATOM 0 HA CYS A 38 40.094 13.892 -29.302 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.437 13.856 -27.385 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.086 12.743 -27.469 1.00 0.00 H new ATOM 550 N GLN A 39 39.614 15.094 -26.991 1.00 0.00 N ATOM 551 CA GLN A 39 39.071 16.036 -26.023 1.00 0.00 C ATOM 552 C GLN A 39 39.231 15.501 -24.604 1.00 0.00 C ATOM 553 O GLN A 39 38.358 14.798 -24.092 1.00 0.00 O ATOM 554 CB GLN A 39 37.593 16.304 -26.317 1.00 0.00 C ATOM 555 CG GLN A 39 37.008 17.446 -25.506 1.00 0.00 C ATOM 556 CD GLN A 39 35.873 18.150 -26.224 1.00 0.00 C ATOM 557 OE1 GLN A 39 34.700 17.870 -25.979 1.00 0.00 O ATOM 558 NE2 GLN A 39 36.219 19.069 -27.118 1.00 0.00 N ATOM 0 H GLN A 39 39.268 14.140 -26.889 1.00 0.00 H new ATOM 0 HA GLN A 39 39.625 16.971 -26.107 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.477 16.526 -27.378 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.021 15.398 -26.117 1.00 0.00 H new ATOM 0 HG2 GLN A 39 36.647 17.061 -24.552 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.794 18.167 -25.282 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.205 19.269 -27.289 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.499 19.575 -27.634 1.00 0.00 H new ATOM 636 N GLN A 45 29.110 20.997 -17.995 1.00 0.00 N ATOM 637 CA GLN A 45 27.989 21.260 -17.099 1.00 0.00 C ATOM 638 C GLN A 45 26.775 21.768 -17.873 1.00 0.00 C ATOM 639 O GLN A 45 26.803 21.860 -19.101 1.00 0.00 O ATOM 640 CB GLN A 45 28.389 22.283 -16.034 1.00 0.00 C ATOM 641 CG GLN A 45 29.826 22.138 -15.562 1.00 0.00 C ATOM 642 CD GLN A 45 29.993 22.459 -14.090 1.00 0.00 C ATOM 643 OE1 GLN A 45 29.385 23.396 -13.573 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.823 21.680 -13.405 1.00 0.00 N ATOM 0 HA GLN A 45 27.721 20.322 -16.613 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.246 23.287 -16.434 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.722 22.183 -15.178 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.164 21.119 -15.748 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.465 22.798 -16.148 1.00 0.00 H new ATOM 0 HE21 GLN A 45 31.307 20.914 -13.873 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.976 21.848 -12.411 1.00 0.00 H new ATOM 653 N THR A 46 25.715 22.098 -17.144 1.00 0.00 N ATOM 654 CA THR A 46 24.487 22.601 -17.752 1.00 0.00 C ATOM 655 C THR A 46 23.810 23.618 -16.841 1.00 0.00 C ATOM 656 O THR A 46 23.935 23.545 -15.618 1.00 0.00 O ATOM 657 CB THR A 46 23.503 21.455 -18.052 1.00 0.00 C ATOM 658 OG1 THR A 46 22.993 20.917 -16.826 1.00 0.00 O ATOM 659 CG2 THR A 46 24.184 20.355 -18.850 1.00 0.00 C ATOM 0 H THR A 46 25.681 22.026 -16.127 1.00 0.00 H new ATOM 0 HA THR A 46 24.764 23.083 -18.690 1.00 0.00 H new ATOM 0 HB THR A 46 22.680 21.855 -18.644 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.934 19.941 -16.897 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.470 19.556 -19.051 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.548 20.762 -19.794 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.023 19.957 -18.279 1.00 0.00 H new ATOM 667 N TYR A 47 23.101 24.573 -17.436 1.00 0.00 N ATOM 668 CA TYR A 47 22.419 25.606 -16.661 1.00 0.00 C ATOM 669 C TYR A 47 20.924 25.655 -16.963 1.00 0.00 C ATOM 670 O TYR A 47 20.122 26.001 -16.095 1.00 0.00 O ATOM 671 CB TYR A 47 23.038 26.976 -16.936 1.00 0.00 C ATOM 672 CG TYR A 47 23.586 27.132 -18.337 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.766 27.545 -19.380 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.921 26.874 -18.614 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.264 27.694 -20.661 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.427 27.023 -19.892 1.00 0.00 C ATOM 677 CZ TYR A 47 24.593 27.433 -20.911 1.00 0.00 C ATOM 678 OH TYR A 47 25.092 27.581 -22.185 1.00 0.00 O ATOM 0 H TYR A 47 22.984 24.654 -18.446 1.00 0.00 H new ATOM 0 HA TYR A 47 22.544 25.350 -15.609 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.285 27.745 -16.763 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.842 27.151 -16.221 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.724 27.753 -19.187 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.576 26.551 -17.818 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.614 28.014 -21.462 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.469 26.820 -20.091 1.00 0.00 H new ATOM 0 HH TYR A 47 25.880 27.009 -22.296 1.00 0.00 H new ATOM 688 N GLY A 48 20.549 25.320 -18.192 1.00 0.00 N ATOM 689 CA GLY A 48 19.149 25.350 -18.565 1.00 0.00 C ATOM 690 C GLY A 48 18.873 24.647 -19.877 1.00 0.00 C ATOM 691 O GLY A 48 18.887 23.418 -19.947 1.00 0.00 O ATOM 0 H GLY A 48 21.187 25.030 -18.933 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.558 24.883 -17.777 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.820 26.387 -18.638 1.00 0.00 H new ATOM 695 N GLY A 49 18.617 25.429 -20.920 1.00 0.00 N ATOM 696 CA GLY A 49 18.333 24.858 -22.223 1.00 0.00 C ATOM 697 C GLY A 49 16.870 24.498 -22.386 1.00 0.00 C ATOM 698 O GLY A 49 16.016 25.376 -22.507 1.00 0.00 O ATOM 0 H GLY A 49 18.601 26.448 -20.886 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.619 25.568 -22.999 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.943 23.966 -22.367 1.00 0.00 H new ATOM 702 N ASN A 50 16.579 23.201 -22.385 1.00 0.00 N ATOM 703 CA ASN A 50 15.209 22.726 -22.532 1.00 0.00 C ATOM 704 C ASN A 50 14.879 21.677 -21.473 1.00 0.00 C ATOM 705 O ASN A 50 13.774 21.133 -21.452 1.00 0.00 O ATOM 706 CB ASN A 50 15.000 22.139 -23.930 1.00 0.00 C ATOM 707 CG ASN A 50 13.641 22.488 -24.506 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.544 23.104 -25.566 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.583 22.093 -23.807 1.00 0.00 N ATOM 0 H ASN A 50 17.274 22.461 -22.284 1.00 0.00 H new ATOM 0 HA ASN A 50 14.539 23.575 -22.396 