USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=30 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 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.538 K(o=-0.54,f=-1.6!) USER MOD Set 2.1: A 85 THR OG1 : rot -120:sc= -3.87! USER MOD Set 2.2: A 93 LYS NZ :NH3+ -156:sc= 0.418! (180deg=0) USER MOD Set 3.1: A 51 SER OG : rot -160:sc= 0 USER MOD Set 3.2: A 84 THR OG1 : rot -58:sc= -6.86! USER MOD Set 4.1: A 50 ASN : amide:sc= -0.775 X(o=-0.77,f=-0.41) USER MOD Set 4.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 17 GLN : amide:sc= 0.0558 X(o=-0.24,f=-0.35) USER MOD Set 5.2: A 30 THR OG1 : rot 180:sc= -0.295 USER MOD Set 6.1: A 3 HIS :FLIP no HE2:sc= 0.402 F(o=-1,f=0.67) USER MOD Set 6.2: A 13 SER OG : rot 2:sc= 0.263 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -128:sc= 0.826 USER MOD Single : A 16 MET CE :methyl -146:sc= -0.128 (180deg=-0.21) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.011) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -3.2 F(o=-4.5!,f=-3.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.168 F(o=-0.67,f=-0.17) USER MOD Single : A 45 GLN : amide:sc= -0.0164 K(o=-0.016,f=-0.6) USER MOD Single : A 46 THR OG1 : rot 0:sc= 0.839 USER MOD Single : A 47 TYR OH : rot -158:sc= 0.586 USER MOD Single : A 52 ASN : amide:sc= -0.0547 X(o=-0.055,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.304 USER MOD Single : A 63 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 142:sc= 0.261 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00221 USER MOD Single : A 71 THR OG1 : rot 149:sc= 1.62 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 79 HIS : no HE2:sc= -0.259 K(o=-0.26,f=-2!) USER MOD Single : A 83 SER OG : rot 180:sc= -2.67! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.0093) USER MOD Single : A 90 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.9) USER MOD Single : A 95 SER OG : rot -89:sc= 1.1! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 42.397 2.897 -42.119 1.00 0.00 N ATOM 32 CA HIS A 3 41.709 2.527 -40.890 1.00 0.00 C ATOM 33 C HIS A 3 42.594 2.788 -39.677 1.00 0.00 C ATOM 34 O HIS A 3 43.799 2.542 -39.712 1.00 0.00 O ATOM 35 CB HIS A 3 41.311 1.052 -40.937 1.00 0.00 C ATOM 36 CG HIS A 3 39.926 0.816 -41.453 1.00 0.00 C ATOM 37 ND1 HIS A 3 38.727 0.846 -40.824 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 39.658 0.500 -42.768 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 37.769 0.551 -41.761 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 38.355 0.347 -42.926 1.00 0.00 N flip ATOM 0 HA HIS A 3 40.811 3.138 -40.801 1.00 0.00 H new ATOM 0 HB2 HIS A 3 42.020 0.514 -41.567 1.00 0.00 H new ATOM 0 HB3 HIS A 3 41.392 0.631 -39.935 1.00 0.00 H new ATOM 0 HD1 HIS A 3 38.566 1.050 -39.838 1.00 0.00 H new ATOM 0 HD2 HIS A 3 40.398 0.394 -43.548 1.00 0.00 H new ATOM 0 HE1 HIS A 3 36.707 0.495 -41.575 1.00 0.00 H new ATOM 49 N CYS A 4 41.988 3.277 -38.600 1.00 0.00 N ATOM 50 CA CYS A 4 42.729 3.558 -37.373 1.00 0.00 C ATOM 51 C CYS A 4 42.510 2.444 -36.354 1.00 0.00 C ATOM 52 O CYS A 4 41.489 1.761 -36.381 1.00 0.00 O ATOM 53 CB CYS A 4 42.321 4.913 -36.775 1.00 0.00 C ATOM 54 SG CYS A 4 40.746 5.583 -37.412 1.00 0.00 S ATOM 0 H CYS A 4 40.991 3.486 -38.550 1.00 0.00 H new ATOM 0 HA CYS A 4 43.789 3.605 -37.624 1.00 0.00 H new ATOM 0 HB2 CYS A 4 42.245 4.809 -35.693 1.00 0.00 H new ATOM 0 HB3 CYS A 4 43.114 5.635 -36.971 1.00 0.00 H new ATOM 59 N VAL A 5 43.477 2.258 -35.464 1.00 0.00 N ATOM 60 CA VAL A 5 43.383 1.217 -34.448 1.00 0.00 C ATOM 61 C VAL A 5 44.144 1.605 -33.186 1.00 0.00 C ATOM 62 O VAL A 5 45.297 2.031 -33.250 1.00 0.00 O ATOM 63 CB VAL A 5 43.930 -0.124 -34.970 1.00 0.00 C ATOM 64 CG1 VAL A 5 43.631 -1.246 -33.987 1.00 0.00 C ATOM 65 CG2 VAL A 5 43.351 -0.438 -36.342 1.00 0.00 C ATOM 0 H VAL A 5 44.332 2.812 -35.425 1.00 0.00 H new ATOM 0 HA VAL A 5 42.326 1.105 -34.209 1.00 0.00 H new ATOM 0 HB VAL A 5 45.012 -0.040 -35.067 1.00 0.00 H new ATOM 0 HG11 VAL A 5 44.026 -2.185 -34.375 1.00 0.00 H new ATOM 0 HG12 VAL A 5 44.099 -1.024 -33.028 1.00 0.00 H new ATOM 0 HG13 VAL A 5 42.553 -1.334 -33.852 1.00 0.00 H new ATOM 0 HG21 VAL A 5 43.749 -1.389 -36.696 1.00 0.00 H new ATOM 0 HG22 VAL A 5 42.265 -0.502 -36.273 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.624 0.352 -37.042 1.00 0.00 H new ATOM 75 N THR A 6 43.490 1.452 -32.041 1.00 0.00 N ATOM 76 CA THR A 6 44.102 1.782 -30.761 1.00 0.00 C ATOM 77 C THR A 6 45.035 0.668 -30.294 1.00 0.00 C ATOM 78 O THR A 6 45.661 0.771 -29.239 1.00 0.00 O ATOM 79 CB THR A 6 43.036 2.029 -29.678 1.00 0.00 C ATOM 80 OG1 THR A 6 42.330 0.815 -29.398 1.00 0.00 O ATOM 81 CG2 THR A 6 42.052 3.101 -30.122 1.00 0.00 C ATOM 0 H THR A 6 42.535 1.101 -31.973 1.00 0.00 H new ATOM 0 HA THR A 6 44.677 2.696 -30.911 1.00 0.00 H new ATOM 0 HB THR A 6 43.541 2.372 -28.775 1.00 0.00 H new ATOM 0 HG1 THR A 6 41.655 0.981 -28.707 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.308 3.258 -29.341 1.00 0.00 H new ATOM 0 HG22 THR A 6 42.587 4.032 -30.306 1.00 0.00 H new ATOM 0 HG23 THR A 6 41.554 2.781 -31.038 1.00 0.00 H new ATOM 89 N ASP A 7 45.124 -0.397 -31.087 1.00 0.00 N ATOM 90 CA ASP A 7 45.982 -1.529 -30.753 1.00 0.00 C ATOM 91 C ASP A 7 45.318 -2.431 -29.716 1.00 0.00 C ATOM 92 O ASP A 7 45.933 -3.375 -29.218 1.00 0.00 O ATOM 93 CB ASP A 7 47.330 -1.035 -30.228 1.00 0.00 C ATOM 94 CG ASP A 7 48.496 -1.556 -31.044 1.00 0.00 C ATOM 95 OD1 ASP A 7 48.366 -2.650 -31.634 1.00 0.00 O ATOM 96 OD2 ASP A 7 49.540 -0.872 -31.095 1.00 0.00 O ATOM 0 H ASP A 7 44.613 -0.499 -31.964 1.00 0.00 H new ATOM 0 HA ASP A 7 46.143 -2.110 -31.661 1.00 0.00 H new ATOM 0 HB2 ASP A 7 47.343 0.055 -30.237 1.00 0.00 H new ATOM 0 HB3 ASP A 7 47.449 -1.347 -29.190 1.00 0.00 H new ATOM 101 N SER A 8 44.063 -2.136 -29.394 1.00 0.00 N ATOM 102 CA SER A 8 43.321 -2.923 -28.416 1.00 0.00 C ATOM 103 C SER A 8 42.263 -3.787 -29.097 1.00 0.00 C ATOM 104 O SER A 8 41.687 -4.682 -28.480 1.00 0.00 O ATOM 105 CB SER A 8 42.661 -2.003 -27.387 1.00 0.00 C ATOM 106 OG SER A 8 43.479 -1.849 -26.241 1.00 0.00 O ATOM 0 H SER A 8 43.539 -1.359 -29.796 1.00 0.00 H new ATOM 0 HA SER A 8 44.026 -3.581 -27.908 1.00 0.00 H new ATOM 0 HB2 SER A 8 42.471 -1.028 -27.836 1.00 0.00 H new ATOM 0 HB3 SER A 8 41.694 -2.413 -27.095 1.00 0.00 H new ATOM 0 HG SER A 8 43.035 -1.255 -25.600 1.00 0.00 H new ATOM 112 N GLY A 9 42.012 -3.512 -30.374 1.00 0.00 N ATOM 113 CA GLY A 9 41.024 -4.273 -31.116 1.00 0.00 C ATOM 114 C GLY A 9 40.038 -3.387 -31.851 1.00 0.00 C ATOM 115 O GLY A 9 39.356 -3.836 -32.772 1.00 0.00 O ATOM 0 H GLY A 9 42.475 -2.776 -30.907 1.00 0.00 H new ATOM 0 HA2 GLY A 9 41.531 -4.919 -31.833 1.00 0.00 H new ATOM 0 HA3 GLY A 9 40.481 -4.923 -30.430 1.00 0.00 H new ATOM 119 N VAL A 10 39.962 -2.124 -31.445 1.00 0.00 N ATOM 120 CA VAL A 10 39.052 -1.173 -32.072 1.00 0.00 C ATOM 121 C VAL A 10 39.601 -0.690 -33.410 1.00 0.00 C ATOM 122 O VAL A 10 40.625 -0.009 -33.463 1.00 0.00 O ATOM 123 CB VAL A 10 38.797 0.046 -31.164 1.00 0.00 C ATOM 124 CG1 VAL A 10 37.378 0.562 -31.348 1.00 0.00 C ATOM 125 CG2 VAL A 10 39.057 -0.309 -29.707 1.00 0.00 C ATOM 0 H VAL A 10 40.520 -1.735 -30.685 1.00 0.00 H new ATOM 0 HA VAL A 10 38.110 -1.697 -32.235 1.00 0.00 H new ATOM 0 HB VAL A 10 39.488 0.839 -31.450 1.00 0.00 H new ATOM 0 HG11 VAL A 10 37.217 1.423 -30.699 1.00 0.00 H new ATOM 0 HG12 VAL A 10 37.230 0.858 -32.387 1.00 0.00 H new ATOM 0 HG13 VAL A 10 36.669 -0.225 -31.091 1.00 0.00 H new ATOM 0 HG21 VAL A 10 38.872 0.564 -29.081 1.00 0.00 H new ATOM 0 HG22 VAL A 10 38.393 -1.119 -29.406 1.00 0.00 H new ATOM 0 HG23 VAL A 10 40.093 -0.627 -29.589 1.00 0.00 H new ATOM 135 N VAL A 11 38.915 -1.051 -34.490 1.00 0.00 N ATOM 136 CA VAL A 11 39.335 -0.658 -35.829 1.00 0.00 C ATOM 137 C VAL A 11 38.555 0.556 -36.322 1.00 0.00 C ATOM 138 O VAL A 11 37.492 0.421 -36.929 1.00 0.00 O ATOM 139 CB VAL A 11 39.158 -1.810 -36.836 1.00 0.00 C ATOM 140 CG1 VAL A 11 39.900 -1.509 -38.129 1.00 0.00 C ATOM 141 CG2 VAL A 11 39.636 -3.123 -36.233 1.00 0.00 C ATOM 0 H VAL A 11 38.066 -1.615 -34.463 1.00 0.00 H new ATOM 0 HA VAL A 11 40.392 -0.402 -35.762 1.00 0.00 H new ATOM 0 HB VAL A 11 38.097 -1.906 -37.067 1.00 0.00 H new ATOM 0 HG11 VAL A 11 39.763 -2.334 -38.828 1.00 0.00 H new ATOM 0 HG12 VAL A 11 39.507 -0.592 -38.569 1.00 0.00 H new ATOM 0 HG13 VAL A 11 40.962 -1.384 -37.918 1.00 0.00 H new ATOM 0 HG21 VAL A 11 39.504 -3.926 -36.958 1.00 0.00 H new ATOM 0 HG22 VAL A 11 40.691 -3.041 -35.971 1.00 0.00 H new ATOM 0 HG23 VAL A 11 39.056 -3.344 -35.337 1.00 0.00 H new ATOM 151 N TYR A 12 39.094 1.742 -36.060 1.00 0.00 N ATOM 152 CA TYR A 12 38.457 2.985 -36.477 1.00 0.00 C ATOM 153 C TYR A 12 38.802 3.309 -37.926 1.00 0.00 C ATOM 154 O TYR A 12 39.482 2.536 -38.601 1.00 0.00 O ATOM 155 CB TYR A 12 38.901 4.135 -35.571 1.00 0.00 C ATOM 156 CG TYR A 12 38.375 4.032 -34.160 1.00 0.00 C ATOM 157 CD1 TYR A 12 37.049 4.323 -33.870 1.00 0.00 C ATOM 158 CD2 TYR A 12 39.205 3.639 -33.120 1.00 0.00 C ATOM 159 CE1 TYR A 12 36.565 4.226 -32.579 1.00 0.00 C ATOM 160 CE2 TYR A 12 38.729 3.539 -31.826 1.00 0.00 C ATOM 161 CZ TYR A 12 37.409 3.833 -31.561 1.00 0.00 C ATOM 162 OH TYR A 12 36.930 3.734 -30.276 1.00 0.00 O ATOM 0 H TYR A 12 39.974 1.868 -35.559 1.00 0.00 H new ATOM 0 HA TYR A 12 37.377 2.859 -36.395 1.00 0.00 H new ATOM 0 HB2 TYR A 12 39.990 4.164 -35.542 1.00 0.00 H new ATOM 0 HB3 TYR A 12 38.569 5.078 -36.006 1.00 0.00 H new ATOM 0 HD1 TYR A 12 36.386 4.630 -34.665 1.00 0.00 H new ATOM 0 HD2 TYR A 12 40.240 3.407 -33.325 1.00 0.00 H new ATOM 0 HE1 TYR A 12 35.531 4.457 -32.368 1.00 0.00 H new ATOM 0 HE2 TYR A 12 39.388 3.232 -31.027 1.00 0.00 H new ATOM 0 HH TYR A 12 37.507 4.246 -29.671 1.00 0.00 H new ATOM 172 N SER A 13 38.334 4.459 -38.399 1.00 0.00 N ATOM 173 CA SER A 13 38.599 4.888 -39.767 1.00 0.00 C ATOM 174 C SER A 13 39.121 6.318 -39.799 1.00 0.00 C ATOM 175 O SER A 13 38.639 7.180 -39.066 1.00 0.00 O ATOM 176 CB SER A 13 37.332 4.774 -40.616 1.00 0.00 C ATOM 177 OG SER A 13 37.166 3.457 -41.113 1.00 0.00 O ATOM 0 H SER A 13 37.769 5.111 -37.855 1.00 0.00 H new ATOM 0 HA SER A 13 39.365 4.233 -40.183 1.00 0.00 H new ATOM 0 HB2 SER A 13 36.464 5.052 -40.018 1.00 0.00 H new ATOM 0 HB3 SER A 13 37.384 5.476 -41.448 1.00 0.00 H new ATOM 0 HG SER A 13 37.888 2.886 -40.775 1.00 0.00 H new ATOM 183 N VAL A 14 40.114 6.558 -40.650 1.00 0.00 N ATOM 184 CA VAL A 14 40.717 7.879 -40.783 1.00 0.00 C ATOM 185 C VAL A 14 39.688 8.987 -40.579 1.00 0.00 C ATOM 186 O VAL A 14 39.065 9.454 -41.532 1.00 0.00 O ATOM 187 CB VAL A 14 41.381 8.058 -42.162 1.00 0.00 C ATOM 188 CG1 VAL A 14 40.460 7.566 -43.268 1.00 0.00 C ATOM 189 CG2 VAL A 14 41.768 9.511 -42.387 1.00 0.00 C ATOM 0 H VAL A 14 40.520 5.849 -41.261 1.00 0.00 H new ATOM 0 HA VAL A 14 41.478 7.953 -40.007 1.00 0.00 H new ATOM 0 HB VAL A 14 42.291 7.458 -42.185 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.947 7.701 -44.234 1.00 0.00 H new ATOM 0 HG12 VAL A 14 40.242 6.509 -43.116 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.531 8.135 -43.248 1.00 0.00 H new ATOM 0 HG21 VAL A 14 42.235 9.616 -43.366 1.00 0.00 H new ATOM 0 HG22 VAL A 14 40.876 10.136 -42.342 1.00 0.00 H new ATOM 0 HG23 VAL A 14 42.470 9.824 -41.615 1.00 0.00 H new ATOM 199 N GLY A 15 39.522 9.404 -39.329 1.00 0.00 N ATOM 200 CA GLY A 15 38.575 10.458 -39.015 1.00 0.00 C ATOM 201 C GLY A 15 37.263 9.927 -38.477 1.00 0.00 C ATOM 202 O GLY A 15 36.191 10.300 -38.956 1.00 0.00 O ATOM 0 H GLY A 15 40.027 9.030 -38.526 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.018 