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 84 THR OG1 : rot -58:sc= -0.0283 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 50 ASN : amide:sc= -2.74! C(o=-2.7!,f=-5.5!) USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 3 HIS :FLIP no HE2:sc= 0.251 F(o=-0.71,f=0.31) USER MOD Set 3.2: A 13 SER OG : rot -7:sc= 0.0546 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -140:sc= -0.95! USER MOD Single : A 16 MET CE :methyl -158:sc= -2.3 (180deg=-4.96!) USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3! C(o=-3!,f=-3.5!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 34 ASN : amide:sc= -4.07! C(o=-4.1!,f=-6.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.26! C(o=-1.3!,f=-2!) USER MOD Single : A 46 THR OG1 : rot 110:sc= 0.631 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.6!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -131:sc= -2! USER MOD Single : A 63 ASN : amide:sc= -3.87! C(o=-3.9!,f=-3.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -172:sc= 0.00117 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.185 K(o=-0.19,f=-1.9!) USER MOD Single : A 83 SER OG : rot -176:sc= -0.553 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.68 K(o=-1.7,f=-3.3!) USER MOD Single : A 88 TYR OH : rot -67:sc= 0.866 USER MOD Single : A 90 GLN : amide:sc= -0.152 K(o=-0.15,f=-3.3!) USER MOD Single : A 92 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.8!) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0223 (180deg=-0.359) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 82:sc= 1.21 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 47.783 4.520 -39.945 1.00 0.00 N ATOM 32 CA HIS A 3 47.051 3.788 -38.920 1.00 0.00 C ATOM 33 C HIS A 3 47.341 4.360 -37.537 1.00 0.00 C ATOM 34 O HIS A 3 48.499 4.574 -37.176 1.00 0.00 O ATOM 35 CB HIS A 3 47.431 2.308 -38.960 1.00 0.00 C ATOM 36 CG HIS A 3 46.530 1.479 -39.821 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.198 1.244 -39.744 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 46.979 0.769 -40.916 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 44.872 0.405 -40.782 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 45.963 0.135 -41.474 1.00 0.00 N flip ATOM 0 HA HIS A 3 45.985 3.891 -39.121 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.454 2.214 -39.324 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.416 1.910 -37.945 1.00 0.00 H new ATOM 0 HD1 HIS A 3 44.557 1.620 -39.046 1.00 0.00 H new ATOM 0 HD2 HIS A 3 48.001 0.737 -41.263 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.883 0.028 -40.997 1.00 0.00 H new ATOM 49 N CYS A 4 46.288 4.601 -36.765 1.00 0.00 N ATOM 50 CA CYS A 4 46.446 5.146 -35.416 1.00 0.00 C ATOM 51 C CYS A 4 46.239 4.063 -34.363 1.00 0.00 C ATOM 52 O CYS A 4 45.230 3.360 -34.372 1.00 0.00 O ATOM 53 CB CYS A 4 45.473 6.304 -35.173 1.00 0.00 C ATOM 54 SG CYS A 4 44.128 6.425 -36.398 1.00 0.00 S ATOM 0 H CYS A 4 45.322 4.430 -37.044 1.00 0.00 H new ATOM 0 HA CYS A 4 47.465 5.525 -35.332 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.036 6.193 -34.181 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.033 7.239 -35.172 1.00 0.00 H new ATOM 59 N VAL A 5 47.201 3.934 -33.455 1.00 0.00 N ATOM 60 CA VAL A 5 47.124 2.935 -32.397 1.00 0.00 C ATOM 61 C VAL A 5 47.116 3.592 -31.020 1.00 0.00 C ATOM 62 O VAL A 5 48.161 3.747 -30.387 1.00 0.00 O ATOM 63 CB VAL A 5 48.300 1.944 -32.475 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.191 0.898 -31.376 1.00 0.00 C ATOM 65 CG2 VAL A 5 48.351 1.286 -33.845 1.00 0.00 C ATOM 0 H VAL A 5 48.043 4.509 -33.431 1.00 0.00 H new ATOM 0 HA VAL A 5 46.191 2.391 -32.542 1.00 0.00 H new ATOM 0 HB VAL A 5 49.228 2.496 -32.327 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.031 0.207 -31.447 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.207 1.389 -30.403 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.257 0.347 -31.489 1.00 0.00 H new ATOM 0 HG21 VAL A 5 49.188 0.589 -33.883 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.421 0.747 -34.024 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.481 2.050 -34.611 1.00 0.00 H new ATOM 75 N THR A 6 45.928 3.975 -30.565 1.00 0.00 N ATOM 76 CA THR A 6 45.777 4.618 -29.263 1.00 0.00 C ATOM 77 C THR A 6 46.739 4.027 -28.237 1.00 0.00 C ATOM 78 O THR A 6 47.686 4.686 -27.810 1.00 0.00 O ATOM 79 CB THR A 6 44.335 4.488 -28.733 1.00 0.00 C ATOM 80 OG1 THR A 6 44.351 4.263 -27.318 1.00 0.00 O ATOM 81 CG2 THR A 6 43.600 3.348 -29.422 1.00 0.00 C ATOM 0 H THR A 6 45.055 3.852 -31.078 1.00 0.00 H new ATOM 0 HA THR A 6 46.010 5.673 -29.407 1.00 0.00 H new ATOM 0 HB THR A 6 43.810 5.419 -28.949 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.431 4.183 -26.989 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.586 3.279 -29.029 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.562 3.536 -30.495 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.126 2.411 -29.236 1.00 0.00 H new ATOM 89 N ASP A 7 46.488 2.782 -27.844 1.00 0.00 N ATOM 90 CA ASP A 7 47.334 2.106 -26.865 1.00 0.00 C ATOM 91 C ASP A 7 48.084 0.940 -27.503 1.00 0.00 C ATOM 92 O ASP A 7 49.164 1.119 -28.065 1.00 0.00 O ATOM 93 CB ASP A 7 46.494 1.607 -25.688 1.00 0.00 C ATOM 94 CG ASP A 7 46.440 2.608 -24.551 1.00 0.00 C ATOM 95 OD1 ASP A 7 47.493 3.194 -24.225 1.00 0.00 O ATOM 96 OD2 ASP A 7 45.344 2.805 -23.984 1.00 0.00 O ATOM 0 H ASP A 7 45.708 2.222 -28.187 1.00 0.00 H new ATOM 0 HA ASP A 7 48.066 2.826 -26.498 1.00 0.00 H new ATOM 0 HB2 ASP A 7 45.481 1.396 -26.031 1.00 0.00 H new ATOM 0 HB3 ASP A 7 46.908 0.668 -25.322 1.00 0.00 H new ATOM 101 N SER A 8 47.505 -0.254 -27.413 1.00 0.00 N ATOM 102 CA SER A 8 48.121 -1.447 -27.984 1.00 0.00 C ATOM 103 C SER A 8 47.075 -2.518 -28.274 1.00 0.00 C ATOM 104 O SER A 8 47.399 -3.699 -28.393 1.00 0.00 O ATOM 105 CB SER A 8 49.185 -2.000 -27.032 1.00 0.00 C ATOM 106 OG SER A 8 50.293 -2.518 -27.750 1.00 0.00 O ATOM 0 H SER A 8 46.611 -0.421 -26.951 1.00 0.00 H new ATOM 0 HA SER A 8 48.594 -1.166 -28.925 1.00 0.00 H new ATOM 0 HB2 SER A 8 49.521 -1.211 -26.359 1.00 0.00 H new ATOM 0 HB3 SER A 8 48.751 -2.784 -26.412 1.00 0.00 H new ATOM 0 HG SER A 8 50.959 -2.864 -27.119 1.00 0.00 H new ATOM 112 N GLY A 9 45.818 -2.098 -28.389 1.00 0.00 N ATOM 113 CA GLY A 9 44.746 -3.036 -28.665 1.00 0.00 C ATOM 114 C GLY A 9 43.905 -2.620 -29.854 1.00 0.00 C ATOM 115 O GLY A 9 43.486 -3.458 -30.652 1.00 0.00 O ATOM 0 H GLY A 9 45.524 -1.126 -28.296 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.170 -4.023 -28.851 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.108 -3.123 -27.785 1.00 0.00 H new ATOM 119 N VAL A 10 43.659 -1.321 -29.973 1.00 0.00 N ATOM 120 CA VAL A 10 42.865 -0.790 -31.075 1.00 0.00 C ATOM 121 C VAL A 10 43.764 -0.264 -32.188 1.00 0.00 C ATOM 122 O VAL A 10 44.888 0.171 -31.938 1.00 0.00 O ATOM 123 CB VAL A 10 41.930 0.340 -30.605 1.00 0.00 C ATOM 124 CG1 VAL A 10 41.063 0.830 -31.754 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.071 -0.128 -29.441 1.00 0.00 C ATOM 0 H VAL A 10 43.998 -0.615 -29.320 1.00 0.00 H new ATOM 0 HA VAL A 10 42.259 -1.612 -31.455 1.00 0.00 H new ATOM 0 HB VAL A 10 42.542 1.174 -30.263 1.00 0.00 H new ATOM 0 HG11 VAL A 10 40.409 1.628 -31.402 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.699 1.208 -32.554 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.458 0.005 -32.131 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.417 0.683 -29.122 1.00 0.00 H new ATOM 0 HG22 VAL A 10 40.467 -0.980 -29.754 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.713 -0.424 -28.611 1.00 0.00 H new ATOM 135 N VAL A 11 43.264 -0.310 -33.419 1.00 0.00 N ATOM 136 CA VAL A 11 44.029 0.160 -34.568 1.00 0.00 C ATOM 137 C VAL A 11 43.190 1.068 -35.460 1.00 0.00 C ATOM 138 O VAL A 11 42.588 0.615 -36.434 1.00 0.00 O ATOM 139 CB VAL A 11 44.562 -1.016 -35.407 1.00 0.00 C ATOM 140 CG1 VAL A 11 45.137 -0.516 -36.724 1.00 0.00 C ATOM 141 CG2 VAL A 11 45.604 -1.800 -34.626 1.00 0.00 C ATOM 0 H VAL A 11 42.336 -0.667 -33.646 1.00 0.00 H new ATOM 0 HA VAL A 11 44.872 0.727 -34.173 1.00 0.00 H new ATOM 0 HB VAL A 11 43.731 -1.684 -35.631 1.00 0.00 H new ATOM 0 HG11 VAL A 11 45.509 -1.361 -37.303 1.00 0.00 H new ATOM 0 HG12 VAL A 11 44.359 -0.003 -37.289 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.956 0.175 -36.524 1.00 0.00 H new ATOM 0 HG21 VAL A 11 45.969 -2.627 -35.235 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.436 -1.144 -34.369 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.156 -2.192 -33.713 1.00 0.00 H new ATOM 151 N TYR A 12 43.162 2.352 -35.124 1.00 0.00 N ATOM 152 CA TYR A 12 42.406 3.332 -35.896 1.00 0.00 C ATOM 153 C TYR A 12 43.136 3.671 -37.191 1.00 0.00 C ATOM 154 O TYR A 12 44.171 3.080 -37.504 1.00 0.00 O ATOM 155 CB TYR A 12 42.193 4.603 -35.073 1.00 0.00 C ATOM 156 CG TYR A 12 41.223 4.430 -33.929 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.855 4.367 -34.159 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.675 4.326 -32.621 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.963 4.207 -33.116 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.790 4.164 -31.572 1.00 0.00 C ATOM 161 CZ TYR A 12 39.436 4.104 -31.825 1.00 0.00 C ATOM 162 OH TYR A 12 38.552 3.943 -30.782 1.00 0.00 O ATOM 0 H TYR A 12 43.655 2.740 -34.320 1.00 0.00 H new ATOM 0 HA TYR A 12 41.436 2.900 -36.143 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.153 4.934 -34.677 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.830 5.394 -35.729 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.482 4.444 -35.170 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.735 4.372 -32.420 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.902 4.163 -33.311 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.157 4.085 -30.559 1.00 0.00 H new ATOM 0 HH TYR A 12 38.848 4.479 -30.017 1.00 0.00 H new ATOM 172 N SER A 13 42.599 4.629 -37.938 1.00 0.00 N ATOM 173 CA SER A 13 43.212 5.046 -39.193 1.00 0.00 C ATOM 174 C SER A 13 43.341 6.564 -39.264 1.00 0.00 C ATOM 175 O SER A 13 42.405 7.293 -38.943 1.00 0.00 O ATOM 176 CB SER A 13 42.397 4.535 -40.377 1.00 0.00 C ATOM 177 OG SER A 13 42.773 3.213 -40.724 1.00 0.00 O ATOM 0 H SER A 13 41.744 5.130 -37.697 1.00 0.00 H new ATOM 0 HA SER A 13 44.212 4.616 -39.237 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.336 4.561 -40.130 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.542 5.194 -41.233 1.00 0.00 H new ATOM 0 HG SER A 13 43.559 2.949 -40.202 1.00 0.00 H new ATOM 183 N VAL A 14 44.516 7.024 -39.681 1.00 0.00 N ATOM 184 CA VAL A 14 44.800 8.452 -39.797 1.00 0.00 C ATOM 185 C VAL A 14 43.547 9.263 -40.116 1.00 0.00 C ATOM 186 O VAL A 14 43.247 9.527 -41.281 1.00 0.00 O ATOM 187 CB VAL A 14 45.858 8.721 -40.884 1.00 0.00 C ATOM 188 CG1 VAL A 14 45.429 8.114 -42.210 1.00 0.00 C ATOM 189 CG2 VAL A 14 46.104 10.214 -41.033 1.00 0.00 C ATOM 0 H VAL A 14 45.295 6.422 -39.947 1.00 0.00 H new ATOM 0 HA VAL A 14 45.182 8.768 -38.826 1.00 0.00 H new ATOM 0 HB VAL A 14 46.792 8.249 -40.578 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.189 8.315 -42.965 1.00 0.00 H new ATOM 0 HG12 VAL A 14 45.307 7.037 -42.095 1.00 0.00 H new ATOM 0 HG13 VAL A 14 44.482 8.555 -42.522 1.00 0.00 H new ATOM 0 HG21 VAL A 14 46.854 10.384 -41.805 1.00 0.00 H new ATOM 0 HG22 VAL A 14 45.175 10.710 -41.314 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.460 10.620 -40.086 1.00 0.00 H new ATOM 199 N GLY A 15 42.829 9.670 -39.073 1.00 0.00 N ATOM 200 CA GLY A 15 41.627 10.464 -39.263 1.00 0.00 C ATOM 201 C GLY A 15 40.414 9.902 -38.543 1.00 0.00 C ATOM 202 O GLY A 15 39.399 10.585 -38.404 1.00 0.00 O ATOM 0 H GLY A 15 43.058 9.465 -38.100 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.811 11.479 -38.911 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.409 10.531 -40.329 1.00 0.00 H new ATOM 206 N MET A 16 40.513 8.660 -38.082 1.00 0.00 N ATOM 207 CA MET A 16 39.407 8.024 -37.376 1.00 0.00 C ATOM 208 C MET A 16 39.407 8.421 -35.904 1.00 0.00 C ATOM 209 O MET A 16 40.306 8.047 -35.151 1.00 0.00 O ATOM 210 CB MET A 16 39.493 6.503 -37.514 1.00 0.00 C ATOM 211 CG MET A 16 39.517 6.028 -38.958 1.00 0.00 C ATOM 212 SD MET A 16 38.849 4.364 -39.152 1.00 0.00 S ATOM 213 CE MET A 16 39.138 3.691 -37.519 1.00 0.00 C ATOM 0 H MET A 16 41.343 8.076 -38.184 1.00 0.00 H new ATOM 0 HA MET A 16 38.474 8.365 -37.824 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.392 6.150 -37.008 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.642 6.051 -37.005 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.943 6.720 -39.574 1.00 0.00 H new ATOM 0 HG3 MET A 16 40.543 6.049 -39.327 1.00 0.00 H new ATOM 0 HE1 MET A 16 39.154 2.602 -37.572 1.00 0.00 H new ATOM 0 HE2 MET A 16 40.096 4.050 -37.142 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.341 4.010 -36.848 1.00 0.00 H new ATOM 223 N GLN A 17 38.394 9.181 -35.501 1.00 0.00 N ATOM 224 CA GLN A 17 38.278 9.629 -34.119 1.00 0.00 C ATOM 225 C GLN A 17 37.517 8.610 -33.282 1.00 0.00 C ATOM 226 O GLN A 17 36.741 7.812 -33.809 1.00 0.00 O ATOM 227 CB GLN A 17 37.574 10.987 -34.052 1.00 0.00 C ATOM 228 CG GLN A 17 37.819 11.868 -35.265 1.00 0.00 C ATOM 229 CD GLN A 17 36.938 13.104 -35.276 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.521 13.544 -34.093 1.00 0.00 O flip ATOM 231 NE2 GLN A 17 36.637 13.657 -36.333 1.00 0.00 N flip ATOM 0 H GLN A 17 37.642 9.499 -36.112 1.00 0.00 H new ATOM 0 HA GLN A 17 39.284 9.732 -33.713 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.502 10.824 -33.944 1.00 0.00 H new ATOM 0 HB3 GLN A 17 37.908 11.515 -33.159 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.866 12.172 -35.283 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.639 11.290 -36.172 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.980 13.285 -37.219 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.045 14.488 -36.323 1.00 0.00 H new ATOM 240 N TRP A 18 37.740 8.643 -31.973 1.00 0.00 N ATOM 241 CA TRP A 18 37.071 7.721 -31.063 1.00 0.00 C ATOM 242 C TRP A 18 36.916 8.337 -29.677 1.00 0.00 C ATOM 243 O TRP A 18 37.069 9.546 -29.502 1.00 0.00 O ATOM 244 CB TRP A 18 37.844 6.404 -30.976 1.00 0.00 C ATOM 245 CG TRP A 18 39.219 6.555 -30.406 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.611 6.276 -29.129 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.386 7.020 -31.094 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.950 6.538 -28.980 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.449 6.999 -30.172 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.634 7.452 -32.400 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.740 7.393 -30.517 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.914 7.844 -32.740 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.953 7.812 -31.803 1.00 0.00 C ATOM 0 H TRP A 18 38.378 9.297 -31.519 1.00 0.00 H new ATOM 0 HA TRP A 18 36.075 7.519 -31.458 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.280 5.701 -30.363 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.918 5.969 -31.973 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.963 5.904 -28.350 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.487 6.411 -28.122 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.839 7.479 -33.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.544 7.369 -29.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.116 8.181 -33.746 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.943 8.124 -32.100 1.00 0.00 H new ATOM 264 N LEU A 19 36.601 7.501 -28.693 1.00 0.00 N ATOM 265 CA LEU A 19 36.412 7.971 -27.327 1.00 0.00 C ATOM 266 C LEU A 19 36.576 6.836 -26.326 1.00 0.00 C ATOM 267 O LEU A 19 36.332 5.672 -26.644 1.00 0.00 O ATOM 268 CB LEU A 19 35.023 8.594 -27.184 1.00 0.00 C ATOM 269 CG LEU A 19 34.672 9.104 -25.786 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.623 10.624 -25.778 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.342 8.524 -25.326 1.00 0.00 C ATOM 0 H LEU A 19 36.472 6.497 -28.816 1.00 0.00 H new ATOM 0 HA LEU A 19 37.174 8.721 -27.115 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.942 9.424 -27.886 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.279 7.854 -27.479 1.00 0.00 H new ATOM 0 HG LEU A 19 35.446 8.778 -25.091 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.372 10.975 -24.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.596 11.021 -26.068 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.866 10.967 -26.483 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.108 8.897 -24.329 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.556 8.822 -26.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.409 7.436 -25.300 1.00 0.00 H new ATOM 283 N LYS A 20 36.988 7.185 -25.114 1.00 0.00 N ATOM 284 CA LYS A 20 37.181 6.198 -24.059 1.00 0.00 C ATOM 285 C LYS A 20 36.895 6.804 -22.689 1.00 0.00 C ATOM 286 O LYS A 20 36.791 8.023 -22.549 1.00 0.00 O ATOM 287 CB LYS A 20 38.607 5.645 -24.099 1.00 0.00 C ATOM 288 CG LYS A 20 39.650 6.595 -23.534 1.00 0.00 C ATOM 289 CD LYS A 20 40.861 5.840 -23.007 1.00 0.00 C ATOM 290 CE LYS A 20 41.478 6.540 -21.805 1.00 0.00 C ATOM 291 NZ LYS A 20 42.417 5.651 -21.066 1.00 0.00 N ATOM 0 H LYS A 20 37.195 8.145 -24.837 1.00 0.00 H new ATOM 0 HA LYS A 20 36.480 5.381 -24.229 1.00 0.00 H new ATOM 0 HB2 LYS A 20 38.640 4.710 -23.540 1.00 0.00 H new ATOM 0 HB3 LYS A 20 38.866 5.408 -25.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 39.964 7.295 -24.308 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.209 7.185 -22.731 1.00 0.00 H new ATOM 0 HD2 LYS A 20 40.567 4.828 -22.728 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.606 5.749 -23.798 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.009 7.432 -22.137 1.00 0.00 H new ATOM 0 HE3 LYS A 20 40.687 6.872 -21.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.816 6.165 -20.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 41.906 4.811 -20.