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.780 22.508 -24.596 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.105 21.055 -23.886 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.643 22.298 -24.145 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.711 21.584 -22.932 1.00 0.00 H new ATOM 716 N SER A 51 15.840 21.394 -20.598 1.00 0.00 N ATOM 717 CA SER A 51 15.641 20.405 -19.545 1.00 0.00 C ATOM 718 C SER A 51 16.068 20.941 -18.180 1.00 0.00 C ATOM 719 O SER A 51 15.905 20.265 -17.166 1.00 0.00 O ATOM 720 CB SER A 51 16.418 19.127 -19.867 1.00 0.00 C ATOM 721 OG SER A 51 15.859 18.009 -19.199 1.00 0.00 O ATOM 0 H SER A 51 16.760 21.834 -20.598 1.00 0.00 H new ATOM 0 HA SER A 51 14.575 20.181 -19.500 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.409 18.954 -20.943 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.460 19.247 -19.572 1.00 0.00 H new ATOM 0 HG SER A 51 16.290 17.901 -18.325 1.00 0.00 H new ATOM 727 N ASN A 52 16.617 22.155 -18.158 1.00 0.00 N ATOM 728 CA ASN A 52 17.064 22.768 -16.917 1.00 0.00 C ATOM 729 C ASN A 52 18.338 22.101 -16.412 1.00 0.00 C ATOM 730 O ASN A 52 18.677 22.194 -15.232 1.00 0.00 O ATOM 731 CB ASN A 52 15.965 22.680 -15.861 1.00 0.00 C ATOM 732 CG ASN A 52 16.324 23.419 -14.586 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.920 22.707 -13.636 1.00 0.00 O flip ATOM 734 ND2 ASN A 52 16.069 24.616 -14.457 1.00 0.00 N flip ATOM 0 H ASN A 52 16.761 22.730 -18.988 1.00 0.00 H new ATOM 0 HA ASN A 52 17.283 23.818 -17.112 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.041 23.091 -16.268 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.772 21.633 -15.628 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.610 25.124 -15.213 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.317 25.100 -13.594 1.00 0.00 H new ATOM 741 N GLY A 53 19.041 21.429 -17.319 1.00 0.00 N ATOM 742 CA GLY A 53 20.274 20.755 -16.956 1.00 0.00 C ATOM 743 C GLY A 53 20.161 19.245 -17.044 1.00 0.00 C ATOM 744 O GLY A 53 19.904 18.696 -18.115 1.00 0.00 O ATOM 0 H GLY A 53 18.778 21.339 -18.300 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.076 21.094 -17.612 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.552 21.036 -15.940 1.00 0.00 H new ATOM 748 N GLU A 54 20.359 18.573 -15.914 1.00 0.00 N ATOM 749 CA GLU A 54 20.282 17.116 -15.866 1.00 0.00 C ATOM 750 C GLU A 54 21.420 16.482 -16.656 1.00 0.00 C ATOM 751 O GLU A 54 22.090 17.146 -17.449 1.00 0.00 O ATOM 752 CB GLU A 54 18.939 16.633 -16.415 1.00 0.00 C ATOM 753 CG GLU A 54 17.737 17.241 -15.711 1.00 0.00 C ATOM 754 CD GLU A 54 16.426 16.632 -16.166 1.00 0.00 C ATOM 755 OE1 GLU A 54 16.197 16.564 -17.392 1.00 0.00 O ATOM 756 OE2 GLU A 54 15.629 16.221 -15.298 1.00 0.00 O ATOM 0 H GLU A 54 20.574 19.013 -15.019 1.00 0.00 H new ATOM 0 HA GLU A 54 20.372 16.811 -14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.885 16.870 -17.478 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.890 15.548 -16.327 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.843 17.104 -14.635 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.718 18.315 -15.895 1.00 0.00 H new ATOM 763 N PRO A 55 21.653 15.179 -16.446 1.00 0.00 N ATOM 764 CA PRO A 55 22.712 14.435 -17.132 1.00 0.00 C ATOM 765 C PRO A 55 22.397 14.215 -18.608 1.00 0.00 C ATOM 766 O PRO A 55 21.269 13.879 -18.968 1.00 0.00 O ATOM 767 CB PRO A 55 22.759 13.088 -16.395 1.00 0.00 C ATOM 768 CG PRO A 55 21.894 13.250 -15.187 1.00 0.00 C ATOM 769 CD PRO A 55 20.901 14.325 -15.522 1.00 0.00 C ATOM 0 HA PRO A 55 23.658 14.975 -17.111 1.00 0.00 H new ATOM 0 HB2 PRO A 55 22.394 12.282 -17.031 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.780 12.833 -16.112 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.388 12.316 -14.943 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.489 13.528 -14.317 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.003 13.917 -15.987 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.580 14.871 -14.635 1.00 0.00 H new ATOM 777 N CYS A 56 23.401 14.401 -19.457 1.00 0.00 N ATOM 778 CA CYS A 56 23.232 14.217 -20.893 1.00 0.00 C ATOM 779 C CYS A 56 23.185 12.734 -21.243 1.00 0.00 C ATOM 780 O CYS A 56 23.348 11.877 -20.375 1.00 0.00 O ATOM 781 CB CYS A 56 24.362 14.907 -21.654 1.00 0.00 C ATOM 782 SG CYS A 56 24.654 16.632 -21.145 1.00 0.00 S ATOM 0 H CYS A 56 24.341 14.679 -19.175 1.00 0.00 H new ATOM 0 HA CYS A 56 22.285 14.670 -21.188 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.281 14.337 -21.514 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.133 14.887 -22.720 1.00 0.00 H new ATOM 787 N VAL A 57 22.949 12.436 -22.515 1.00 0.00 N ATOM 788 CA VAL A 57 22.867 11.055 -22.970 1.00 0.00 C ATOM 789 C VAL A 57 23.759 10.811 -24.185 1.00 0.00 C ATOM 790 O VAL A 57 23.278 10.481 -25.269 1.00 0.00 O ATOM 791 CB VAL A 57 21.415 10.678 -23.318 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.979 11.358 -24.606 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.261 9.169 -23.419 1.00 0.00 C ATOM 0 H VAL A 57 22.811 13.132 -23.248 1.00 0.00 H new ATOM 0 HA VAL A 57 23.216 10.427 -22.151 1.00 0.00 H new ATOM 0 HB VAL A 57 20.767 11.029 -22.515 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.950 11.079 -24.835 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.044 12.439 -24.486 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.630 11.044 -25.422 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.228 8.924 -23.666 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.920 8.787 -24.199 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.524 8.712 -22.465 1.00 0.00 H new ATOM 803 N LEU A 58 25.065 10.964 -23.993 1.00 0.00 N ATOM 804 CA LEU A 58 26.024 10.748 -25.073 1.00 0.00 C ATOM 805 C LEU A 58 27.011 9.646 -24.703 1.00 0.00 C ATOM 806 O LEU A 58 27.045 9.187 -23.560 1.00 0.00 O ATOM 807 CB LEU A 58 26.786 12.038 -25.397 1.00 0.00 C ATOM 808 CG LEU A 58 26.203 13.322 -24.802 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.327 13.319 -23.289 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.900 14.541 -25.387 1.00 0.00 C ATOM 0 H LEU A 58 25.484 11.236 -23.103 1.00 0.00 H new ATOM 0 HA LEU A 58 25.465 10.442 -25.957 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.812 11.930 -25.045 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.830 12.149 -26.480 1.00 0.00 H new ATOM 0 HG LEU A 58 25.145 13.367 -25.059 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.906 14.241 -22.888 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.786 12.465 -22.881 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.378 13.248 -23.