11.131 -38.281 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.383 11.047 -39.912 1.00 0.00 H new ATOM 206 N MET A 16 37.345 9.057 -37.478 1.00 0.00 N ATOM 207 CA MET A 16 36.153 8.476 -36.872 1.00 0.00 C ATOM 208 C MET A 16 35.942 9.018 -35.463 1.00 0.00 C ATOM 209 O MET A 16 34.808 9.159 -35.005 1.00 0.00 O ATOM 210 CB MET A 16 36.268 6.953 -36.832 1.00 0.00 C ATOM 211 CG MET A 16 35.276 6.243 -37.739 1.00 0.00 C ATOM 212 SD MET A 16 33.901 5.514 -36.828 1.00 0.00 S ATOM 213 CE MET A 16 34.401 3.795 -36.778 1.00 0.00 C ATOM 0 H MET A 16 38.224 8.738 -37.070 1.00 0.00 H new ATOM 0 HA MET A 16 35.293 8.753 -37.482 1.00 0.00 H new ATOM 0 HB2 MET A 16 37.280 6.666 -37.119 1.00 0.00 H new ATOM 0 HB3 MET A 16 36.119 6.613 -35.807 1.00 0.00 H new ATOM 0 HG2 MET A 16 34.887 6.951 -38.471 1.00 0.00 H new ATOM 0 HG3 MET A 16 35.793 5.461 -38.295 1.00 0.00 H new ATOM 0 HE1 MET A 16 33.518 3.158 -36.829 1.00 0.00 H new ATOM 0 HE2 MET A 16 35.052 3.581 -37.625 1.00 0.00 H new ATOM 0 HE3 MET A 16 34.937 3.599 -35.850 1.00 0.00 H new ATOM 223 N GLN A 17 37.041 9.316 -34.778 1.00 0.00 N ATOM 224 CA GLN A 17 36.976 9.836 -33.418 1.00 0.00 C ATOM 225 C GLN A 17 36.216 8.875 -32.511 1.00 0.00 C ATOM 226 O GLN A 17 35.319 8.162 -32.961 1.00 0.00 O ATOM 227 CB GLN A 17 36.301 11.209 -33.405 1.00 0.00 C ATOM 228 CG GLN A 17 37.155 12.313 -34.008 1.00 0.00 C ATOM 229 CD GLN A 17 36.641 13.699 -33.664 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.914 14.314 -34.445 1.00 0.00 O ATOM 231 NE2 GLN A 17 37.019 14.197 -32.494 1.00 0.00 N ATOM 0 H GLN A 17 37.987 9.206 -35.143 1.00 0.00 H new ATOM 0 HA GLN A 17 37.994 9.938 -33.043 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.361 11.148 -33.953 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.053 11.473 -32.377 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.180 12.210 -33.652 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.181 12.197 -35.092 1.00 0.00 H new ATOM 0 HE21 GLN A 17 37.622 13.652 -31.879 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.706 15.125 -32.210 1.00 0.00 H new ATOM 240 N TRP A 18 36.576 8.860 -31.233 1.00 0.00 N ATOM 241 CA TRP A 18 35.920 7.982 -30.274 1.00 0.00 C ATOM 242 C TRP A 18 36.210 8.414 -28.840 1.00 0.00 C ATOM 243 O TRP A 18 36.687 9.523 -28.600 1.00 0.00 O ATOM 244 CB TRP A 18 36.361 6.533 -30.495 1.00 0.00 C ATOM 245 CG TRP A 18 37.828 6.306 -30.284 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.448 6.004 -29.106 1.00 0.00 C ATOM 247 CD2 TRP A 18 38.860 6.352 -31.280 1.00 0.00 C ATOM 248 NE1 TRP A 18 39.799 5.860 -29.306 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.077 6.070 -30.632 1.00 0.00 C ATOM 250 CE3 TRP A 18 38.873 6.606 -32.656 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.292 6.034 -31.313 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.080 6.570 -33.329 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.273 6.285 -32.658 1.00 0.00 C ATOM 0 H TRP A 18 37.315 9.443 -30.839 1.00 0.00 H new ATOM 0 HA TRP A 18 34.844 8.052 -30.433 1.00 0.00 H new ATOM 0 HB2 TRP A 18 35.802 5.886 -29.819 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.099 6.235 -31.510 1.00 0.00 H new ATOM 0 HD1 TRP A 18 37.949 5.894 -28.155 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.484 5.634 -28.585 1.00 0.00 H new ATOM 0 HE3 TRP A 18 37.956 6.826 -33.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.216 5.816 -30.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.102 6.765 -34.391 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.199 6.262 -33.213 1.00 0.00 H new ATOM 264 N LEU A 19 35.913 7.532 -27.891 1.00 0.00 N ATOM 265 CA LEU A 19 36.134 7.819 -26.478 1.00 0.00 C ATOM 266 C LEU A 19 37.038 6.764 -25.853 1.00 0.00 C ATOM 267 O LEU A 19 36.704 5.579 -25.838 1.00 0.00 O ATOM 268 CB LEU A 19 34.801 7.868 -25.725 1.00 0.00 C ATOM 269 CG LEU A 19 33.684 8.667 -26.405 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.102 10.116 -26.602 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.307 8.032 -27.736 1.00 0.00 C ATOM 0 H LEU A 19 35.518 6.610 -28.076 1.00 0.00 H new ATOM 0 HA LEU A 19 36.620 8.792 -26.402 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.452 6.846 -25.574 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.978 8.294 -24.737 1.00 0.00 H new ATOM 0 HG LEU A 19 32.808 8.651 -25.756 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.294 10.665 -27.086 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.318 10.567 -25.634 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.994 10.156 -27.228 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.512 8.613 -28.204 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.178 8.015 -28.391 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.960 7.013 -27.567 1.00 0.00 H new ATOM 283 N LYS A 20 38.187 7.194 -25.345 1.00 0.00 N ATOM 284 CA LYS A 20 39.134 6.269 -24.727 1.00 0.00 C ATOM 285 C LYS A 20 39.361 6.597 -23.254 1.00 0.00 C ATOM 286 O LYS A 20 39.116 7.717 -22.808 1.00 0.00 O ATOM 287 CB LYS A 20 40.466 6.289 -25.480 1.00 0.00 C ATOM 288 CG LYS A 20 41.382 7.435 -25.080 1.00 0.00 C ATOM 289 CD LYS A 20 42.829 7.133 -25.431 1.00 0.00 C ATOM 290 CE LYS A 20 43.609 6.656 -24.217 1.00 0.00 C ATOM 291 NZ LYS A 20 45.054 6.473 -24.524 1.00 0.00 N ATOM 0 H LYS A 20 38.486 8.169 -25.348 1.00 0.00 H new ATOM 0 HA LYS A 20 38.703 5.269 -24.785 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.984 5.346 -25.308 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.267 6.352 -26.550 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.066 8.349 -25.584 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.295 7.616 -24.009 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.864 6.371 -26.210 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.300 8.027 -25.839 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.498 7.377 -23.408 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.191 5.714 -23.