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.186 5.355 -21.700 1.00 0.00 H new ATOM 379 N GLN A 26 35.370 10.981 -18.678 1.00 0.00 N ATOM 380 CA GLN A 26 35.248 10.812 -20.121 1.00 0.00 C ATOM 381 C GLN A 26 36.507 11.296 -20.831 1.00 0.00 C ATOM 382 O GLN A 26 36.977 12.409 -20.592 1.00 0.00 O ATOM 383 CB GLN A 26 34.028 11.574 -20.640 1.00 0.00 C ATOM 384 CG GLN A 26 33.086 10.718 -21.470 1.00 0.00 C ATOM 385 CD GLN A 26 31.628 11.012 -21.183 1.00 0.00 C ATOM 386 OE1 GLN A 26 31.299 11.999 -20.525 1.00 0.00 O ATOM 387 NE2 GLN A 26 30.742 10.154 -21.678 1.00 0.00 N ATOM 0 HA GLN A 26 35.121 9.750 -20.331 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.480 11.987 -19.793 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.366 12.417 -21.242 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.285 10.886 -22.528 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.287 9.665 -21.271 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.059 9.349 -22.218 1.00 0.00 H new ATOM 0 HE22 GLN A 26 29.745 10.301 -21.518 1.00 0.00 H new ATOM 396 N MET A 27 37.051 10.455 -21.705 1.00 0.00 N ATOM 397 CA MET A 27 38.257 10.803 -22.445 1.00 0.00 C ATOM 398 C MET A 27 38.057 10.608 -23.946 1.00 0.00 C ATOM 399 O MET A 27 37.836 9.492 -24.415 1.00 0.00 O ATOM 400 CB MET A 27 39.439 9.960 -21.962 1.00 0.00 C ATOM 401 CG MET A 27 40.769 10.694 -22.014 1.00 0.00 C ATOM 402 SD MET A 27 42.019 9.797 -22.955 1.00 0.00 S ATOM 403 CE MET A 27 43.520 10.405 -22.191 1.00 0.00 C ATOM 0 H MET A 27 36.676 9.530 -21.917 1.00 0.00 H new ATOM 0 HA MET A 27 38.471 11.856 -22.262 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.251 9.638 -20.938 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.506 9.059 -22.572 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.620 11.677 -22.460 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.131 10.856 -20.999 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.384 9.941 -22.666 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.577 11.487 -22.312 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.514 10.158 -21.129 1.00 0.00 H new ATOM 413 N LEU A 28 38.147 11.705 -24.691 1.00 0.00 N ATOM 414 CA LEU A 28 37.986 11.668 -26.140 1.00 0.00 C ATOM 415 C LEU A 28 39.346 11.678 -26.825 1.00 0.00 C ATOM 416 O LEU A 28 40.236 12.436 -26.439 1.00 0.00 O ATOM 417 CB LEU A 28 37.162 12.868 -26.606 1.00 0.00 C ATOM 418 CG LEU A 28 36.598 12.752 -28.021 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.093 12.962 -28.012 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.274 13.754 -28.946 1.00 0.00 C ATOM 0 H LEU A 28 38.331 12.634 -24.313 1.00 0.00 H new ATOM 0 HA LEU A 28 37.464 10.750 -26.408 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.334 13.013 -25.912 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.785 13.761 -26.551 1.00 0.00 H new ATOM 0 HG LEU A 28 36.802 11.748 -28.394 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.708 12.876 -29.028 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.624 12.207 -27.381 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.866 13.954 -27.621 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.861 13.658 -29.950 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.100 14.765 -28.577 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.346 13.557 -28.974 1.00 0.00 H new ATOM 432 N CYS A 29 39.513 10.835 -27.841 1.00 0.00 N ATOM 433 CA CYS A 29 40.781 10.765 -28.557 1.00 0.00 C ATOM 434 C CYS A 29 40.580 10.715 -30.066 1.00 0.00 C ATOM 435 O CYS A 29 39.581 10.190 -30.559 1.00 0.00 O ATOM 436 CB CYS A 29 41.587 9.549 -28.104 1.00 0.00 C ATOM 437 SG CYS A 29 43.348 9.623 -28.568 1.00 0.00 S ATOM 0 H CYS A 29 38.794 10.198 -28.183 1.00 0.00 H new ATOM 0 HA CYS A 29 41.333 11.675 -28.321 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.509 9.456 -27.021 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.145 8.650 -28.534 1.00 0.00 H new ATOM 442 N THR A 30 41.551 11.260 -30.790 1.00 0.00 N ATOM 443 CA THR A 30 41.511 11.280 -32.249 1.00 0.00 C ATOM 444 C THR A 30 42.910 11.147 -32.828 1.00 0.00 C ATOM 445 O THR A 30 43.899 11.465 -32.168 1.00 0.00 O ATOM 446 CB THR A 30 40.885 12.579 -32.795 1.00 0.00 C ATOM 447 OG1 THR A 30 39.522 12.685 -32.369 1.00 0.00 O ATOM 448 CG2 THR A 30 40.953 12.612 -34.318 1.00 0.00 C ATOM 0 H THR A 30 42.381 11.697 -30.388 1.00 0.00 H new ATOM 0 HA THR A 30 40.893 10.434 -32.551 1.00 0.00 H new ATOM 0 HB THR A 30 41.452 13.423 -32.403 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.133 13.514 -32.719 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.506 13.537 -34.682 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.994 12.562 -34.637 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.408 11.761 -34.725 1.00 0.00 H new ATOM 456 N CYS A 31 42.989 10.688 -34.069 1.00 0.00 N ATOM 457 CA CYS A 31 44.270 10.532 -34.735 1.00 0.00 C ATOM 458 C CYS A 31 44.308 11.352 -36.015 1.00 0.00 C ATOM 459 O CYS A 31 43.668 11.015 -37.012 1.00 0.00 O ATOM 460 CB CYS A 31 44.554 9.061 -35.025 1.00 0.00 C ATOM 461 SG CYS A 31 43.271 8.217 -35.995 1.00 0.00 S ATOM 0 H CYS A 31 42.182 10.418 -34.632 1.00 0.00 H new ATOM 0 HA CYS A 31 45.050 10.901 -34.069 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.502 8.986 -35.558 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.679 8.536 -34.078 1.00 0.00 H new ATOM 466 N LEU A 32 45.058 12.440 -35.962 1.00 0.00 N ATOM 467 CA LEU A 32 45.195 13.347 -37.095 1.00 0.00 C ATOM 468 C LEU A 32 46.174 12.790 -38.122 1.00 0.00 C ATOM 469 O LEU A 32 45.778 12.101 -39.061 1.00 0.00 O ATOM 470 CB LEU A 32 45.676 14.723 -36.619 1.00 0.00 C ATOM 471 CG LEU A 32 46.462 14.713 -35.305 1.00 0.00 C ATOM 472 CD1 LEU A 32 47.575 15.744 -35.322 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.526 14.947 -34.126 1.00 0.00 C ATOM 0 H LEU A 32 45.588 12.721 -35.137 1.00 0.00 H new ATOM 0 HA LEU A 32 44.217 13.449 -37.565 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.302 15.162 -37.396 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.810 15.374 -36.502 1.00 0.00 H new ATOM 0 HG LEU A 32 46.923 13.731 -35.193 1.00 0.00 H new ATOM 0 HD11 LEU A 32 48.115 15.712 -34.375 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.262 15.524 -36.139 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.149 16.737 -35.464 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.099 14.937 -33.199 1.00 0.00 H new ATOM 0 HD22 LEU A 32 45.034 15.913 -34.238 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.774 14.158 -34.096 1.00 0.00 H new ATOM 485 N GLY A 33 47.451 13.092 -37.936 1.00 0.00 N ATOM 486 CA GLY A 33 48.468 12.613 -38.854 1.00 0.00 C ATOM 487 C GLY A 33 49.857 12.677 -38.255 1.00 0.00 C ATOM 488 O GLY A 33 50.689 11.802 -38.500 1.00 0.00 O ATOM 0 H GLY A 33 47.803 13.661 -37.166 1.00 0.00 H new ATOM 0 HA2 GLY A 33 48.244 11.585 -39.137 1.00 0.00 H new ATOM 0 HA3 GLY A 33 48.440 13.208 -39.767 1.00 0.00 H new ATOM 492 N ASN A 34 50.107 13.713 -37.465 1.00 0.00 N ATOM 493 CA ASN A 34 51.402 13.888 -36.823 1.00 0.00 C ATOM 494 C ASN A 34 51.390 13.307 -35.413 1.00 0.00 C ATOM 495 O ASN A 34 52.431 13.213 -34.763 1.00 0.00 O ATOM 496 CB ASN A 34 51.775 15.371 -36.777 1.00 0.00 C ATOM 497 CG ASN A 34 50.840 16.178 -35.900 1.00 0.00 C ATOM 498 OD1 ASN A 34 49.818 16.685 -36.361 1.00 0.00 O ATOM 499 ND2 ASN A 34 51.189 16.305 -34.624 1.00 0.00 N ATOM 0 H ASN A 34 49.429 14.445 -37.254 1.00 0.00 H new ATOM 0 HA ASN A 34 52.149 13.353 -37.410 1.00 0.00 H new ATOM 0 HB2 ASN A 34 52.795 15.474 -36.407 1.00 0.00 H new ATOM 0 HB3 ASN A 34 51.760 15.777 -37.788 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.600 16.840 -33.985 1.00 0.00 H new ATOM 0 HD22 ASN A 34 52.045 15.868 -34.284 1.00 0.00 H new ATOM 506 N GLY A 35 50.208 12.911 -34.944 1.00 0.00 N ATOM 507 CA GLY A 35 50.093 12.338 -33.618 1.00 0.00 C ATOM 508 C GLY A 35 48.661 12.244 -33.141 1.00 0.00 C ATOM 509 O GLY A 35 47.831 13.094 -33.453 1.00 0.00 O ATOM 0 H GLY A 35 49.331 12.978 -35.460 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.537 11.343 -33.618 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.666 12.943 -32.915 1.00 0.00 H new ATOM 513 N VAL A 36 48.385 11.204 -32.377 1.00 0.00 N ATOM 514 CA VAL A 36 47.051 10.972 -31.837 1.00 0.00 C ATOM 515 C VAL A 36 46.819 11.805 -30.581 1.00 0.00 C ATOM 516 O VAL A 36 47.486 11.615 -29.565 1.00 0.00 O ATOM 517 CB VAL A 36 46.825 9.477 -31.517 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.662 9.287 -30.552 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.592 8.695 -32.797 1.00 0.00 C ATOM 0 H VAL A 36 49.072 10.498 -32.112 1.00 0.00 H new ATOM 0 HA VAL A 36 46.336 11.275 -32.602 1.00 0.00 H new ATOM 0 HB VAL A 36 47.723 9.095 -31.031 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.529 8.225 -30.347 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.872 9.813 -29.621 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.751 9.688 -30.997 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.434 7.643 -32.557 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.712 9.087 -33.308 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.462 8.793 -33.446 1.00 0.00 H new ATOM 529 N SER A 37 45.864 12.725 -30.660 1.00 0.00 N ATOM 530 CA SER A 37 45.539 13.586 -29.532 1.00 0.00 C ATOM 531 C SER A 37 44.209 13.179 -28.906 1.00 0.00 C ATOM 532 O SER A 37 43.354 12.593 -29.569 1.00 0.00 O ATOM 533 CB SER A 37 45.481 15.047 -29.979 1.00 0.00 C ATOM 534 OG SER A 37 45.290 15.912 -28.873 1.00 0.00 O ATOM 0 H SER A 37 45.302 12.893 -31.494 1.00 0.00 H new ATOM 0 HA SER A 37 46.323 13.475 -28.783 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.405 15.310 -30.495 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.668 15.180 -30.693 1.00 0.00 H new ATOM 0 HG SER A 37 45.258 16.840 -29.185 1.00 0.00 H new ATOM 540 N CYS A 38 44.042 13.494 -27.627 1.00 0.00 N ATOM 541 CA CYS A 38 42.815 13.160 -26.912 1.00 0.00 C ATOM 542 C CYS A 38 42.580 14.128 -25.757 1.00 0.00 C ATOM 543 O CYS A 38 43.528 14.629 -25.152 1.00 0.00 O ATOM 544 CB CYS A 38 42.878 11.725 -26.384 1.00 0.00 C ATOM 545 SG CYS A 38 44.224 10.714 -27.091 1.00 0.00 S ATOM 0 H CYS A 38 44.740 13.980 -27.064 1.00 0.00 H new ATOM 0 HA CYS A 38 41.983 13.245 -27.611 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.994 11.755 -25.301 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.927 11.234 -26.589 1.00 0.00 H new ATOM 550 N GLN A 39 41.312 14.385 -25.454 1.00 0.00 N ATOM 551 CA GLN A 39 40.956 15.292 -24.368 1.00 0.00 C ATOM 552 C GLN A 39 40.568 14.513 -23.114 1.00 0.00 C ATOM 553 O GLN A 39 39.522 13.866 -23.072 1.00 0.00 O ATOM 554 CB GLN A 39 39.804 16.206 -24.793 1.00 0.00 C ATOM 555 CG GLN A 39 40.250 17.601 -25.200 1.00 0.00 C ATOM 556 CD GLN A 39 39.123 18.422 -25.794 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.729 19.451 -25.243 1.00 0.00 O ATOM 558 NE2 GLN A 39 38.593 17.970 -26.926 1.00 0.00 N ATOM 0 H GLN A 39 40.515 13.979 -25.944 1.00 0.00 H new ATOM 0 HA GLN A 39 41.828 15.904 -24.139 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.275 15.745 -25.627 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.093 16.287 -23.970 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.652 18.119 -24.329 1.00 0.00 H new ATOM 0 HG3 GLN A 39 41.059 17.523 -25.926 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.949 17.113 -27.349 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.830 18.480 -27.371 1.00 0.00 H new ATOM 636 N GLN A 45 29.831 21.965 -19.655 1.00 0.00 N ATOM 637 CA GLN A 45 28.852 22.670 -18.835 1.00 0.00 C ATOM 638 C GLN A 45 27.427 22.325 -19.260 1.00 0.00 C ATOM 639 O GLN A 45 27.210 21.711 -20.304 1.00 0.00 O ATOM 640 CB GLN A 45 29.073 24.182 -18.927 1.00 0.00 C ATOM 641 CG GLN A 45 30.536 24.588 -18.846 1.00 0.00 C ATOM 642 CD GLN A 45 31.360 23.632 -18.005 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.974 23.274 -16.893 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.503 23.213 -18.536 1.00 0.00 N ATOM 0 HA GLN A 45 28.987 22.351 -17.802 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.655 24.546 -19.866 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.524 24.671 -18.123 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.953 24.633 -19.852 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.608 25.591 -18.426 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.784 23.536 -19.462 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.100 22.568 -18.018 1.00 0.00 H new ATOM 653 N THR A 46 26.462 22.725 -18.439 1.00 0.00 N ATOM 654 CA THR A 46 25.056 22.462 -18.722 1.00 0.00 C ATOM 655 C THR A 46 24.156 23.378 -17.899 1.00 0.00 C ATOM 656 O THR A 46 24.195 23.362 -16.669 1.00 0.00 O ATOM 657 CB THR A 46 24.686 20.998 -18.423 1.00 0.00 C ATOM 658 OG1 THR A 46 25.297 20.578 -17.197 1.00 0.00 O ATOM 659 CG2 THR A 46 25.131 20.087 -19.556 1.00 0.00 C ATOM 0 H THR A 46 26.628 23.234 -17.571 1.00 0.00 H new ATOM 0 HA THR A 46 24.903 22.657 -19.784 1.00 0.00 H new ATOM 0 HB THR A 46 23.602 20.932 -18.328 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.608 20.469 -16.509 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.859 19.057 -19.323 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.641 20.391 -20.481 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.212 20.158 -19.677 1.00 0.00 H new ATOM 667 N TYR A 47 23.348 24.180 -18.585 1.00 0.00 N ATOM 668 CA TYR A 47 22.445 25.106 -17.911 1.00 0.00 C ATOM 669 C TYR A 47 21.034 25.019 -18.487 1.00 0.00 C ATOM 670 O TYR A 47 20.831 25.190 -19.690 1.00 0.00 O ATOM 671 CB TYR A 47 22.969 26.538 -18.033 1.00 0.00 C ATOM 672 CG TYR A 47 23.256 26.956 -19.458 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.228 27.349 -20.305 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.553 26.953 -19.957 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.484 27.727 -21.609 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.816 27.330 -21.259 1.00 0.00 C ATOM 677 CZ TYR A 47 23.779 27.716 -22.081 1.00 0.00 C ATOM 678 OH TYR A 47 24.036 28.092 -23.380 1.00 0.00 O ATOM 0 H TYR A 47 23.300 24.208 -19.603 1.00 0.00 H new ATOM 0 HA TYR A 47 22.402 24.826 -16.858 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.238 27.222 -17.602 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.881 26.634 -17.444 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.212 27.359 -19.938 1.00 0.00 H new ATOM 0 HD2 TYR A 47 25.368 26.651 -19.316 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.673 28.030 -22.255 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.830 27.322 -21.632 1.00 0.00 H new ATOM 0 HH TYR A 47 24.998 28.030 -23.554 1.00 0.00 H new ATOM 688 N GLY A 48 20.065 24.757 -17.617 1.00 0.00 N ATOM 689 CA GLY A 48 18.683 24.657 -18.050 1.00 0.00 C ATOM 690 C GLY A 48 18.535 23.944 -19.378 1.00 0.00 C ATOM 691 O GLY A 48 19.070 22.852 -19.569 1.00 0.00 O ATOM 0 H GLY A 48 20.212 24.612 -16.618 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.107 24.127 -17.292 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.259 25.658 -18.131 1.00 0.00 H new ATOM 695 N GLY A 49 17.800 24.562 -20.296 1.00 0.00 N ATOM 696 CA GLY A 49 17.585 23.965 -21.601 1.00 0.00 C ATOM 697 C GLY A 49 16.265 23.227 -21.679 1.00 0.00 C ATOM 698 O GLY A 49 15.199 23.842 -21.644 1.00 0.00 O ATOM 0 H GLY A 49 17.349 25.467 -20.159 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.610 24.743 -22.364 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.399 23.275 -21.822 1.00 0.00 H new ATOM 702 N ASN A 50 16.332 21.903 -21.775 1.00 0.00 N ATOM 703 CA ASN A 50 15.130 21.082 -21.846 1.00 0.00 C ATOM 704 C ASN A 50 14.888 20.375 -20.517 1.00 0.00 C ATOM 705 O ASN A 50 13.790 19.881 -20.256 1.00 0.00 O ATOM 706 CB ASN A 50 15.248 20.054 -22.973 1.00 0.00 C ATOM 707 CG ASN A 50 14.243 18.927 -22.834 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.420 18.018 -22.024 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.176 18.983 -23.624 1.00 0.00 N ATOM 0 H ASN A 50 17.205 21.377 -21.805 1.00 0.00 H new ATOM 0 HA ASN A 50 14.282 21.735 -22.056 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.102 20.551 -23.932 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.256 19.640 -22.979 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.464 18.254 -23.572 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.068 19.755 -24.282 1.00 0.00 H new ATOM 716 N SER A 51 15.920 20.334 -19.680 1.00 0.00 N ATOM 717 CA SER A 51 15.823 19.691 -18.376 1.00 0.00 C ATOM 718 C SER A 51 16.054 20.701 -17.256 1.00 0.00 C ATOM 719 O SER A 51 15.130 21.397 -16.835 1.00 0.00 O ATOM 720 CB SER A 51 16.831 18.543 -18.271 1.00 0.00 C ATOM 721 OG SER A 51 16.335 17.370 -18.892 1.00 0.00 O ATOM 0 H SER A 51 16.834 20.739 -19.883 1.00 0.00 H new ATOM 0 HA SER A 51 14.817 19.285 -18.270 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.771 18.836 -18.739 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.047 18.339 -17.222 1.00 0.00 H new ATOM 0 HG SER A 51 16.998 16.653 -18.813 1.00 0.00 H new ATOM 727 N ASN A 52 17.291 20.782 -16.780 1.00 0.00 N ATOM 728 CA ASN A 52 17.642 21.709 -15.714 1.00 0.00 C ATOM 729 C ASN A 52 19.155 21.784 -15.546 1.00 0.00 C ATOM 730 O ASN A 52 19.657 22.075 -14.461 1.00 0.00 O ATOM 731 CB ASN A 52 16.990 21.277 -14.400 1.00 0.00 C ATOM 732 CG ASN A 52 16.711 22.450 -13.480 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.480 23.570 -13.935 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.735 22.198 -12.177 1.00 0.00 N ATOM 0 H ASN A 52 18.069 20.215 -17.117 1.00 0.00 H new ATOM 0 HA ASN A 52 17.272 22.698 -15.984 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.056 20.757 -14.615 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.641 20.566 -13.891 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.558 22.948 -11.509 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.931 21.254 -11.844 1.00 0.00 H new ATOM 741 N GLY A 53 19.876 21.519 -16.632 1.00 0.00 N ATOM 742 CA GLY A 53 21.325 21.559 -16.586 1.00 0.00 C ATOM 743 C GLY A 53 21.918 20.306 -15.973 1.00 0.00 C ATOM 744 O GLY A 53 23.002 20.346 -15.389 1.00 0.00 O ATOM 0 H GLY A 53 19.482 21.278 -17.541 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.715 21.686 -17.596 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.644 22.428 -16.010 1.00 0.00 H new ATOM 748 N GLU A 54 21.206 19.192 -16.105 1.00 0.00 N ATOM 749 CA GLU A 54 21.666 17.919 -15.558 1.00 0.00 C ATOM 750 C GLU A 54 22.865 17.390 -16.337 1.00 0.00 C ATOM 751 O GLU A 54 23.108 17.793 -17.475 1.00 0.00 O ATOM 752 CB GLU A 54 20.534 16.889 -15.589 1.00 0.00 C ATOM 753 CG GLU A 54 19.255 17.367 -14.922 1.00 0.00 C ATOM 754 CD GLU A 54 18.290 16.235 -14.637 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.717 15.227 -14.034 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.106 16.354 -15.016 1.00 0.00 O ATOM 0 H GLU A 54 20.308 19.144 -16.586 1.00 0.00 H new ATOM 0 HA GLU A 54 21.972 18.088 -14.525 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.318 16.631 -16.626 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.871 15.977 -15.097 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.503 17.872 -13.988 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.768 18.102 -15.563 1.00 0.00 H new ATOM 763 N PRO A 55 23.629 16.472 -15.728 1.00 0.00 N ATOM 764 CA PRO A 55 24.811 15.877 -16.360 1.00 0.00 C ATOM 765 C PRO A 55 24.479 15.219 -17.695 1.00 0.00 C ATOM 766 O PRO A 55 23.456 14.547 -17.829 1.00 0.00 O ATOM 767 CB PRO A 55 25.271 14.824 -15.347 1.00 0.00 C ATOM 768 CG PRO A 55 24.700 15.267 -14.045 1.00 0.00 C ATOM 769 CD PRO A 55 23.400 15.942 -14.374 1.00 0.00 C ATOM 0 HA PRO A 55 25.570 16.625 -16.588 1.00 0.00 H new ATOM 0 HB2 PRO A 