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.474 15.446 -24.954 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.965 14.496 -25.159 1.00 0.00 H new ATOM 0 HD23 LEU A 58 26.761 14.556 -26.468 1.00 0.00 H new ATOM 822 N PRO A 59 27.828 9.205 -25.670 1.00 0.00 N ATOM 823 CA PRO A 59 27.808 9.734 -27.037 1.00 0.00 C ATOM 824 C PRO A 59 26.511 9.398 -27.766 1.00 0.00 C ATOM 825 O PRO A 59 26.157 8.228 -27.910 1.00 0.00 O ATOM 826 CB PRO A 59 28.995 9.038 -27.720 1.00 0.00 C ATOM 827 CG PRO A 59 29.808 8.459 -26.610 1.00 0.00 C ATOM 828 CD PRO A 59 28.841 8.155 -25.506 1.00 0.00 C ATOM 0 HA PRO A 59 27.875 10.822 -27.047 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.654 8.261 -28.404 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.580 9.745 -28.308 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.326 7.556 -26.935 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.572 9.162 -26.277 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.412 7.158 -25.606 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.317 8.200 -24.526 1.00 0.00 H new ATOM 836 N PHE A 60 25.807 10.426 -28.227 1.00 0.00 N ATOM 837 CA PHE A 60 24.551 10.226 -28.943 1.00 0.00 C ATOM 838 C PHE A 60 24.722 10.526 -30.428 1.00 0.00 C ATOM 839 O PHE A 60 25.836 10.739 -30.905 1.00 0.00 O ATOM 840 CB PHE A 60 23.455 11.115 -28.353 1.00 0.00 C ATOM 841 CG PHE A 60 23.860 12.555 -28.221 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.272 13.278 -29.330 1.00 0.00 C ATOM 843 CD2 PHE A 60 23.834 13.185 -26.988 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.649 14.600 -29.210 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.208 14.507 -26.863 1.00 0.00 C ATOM 846 CZ PHE A 60 24.618 15.214 -27.975 1.00 0.00 C ATOM 0 H PHE A 60 26.082 11.402 -28.119 1.00 0.00 H new ATOM 0 HA PHE A 60 24.259 9.182 -28.831 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.568 11.051 -28.983 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.177 10.732 -27.371 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.298 12.801 -30.299 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.517 12.635 -26.114 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.968 15.153 -30.081 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.180 14.988 -25.896 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.915 16.248 -27.878 1.00 0.00 H new ATOM 856 N THR A 61 23.608 10.547 -31.152 1.00 0.00 N ATOM 857 CA THR A 61 23.629 10.829 -32.582 1.00 0.00 C ATOM 858 C THR A 61 22.639 11.934 -32.930 1.00 0.00 C ATOM 859 O THR A 61 21.502 11.933 -32.457 1.00 0.00 O ATOM 860 CB THR A 61 23.293 9.576 -33.410 1.00 0.00 C ATOM 861 OG1 THR A 61 23.497 8.398 -32.620 1.00 0.00 O ATOM 862 CG2 THR A 61 24.155 9.508 -34.662 1.00 0.00 C ATOM 0 H THR A 61 22.678 10.372 -30.771 1.00 0.00 H new ATOM 0 HA THR A 61 24.640 11.153 -32.828 1.00 0.00 H new ATOM 0 HB THR A 61 22.247 9.635 -33.711 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.280 7.605 -33.153 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.900 8.614 -35.231 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.977 10.392 -35.275 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.207 9.469 -34.378 1.00 0.00 H new ATOM 870 N TYR A 62 23.075 12.878 -33.758 1.00 0.00 N ATOM 871 CA TYR A 62 22.221 13.988 -34.161 1.00 0.00 C ATOM 872 C TYR A 62 22.598 14.495 -35.548 1.00 0.00 C ATOM 873 O TYR A 62 23.765 14.773 -35.824 1.00 0.00 O ATOM 874 CB TYR A 62 22.317 15.128 -33.144 1.00 0.00 C ATOM 875 CG TYR A 62 21.895 16.472 -33.695 1.00 0.00 C ATOM 876 CD1 TYR A 62 20.591 16.691 -34.123 1.00 0.00 C ATOM 877 CD2 TYR A 62 22.801 17.520 -33.791 1.00 0.00 C ATOM 878 CE1 TYR A 62 20.203 17.916 -34.630 1.00 0.00 C ATOM 879 CE2 TYR A 62 22.420 18.749 -34.296 1.00 0.00 C ATOM 880 CZ TYR A 62 21.121 18.942 -34.714 1.00 0.00 C ATOM 881 OH TYR A 62 20.737 20.163 -35.218 1.00 0.00 O ATOM 0 H TYR A 62 24.012 12.896 -34.161 1.00 0.00 H new ATOM 0 HA TYR A 62 21.193 13.626 -34.196 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.695 14.887 -32.282 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.344 15.198 -32.786 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.869 15.890 -34.058 1.00 0.00 H new ATOM 0 HD2 TYR A 62 23.820 17.372 -33.466 1.00 0.00 H new ATOM 0 HE1 TYR A 62 19.186 18.070 -34.959 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.137 19.554 -34.363 1.00 0.00 H new ATOM 0 HH TYR A 62 21.529 20.723 -35.358 1.00 0.00 H new ATOM 891 N ASN A 63 21.598 14.620 -36.415 1.00 0.00 N ATOM 892 CA ASN A 63 21.818 15.103 -37.772 1.00 0.00 C ATOM 893 C ASN A 63 22.577 14.079 -38.610 1.00 0.00 C ATOM 894 O ASN A 63 22.920 14.341 -39.762 1.00 0.00 O ATOM 895 CB ASN A 63 22.586 16.424 -37.743 1.00 0.00 C ATOM 896 CG ASN A 63 22.055 17.423 -38.752 1.00 0.00 C ATOM 897 OD1 ASN A 63 21.646 17.052 -39.852 1.00 0.00 O ATOM 898 ND2 ASN A 63 22.060 18.697 -38.381 1.00 0.00 N ATOM 0 H ASN A 63 20.627 14.393 -36.201 1.00 0.00 H new ATOM 0 HA ASN A 63 20.843 15.262 -38.232 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.526 16.854 -36.743 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.640 16.233 -37.945 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.715 19.415 -39.018 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.409 18.958 -37.459 1.00 0.00 H new ATOM 905 N GLY A 64 22.834 12.912 -38.029 1.00 0.00 N ATOM 906 CA GLY A 64 23.547 11.872 -38.747 1.00 0.00 C ATOM 907 C GLY A 64 24.946 11.643 -38.209 1.00 0.00 C ATOM 908 O GLY A 64 25.567 10.621 -38.502 1.00 0.00 O ATOM 0 H GLY A 64 22.562 12.668 -37.077 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.982 10.942 -38.686 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.607 12.140 -39.802 1.00 0.00 H new ATOM 912 N ARG A 65 25.444 12.587 -37.419 1.00 0.00 N ATOM 913 CA ARG A 65 26.777 12.467 -36.841 1.00 0.00 C ATOM 914 C ARG A 65 26.695 12.022 -35.386 1.00 0.00 C ATOM 915 O ARG A 65 25.642 11.582 -34.923 1.00 0.00 O ATOM 916 CB ARG A 65 27.537 13.793 -36.948 1.00 0.00 C ATOM 917 CG ARG A 65 26.928 14.917 -36.129 1.00 0.00 C ATOM 918 CD ARG A 65 26.805 16.198 -36.938 1.00 0.00 C ATOM 919 NE ARG A 65 26.405 15.935 -38.314 1.00 0.00 N ATOM 920 CZ ARG A 65 26.500 16.829 -39.293 1.00 0.00 C ATOM 921 NH1 ARG A 65 26.989 18.036 -39.047 1.00 0.00 N ATOM 922 NH2 ARG A 65 26.107 16.514 -40.521 1.00 0.00 N ATOM 0 H ARG A 65 24.947 13.441 -37.165 1.00 0.00 H new ATOM 0 HA ARG A 65 27.322 11.710 -37.405 1.00 0.00 H new ATOM 0 HB2 ARG A 65 28.567 13.638 -36.625 1.00 0.00 H new ATOM 0 HB3 ARG A 65 27.573 14.097 -37.994 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.943 14.615 -35.773 1.00 0.00 H new ATOM 0 HG3 ARG A 65 27.543 15.100 -35.248 1.00 0.00 H new ATOM 0 HD2 ARG A 65 26.075 16.856 -36.467 1.00 0.00 H new ATOM 0 HD3 ARG A 65 27.759 16.725 -36.932 1.00 0.00 H new ATOM 0 HE ARG A 65 26.031 15.013 -38.539 1.00 0.00 H new ATOM 0 HH11 ARG A 65 27.293 18.281 -38.105 1.00 0.00 H new ATOM 0 HH12 ARG A 65 27.061 18.720 -39.800 1.00 0.00 H new ATOM 0 HH21 ARG A 65 25.732 15.585 -40.714 1.00 0.00 H new ATOM 0 HH22 ARG A 65 26.180 17.201 -41.272 1.00 0.00 H new ATOM 936 N THR A 66 27.809 12.128 -34.668 1.00 0.00 N ATOM 937 CA THR A 66 27.850 11.720 -33.267 1.00 0.00 C ATOM 938 C THR A 66 28.637 12.709 -32.412 1.00 0.00 C ATOM 939 O THR A 66 29.527 13.401 -32.904 1.00 0.00 O ATOM 940 CB THR A 66 28.477 10.321 -33.116 1.00 0.00 C ATOM 941 OG1 THR A 66 28.129 9.502 -34.239 1.00 0.00 O ATOM 942 CG2 THR A 66 28.012 9.653 -31.831 1.00 0.00 C ATOM 0 H THR A 66 28.691 12.491 -35.030 1.00 0.00 H new ATOM 0 HA THR A 66 26.817 11.698 -32.919 1.00 0.00 H new ATOM 0 HB THR A 66 29.560 10.437 -33.074 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.533 8.615 -34.135 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.469 8.667 -31.748 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.307 10.263 -30.977 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.927 9.550 -31.846 1.00 0.00 H new ATOM 950 N PHE A 67 28.304 12.762 -31.124 1.00 0.00 N ATOM 951 CA PHE A 67 28.982 13.658 -30.191 1.00 0.00 C ATOM 952 C PHE A 67 29.114 13.013 -28.813 1.00 0.00 C ATOM 953 O PHE A 67 28.133 12.521 -28.251 1.00 0.00 O ATOM 954 CB PHE A 67 28.223 14.982 -30.061 1.00 0.00 C ATOM 955 CG PHE A 67 27.597 15.460 -31.339 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.480 14.827 -31.860 1.00 0.00 C ATOM 957 CD2 PHE A 67 28.120 16.551 -32.015 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.897 15.272 -33.031 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.541 17.001 -33.185 1.00 0.00 C ATOM 960 CZ PHE A 67 26.429 16.362 -33.694 1.00 0.00 C ATOM 0 H PHE A 67 27.568 12.195 -30.703 1.00 0.00 H new ATOM 0 HA PHE A 67 29.978 13.853 -30.588 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.443 14.869 -29.308 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.909 15.747 -29.697 1.00 0.00 H new ATOM 0 HD1 PHE A 67 26.060 13.976 -31.345 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.991 17.055 -31.622 1.00 0.00 H new ATOM 0 HE1 PHE A 67 25.027 14.769 -33.428 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.958 17.853 -33.701 1.00 0.00 H new ATOM 0 HZ PHE A 67 25.975 16.713 -34.609 1.00 0.00 H new ATOM 970 N TYR A 68 30.329 13.024 -28.270 1.00 0.00 N ATOM 971 CA TYR A 68 30.586 12.448 -26.954 1.00 0.00 C ATOM 972 C TYR A 68 30.486 13.519 -25.875 1.00 0.00 C ATOM 973 O TYR A 68 30.955 13.332 -24.753 1.00 0.00 O ATOM 974 CB TYR A 68 31.972 11.803 -26.919 1.00 0.00 C ATOM 975 CG TYR A 68 32.101 10.577 -27.797 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.700 10.603 -29.127 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.631 9.397 -27.294 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.822 9.485 -29.930 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.758 8.277 -28.091 1.00 0.00 C ATOM 980 CZ TYR A 68 32.352 8.324 -29.407 1.00 0.00 C ATOM 981 OH TYR A 68 32.476 7.208 -30.203 1.00 0.00 O ATOM 0 H TYR A 68 31.151 13.426 -28.722 1.00 0.00 H new ATOM 0 HA TYR A 68 29.834 11.683 -26.761 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.713 12.540 -27.230 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.208 11.528 -25.891 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.286 11.511 -29.540 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.949 9.354 -26.263 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.504 9.520 -30.962 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.174 7.367 -27.685 1.00 0.00 H new ATOM 0 HH TYR A 68 32.582 7.483 -31.138 1.00 0.00 H new ATOM 991 N SER A 69 29.870 14.643 -26.227 1.00 0.00 N ATOM 992 CA SER A 69 29.702 15.756 -25.301 1.00 0.00 C ATOM 993 C SER A 69 28.798 16.822 -25.910 1.00 0.00 C ATOM 994 O SER A 69 28.328 16.677 -27.039 1.00 0.00 O ATOM 995 CB SER A 69 31.060 16.365 -24.945 1.00 0.00 C ATOM 996 OG SER A 69 31.896 15.416 -24.307 1.00 0.00 O ATOM 0 H SER A 69 29.477 14.807 -27.154 1.00 0.00 H new