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.552 6.147 -23.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.162 5.766 -25.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.460 7.378 -24.837 1.00 0.00 H new ATOM 379 N GLN A 26 39.329 9.343 -18.591 1.00 0.00 N ATOM 380 CA GLN A 26 38.811 9.356 -19.953 1.00 0.00 C ATOM 381 C GLN A 26 39.661 10.243 -20.857 1.00 0.00 C ATOM 382 O GLN A 26 40.526 10.983 -20.387 1.00 0.00 O ATOM 383 CB GLN A 26 37.359 9.835 -19.959 1.00 0.00 C ATOM 384 CG GLN A 26 36.345 8.704 -19.957 1.00 0.00 C ATOM 385 CD GLN A 26 35.596 8.596 -18.642 1.00 0.00 C ATOM 386 OE1 GLN A 26 35.597 7.546 -17.999 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.952 9.683 -18.236 1.00 0.00 N ATOM 0 HA GLN A 26 38.853 8.338 -20.341 1.00 0.00 H new ATOM 0 HB2 GLN A 26 37.190 10.465 -19.086 1.00 0.00 H new ATOM 0 HB3 GLN A 26 37.194 10.458 -20.838 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.631 8.859 -20.766 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.856 7.762 -20.159 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.978 10.532 -18.801 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.431 9.669 -17.359 1.00 0.00 H new ATOM 396 N MET A 27 39.406 10.164 -22.158 1.00 0.00 N ATOM 397 CA MET A 27 40.140 10.957 -23.138 1.00 0.00 C ATOM 398 C MET A 27 39.552 10.759 -24.531 1.00 0.00 C ATOM 399 O MET A 27 39.260 9.635 -24.936 1.00 0.00 O ATOM 400 CB MET A 27 41.619 10.566 -23.138 1.00 0.00 C ATOM 401 CG MET A 27 42.522 11.618 -22.518 1.00 0.00 C ATOM 402 SD MET A 27 43.932 12.029 -23.564 1.00 0.00 S ATOM 403 CE MET A 27 45.241 11.133 -22.733 1.00 0.00 C ATOM 0 H MET A 27 38.693 9.556 -22.560 1.00 0.00 H new ATOM 0 HA MET A 27 40.052 12.008 -22.864 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.739 9.629 -22.594 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.939 10.383 -24.164 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.942 12.521 -22.326 1.00 0.00 H new ATOM 0 HG3 MET A 27 42.882 11.259 -21.554 1.00 0.00 H new ATOM 0 HE1 MET A 27 46.181 11.288 -23.263 1.00 0.00 H new ATOM 0 HE2 MET A 27 45.337 11.495 -21.709 1.00 0.00 H new ATOM 0 HE3 MET A 27 45.003 10.069 -22.720 1.00 0.00 H new ATOM 413 N LEU A 28 39.376 11.855 -25.260 1.00 0.00 N ATOM 414 CA LEU A 28 38.817 11.787 -26.604 1.00 0.00 C ATOM 415 C LEU A 28 39.898 11.476 -27.631 1.00 0.00 C ATOM 416 O LEU A 28 40.908 12.172 -27.710 1.00 0.00 O ATOM 417 CB LEU A 28 38.119 13.097 -26.962 1.00 0.00 C ATOM 418 CG LEU A 28 37.009 12.957 -28.000 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.644 13.088 -27.340 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.173 13.992 -29.102 1.00 0.00 C ATOM 0 H LEU A 28 39.611 12.796 -24.945 1.00 0.00 H new ATOM 0 HA LEU A 28 38.084 10.980 -26.620 1.00 0.00 H new ATOM 0 HB2 LEU A 28 37.699 13.530 -26.054 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.863 13.800 -27.336 1.00 0.00 H new ATOM 0 HG LEU A 28 37.080 11.966 -28.449 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.864 12.986 -28.094 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.527 12.307 -26.589 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.562 14.065 -26.864 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.372 13.876 -29.832 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.129 14.992 -28.671 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.136 13.851 -29.594 1.00 0.00 H new ATOM 432 N CYS A 29 39.681 10.425 -28.413 1.00 0.00 N ATOM 433 CA CYS A 29 40.643 10.019 -29.431 1.00 0.00 C ATOM 434 C CYS A 29 40.219 10.486 -30.818 1.00 0.00 C ATOM 435 O CYS A 29 39.030 10.601 -31.112 1.00 0.00 O ATOM 436 CB CYS A 29 40.803 8.500 -29.426 1.00 0.00 C ATOM 437 SG CYS A 29 41.975 7.877 -28.178 1.00 0.00 S ATOM 0 H CYS A 29 38.848 9.839 -28.362 1.00 0.00 H new ATOM 0 HA CYS A 29 41.597 10.488 -29.192 1.00 0.00 H new ATOM 0 HB2 CYS A 29 39.828 8.044 -29.253 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.135 8.178 -30.413 1.00 0.00 H new ATOM 442 N THR A 30 41.208 10.743 -31.667 1.00 0.00 N ATOM 443 CA THR A 30 40.951 11.190 -33.032 1.00 0.00 C ATOM 444 C THR A 30 42.050 10.722 -33.976 1.00 0.00 C ATOM 445 O THR A 30 43.164 11.244 -33.948 1.00 0.00 O ATOM 446 CB THR A 30 40.853 12.724 -33.121 1.00 0.00 C ATOM 447 OG1 THR A 30 39.819 13.203 -32.254 1.00 0.00 O ATOM 448 CG2 THR A 30 40.569 13.163 -34.551 1.00 0.00 C ATOM 0 H THR A 30 42.197 10.649 -31.434 1.00 0.00 H new ATOM 0 HA THR A 30 39.997 10.753 -33.327 1.00 0.00 H new ATOM 0 HB THR A 30 41.808 13.146 -32.809 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.766 14.180 -32.317 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.504 14.250 -34.592 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.374 12.823 -35.203 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.626 12.730 -34.884 1.00 0.00 H new ATOM 456 N CYS A 31 41.735 9.743 -34.817 1.00 0.00 N ATOM 457 CA CYS A 31 42.711 9.230 -35.766 1.00 0.00 C ATOM 458 C CYS A 31 42.761 10.114 -37.007 1.00 0.00 C ATOM 459 O CYS A 31 41.862 10.081 -37.847 1.00 0.00 O ATOM 460 CB CYS A 31 42.397 7.781 -36.145 1.00 0.00 C ATOM 461 SG CYS A 31 40.696 7.494 -36.722 1.00 0.00 S ATOM 0 H CYS A 31 40.820 9.294 -34.860 1.00 0.00 H new ATOM 0 HA CYS A 31 43.691 9.247 -35.290 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.089 7.467 -36.927 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.584 7.145 -35.280 1.00 0.00 H new ATOM 466 N LEU A 32 43.817 10.916 -37.100 1.00 0.00 N ATOM 467 CA LEU A 32 43.995 11.833 -38.220 1.00 0.00 C ATOM 468 C LEU A 32 44.531 11.110 -39.457 1.00 0.00 C ATOM 469 O LEU A 32 43.773 10.464 -40.181 1.00 0.00 O ATOM 470 CB LEU A 32 44.938 12.971 -37.819 1.00 0.00 C ATOM 471 CG LEU A 32 46.048 12.577 -36.841 1.00 0.00 C ATOM 472 CD1 LEU A 32 47.376 13.174 -37.270 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.692 13.014 -35.427 1.00 0.00 C ATOM 0 H LEU A 32 44.566 10.949 -36.409 1.00 0.00 H new ATOM 0 HA LEU A 32 43.020 12.247 -38.476 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.396 13.378 -38.720 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.348 13.771 -37.372 1.00 0.00 H new ATOM 0 HG LEU A 32 46.145 11.491 -36.850 1.00 0.00 H new ATOM 0 HD11 LEU A 32 48.152 12.882 -36.562 1.00 0.00 H new ATOM 0 HD12 LEU A 32 47.635 12.808 -38.