55 24.911 13.831 -15.618 1.00 0.00 H new ATOM 0 HB3 PRO A 55 26.359 14.768 -15.302 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.542 14.419 -13.379 1.00 0.00 H new ATOM 0 HG3 PRO A 55 25.377 15.952 -13.534 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.566 15.241 -14.352 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.168 16.736 -13.665 1.00 0.00 H new ATOM 777 N CYS A 56 25.348 15.416 -18.679 1.00 0.00 N ATOM 778 CA CYS A 56 25.146 14.841 -20.003 1.00 0.00 C ATOM 779 C CYS A 56 25.182 13.318 -19.948 1.00 0.00 C ATOM 780 O CYS A 56 25.210 12.725 -18.869 1.00 0.00 O ATOM 781 CB CYS A 56 26.203 15.364 -20.975 1.00 0.00 C ATOM 782 SG CYS A 56 26.224 17.178 -21.137 1.00 0.00 S ATOM 0 H CYS A 56 26.199 15.970 -18.585 1.00 0.00 H new ATOM 0 HA CYS A 56 24.161 15.144 -20.359 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.185 15.027 -20.644 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.029 14.923 -21.957 1.00 0.00 H new ATOM 787 N VAL A 57 25.168 12.687 -21.119 1.00 0.00 N ATOM 788 CA VAL A 57 25.185 11.232 -21.201 1.00 0.00 C ATOM 789 C VAL A 57 25.648 10.757 -22.574 1.00 0.00 C ATOM 790 O VAL A 57 24.955 9.986 -23.239 1.00 0.00 O ATOM 791 CB VAL A 57 23.789 10.645 -20.925 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.859 10.912 -22.098 1.00 0.00 C ATOM 793 CG2 VAL A 57 23.883 9.155 -20.639 1.00 0.00 C ATOM 0 H VAL A 57 25.145 13.161 -22.022 1.00 0.00 H new ATOM 0 HA VAL A 57 25.886 10.884 -20.443 1.00 0.00 H new ATOM 0 HB VAL A 57 23.376 11.135 -20.043 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.876 10.490 -21.887 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.767 11.987 -22.252 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.266 10.450 -22.997 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.886 8.758 -20.446 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.316 8.646 -21.500 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.514 8.991 -19.765 1.00 0.00 H new ATOM 803 N LEU A 58 26.820 11.211 -22.996 1.00 0.00 N ATOM 804 CA LEU A 58 27.355 10.812 -24.293 1.00 0.00 C ATOM 805 C LEU A 58 28.315 9.636 -24.150 1.00 0.00 C ATOM 806 O LEU A 58 28.811 9.353 -23.060 1.00 0.00 O ATOM 807 CB LEU A 58 28.063 11.981 -24.992 1.00 0.00 C ATOM 808 CG LEU A 58 28.564 13.102 -24.079 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.396 13.871 -23.484 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.460 12.544 -22.983 1.00 0.00 C ATOM 0 H LEU A 58 27.414 11.849 -22.467 1.00 0.00 H new ATOM 0 HA LEU A 58 26.510 10.504 -24.909 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.913 11.585 -25.549 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.377 12.412 -25.721 1.00 0.00 H new ATOM 0 HG LEU A 58 29.155 13.794 -24.679 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.774 14.664 -22.838 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.802 14.309 -24.286 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.773 13.193 -22.900 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.805 13.358 -22.345 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.899 11.827 -22.384 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.319 12.047 -23.433 1.00 0.00 H new ATOM 822 N PRO A 59 28.582 8.931 -25.260 1.00 0.00 N ATOM 823 CA PRO A 59 28.000 9.252 -26.564 1.00 0.00 C ATOM 824 C PRO A 59 26.509 8.950 -26.629 1.00 0.00 C ATOM 825 O PRO A 59 26.054 7.901 -26.173 1.00 0.00 O ATOM 826 CB PRO A 59 28.753 8.343 -27.544 1.00 0.00 C ATOM 827 CG PRO A 59 29.900 7.776 -26.773 1.00 0.00 C ATOM 828 CD PRO A 59 29.474 7.770 -25.334 1.00 0.00 C ATOM 0 HA PRO A 59 28.096 10.315 -26.784 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.105 7.551 -27.920 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.103 8.906 -28.409 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.137 6.768 -27.113 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.798 8.379 -26.911 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.960 6.846 -25.067 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.324 7.868 -24.659 1.00 0.00 H new ATOM 836 N PHE A 60 25.757 9.872 -27.214 1.00 0.00 N ATOM 837 CA PHE A 60 24.316 9.709 -27.361 1.00 0.00 C ATOM 838 C PHE A 60 23.940 9.693 -28.838 1.00 0.00 C ATOM 839 O PHE A 60 24.790 9.903 -29.703 1.00 0.00 O ATOM 840 CB PHE A 60 23.570 10.838 -26.646 1.00 0.00 C ATOM 841 CG PHE A 60 24.138 12.198 -26.929 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.706 12.928 -28.026 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.106 12.744 -26.104 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.230 14.177 -28.291 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.634 13.993 -26.366 1.00 0.00 C ATOM 846 CZ PHE A 60 25.195 14.711 -27.461 1.00 0.00 C ATOM 0 H PHE A 60 26.122 10.744 -27.596 1.00 0.00 H new ATOM 0 HA PHE A 60 24.028 8.760 -26.908 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.523 10.820 -26.947 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.596 10.658 -25.571 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.952 12.515 -28.680 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.452 12.187 -25.246 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.885 14.737 -29.148 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.389 14.408 -25.715 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.606 15.688 -27.667 1.00 0.00 H new ATOM 856 N THR A 61 22.668 9.448 -29.125 1.00 0.00 N ATOM 857 CA THR A 61 22.201 9.411 -30.505 1.00 0.00 C ATOM 858 C THR A 61 21.083 10.419 -30.733 1.00 0.00 C ATOM 859 O THR A 61 20.070 10.407 -30.034 1.00 0.00 O ATOM 860 CB THR A 61 21.701 8.007 -30.895 1.00 0.00 C ATOM 861 OG1 THR A 61 22.142 7.045 -29.927 1.00 0.00 O ATOM 862 CG2 THR A 61 22.209 7.614 -32.273 1.00 0.00 C ATOM 0 H THR A 61 21.946 9.273 -28.426 1.00 0.00 H new ATOM 0 HA THR A 61 23.054 9.669 -31.133 1.00 0.00 H new ATOM 0 HB THR A 61 20.611 8.027 -30.919 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.819 6.155 -30.180 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.843 6.619 -32.526 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.850 8.331 -33.011 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.299 7.610 -32.271 1.00 0.00 H new ATOM 870 N TYR A 62 21.275 11.292 -31.716 1.00 0.00 N ATOM 871 CA TYR A 62 20.282 12.307 -32.036 1.00 0.00 C ATOM 872 C TYR A 62 20.200 12.534 -33.540 1.00 0.00 C ATOM 873 O TYR A 62 21.220 12.686 -34.210 1.00 0.00 O ATOM 874 CB TYR A 62 20.611 13.624 -31.332 1.00 0.00 C ATOM 875 CG TYR A 62 19.655 14.742 -31.677 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.337 14.710 -31.243 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.070 15.825 -32.441 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.457 15.728 -31.561 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.196 16.847 -32.762 1.00 0.00 C ATOM 880 CZ TYR A 62 17.892 16.793 -32.319 1.00 0.00 C ATOM 881 OH TYR A 62 17.018 17.805 -32.637 1.00 0.00 O ATOM 0 H TYR A 62 22.109 11.316 -32.303 1.00 0.00 H new ATOM 0 HA TYR A 62 19.315 11.948 -31.684 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.598 13.464 -30.254 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.624 13.927 -31.598 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.993 13.877 -30.648 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.091 15.870 -32.790 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.434 15.688 -31.217 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.533 17.683 -33.357 1.00 0.00 H new ATOM 0 HH TYR A 62 17.069 17.992 -33.598 1.00 0.00 H new ATOM 891 N ASN A 63 18.980 12.557 -34.062 1.00 0.00 N ATOM 892 CA ASN A 63 18.765 12.767 -35.487 1.00 0.00 C ATOM 893 C ASN A 63 19.292 11.588 -36.300 1.00 0.00 C ATOM 894 O ASN A 63 19.325 11.635 -37.530 1.00 0.00 O ATOM 895 CB ASN A 63 19.441 14.063 -35.940 1.00 0.00 C ATOM 896 CG ASN A 63 18.588 15.283 -35.660 1.00 0.00 C ATOM 897 OD1 ASN A 63 17.363 15.191 -35.575 1.00 0.00 O ATOM 898 ND2 ASN A 63 19.232 16.435 -35.512 1.00 0.00 N ATOM 0 H ASN A 63 18.125 12.433 -33.520 1.00 0.00 H new ATOM 0 HA ASN A 63 17.692 12.847 -35.659 1.00 0.00 H new ATOM 0 HB2 ASN A 63 20.399 14.168 -35.431 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.652 14.007 -37.008 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.710 17.290 -35.320 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.249 16.465 -35.591 1.00 0.00 H new ATOM 905 N GLY A 64 19.698 10.527 -35.606 1.00 0.00 N ATOM 906 CA GLY A 64 20.209 9.350 -36.281 1.00 0.00 C ATOM 907 C GLY A 64 21.720 9.233 -36.204 1.00 0.00 C ATOM 908 O GLY A 64 22.291 8.236 -36.648 1.00 0.00 O ATOM 0 H GLY A 64 19.681 10.463 -34.588 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.758 8.461 -35.841 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.905 9.377 -37.327 1.00 0.00 H new ATOM 912 N ARG A 65 22.373 10.245 -35.643 1.00 0.00 N ATOM 913 CA ARG A 65 23.827 10.233 -35.519 1.00 0.00 C ATOM 914 C ARG A 65 24.252 10.064 -34.064 1.00 0.00 C ATOM 915 O ARG A 65 23.458 9.651 -33.219 1.00 0.00 O ATOM 916 CB ARG A 65 24.429 11.515 -36.097 1.00 0.00 C ATOM 917 CG ARG A 65 24.229 12.739 -35.220 1.00 0.00 C ATOM 918 CD ARG A 65 24.383 14.022 -36.021 1.00 0.00 C ATOM 919 NE ARG A 65 23.091 14.579 -36.410 1.00 0.00 N ATOM 920 CZ ARG A 65 22.945 15.757 -37.006 1.00 0.00 C ATOM 921 NH1 ARG A 65 24.007 16.500 -37.283 1.00 0.00 N ATOM 922 NH2 ARG A 65 21.735 16.193 -37.328 1.00 0.00 N ATOM 0 H ARG