ATOM 0 HA SER A 69 29.237 15.377 -24.391 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.546 16.731 -25.850 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.916 17.225 -24.290 1.00 0.00 H new ATOM 0 HG SER A 69 31.360 14.646 -24.023 1.00 0.00 H new ATOM 1002 N CYS A 70 28.558 17.893 -25.162 1.00 0.00 N ATOM 1003 CA CYS A 70 27.715 18.977 -25.638 1.00 0.00 C ATOM 1004 C CYS A 70 28.120 19.395 -27.047 1.00 0.00 C ATOM 1005 O CYS A 70 29.154 18.965 -27.557 1.00 0.00 O ATOM 1006 CB CYS A 70 27.808 20.168 -24.688 1.00 0.00 C ATOM 1007 SG CYS A 70 27.383 19.773 -22.961 1.00 0.00 S ATOM 0 H CYS A 70 28.936 18.031 -24.225 1.00 0.00 H new ATOM 0 HA CYS A 70 26.684 18.626 -25.667 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.822 20.567 -24.720 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.144 20.956 -25.044 1.00 0.00 H new ATOM 1012 N THR A 71 27.302 20.234 -27.672 1.00 0.00 N ATOM 1013 CA THR A 71 27.583 20.703 -29.022 1.00 0.00 C ATOM 1014 C THR A 71 26.628 21.817 -29.429 1.00 0.00 C ATOM 1015 O THR A 71 25.539 21.952 -28.872 1.00 0.00 O ATOM 1016 CB THR A 71 27.478 19.559 -30.047 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.984 19.989 -31.317 1.00 0.00 O ATOM 1018 CG2 THR A 71 26.036 19.099 -30.200 1.00 0.00 C ATOM 0 H THR A 71 26.442 20.602 -27.266 1.00 0.00 H new ATOM 0 HA THR A 71 28.603 21.086 -29.015 1.00 0.00 H new ATOM 0 HB THR A 71 28.074 18.721 -29.684 1.00 0.00 H new ATOM 0 HG1 THR A 71 28.003 19.229 -31.936 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.987 18.290 -30.929 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.663 18.744 -29.239 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.422 19.933 -30.541 1.00 0.00 H new ATOM 1026 N THR A 72 27.045 22.609 -30.408 1.00 0.00 N ATOM 1027 CA THR A 72 26.230 23.709 -30.900 1.00 0.00 C ATOM 1028 C THR A 72 25.976 23.561 -32.398 1.00 0.00 C ATOM 1029 O THR A 72 26.459 24.357 -33.203 1.00 0.00 O ATOM 1030 CB THR A 72 26.905 25.068 -30.628 1.00 0.00 C ATOM 1031 OG1 THR A 72 28.311 24.885 -30.423 1.00 0.00 O ATOM 1032 CG2 THR A 72 26.296 25.739 -29.404 1.00 0.00 C ATOM 0 H THR A 72 27.945 22.509 -30.877 1.00 0.00 H new ATOM 0 HA THR A 72 25.280 23.676 -30.367 1.00 0.00 H new ATOM 0 HB THR A 72 26.743 25.708 -31.495 1.00 0.00 H new ATOM 0 HG1 THR A 72 28.732 25.753 -30.253 1.00 0.00 H new ATOM 0 HG21 THR A 72 26.788 26.696 -29.231 1.00 0.00 H new ATOM 0 HG22 THR A 72 25.231 25.903 -29.571 1.00 0.00 H new ATOM 0 HG23 THR A 72 26.432 25.099 -28.532 1.00 0.00 H new ATOM 1040 N GLU A 73 25.224 22.523 -32.765 1.00 0.00 N ATOM 1041 CA GLU A 73 24.912 22.254 -34.167 1.00 0.00 C ATOM 1042 C GLU A 73 23.408 22.276 -34.412 1.00 0.00 C ATOM 1043 O GLU A 73 22.923 21.768 -35.424 1.00 0.00 O ATOM 1044 CB GLU A 73 25.470 20.893 -34.573 1.00 0.00 C ATOM 1045 CG GLU A 73 26.883 20.951 -35.130 1.00 0.00 C ATOM 1046 CD GLU A 73 26.913 21.274 -36.611 1.00 0.00 C ATOM 1047 OE1 GLU A 73 26.703 22.453 -36.966 1.00 0.00 O ATOM 1048 OE2 GLU A 73 27.144 20.348 -37.416 1.00 0.00 O ATOM 0 H GLU A 73 24.820 21.855 -32.109 1.00 0.00 H new ATOM 0 HA GLU A 73 25.373 23.037 -34.769 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.458 20.232 -33.706 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.813 20.449 -35.321 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.453 21.704 -34.586 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.376 19.994 -34.961 1.00 0.00 H new ATOM 1055 N GLY A 74 22.681 22.866 -33.481 1.00 0.00 N ATOM 1056 CA GLY A 74 21.239 22.949 -33.598 1.00 0.00 C ATOM 1057 C GLY A 74 20.601 23.583 -32.380 1.00 0.00 C ATOM 1058 O GLY A 74 19.948 22.907 -31.587 1.00 0.00 O ATOM 0 H GLY A 74 23.065 23.293 -32.638 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.981 23.529 -34.484 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.830 21.949 -33.741 1.00 0.00 H new ATOM 1122 N HIS A 79 24.363 28.132 -27.854 1.00 0.00 N ATOM 1123 CA HIS A 79 24.893 27.666 -26.578 1.00 0.00 C ATOM 1124 C HIS A 79 25.049 26.150 -26.575 1.00 0.00 C ATOM 1125 O HIS A 79 24.127 25.422 -26.942 1.00 0.00 O ATOM 1126 CB HIS A 79 23.971 28.095 -25.436 1.00 0.00 C ATOM 1127 CG HIS A 79 23.556 29.533 -25.507 1.00 0.00 C ATOM 1128 ND1 HIS A 79 24.407 30.544 -25.903 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.371 30.128 -25.231 1.00 0.00 C ATOM 1130 CE1 HIS A 79 23.764 31.697 -25.867 1.00 0.00 C ATOM 1131 NE2 HIS A 79 22.528 31.471 -25.463 1.00 0.00 N ATOM 0 HA HIS A 79 25.876 28.115 -26.434 1.00 0.00 H new ATOM 0 HB2 HIS A 79 23.080 27.468 -25.445 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.476 27.918 -24.486 1.00 0.00 H new ATOM 0 HD2 HIS A 79 21.471 29.637 -24.892 1.00 0.00 H new ATOM 0 HE1 HIS A 79 24.179 32.660 -26.124 1.00 0.00 H new ATOM 0 HE2 HIS A 79 21.806 32.181 -25.343 1.00 0.00 H new ATOM 1140 N LEU A 80 26.216 25.676 -26.151 1.00 0.00 N ATOM 1141 CA LEU A 80 26.481 24.247 -26.096 1.00 0.00 C ATOM 1142 C LEU A 80 25.294 23.512 -25.485 1.00 0.00 C ATOM 1143 O LEU A 80 24.959 23.717 -24.319 1.00 0.00 O ATOM 1144 CB LEU A 80 27.742 23.973 -25.275 1.00 0.00 C ATOM 1145 CG LEU A 80 29.058 24.102 -26.045 1.00 0.00 C ATOM 1146 CD1 LEU A 80 29.160 25.469 -26.702 1.00 0.00 C ATOM 1147 CD2 LEU A 80 30.241 23.864 -25.117 1.00 0.00 C ATOM 0 H LEU A 80 26.991 26.262 -25.841 1.00 0.00 H new ATOM 0 HA LEU A 80 26.635 23.884 -27.112 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.764 24.662 -24.431 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.677 22.966 -24.863 1.00 0.00 H new ATOM 0 HG LEU A 80 29.076 23.344 -26.828 1.00 0.00 H new ATOM 0 HD11 LEU A 80 30.102 25.542 -27.245 1.00 0.00 H new ATOM 0 HD12 LEU A 80 28.330 25.602 -27.396 1.00 0.00 H new ATOM 0 HD13 LEU A 80 29.121 26.244 -25.937 1.00 0.00 H new ATOM 0 HD21 LEU A 80 31.170 23.959 -25.680 1.00 0.00 H new ATOM 0 HD22 LEU A 80 30.227 24.600 -24.313 1.00 