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.296 14.261 -37.293 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.492 12.726 -34.745 1.00 0.00 H new ATOM 0 HD22 LEU A 32 45.566 14.096 -35.402 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.763 12.533 -35.121 1.00 0.00 H new ATOM 485 N GLY A 33 45.835 11.224 -39.703 1.00 0.00 N ATOM 486 CA GLY A 33 46.427 10.577 -40.860 1.00 0.00 C ATOM 487 C GLY A 33 47.791 9.980 -40.569 1.00 0.00 C ATOM 488 O GLY A 33 48.146 8.934 -41.111 1.00 0.00 O ATOM 0 H GLY A 33 46.489 11.751 -39.124 1.00 0.00 H new ATOM 0 HA2 GLY A 33 45.759 9.790 -41.211 1.00 0.00 H new ATOM 0 HA3 GLY A 33 46.518 11.302 -41.668 1.00 0.00 H new ATOM 492 N ASN A 34 48.555 10.642 -39.709 1.00 0.00 N ATOM 493 CA ASN A 34 49.886 10.164 -39.345 1.00 0.00 C ATOM 494 C ASN A 34 49.808 9.168 -38.193 1.00 0.00 C ATOM 495 O ASN A 34 50.802 8.533 -37.838 1.00 0.00 O ATOM 496 CB ASN A 34 50.813 11.329 -38.970 1.00 0.00 C ATOM 497 CG ASN A 34 50.139 12.685 -39.081 1.00 0.00 C ATOM 498 OD1 ASN A 34 50.009 13.377 -37.955 1.00 0.00 O flip ATOM 499 ND2 ASN A 34 49.740 13.104 -40.168 1.00 0.00 N flip ATOM 0 H ASN A 34 48.278 11.510 -39.250 1.00 0.00 H new ATOM 0 HA ASN A 34 50.303 9.661 -40.217 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.168 11.189 -37.949 1.00 0.00 H new ATOM 0 HB3 ASN A 34 51.689 11.311 -39.618 1.00 0.00 H new ATOM 0 HD21 ASN A 34 49.861 12.538 -41.008 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.289 14.017 -40.228 1.00 0.00 H new ATOM 506 N GLY A 35 48.619 9.033 -37.614 1.00 0.00 N ATOM 507 CA GLY A 35 48.431 8.110 -36.510 1.00 0.00 C ATOM 508 C GLY A 35 47.108 8.321 -35.803 1.00 0.00 C ATOM 509 O GLY A 35 46.082 8.545 -36.445 1.00 0.00 O ATOM 0 H GLY A 35 47.782 9.547 -37.890 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.482 7.087 -36.882 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.245 8.231 -35.796 1.00 0.00 H new ATOM 513 N VAL A 36 47.133 8.256 -34.478 1.00 0.00 N ATOM 514 CA VAL A 36 45.929 8.447 -33.682 1.00 0.00 C ATOM 515 C VAL A 36 46.229 9.283 -32.443 1.00 0.00 C ATOM 516 O VAL A 36 47.011 8.879 -31.582 1.00 0.00 O ATOM 517 CB VAL A 36 45.306 7.102 -33.256 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.282 7.309 -32.149 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.674 6.406 -34.450 1.00 0.00 C ATOM 0 H VAL A 36 47.975 8.072 -33.932 1.00 0.00 H new ATOM 0 HA VAL A 36 45.211 8.974 -34.310 1.00 0.00 H new ATOM 0 HB VAL A 36 46.100 6.464 -32.868 1.00 0.00 H new ATOM 0 HG11 VAL A 36 43.855 6.347 -31.864 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.767 7.761 -31.284 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.489 7.967 -32.505 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.239 5.459 -34.131 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.893 7.040 -34.870 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.435 6.219 -35.207 1.00 0.00 H new ATOM 529 N SER A 37 45.605 10.451 -32.363 1.00 0.00 N ATOM 530 CA SER A 37 45.804 11.349 -31.234 1.00 0.00 C ATOM 531 C SER A 37 44.510 11.530 -30.449 1.00 0.00 C ATOM 532 O SER A 37 43.420 11.533 -31.020 1.00 0.00 O ATOM 533 CB SER A 37 46.314 12.706 -31.721 1.00 0.00 C ATOM 534 OG SER A 37 47.237 13.265 -30.802 1.00 0.00 O ATOM 0 H SER A 37 44.956 10.799 -33.068 1.00 0.00 H new ATOM 0 HA SER A 37 46.548 10.904 -30.573 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.790 12.591 -32.695 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.473 13.387 -31.856 1.00 0.00 H new ATOM 0 HG SER A 37 47.549 14.131 -31.138 1.00 0.00 H new ATOM 540 N CYS A 38 44.639 11.681 -29.136 1.00 0.00 N ATOM 541 CA CYS A 38 43.481 11.863 -28.271 1.00 0.00 C ATOM 542 C CYS A 38 43.711 13.012 -27.296 1.00 0.00 C ATOM 543 O CYS A 38 44.844 13.286 -26.898 1.00 0.00 O ATOM 544 CB CYS A 38 43.187 10.576 -27.503 1.00 0.00 C ATOM 545 SG CYS A 38 43.611 9.055 -28.414 1.00 0.00 S ATOM 0 H CYS A 38 45.534 11.681 -28.648 1.00 0.00 H new ATOM 0 HA CYS A 38 42.622 12.107 -28.897 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.740 10.591 -26.564 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.127 10.551 -27.248 1.00 0.00 H new ATOM 550 N GLN A 39 42.630 13.679 -26.915 1.00 0.00 N ATOM 551 CA GLN A 39 42.713 14.799 -25.988 1.00 0.00 C ATOM 552 C GLN A 39 42.048 14.455 -24.660 1.00 0.00 C ATOM 553 O GLN A 39 41.257 13.514 -24.576 1.00 0.00 O ATOM 554 CB GLN A 39 42.057 16.040 -26.595 1.00 0.00 C ATOM 555 CG GLN A 39 43.037 16.959 -27.305 1.00 0.00 C ATOM 556 CD GLN A 39 43.022 18.369 -26.749 1.00 0.00 C ATOM 557 OE1 GLN A 39 41.836 18.855 -26.402 1.00 0.00 O flip ATOM 558 NE2 GLN A 39 44.064 19.014 -26.631 1.00 0.00 N flip ATOM 0 H GLN A 39 41.685 13.464 -27.234 1.00 0.00 H new ATOM 0 HA GLN A 39 43.766 15.008 -25.802 1.00 0.00 H new ATOM 0 HB2 GLN A 39 41.289 15.726 -27.302 1.00 0.00 H new ATOM 0 HB3 GLN A 39 41.555 16.599 -25.805 1.00 0.00 H new ATOM 0 HG2 GLN A 39 44.043 16.549 -27.217 1.00 0.00 H new ATOM 0 HG3 GLN A 39 42.797 16.989 -28.368 1.00 0.00 H new ATOM 