A 65 21.922 11.080 -35.269 1.00 0.00 H new ATOM 0 HA ARG A 65 24.202 9.382 -36.087 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.497 11.364 -36.255 1.00 0.00 H new ATOM 0 HB3 ARG A 65 23.986 11.704 -37.075 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.238 12.707 -34.767 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.952 12.727 -34.405 1.00 0.00 H new ATOM 0 HD2 ARG A 65 24.931 14.755 -35.430 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.977 13.824 -36.914 1.00 0.00 H new ATOM 0 HE ARG A 65 22.253 14.032 -36.213 1.00 0.00 H new ATOM 0 HH11 ARG A 65 24.940 16.168 -37.038 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.891 17.404 -37.741 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.915 15.624 -37.118 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.624 17.098 -37.786 1.00 0.00 H new ATOM 936 N THR A 66 25.511 10.381 -33.780 1.00 0.00 N ATOM 937 CA THR A 66 26.043 10.258 -32.428 1.00 0.00 C ATOM 938 C THR A 66 27.006 11.395 -32.104 1.00 0.00 C ATOM 939 O THR A 66 27.710 11.894 -32.981 1.00 0.00 O ATOM 940 CB THR A 66 26.768 8.912 -32.236 1.00 0.00 C ATOM 941 OG1 THR A 66 25.927 7.836 -32.665 1.00 0.00 O ATOM 942 CG2 THR A 66 27.155 8.707 -30.780 1.00 0.00 C ATOM 0 H THR A 66 26.181 10.725 -34.468 1.00 0.00 H new ATOM 0 HA THR A 66 25.193 10.308 -31.748 1.00 0.00 H new ATOM 0 HB THR A 66 27.676 8.927 -32.839 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.396 6.985 -32.541 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.665 7.750 -30.670 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.820 9.511 -30.464 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.258 8.713 -30.161 1.00 0.00 H new ATOM 950 N PHE A 67 27.028 11.802 -30.839 1.00 0.00 N ATOM 951 CA PHE A 67 27.901 12.884 -30.398 1.00 0.00 C ATOM 952 C PHE A 67 28.607 12.522 -29.094 1.00 0.00 C ATOM 953 O PHE A 67 28.012 11.914 -28.203 1.00 0.00 O ATOM 954 CB PHE A 67 27.093 14.169 -30.219 1.00 0.00 C ATOM 955 CG PHE A 67 26.044 14.366 -31.277 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.009 13.456 -31.424 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.095 15.462 -32.123 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.045 13.636 -32.396 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.133 15.646 -33.099 1.00 0.00 C ATOM 960 CZ PHE A 67 24.106 14.732 -33.234 1.00 0.00 C ATOM 0 H PHE A 67 26.451 11.399 -30.101 1.00 0.00 H new ATOM 0 HA PHE A 67 28.661 13.042 -31.163 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.613 14.155 -29.240 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.773 15.021 -30.228 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.956 12.597 -30.771 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.895 16.180 -32.019 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.243 12.920 -32.501 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.184 16.503 -33.755 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.352 14.874 -33.994 1.00 0.00 H new ATOM 970 N TYR A 68 29.879 12.896 -28.991 1.00 0.00 N ATOM 971 CA TYR A 68 30.669 12.609 -27.802 1.00 0.00 C ATOM 972 C TYR A 68 30.665 13.791 -26.838 1.00 0.00 C ATOM 973 O TYR A 68 31.475 13.849 -25.913 1.00 0.00 O ATOM 974 CB TYR A 68 32.107 12.273 -28.201 1.00 0.00 C ATOM 975 CG TYR A 68 32.260 10.900 -28.811 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.176 10.039 -28.909 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.489 10.462 -29.282 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.312 8.781 -29.463 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.635 9.205 -29.836 1.00 0.00 C ATOM 980 CZ TYR A 68 32.544 8.368 -29.924 1.00 0.00 C ATOM 981 OH TYR A 68 32.684 7.115 -30.473 1.00 0.00 O ATOM 0 H TYR A 68 30.384 13.400 -29.720 1.00 0.00 H new ATOM 0 HA TYR A 68 30.220 11.754 -27.296 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.462 13.019 -28.912 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.745 12.343 -27.320 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.210 10.358 -28.546 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.347 11.115 -29.214 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.458 8.124 -29.535 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.599 8.880 -30.198 1.00 0.00 H new ATOM 0 HH TYR A 68 33.615 6.981 -30.749 1.00 0.00 H new ATOM 991 N SER A 69 29.754 14.734 -27.059 1.00 0.00 N ATOM 992 CA SER A 69 29.660 15.909 -26.201 1.00 0.00 C ATOM 993 C SER A 69 28.554 16.852 -26.659 1.00 0.00 C ATOM 994 O SER A 69 27.605 16.444 -27.329 1.00 0.00 O ATOM 995 CB SER A 69 30.999 16.649 -26.177 1.00 0.00 C ATOM 996 OG SER A 69 31.411 16.916 -24.847 1.00 0.00 O ATOM 0 H SER A 69 29.075 14.708 -27.820 1.00 0.00 H new ATOM 0 HA SER A 69 29.414 15.568 -25.196 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.757 16.051 -26.683 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.911 17.585 -26.728 1.00 0.00 H new ATOM 0 HG SER A 69 32.270 17.388 -24.859 1.00 0.00 H new ATOM 1002 N CYS A 70 28.691 18.116 -26.283 1.00 0.00 N ATOM 1003 CA CYS A 70 27.718 19.144 -26.634 1.00 0.00 C ATOM 1004 C CYS A 70 27.621 19.304 -28.148 1.00 0.00 C ATOM 1005 O CYS A 70 28.512 18.877 -28.883 1.00 0.00 O ATOM 1006 CB CYS A 70 28.109 20.474 -25.982 1.00 0.00 C ATOM 1007 SG CYS A 70 28.888 20.303 -24.340 1.00 0.00 S ATOM 0 H CYS A 70 29.476 18.458 -25.728 1.00 0.00 H new ATOM 0 HA CYS A 70 26.740 18.839 -26.263 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.795 21.002 -26.644 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.218 21.094 -25.886 1.00 0.00 H new ATOM 1012 N THR A 71 26.534 19.917 -28.615 1.00 0.00 N ATOM 1013 CA THR A 71 26.335 20.120 -30.046 1.00 0.00 C ATOM 1014 C THR A 71 25.111 20.986 -30.329 1.00 0.00 C ATOM 1015 O THR A 71 24.233 21.139 -29.479 1.00 0.00 O ATOM 1016 CB THR A 71 26.169 18.778 -30.783 1.00 0.00 C ATOM 1017 OG1 THR A 71 26.294 18.978 -32.197 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.818 18.154 -30.472 1.00 0.00 C ATOM 0 H THR A 71 25.783 20.279 -28.027 1.00 0.00 H new ATOM 0 HA THR A 71 27.226 20.630 -30.411 1.00 0.00 H new ATOM 0 HB THR A 71 26.951 18.101 -30.441 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.067 18.148 -32.666 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.724 17.207 -31.004 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.737 17.978 -29.399 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.024 18.829 -30.790 1.00 0.00 H new ATOM 1026 N THR A 72 25.058 21.542 -31.537 1.00 0.00 N ATOM 1027 CA THR A 72 23.943 22.387 -31.953 1.00 0.00 C ATOM 1028 C THR A 72 23.339 21.882 -33.263 1.00 0.00 C ATOM 1029 O THR A 72 23.537 22.481 -34.319 1.00 0.00 O ATOM 1030 CB THR A 72 24.385 23.851 -32.145 1.00 0.00 C ATOM 1031 OG1 THR A 72 25.799 23.910 -32.372 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.030 24.697 -30.929 1.00 0.00 C ATOM 0 H THR A 72 25.779 21.421 -32.248 1.00 0.00 H new ATOM 0 HA THR A 72 23.197 22.341 -31.160 1.00 0.00 H new ATOM 0 HB THR A 72 23.857 24.251 -33.010 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.072 24.843 -32.495 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.354 25.725 -31.094 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.951 24.677 -30.774 1.00 0.00 H new ATOM 0 HG23 THR A 72 24.530 24.296 -30.048 1.00 0.00 H new ATOM 1040 N GLU A 73 22.610 20.770 -33.191 1.00 0.00 N ATOM 1041 CA GLU A 73 21.991 20.185 -34.379 1.00 0.00 C ATOM 1042 C GLU A 73 20.495 19.975 -34.179 1.00 0.00 C ATOM 1043 O GLU A 73 19.853 19.244 -34.932 1.00 0.00 O ATOM 1044 CB GLU A 73 22.652 18.851 -34.712 1.00 0.00 C ATOM 1045 CG GLU A 73 24.068 18.985 -35.248 1.00 0.00 C ATOM 1046 CD GLU A 73 24.104 19.498 -36.674 1.00 0.00 C ATOM 1047 OE1 GLU A 73 23.149 20.192 -37.080 1.00 0.00 O ATOM 1048 OE2 GLU A 73 25.090 19.207 -37.384 1.00 0.00 O ATOM 0 H GLU A 73 22.434 20.258 -32.327 1.00 0.00 H new ATOM 0 HA GLU A 73 22.133 20.882 -35.205 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.670 18.231 -33.816 1.00 0.00 H new ATOM 0 HB3 GLU A 73 22.042 18.328 -35.449 1.00 0.00 H new ATOM 0 HG2 GLU A 73 24.633 19.662 -34.607 1.00 0.00 H new ATOM 0 HG3 GLU A 73 24.564 18.015 -35.202 1.00 0.00 H new ATOM 1055 N GLY A 74 19.952 20.622 -33.163 1.00 0.00 N ATOM 1056 CA GLY A 74 18.537 20.501 -32.875 1.00 0.00 C ATOM 1057 C GLY A 74 18.155 21.154 -31.565 1.00 0.00 C ATOM 1058 O GLY A 74 17.772 20.477 -30.612 1.00 0.00 O ATOM 0 H GLY A 74 20.467 21.232 -32.528 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.965 20.955 -33.684 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.265 19.446 -32.845 1.00 0.00 H new ATOM 1122 N HIS A 79 21.939 27.168 -29.283 1.00 0.00 N ATOM 1123 CA HIS A 79 22.764 27.052 -28.088 1.00 0.00 C ATOM 1124 C HIS A 79 23.216 25.611 -27.874 1.00 0.00 C ATOM 1125 O HIS A 79 22.397 24.694 -27.816 1.00 0.00 O ATOM 1126 CB HIS A 79 21.990 27.541 -26.861 1.00 0.00 C ATOM 1127 CG HIS A 79 20.931 28.549 -27.185 1.00 0.00 C ATOM 1128 ND1 HIS A 79 19.696 28.568 -26.570 1.00 0.00 N ATOM 1129 CD2 HIS A 79 20.925 29.579 -28.064 1.00 0.00 C ATOM 1130 CE1 HIS A 79 18.977 29.564 -27.059 1.00 0.00 C ATOM 1131 NE2 HIS A 79 19.702 30.193 -27.965 1.00 0.00 N ATOM 0 HA HIS A 79 23.648 27.674 -28.226 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.528 26.686 -26.368 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.691 27.978 -26.150 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.386 27.915 -25.850 1.00 