0.00 H new ATOM 0 HD23 LEU A 80 30.175 22.862 -24.693 1.00 0.00 H new ATOM 1159 N TRP A 81 24.656 22.663 -26.279 1.00 0.00 N ATOM 1160 CA TRP A 81 23.500 21.909 -25.811 1.00 0.00 C ATOM 1161 C TRP A 81 23.773 20.409 -25.832 1.00 0.00 C ATOM 1162 O TRP A 81 24.671 19.938 -26.529 1.00 0.00 O ATOM 1163 CB TRP A 81 22.282 22.224 -26.678 1.00 0.00 C ATOM 1164 CG TRP A 81 22.471 21.838 -28.111 1.00 0.00 C ATOM 1165 CD1 TRP A 81 22.843 22.657 -29.138 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.303 20.533 -28.677 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.917 21.940 -30.305 1.00 0.00 N ATOM 1168 CE2 TRP A 81 22.589 20.635 -30.051 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.939 19.288 -28.155 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 22.524 19.541 -30.908 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.875 18.202 -29.009 1.00 0.00 C ATOM 1172 CH2 TRP A 81 22.166 18.335 -30.372 1.00 0.00 C ATOM 0 H TRP A 81 24.918 22.479 -27.247 1.00 0.00 H new ATOM 0 HA TRP A 81 23.300 22.206 -24.781 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.413 21.702 -26.278 1.00 0.00 H new ATOM 0 HB3 TRP A 81 22.067 23.291 -26.620 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.049 23.713 -29.045 1.00 0.00 H new ATOM 0 HE1 TRP A 81 23.175 22.318 -31.216 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.712 19.177 -27.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 22.748 19.641 -31.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.596 17.235 -28.618 1.00 0.00 H new ATOM 0 HH2 TRP A 81 22.107 17.468 -31.013 1.00 0.00 H new ATOM 1183 N CYS A 82 22.982 19.667 -25.066 1.00 0.00 N ATOM 1184 CA CYS A 82 23.120 18.219 -24.991 1.00 0.00 C ATOM 1185 C CYS A 82 21.759 17.568 -24.766 1.00 0.00 C ATOM 1186 O CYS A 82 20.813 18.226 -24.340 1.00 0.00 O ATOM 1187 CB CYS A 82 24.084 17.834 -23.867 1.00 0.00 C ATOM 1188 SG CYS A 82 23.303 17.691 -22.228 1.00 0.00 S ATOM 0 H CYS A 82 22.235 20.048 -24.485 1.00 0.00 H new ATOM 0 HA CYS A 82 23.526 17.860 -25.936 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.554 16.883 -24.117 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.879 18.578 -23.814 1.00 0.00 H new ATOM 1193 N SER A 83 21.666 16.276 -25.059 1.00 0.00 N ATOM 1194 CA SER A 83 20.415 15.548 -24.894 1.00 0.00 C ATOM 1195 C SER A 83 20.403 14.764 -23.587 1.00 0.00 C ATOM 1196 O SER A 83 21.327 14.008 -23.301 1.00 0.00 O ATOM 1197 CB SER A 83 20.205 14.597 -26.070 1.00 0.00 C ATOM 1198 OG SER A 83 21.230 13.622 -26.127 1.00 0.00 O ATOM 0 H SER A 83 22.440 15.713 -25.411 1.00 0.00 H new ATOM 0 HA SER A 83 19.603 16.274 -24.864 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.237 14.106 -25.976 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.186 15.164 -27.001 1.00 0.00 H new ATOM 0 HG SER A 83 22.013 13.996 -26.583 1.00 0.00 H new ATOM 1204 N THR A 84 19.349 14.945 -22.800 1.00 0.00 N ATOM 1205 CA THR A 84 19.220 14.248 -21.525 1.00 0.00 C ATOM 1206 C THR A 84 18.617 12.859 -21.713 1.00 0.00 C ATOM 1207 O THR A 84 18.340 12.156 -20.742 1.00 0.00 O ATOM 1208 CB THR A 84 18.353 15.042 -20.531 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.964 14.802 -20.789 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.641 16.533 -20.631 1.00 0.00 C ATOM 0 H THR A 84 18.572 15.568 -23.021 1.00 0.00 H new ATOM 0 HA THR A 84 20.227 14.152 -21.118 1.00 0.00 H new ATOM 0 HB THR A 84 18.598 14.707 -19.523 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.420 15.310 -20.151 1.00 0.00 H new ATOM 0 HG21 THR A 84 18.016 17.073 -19.919 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.691 16.717 -20.404 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.422 16.879 -21.641 1.00 0.00 H new ATOM 1218 N THR A 85 18.420 12.466 -22.969 1.00 0.00 N ATOM 1219 CA THR A 85 17.855 11.157 -23.280 1.00 0.00 C ATOM 1220 C THR A 85 18.180 10.752 -24.719 1.00 0.00 C ATOM 1221 O THR A 85 18.048 11.551 -25.646 1.00 0.00 O ATOM 1222 CB THR A 85 16.320 11.141 -23.038 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.034 10.475 -21.802 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.558 10.449 -24.167 1.00 0.00 C ATOM 0 H THR A 85 18.643 13.034 -23.786 1.00 0.00 H new ATOM 0 HA THR A 85 18.310 10.428 -22.610 1.00 0.00 H new ATOM 0 HB THR A 85 15.989 12.179 -23.001 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.643 10.800 -21.107 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.490 10.465 -23.949 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.744 10.971 -25.105 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.895 9.416 -24.254 1.00 0.00 H new ATOM 1232 N SER A 86 18.604 9.503 -24.893 1.00 0.00 N ATOM 1233 CA SER A 86 18.950 8.987 -26.214 1.00 0.00 C ATOM 1234 C SER A 86 17.963 9.480 -27.268 1.00 0.00 C ATOM 1235 O SER A 86 18.362 10.012 -28.304 1.00 0.00 O ATOM 1236 CB SER A 86 18.974 7.457 -26.199 1.00 0.00 C ATOM 1237 OG SER A 86 18.244 6.923 -27.289 1.00 0.00 O ATOM 0 H SER A 86 18.716 8.829 -24.135 1.00 0.00 H new ATOM 0 HA SER A 86 19.943 9.357 -26.470 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.005 7.106 -26.242 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.552 7.093 -25.262 1.00 0.00 H new ATOM 0 HG SER A 86 18.277 5.944 -27.257 1.00 0.00 H new ATOM 1243 N ASN A 87 16.676 9.295 -26.998 1.00 0.00 N ATOM 1244 CA ASN A 87 15.633 9.717 -27.925 1.00 0.00 C ATOM 1245 C ASN A 87 15.444 11.229 -27.893 1.00 0.00 C ATOM 1246 O ASN A 87 14.496 11.732 -27.291 1.00 0.00 O ATOM 1247 CB ASN A 87 14.313 9.023 -27.589 1.00 0.00 C ATOM 1248 CG ASN A 87 13.771 8.216 -28.752 1.00 0.00 C ATOM 1249 OD1 ASN A 87 13.262 7.111 -28.572 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.880 8.770 -29.955 1.00 0.00 N ATOM 0 H ASN A 87 16.330 8.856 -26.145 1.00 0.00 H new ATOM 0 HA ASN A 87 15.945 9.432 -28.930 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.459 