0 HE21 GLN A 39 44.954 18.601 -26.910 1.00 0.00 H new ATOM 0 HE22 GLN A 39 44.037 19.961 -26.254 1.00 0.00 H new ATOM 636 N GLN A 45 30.550 18.839 -16.437 1.00 0.00 N ATOM 637 CA GLN A 45 30.443 18.820 -14.982 1.00 0.00 C ATOM 638 C GLN A 45 29.063 18.346 -14.537 1.00 0.00 C ATOM 639 O GLN A 45 28.937 17.612 -13.557 1.00 0.00 O ATOM 640 CB GLN A 45 30.722 20.212 -14.414 1.00 0.00 C ATOM 641 CG GLN A 45 32.013 20.831 -14.925 1.00 0.00 C ATOM 642 CD GLN A 45 33.177 20.617 -13.977 1.00 0.00 C ATOM 643 OE1 GLN A 45 33.194 19.662 -13.203 1.00 0.00 O ATOM 644 NE2 GLN A 45 34.160 21.509 -14.035 1.00 0.00 N ATOM 0 HA GLN A 45 31.185 18.119 -14.600 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.890 20.870 -14.663 1.00 0.00 H new ATOM 0 HB3 GLN A 45 30.764 20.150 -13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.257 20.403 -15.897 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.864 21.900 -15.076 1.00 0.00 H new ATOM 0 HE21 GLN A 45 34.105 22.287 -14.693 1.00 0.00 H new ATOM 0 HE22 GLN A 45 34.970 21.416 -13.422 1.00 0.00 H new ATOM 653 N THR A 46 28.032 18.770 -15.261 1.00 0.00 N ATOM 654 CA THR A 46 26.661 18.388 -14.936 1.00 0.00 C ATOM 655 C THR A 46 26.302 18.797 -13.511 1.00 0.00 C ATOM 656 O THR A 46 26.963 18.393 -12.554 1.00 0.00 O ATOM 657 CB THR A 46 26.447 16.870 -15.094 1.00 0.00 C ATOM 658 OG1 THR A 46 27.202 16.159 -14.105 1.00 0.00 O ATOM 659 CG2 THR A 46 26.863 16.404 -16.482 1.00 0.00 C ATOM 0 H THR A 46 28.119 19.377 -16.076 1.00 0.00 H new ATOM 0 HA THR A 46 26.011 18.912 -15.637 1.00 0.00 H new ATOM 0 HB THR A 46 25.385 16.663 -14.959 1.00 0.00 H new ATOM 0 HG1 THR A 46 27.687 16.798 -13.542 1.00 0.00 H new ATOM 0 HG21 THR A 46 26.702 15.329 -16.568 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.267 16.922 -17.233 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.918 16.627 -16.640 1.00 0.00 H new ATOM 667 N TYR A 47 25.256 19.607 -13.378 1.00 0.00 N ATOM 668 CA TYR A 47 24.818 20.076 -12.066 1.00 0.00 C ATOM 669 C TYR A 47 23.427 19.551 -11.717 1.00 0.00 C ATOM 670 O TYR A 47 23.104 19.362 -10.544 1.00 0.00 O ATOM 671 CB TYR A 47 24.816 21.604 -12.019 1.00 0.00 C ATOM 672 CG TYR A 47 24.597 22.259 -13.364 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.317 22.427 -13.876 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.671 22.714 -14.120 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.112 23.028 -15.102 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.475 23.317 -15.347 1.00 0.00 C ATOM 677 CZ TYR A 47 24.193 23.471 -15.834 1.00 0.00 C ATOM 678 OH TYR A 47 23.995 24.072 -17.057 1.00 0.00 O ATOM 0 H TYR A 47 24.697 19.952 -14.159 1.00 0.00 H new ATOM 0 HA TYR A 47 25.523 19.690 -11.330 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.036 21.935 -11.333 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.767 21.946 -11.610 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.468 22.082 -13.305 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.675 22.594 -13.742 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.110 23.150 -15.486 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.320 23.666 -15.922 1.00 0.00 H new ATOM 0 HH TYR A 47 24.816 24.009 -17.589 1.00 0.00 H new ATOM 688 N GLY A 48 22.604 19.321 -12.734 1.00 0.00 N ATOM 689 CA GLY A 48 21.260 18.828 -12.498 1.00 0.00 C ATOM 690 C GLY A 48 20.533 18.469 -13.777 1.00 0.00 C ATOM 691 O GLY A 48 20.868 17.483 -14.435 1.00 0.00 O ATOM 0 H GLY A 48 22.843 19.467 -13.715 1.00 0.00 H new ATOM 0 HA2 GLY A 48 21.308 17.950 -11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 48 20.689 19.586 -11.961 1.00 0.00 H new ATOM 695 N GLY A 49 19.531 19.268 -14.130 1.00 0.00 N ATOM 696 CA GLY A 49 18.765 19.009 -15.334 1.00 0.00 C ATOM 697 C GLY A 49 17.568 18.117 -15.074 1.00 0.00 C ATOM 698 O GLY A 49 16.825 18.330 -14.116 1.00 0.00 O ATOM 0 H GLY A 49 19.236 20.090 -13.603 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.425 19.955 -15.756 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.409 18.541 -16.078 1.00 0.00 H new ATOM 702 N ASN A 50 17.384 17.112 -15.923 1.00 0.00 N ATOM 703 CA ASN A 50 16.271 16.183 -15.772 1.00 0.00 C ATOM 704 C ASN A 50 16.672 14.992 -14.907 1.00 0.00 C ATOM 705 O ASN A 50 15.913 14.032 -14.767 1.00 0.00 O ATOM 706 CB ASN A 50 15.792 15.698 -17.142 1.00 0.00 C ATOM 707 CG ASN A 50 14.391 16.180 -17.468 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.571 15.429 -17.995 1.00 0.00 O ATOM 709 ND2 ASN A 50 14.112 17.439 -17.155 1.00 0.00 N ATOM 0 H ASN A 50 17.990 16.920 -16.721 1.00 0.00 H new ATOM 0 HA ASN A 50 15.455 16.710 -15.278 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.482 16.048 -17.910 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.814 14.608 -17.167 1.00 0.00 H new ATOM 0 HD21 ASN A 50 13.186 17.820 -17.350 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.823 18.026 -16.719 1.00 0.00 H new ATOM 716 N SER A 51 17.868 15.060 -14.328 1.00 0.00 N ATOM 717 CA SER A 51 18.365 13.984 -13.478 1.00 0.00 C ATOM 718 C SER A 51 18.956 14.534 -12.183 1.00 0.00 C ATOM 719 O SER A 51 18.299 14.529 -11.142 1.00 0.00 O ATOM 720 CB SER A 51 19.415 13.159 -14.224 1.00 0.00 C ATOM 721 OG SER A 51 19.049 11.791 -14.270 1.00 0.00 O ATOM 0 H SER A 51 18.509 15.847 -14.432 1.00 0.00 H new ATOM 0 HA SER A 51 17.522 13.342 -13.223 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.530 13.542 -15.238 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.382 13.264 -13.732 1.00 0.00 H new ATOM 0 HG SER A 51 19.843 11.246 -14.454 1.00 0.00 H new ATOM 727 N ASN A 52 20.196 15.008 -12.258 1.00 0.00 N ATOM 728 CA ASN A 52 20.882 15.560 -11.093 1.00 0.00 C ATOM 729 C ASN A 52 22.327 15.903 -11.436 1.00 0.00 C ATOM 730 O ASN A 52 22.899 16.850 -10.896 1.00 