0.00 H new ATOM 0 HD2 HIS A 79 21.733 29.864 -28.721 1.00 0.00 H new ATOM 0 HE1 HIS A 79 17.969 29.819 -26.767 1.00 0.00 H new ATOM 1140 N LEU A 80 24.525 25.420 -27.749 1.00 0.00 N ATOM 1141 CA LEU A 80 25.091 24.096 -27.532 1.00 0.00 C ATOM 1142 C LEU A 80 24.224 23.297 -26.569 1.00 0.00 C ATOM 1143 O LEU A 80 23.830 23.795 -25.516 1.00 0.00 O ATOM 1144 CB LEU A 80 26.504 24.226 -26.972 1.00 0.00 C ATOM 1145 CG LEU A 80 27.594 24.519 -28.004 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.162 25.645 -28.930 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.900 24.870 -27.307 1.00 0.00 C ATOM 0 H LEU A 80 25.215 26.169 -27.795 1.00 0.00 H new ATOM 0 HA LEU A 80 25.127 23.570 -28.486 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.510 25.021 -26.227 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.758 23.302 -26.453 1.00 0.00 H new ATOM 0 HG LEU A 80 27.753 23.624 -28.605 1.00 0.00 H new ATOM 0 HD11 LEU A 80 27.950 25.840 -29.658 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.249 25.357 -29.452 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.977 26.546 -28.345 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.667 25.076 -28.054 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.754 25.752 -26.684 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.216 24.034 -26.684 1.00 0.00 H new ATOM 1159 N TRP A 81 23.924 22.056 -26.937 1.00 0.00 N ATOM 1160 CA TRP A 81 23.096 21.198 -26.102 1.00 0.00 C ATOM 1161 C TRP A 81 23.598 19.759 -26.120 1.00 0.00 C ATOM 1162 O TRP A 81 24.112 19.281 -27.130 1.00 0.00 O ATOM 1163 CB TRP A 81 21.647 21.241 -26.584 1.00 0.00 C ATOM 1164 CG TRP A 81 21.454 20.585 -27.916 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.371 21.204 -29.129 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.326 19.182 -28.169 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.196 20.272 -30.119 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.165 19.023 -29.557 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.332 18.044 -27.358 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.010 17.773 -30.152 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.179 16.803 -27.947 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.020 16.677 -29.333 1.00 0.00 C ATOM 0 H TRP A 81 24.241 21.624 -27.805 1.00 0.00 H new ATOM 0 HA TRP A 81 23.153 21.569 -25.079 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.010 20.750 -25.848 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.321 22.279 -26.646 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.434 22.271 -29.286 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.104 20.476 -31.114 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.454 18.133 -26.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.887 17.673 -31.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.182 15.917 -27.329 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.903 15.694 -29.764 1.00 0.00 H new ATOM 1183 N CYS A 82 23.430 19.071 -24.996 1.00 0.00 N ATOM 1184 CA CYS A 82 23.851 17.681 -24.879 1.00 0.00 C ATOM 1185 C CYS A 82 22.678 16.810 -24.443 1.00 0.00 C ATOM 1186 O CYS A 82 21.549 17.288 -24.339 1.00 0.00 O ATOM 1187 CB CYS A 82 25.010 17.552 -23.889 1.00 0.00 C ATOM 1188 SG CYS A 82 24.508 17.593 -22.139 1.00 0.00 S ATOM 0 H CYS A 82 23.004 19.455 -24.152 1.00 0.00 H new ATOM 0 HA CYS A 82 24.195 17.339 -25.855 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.535 16.617 -24.082 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.719 18.360 -24.071 1.00 0.00 H new ATOM 1193 N SER A 83 22.941 15.532 -24.194 1.00 0.00 N ATOM 1194 CA SER A 83 21.888 14.612 -23.778 1.00 0.00 C ATOM 1195 C SER A 83 22.095 14.153 -22.340 1.00 0.00 C ATOM 1196 O SER A 83 23.195 13.764 -21.956 1.00 0.00 O ATOM 1197 CB SER A 83 21.841 13.401 -24.711 1.00 0.00 C ATOM 1198 OG SER A 83 21.094 12.343 -24.136 1.00 0.00 O ATOM 0 H SER A 83 23.867 15.111 -24.272 1.00 0.00 H new ATOM 0 HA SER A 83 20.938 15.143 -23.834 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.396 13.689 -25.663 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.855 13.061 -24.923 1.00 0.00 H new ATOM 0 HG SER A 83 21.133 11.559 -24.722 1.00 0.00 H new ATOM 1204 N THR A 84 21.028 14.195 -21.549 1.00 0.00 N ATOM 1205 CA THR A 84 21.092 13.775 -20.155 1.00 0.00 C ATOM 1206 C THR A 84 20.727 12.302 -20.018 1.00 0.00 C ATOM 1207 O THR A 84 21.156 11.626 -19.082 1.00 0.00 O ATOM 1208 CB THR A 84 20.153 14.613 -19.268 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.788 14.349 -19.613 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.442 16.098 -19.423 1.00 0.00 C ATOM 0 H THR A 84 20.108 14.516 -21.850 1.00 0.00 H new ATOM 0 HA THR A 84 22.118 13.929 -19.821 1.00 0.00 H new ATOM 0 HB THR A 84 20.326 14.333 -18.229 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.643 14.559 -20.559 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.766 16.669 -18.786 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.472 16.301 -19.131 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.295 16.391 -20.463 1.00 0.00 H new ATOM 1218 N THR A 85 19.938 11.809 -20.968 1.00 0.00 N ATOM 1219 CA THR A 85 19.517 10.414 -20.971 1.00 0.00 C ATOM 1220 C THR A 85 19.983 9.715 -22.244 1.00 0.00 C ATOM 1221 O THR A 85 19.838 10.248 -23.343 1.00 0.00 O ATOM 1222 CB THR A 85 17.985 10.287 -20.860 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.527 10.912 -19.654 1.00 0.00 O ATOM 1224 CG2 THR A 85 17.556 8.826 -20.874 1.00 0.00 C ATOM 0 H THR A 85 19.577 12.358 -21.748 1.00 0.00 H new ATOM 0 HA THR A 85 19.973 9.938 -20.103 1.00 0.00 H new ATOM 0 HB THR A 85 17.540 10.786 -21.721 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.553 10.828 -19.592 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.471 8.765 -20.794 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.878 8.361 -21.806 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.012 8.305 -20.032 1.00 0.00 H new ATOM 1232 N SER A 86 20.544 8.520 -22.089 1.00 0.00 N ATOM 1233 CA SER A 86 21.030 7.755 -23.232 1.00 0.00 C ATOM 1234 C SER A 86 19.951 7.638 -24.301 1.00 0.00 C ATOM 1235 O SER A 86 20.234 7.716 -25.497 1.00 0.00 O ATOM 1236 CB SER A 86 21.481 6.361 -22.789 1.00 0.00 C ATOM 1237 OG SER A 86 22.235 5.719 -23.803 1.00 0.00 O ATOM 0 H SER A 86 20.673 8.062 -21.187 1.00 0.00 H new ATOM 0 HA SER A 86 21.883 8.284 -23.656 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.081 6.441 -21.882 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.609 5.755 -22.542 1.00 0.00 H new ATOM 0 HG SER A 86 22.511 4.831 -23.493 1.00 0.00 H new ATOM 1243 N ASN A 87 18.712 7.451 -23.861 1.00 0.00 N ATOM 1244 CA ASN A 87 17.586 7.323 -24.776 1.00 0.00 C ATOM 1245 C ASN A 87 16.891 8.666 -24.976 1.00 0.00 C ATOM 1246 O ASN A 87 15.798 8.892 -24.456 1.00 0.00 O ATOM 1247 CB ASN A 87 16.587 6.294 -24.243 1.00 0.00 C ATOM 1248 CG ASN A 87 15.864 5.560 -25.356 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.061 5.849 -26.536 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.021 4.605 -24.983 1.00 0.00 N ATOM 0 H ASN A 87 18.462 7.385 -22.874 1.00 0.00 H new ATOM 0 HA ASN A 87 17.968 6.986 -25.739 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.112 5.573 -23.617 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.857 6.796 -23.608 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.505 4.077 -25.687 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.889 4.399 -23.993 1.00 0.00 H new ATOM 1257 N TYR A 88 17.527 9.552 -25.736 1.00 0.00 N ATOM 1258 CA TYR A 88 16.960 10.867 -26.005 1.00 0.00 C ATOM 1259 C TYR A 88 15.807 10.754 -26.992 1.00 0.00 C ATOM 1260 O TYR A 88 14.878 11.561 -26.974 1.00 0.00 O ATOM 1261 CB TYR A 88 18.031 11.809 -26.557 1.00 0.00 C ATOM 1262 CG TYR A 88 17.462 13.040 -27.226 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.811 12.950 -28.450 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.577 14.292 -26.635 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.289 14.072 -29.065 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.057 15.418 -27.243 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.415 15.303 -28.458 1.00 0.00 C ATOM 1268 OH TYR A 88 15.896 16.423 -29.066 1.00 0.00 O ATOM 0 H TYR A 88 18.432 9.383 -26.175 1.00 0.00 H new ATOM 0 HA TYR A 88 16.583 11.277 -25.068 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.687 12.118 -25.743 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.647 11.266 -27.275 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.711 11.987 -28.929 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.081 14.386 -25.685 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.785 13.985 -30.016 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.153 16.384 -26.769 1.00 0.00 H new ATOM 0 HH TYR A 88 16.393 16.607 -29.890 1.00 0.00 H new ATOM 1278 N GLU A 89 15.872 9.741 -27.851 1.00 0.00 N ATOM 1279 CA GLU A 89 14.833 9.516 -28.844 1.00 0.00 C ATOM 1280 C GLU A 89 13.516 9.155 -28.165 1.00 0.00 C ATOM 1281 O GLU A 89 12.445 9.264 -28.763 1.00 0.00 O ATOM 1282 CB GLU A 89 15.247 8.406 -29.811 1.00 0.00 C ATOM 1283 CG GLU A 89 16.429 8.776 -30.692 1.00 0.00 C ATOM 1284 CD GLU A 89 17.320 7.588 -31.002 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.824 6.444 -30.947 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.514 7.804 -31.300 1.00 0.00 O ATOM 0 H GLU A 89 16.635 9.064 -27.877 1.00 