8.366 -26.732 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.577 9.771 -27.295 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.534 8.276 -30.777 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.310 9.689 -30.056 1.00 0.00 H new ATOM 1257 N TYR A 88 16.346 11.949 -28.552 1.00 0.00 N ATOM 1258 CA TYR A 88 16.267 13.403 -28.603 1.00 0.00 C ATOM 1259 C TYR A 88 15.285 13.841 -29.680 1.00 0.00 C ATOM 1260 O TYR A 88 14.546 14.811 -29.506 1.00 0.00 O ATOM 1261 CB TYR A 88 17.644 14.005 -28.884 1.00 0.00 C ATOM 1262 CG TYR A 88 17.591 15.456 -29.304 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.474 16.468 -28.361 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.652 15.811 -30.645 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.421 17.795 -28.742 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.601 17.136 -31.035 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.485 18.124 -30.080 1.00 0.00 C ATOM 1268 OH TYR A 88 17.434 19.444 -30.464 1.00 0.00 O ATOM 0 H TYR A 88 17.138 11.550 -29.057 1.00 0.00 H new ATOM 0 HA TYR A 88 15.917 13.761 -27.635 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.261 13.916 -27.990 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.133 13.425 -29.667 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.424 16.214 -27.313 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.741 15.039 -31.395 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.330 18.571 -27.996 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.652 17.396 -32.082 1.00 0.00 H new ATOM 0 HH TYR A 88 17.492 19.503 -31.440 1.00 0.00 H new ATOM 1278 N GLU A 89 15.282 13.117 -30.793 1.00 0.00 N ATOM 1279 CA GLU A 89 14.390 13.424 -31.901 1.00 0.00 C ATOM 1280 C GLU A 89 12.939 13.156 -31.516 1.00 0.00 C ATOM 1281 O GLU A 89 12.015 13.563 -32.220 1.00 0.00 O ATOM 1282 CB GLU A 89 14.767 12.594 -33.130 1.00 0.00 C ATOM 1283 CG GLU A 89 16.219 12.753 -33.548 1.00 0.00 C ATOM 1284 CD GLU A 89 16.554 11.967 -34.801 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.164 12.410 -35.901 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.204 10.908 -34.681 1.00 0.00 O ATOM 0 H GLU A 89 15.889 12.312 -30.951 1.00 0.00 H new ATOM 0 HA GLU A 89 14.495 14.482 -32.141 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.570 11.542 -32.922 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.124 12.880 -33.963 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.431 13.809 -33.718 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.866 12.425 -32.734 1.00 0.00 H new ATOM 1293 N GLN A 90 12.747 12.471 -30.393 1.00 0.00 N ATOM 1294 CA GLN A 90 11.408 12.150 -29.914 1.00 0.00 C ATOM 1295 C GLN A 90 10.951 13.157 -28.866 1.00 0.00 C ATOM 1296 O GLN A 90 9.871 13.738 -28.974 1.00 0.00 O ATOM 1297 CB GLN A 90 11.376 10.736 -29.331 1.00 0.00 C ATOM 1298 CG GLN A 90 10.215 10.493 -28.379 1.00 0.00 C ATOM 1299 CD GLN A 90 8.880 10.419 -29.096 1.00 0.00 C ATOM 1300 OE1 GLN A 90 8.599 9.455 -29.807 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.052 11.440 -28.911 1.00 0.00 N ATOM 0 H GLN A 90 13.501 12.128 -29.798 1.00 0.00 H new ATOM 0 HA GLN A 90 10.724 12.199 -30.761 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.321 10.017 -30.148 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.312 10.549 -28.804 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.384 9.563 -27.836 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.182 11.293 -27.639 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.328 12.218 -28.312 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.140 11.446 -29.368 1.00 0.00 H new ATOM 1310 N ASP A 91 11.782 13.356 -27.852 1.00 0.00 N ATOM 1311 CA ASP A 91 11.471 14.291 -26.779 1.00 0.00 C ATOM 1312 C ASP A 91 12.079 15.661 -27.058 1.00 0.00 C ATOM 1313 O ASP A 91 11.447 16.691 -26.829 1.00 0.00 O ATOM 1314 CB ASP A 91 11.991 13.754 -25.444 1.00 0.00 C ATOM 1315 CG ASP A 91 11.376 14.465 -24.255 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.052 15.664 -24.384 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.221 13.823 -23.195 1.00 0.00 O ATOM 0 H ASP A 91 12.679 12.881 -27.750 1.00 0.00 H new ATOM 0 HA ASP A 91 10.388 14.398 -26.726 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.777 12.687 -25.376 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.075 13.864 -25.409 1.00 0.00 H new ATOM 1322 N GLN A 92 13.314 15.660 -27.550 1.00 0.00 N ATOM 1323 CA GLN A 92 14.021 16.900 -27.860 1.00 0.00 C ATOM 1324 C GLN A 92 14.640 17.507 -26.604 1.00 0.00 C ATOM 1325 O GLN A 92 15.432 18.446 -26.684 1.00 0.00 O ATOM 1326 CB GLN A 92 13.072 17.908 -28.514 1.00 0.00 C ATOM 1327 CG GLN A 92 12.230 17.314 -29.631 1.00 0.00 C ATOM 1328 CD GLN A 92 12.951 17.306 -30.964 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.513 16.290 -31.373 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.940 18.443 -31.651 1.00 0.00 N ATOM 0 H GLN A 92 13.848 14.813 -27.743 1.00 0.00 H new ATOM 0 HA GLN A 92 14.823 16.662 -28.559 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.411 18.320 -27.751 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.655 18.738 -28.912 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.951 16.294 -29.367 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.305 17.883 -29.726 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.462 19.262 -31.275 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.410 18.497 -32.555 1.00 0.00 H new ATOM 1339 N LYS A 93 14.276 16.967 -25.444 1.00 0.00 N ATOM 1340 CA LYS A 93 14.798 17.459 -24.176 1.00 0.00 C ATOM 1341 C LYS A 93 16.319 17.565 -24.221 1.00 0.00 C ATOM 1342 O LYS A 93 17.023 16.563 -24.360 1.00 0.00 O ATOM 1343 CB LYS A 93 14.357 16.547 -23.025 1.00 0.00 C ATOM 1344 CG LYS A 93 15.260 15.343 -22.801 1.00 0.00 C ATOM 1345 CD LYS A 93 15.238 14.395 -23.991 1.00 0.00 C ATOM 1346 CE LYS A 93 16.643 14.020 -24.432 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.974 14.583 -25.769 1.00 0.00 N ATOM 0 H LYS A 93 13.622 16.189 -25.358 1.00 0.00 H new ATOM 0 HA LYS A 93 14.392 18.456 -24.004 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.318 17.133 -22.107 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.344 16.196 -23.223 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.281 15.681 -22.624 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.941 14.810 -21.905 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.685 13.493 -23.728 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.708 14.863 -24.821 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.363 14.382 -23.698 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.736 12.934 -24.