0.00 O ATOM 731 CB ASN A 52 20.853 14.567 -9.929 1.00 0.00 C ATOM 732 CG ASN A 52 21.300 15.195 -8.623 1.00 0.00 C ATOM 733 OD1 ASN A 52 22.254 14.736 -7.996 1.00 0.00 O ATOM 734 ND2 ASN A 52 20.610 16.250 -8.207 1.00 0.00 N ATOM 0 H ASN A 52 20.748 15.021 -13.116 1.00 0.00 H new ATOM 0 HA ASN A 52 20.361 16.470 -10.796 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.842 14.176 -9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 52 21.498 13.720 -10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 52 20.864 16.714 -7.335 1.00 0.00 H new ATOM 0 HD22 ASN A 52 19.826 16.597 -8.759 1.00 0.00 H new ATOM 741 N GLY A 53 22.911 15.126 -12.341 1.00 0.00 N ATOM 742 CA GLY A 53 24.284 15.360 -12.747 1.00 0.00 C ATOM 743 C GLY A 53 25.101 14.084 -12.807 1.00 0.00 C ATOM 744 O GLY A 53 26.299 14.094 -12.523 1.00 0.00 O ATOM 0 H GLY A 53 22.457 14.337 -12.801 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.293 15.839 -13.726 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.752 16.054 -12.049 1.00 0.00 H new ATOM 748 N GLU A 54 24.455 12.984 -13.181 1.00 0.00 N ATOM 749 CA GLU A 54 25.134 11.697 -13.277 1.00 0.00 C ATOM 750 C GLU A 54 25.902 11.592 -14.594 1.00 0.00 C ATOM 751 O GLU A 54 25.506 12.173 -15.606 1.00 0.00 O ATOM 752 CB GLU A 54 24.117 10.551 -13.136 1.00 0.00 C ATOM 753 CG GLU A 54 23.972 9.669 -14.370 1.00 0.00 C ATOM 754 CD GLU A 54 22.777 8.740 -14.286 1.00 0.00 C ATOM 755 OE1 GLU A 54 21.982 8.880 -13.332 1.00 0.00 O ATOM 756 OE2 GLU A 54 22.636 7.871 -15.173 1.00 0.00 O ATOM 0 H GLU A 54 23.464 12.958 -13.422 1.00 0.00 H new ATOM 0 HA GLU A 54 25.855 11.617 -12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 54 24.410 9.926 -12.292 1.00 0.00 H new ATOM 0 HB3 GLU A 54 23.143 10.976 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 54 23.876 10.300 -15.254 1.00 0.00 H new ATOM 0 HG3 GLU A 54 24.879 9.078 -14.498 1.00 0.00 H new ATOM 763 N PRO A 55 27.014 10.844 -14.593 1.00 0.00 N ATOM 764 CA PRO A 55 27.844 10.658 -15.785 1.00 0.00 C ATOM 765 C PRO A 55 27.017 10.350 -17.028 1.00 0.00 C ATOM 766 O PRO A 55 26.816 9.187 -17.379 1.00 0.00 O ATOM 767 CB PRO A 55 28.719 9.461 -15.413 1.00 0.00 C ATOM 768 CG PRO A 55 28.836 9.525 -13.929 1.00 0.00 C ATOM 769 CD PRO A 55 27.548 10.120 -13.425 1.00 0.00 C ATOM 0 HA PRO A 55 28.406 11.557 -16.038 1.00 0.00 H new ATOM 0 HB2 PRO A 55 28.265 8.524 -15.734 1.00 0.00 H new ATOM 0 HB3 PRO A 55 29.697 9.522 -15.890 1.00 0.00 H new ATOM 0 HG2 PRO A 55 28.995 8.532 -13.509 1.00 0.00 H new ATOM 0 HG3 PRO A 55 29.688 10.137 -13.633 1.00 0.00 H new ATOM 0 HD2 PRO A 55 26.858 9.349 -13.083 1.00 0.00 H new ATOM 0 HD3 PRO A 55 27.720 10.791 -12.583 1.00 0.00 H new ATOM 777 N CYS A 56 26.541 11.400 -17.693 1.00 0.00 N ATOM 778 CA CYS A 56 25.738 11.242 -18.901 1.00 0.00 C ATOM 779 C CYS A 56 26.228 10.052 -19.722 1.00 0.00 C ATOM 780 O CYS A 56 27.401 9.685 -19.662 1.00 0.00 O ATOM 781 CB CYS A 56 25.771 12.531 -19.727 1.00 0.00 C ATOM 782 SG CYS A 56 25.002 13.954 -18.882 1.00 0.00 S ATOM 0 H CYS A 56 26.698 12.369 -17.415 1.00 0.00 H new ATOM 0 HA CYS A 56 24.705 11.045 -18.613 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.806 12.775 -19.964 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.259 12.360 -20.674 1.00 0.00 H new ATOM 787 N VAL A 57 25.315 9.436 -20.465 1.00 0.00 N ATOM 788 CA VAL A 57 25.644 8.267 -21.271 1.00 0.00 C ATOM 789 C VAL A 57 25.880 8.614 -22.742 1.00 0.00 C ATOM 790 O VAL A 57 25.049 8.318 -23.600 1.00 0.00 O ATOM 791 CB VAL A 57 24.524 7.210 -21.174 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.276 7.675 -21.909 1.00 0.00 C ATOM 793 CG2 VAL A 57 25.003 5.871 -21.712 1.00 0.00 C ATOM 0 H VAL A 57 24.340 9.728 -20.526 1.00 0.00 H new ATOM 0 HA VAL A 57 26.574 7.866 -20.868 1.00 0.00 H new ATOM 0 HB VAL A 57 24.266 7.081 -20.123 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.500 6.914 -21.827 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.919 8.606 -21.468 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.513 7.840 -22.960 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.199 5.139 -21.635 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.294 5.982 -22.757 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.860 5.531 -21.131 1.00 0.00 H new ATOM 803 N LEU A 58 27.028 9.216 -23.040 1.00 0.00 N ATOM 804 CA LEU A 58 27.356 9.562 -24.421 1.00 0.00 C ATOM 805 C LEU A 58 28.539 8.741 -24.921 1.00 0.00 C ATOM 806 O LEU A 58 29.244 8.102 -24.140 1.00 0.00 O ATOM 807 CB LEU A 58 27.663 11.054 -24.573 1.00 0.00 C ATOM 808 CG LEU A 58 27.932 11.809 -23.274 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.705 11.789 -22.388 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.132 11.219 -22.548 1.00 0.00 C ATOM 0 H LEU A 58 27.739 9.472 -22.355 1.00 0.00 H new ATOM 0 HA LEU A 58 26.479 9.330 -25.025 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.532 11.163 -25.222 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.824 11.529 -25.081 1.00 0.00 H new ATOM 0 HG LEU A 58 28.162 12.846 -23.519 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.913 12.332 -21.466 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.873 12.263 -22.908 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.444 10.758 -22.151 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.307 11.772 -21.625 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.937 10.173 -22.313 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.014 11.289 -23.185 1.00 0.00 H new ATOM 822 N PRO A 59 28.766 8.751 -26.243 1.00 0.00 N ATOM 823 CA PRO A 59 27.935 9.505 -27.180 1.00 0.00 C ATOM 824 C PRO A 59 26.533 8.926 -27.303 1.00 0.00 C ATOM 825 O PRO A 59 26.357 7.715 -27.426 1.00 0.00 O ATOM 826 CB PRO A 59 28.670 9.378 -28.519 1.00 