0.00 H new ATOM 0 HA GLU A 89 14.695 10.438 -29.409 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.496 7.512 -29.239 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.397 8.152 -30.445 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.062 9.204 -31.625 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.018 9.548 -30.198 1.00 0.00 H new ATOM 1293 N GLN A 90 13.606 8.724 -26.910 1.00 0.00 N ATOM 1294 CA GLN A 90 12.428 8.347 -26.141 1.00 0.00 C ATOM 1295 C GLN A 90 12.181 9.348 -25.014 1.00 0.00 C ATOM 1296 O GLN A 90 11.050 9.776 -24.785 1.00 0.00 O ATOM 1297 CB GLN A 90 12.599 6.926 -25.581 1.00 0.00 C ATOM 1298 CG GLN A 90 12.014 6.723 -24.190 1.00 0.00 C ATOM 1299 CD GLN A 90 10.498 6.704 -24.191 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.858 7.209 -25.113 1.00 0.00 O ATOM 1301 NE2 GLN A 90 9.913 6.119 -23.151 1.00 0.00 N ATOM 0 H GLN A 90 14.486 8.628 -26.404 1.00 0.00 H new ATOM 0 HA GLN A 90 11.559 8.359 -26.799 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.129 6.220 -26.266 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.662 6.685 -25.554 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.385 5.785 -23.777 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.363 7.520 -23.533 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.482 5.713 -22.408 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.895 6.076 -23.096 1.00 0.00 H new ATOM 1310 N ASP A 91 13.249 9.714 -24.316 1.00 0.00 N ATOM 1311 CA ASP A 91 13.153 10.665 -23.213 1.00 0.00 C ATOM 1312 C ASP A 91 13.099 12.096 -23.736 1.00 0.00 C ATOM 1313 O ASP A 91 12.234 12.879 -23.344 1.00 0.00 O ATOM 1314 CB ASP A 91 14.344 10.501 -22.268 1.00 0.00 C ATOM 1315 CG ASP A 91 14.121 9.409 -21.240 1.00 0.00 C ATOM 1316 OD1 ASP A 91 14.399 8.232 -21.554 1.00 0.00 O ATOM 1317 OD2 ASP A 91 13.671 9.731 -20.120 1.00 0.00 O ATOM 0 H ASP A 91 14.192 9.367 -24.493 1.00 0.00 H new ATOM 0 HA ASP A 91 12.233 10.460 -22.666 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.237 10.272 -22.850 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.531 11.445 -21.756 1.00 0.00 H new ATOM 1322 N GLN A 92 14.030 12.429 -24.625 1.00 0.00 N ATOM 1323 CA GLN A 92 14.091 13.766 -25.206 1.00 0.00 C ATOM 1324 C GLN A 92 14.542 14.793 -24.173 1.00 0.00 C ATOM 1325 O GLN A 92 14.133 15.954 -24.218 1.00 0.00 O ATOM 1326 CB GLN A 92 12.727 14.161 -25.775 1.00 0.00 C ATOM 1327 CG GLN A 92 12.815 14.911 -27.094 1.00 0.00 C ATOM 1328 CD GLN A 92 12.826 13.982 -28.292 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.790 13.251 -28.517 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.750 14.007 -29.069 1.00 0.00 N ATOM 0 H GLN A 92 14.753 11.791 -24.959 1.00 0.00 H new ATOM 0 HA GLN A 92 14.823 13.748 -26.014 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.127 13.262 -25.917 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.204 14.782 -25.047 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.970 15.594 -27.176 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.719 15.520 -27.102 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.973 14.629 -28.845 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.700 13.404 -29.890 1.00 0.00 H new ATOM 1339 N LYS A 93 15.389 14.360 -23.243 1.00 0.00 N ATOM 1340 CA LYS A 93 15.897 15.245 -22.200 1.00 0.00 C ATOM 1341 C LYS A 93 17.292 15.750 -22.554 1.00 0.00 C ATOM 1342 O LYS A 93 18.271 15.010 -22.468 1.00 0.00 O ATOM 1343 CB LYS A 93 15.929 14.517 -20.855 1.00 0.00 C ATOM 1344 CG LYS A 93 14.576 14.454 -20.165 1.00 0.00 C ATOM 1345 CD LYS A 93 13.439 14.362 -21.172 1.00 0.00 C ATOM 1346 CE LYS A 93 12.126 13.995 -20.497 1.00 0.00 C ATOM 1347 NZ LYS A 93 12.013 14.594 -19.138 1.00 0.00 N ATOM 0 H LYS A 93 15.737 13.403 -23.191 1.00 0.00 H new ATOM 0 HA LYS A 93 15.227 16.102 -22.123 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.297 13.502 -21.009 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.640 15.017 -20.197 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.545 13.591 -19.501 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.442 15.339 -19.544 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.330 15.316 -21.688 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.681 13.616 -21.929 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.294 14.334 -21.114 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.047 12.910 -20.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.020 14.571 -18.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.596 14.050 -18.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.345 15.579 -19.164 1.00 0.00 H new ATOM 1361 N TYR A 94 17.375 17.014 -22.958 1.00 0.00 N ATOM 1362 CA TYR A 94 18.652 17.613 -23.330 1.00 0.00 C ATOM 1363 C TYR A 94 18.944 18.859 -22.503 1.00 0.00 C ATOM 1364 O TYR A 94 18.046 19.448 -21.902 1.00 0.00 O ATOM 1365 CB TYR A 94 18.657 17.970 -24.818 1.00 0.00 C ATOM 1366 CG TYR A 94 17.941 19.266 -25.136 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.505 20.495 -24.813 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.699 19.259 -25.760 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.851 21.681 -25.103 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.041 20.438 -26.054 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.620 21.644 -25.723 1.00 0.00 C ATOM 1372 OH TYR A 94 15.966 22.820 -26.014 1.00 0.00 O ATOM 0 H TYR A 94 16.575 17.642 -23.036 1.00 0.00 H new ATOM 0 HA TYR A 94 19.432 16.879 -23.130 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.689 18.042 -25.162 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.190 17.160 -25.378 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.469 20.525 -24.328 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.241 18.316 -26.019 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.302 22.628 -24.845 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.077 20.414 -26.541 1.00 0.00 H new ATOM 0 HH TYR A 94 15.112 22.620 -26.451 1.00 0.00 H new ATOM 1382 N SER A 95 20.211 19.259 -22.489 1.00 0.00 N ATOM 1383 CA SER A 95 20.638 20.442 -21.751 1.00 0.00 C ATOM 1384 C SER A 95 21.427 21.374 -22.664 1.00 0.00 C ATOM 1385 O SER A 95 21.454 21.181 -23.879 1.00 0.00 O ATOM 1386 CB SER A 95 21.492 20.039 -20.546 1.00 0.00 C ATOM 1387 OG SER A 95 22.047 18.748 -20.722 1.00 0.00 O ATOM 0 H SER A 95 20.963 18.779 -22.983 1.00 0.00 H new ATOM 0 HA SER A 95 19.753 20.966 -21.391 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.292 20.766 -20.404 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.882 20.056 -19.643 1.00 0.00 H new ATOM 0 HG SER A 95 22.856 18.812 -21.271 1.00 0.00 H new ATOM 1393 N PHE A 96 22.069 22.380 -22.082 1.00 0.00 N ATOM 1394 CA PHE A 96 22.853 23.325 -22.868 1.00 0.00 C ATOM 1395 C PHE A 96 24.344 23.139 -22.614 1.00 0.00 C ATOM 1396 O PHE A 96 24.746 22.241 -21.874 1.00 0.00 O ATOM 1397 CB PHE A 96 22.420 24.759 -22.566 1.00 0.00 C ATOM 1398 CG PHE A 96 21.189 25.164 -23.326 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.037 24.801 -24.655 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.182 25.892 -22.714 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.906 25.158 -25.361 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.044 26.250 -23.416 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.908 25.882 -24.741 1.00 0.00 C ATOM 0 H PHE A 96 22.063 22.562 -21.078 1.00 0.00 H new ATOM 0 HA PHE A 96 22.669 23.128 -23.924 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.232 24.860 -21.497 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.235 25.440 -22.812 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.813 24.232 -25.144 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.286 26.183 -21.679 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.802 24.871 -26.397 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.264 26.816 -22.929 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.021 26.161 -25.291 1.00 0.00 H new ATOM 1413 N CYS A 97 25.167 23.970 -23.250 1.00 0.00 N ATOM 1414 CA CYS A 97 26.614 23.860 -23.097 1.00 0.00 C ATOM 1415 C CYS A 97 27.330 25.153 -23.470 1.00 0.00 C ATOM 1416 O CYS A 97 27.715 25.343 -24.622 1.00 0.00 O ATOM 1417 CB CYS A 97 27.133 22.728 -23.981 1.00 0.00 C ATOM 1418 SG CYS A 97 27.587 21.215 -23.080 1.00 0.00 S ATOM 0 H CYS A 97 24.860 24.719 -23.870 1.00 0.00 H new ATOM 0 HA CYS A 97 26.820 23.654 -22.047 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.370 22.481 -24.719 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.004 23.084 -24.531 1.00 0.00 H new ATOM 1423 N THR A 98 27.531 26.034 -22.498 1.00 0.00 N ATOM 1424 CA THR A 98 28.227 27.286 -22.760 1.00 0.00 C ATOM 1425 C THR A 98 29.509 27.025 -23.546 1.00 0.00 C ATOM 1426 O THR A 98 29.841 25.875 -23.835 1.00 0.00 O ATOM 1427 CB THR A 98 28.575 28.031 -21.457 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.623 28.977 -21.698 1.00 0.00 O ATOM 1429 CG2 THR A 98 29.007 27.055 -20.375 1.00 0.00 C ATOM 0 H THR A 98 27.226 25.907 -21.533 1.00 0.00 H new ATOM 0 HA THR A 98 27.554 27.913 -23.345 1.00 0.00 H new ATOM 0 HB THR A 98 27.683 28.556 -21.116 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.837 29.447 -20.865 1.00 0.00 H new ATOM 0 HG21 THR A 98 29.248 27.604 -19.465 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.197 26.354 -20.173 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.887 26.506 -20.711 1.00 0.00 H new