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.463 13.862 -26.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.098 14.870 -26.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.593 15.411 -25.654 1.00 0.00 H new ATOM 1361 N TYR A 94 16.822 18.790 -24.111 1.00 0.00 N ATOM 1362 CA TYR A 94 18.259 19.030 -24.146 1.00 0.00 C ATOM 1363 C TYR A 94 18.678 20.000 -23.047 1.00 0.00 C ATOM 1364 O TYR A 94 17.856 20.747 -22.516 1.00 0.00 O ATOM 1365 CB TYR A 94 18.668 19.585 -25.512 1.00 0.00 C ATOM 1366 CG TYR A 94 18.356 21.055 -25.691 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.064 22.026 -24.994 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.353 21.469 -26.559 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.781 23.370 -25.157 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.065 22.810 -26.727 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.781 23.756 -26.025 1.00 0.00 C ATOM 1372 OH TYR A 94 17.497 25.092 -26.191 1.00 0.00 O ATOM 0 H TYR A 94 16.256 19.631 -23.997 1.00 0.00 H new ATOM 0 HA TYR A 94 18.765 18.079 -23.978 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.738 19.430 -25.651 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.160 19.017 -26.292 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.848 21.727 -24.314 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.790 20.731 -27.111 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.340 24.113 -24.608 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.282 23.116 -27.405 1.00 0.00 H new ATOM 0 HH TYR A 94 18.285 25.625 -25.958 1.00 0.00 H new ATOM 1382 N SER A 95 19.964 19.987 -22.715 1.00 0.00 N ATOM 1383 CA SER A 95 20.496 20.867 -21.684 1.00 0.00 C ATOM 1384 C SER A 95 21.726 21.609 -22.193 1.00 0.00 C ATOM 1385 O SER A 95 22.617 21.014 -22.799 1.00 0.00 O ATOM 1386 CB SER A 95 20.851 20.069 -20.429 1.00 0.00 C ATOM 1387 OG SER A 95 20.564 18.692 -20.599 1.00 0.00 O ATOM 0 H SER A 95 20.657 19.376 -23.146 1.00 0.00 H new ATOM 0 HA SER A 95 19.727 21.597 -21.431 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.909 20.197 -20.201 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.292 20.457 -19.578 1.00 0.00 H new ATOM 0 HG SER A 95 20.561 18.248 -19.725 1.00 0.00 H new ATOM 1393 N PHE A 96 21.770 22.912 -21.942 1.00 0.00 N ATOM 1394 CA PHE A 96 22.891 23.734 -22.377 1.00 0.00 C ATOM 1395 C PHE A 96 24.158 23.374 -21.611 1.00 0.00 C ATOM 1396 O PHE A 96 24.145 22.496 -20.748 1.00 0.00 O ATOM 1397 CB PHE A 96 22.571 25.217 -22.190 1.00 0.00 C ATOM 1398 CG PHE A 96 21.753 25.797 -23.308 1.00 0.00 C ATOM 1399 CD1 PHE A 96 22.027 25.467 -24.626 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.711 26.670 -23.042 1.00 0.00 C ATOM 1401 CE1 PHE A 96 21.277 25.998 -25.657 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.957 27.204 -24.070 1.00 0.00 C ATOM 1403 CZ PHE A 96 20.241 26.867 -25.379 1.00 0.00 C ATOM 0 H PHE A 96 21.043 23.421 -21.440 1.00 0.00 H new ATOM 0 HA PHE A 96 23.060 23.540 -23.436 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.034 25.349 -21.251 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.504 25.774 -22.105 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.836 24.787 -24.849 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.485 26.936 -22.020 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.501 25.734 -26.680 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.147 27.884 -23.850 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.653 27.283 -26.184 1.00 0.00 H new ATOM 1413 N CYS A 97 25.251 24.056 -21.932 1.00 0.00 N ATOM 1414 CA CYS A 97 26.526 23.805 -21.274 1.00 0.00 C ATOM 1415 C CYS A 97 27.425 25.034 -21.330 1.00 0.00 C ATOM 1416 O CYS A 97 27.526 25.696 -22.363 1.00 0.00 O ATOM 1417 CB CYS A 97 27.234 22.616 -21.924 1.00 0.00 C ATOM 1418 SG CYS A 97 26.118 21.265 -22.419 1.00 0.00 S ATOM 0 H CYS A 97 25.279 24.786 -22.643 1.00 0.00 H new ATOM 0 HA CYS A 97 26.323 23.575 -20.228 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.776 22.966 -22.803 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.975 22.224 -21.228 1.00 0.00 H new ATOM 1423 N THR A 98 28.078 25.330 -20.212 1.00 0.00 N ATOM 1424 CA THR A 98 28.972 26.475 -20.127 1.00 0.00 C ATOM 1425 C THR A 98 30.252 26.229 -20.917 1.00 0.00 C ATOM 1426 O THR A 98 30.324 26.523 -22.111 1.00 0.00 O ATOM 1427 CB THR A 98 29.338 26.781 -18.665 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.580 25.560 -17.955 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.229 27.560 -17.978 1.00 0.00 C ATOM 0 H THR A 98 28.003 24.790 -19.350 1.00 0.00 H new ATOM 0 HA THR A 98 28.444 27.328 -20.553 1.00 0.00 H new ATOM 0 HB THR A 98 30.242 27.390 -18.662 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.814 25.763 -17.025 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.513 27.763 -16.945 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.067 28.502 -18.502 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.310 26.974 -17.993 1.00 0.00 H new