0.00 C ATOM 827 CG PRO A 59 30.018 8.825 -28.190 1.00 0.00 C ATOM 828 CD PRO A 59 29.847 8.033 -26.927 1.00 0.00 C ATOM 0 HA PRO A 59 27.802 10.535 -26.850 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.132 8.718 -29.200 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.754 10.346 -29.013 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.388 8.194 -28.998 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.745 9.626 -28.052 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.579 6.996 -27.132 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.761 8.015 -26.333 1.00 0.00 H new ATOM 836 N PHE A 60 25.541 9.803 -27.277 1.00 0.00 N ATOM 837 CA PHE A 60 24.149 9.389 -27.395 1.00 0.00 C ATOM 838 C PHE A 60 23.577 9.834 -28.730 1.00 0.00 C ATOM 839 O PHE A 60 24.193 10.620 -29.445 1.00 0.00 O ATOM 840 CB PHE A 60 23.312 9.970 -26.254 1.00 0.00 C ATOM 841 CG PHE A 60 23.595 11.420 -25.983 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.078 12.406 -26.809 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.376 11.797 -24.904 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.335 13.741 -26.562 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.637 13.132 -24.652 1.00 0.00 C ATOM 846 CZ PHE A 60 24.116 14.104 -25.484 1.00 0.00 C ATOM 0 H PHE A 60 25.674 10.809 -27.175 1.00 0.00 H new ATOM 0 HA PHE A 60 24.113 8.301 -27.336 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.255 9.853 -26.493 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.500 9.395 -25.347 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.467 12.128 -27.655 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.786 11.040 -24.252 1.00 0.00 H new ATOM 0 HE1 PHE A 60 22.925 14.500 -27.212 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.247 13.414 -23.806 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.320 15.147 -25.291 1.00 0.00 H new ATOM 856 N THR A 61 22.397 9.333 -29.063 1.00 0.00 N ATOM 857 CA THR A 61 21.752 9.690 -30.317 1.00 0.00 C ATOM 858 C THR A 61 20.476 10.481 -30.065 1.00 0.00 C ATOM 859 O THR A 61 19.550 9.994 -29.417 1.00 0.00 O ATOM 860 CB THR A 61 21.419 8.443 -31.157 1.00 0.00 C ATOM 861 OG1 THR A 61 22.139 7.310 -30.655 1.00 0.00 O ATOM 862 CG2 THR A 61 21.771 8.665 -32.620 1.00 0.00 C ATOM 0 H THR A 61 21.868 8.680 -28.484 1.00 0.00 H new ATOM 0 HA THR A 61 22.457 10.308 -30.873 1.00 0.00 H new ATOM 0 HB THR A 61 20.348 8.257 -31.082 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.922 6.520 -31.192 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.527 7.770 -33.193 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.202 9.510 -33.007 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.837 8.874 -32.710 1.00 0.00 H new ATOM 870 N TYR A 62 20.437 11.704 -30.578 1.00 0.00 N ATOM 871 CA TYR A 62 19.274 12.562 -30.401 1.00 0.00 C ATOM 872 C TYR A 62 18.917 13.277 -31.699 1.00 0.00 C ATOM 873 O TYR A 62 19.774 13.886 -32.340 1.00 0.00 O ATOM 874 CB TYR A 62 19.532 13.588 -29.297 1.00 0.00 C ATOM 875 CG TYR A 62 18.454 14.642 -29.191 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.160 14.304 -28.817 1.00 0.00 C ATOM 877 CD2 TYR A 62 18.731 15.976 -29.468 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.171 15.264 -28.723 1.00 0.00 C ATOM 879 CE2 TYR A 62 17.747 16.942 -29.374 1.00 0.00 C ATOM 880 CZ TYR A 62 16.470 16.581 -29.003 1.00 0.00 C ATOM 881 OH TYR A 62 15.488 17.540 -28.909 1.00 0.00 O ATOM 0 H TYR A 62 21.194 12.122 -31.118 1.00 0.00 H new ATOM 0 HA TYR A 62 18.433 11.931 -30.113 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.617 13.069 -28.342 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.489 14.076 -29.481 1.00 0.00 H new ATOM 0 HD1 TYR A 62 16.923 13.274 -28.596 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.730 16.262 -29.761 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.169 14.985 -28.432 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.978 17.975 -29.590 1.00 0.00 H new ATOM 0 HH TYR A 62 14.837 17.276 -28.226 1.00 0.00 H new ATOM 891 N ASN A 63 17.646 13.201 -32.078 1.00 0.00 N ATOM 892 CA ASN A 63 17.173 13.843 -33.298 1.00 0.00 C ATOM 893 C ASN A 63 17.739 13.157 -34.538 1.00 0.00 C ATOM 894 O ASN A 63 17.536 13.618 -35.661 1.00 0.00 O ATOM 895 CB ASN A 63 17.559 15.324 -33.299 1.00 0.00 C ATOM 896 CG ASN A 63 16.393 16.223 -33.653 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.256 16.663 -34.794 1.00 0.00 O ATOM 898 ND2 ASN A 63 15.544 16.504 -32.671 1.00 0.00 N ATOM 0 H ASN A 63 16.925 12.701 -31.558 1.00 0.00 H new ATOM 0 HA ASN A 63 16.087 13.754 -33.325 1.00 0.00 H new ATOM 0 HB2 ASN A 63 17.940 15.598 -32.315 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.368 15.485 -34.011 1.00 0.00 H new ATOM 0 HD21 ASN A 63 14.740 17.106 -32.849 1.00 0.00 H new ATOM 0 HD22 ASN A 63 15.696 16.117 -31.739 1.00 0.00 H new ATOM 905 N GLY A 64 18.447 12.050 -34.329 1.00 0.00 N ATOM 906 CA GLY A 64 19.024 11.319 -35.442 1.00 0.00 C ATOM 907 C GLY A 64 20.532 11.467 -35.523 1.00 0.00 C ATOM 908 O GLY A 64 21.187 10.774 -36.300 1.00 0.00 O ATOM 0 H GLY A 64 18.631 11.647 -33.410 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.772 10.263 -35.347 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.578 11.671 -36.372 1.00 0.00 H new ATOM 912 N ARG A 65 21.085 12.369 -34.719 1.00 0.00 N ATOM 913 CA ARG A 65 22.526 12.600 -34.708 1.00 0.00 C ATOM 914 C ARG A 65 23.163 11.999 -33.459 1.00 0.00 C ATOM 915 O ARG A 65 22.555 11.174 -32.778 1.00 0.00 O ATOM 916 CB ARG A 65 22.829 14.097 -34.781 1.00 0.00 C ATOM 917 CG ARG A 65 22.588 14.831 -33.474 1.00 0.00 C ATOM 918 CD ARG A 65 22.401 16.322 -33.700 1.00 0.00 C ATOM 919 NE ARG A 65 20.997 16.713 -33.619 1.00 0.00 N ATOM 920 CZ ARG A 65 20.556 17.936 -33.894 1.00 0.00 C ATOM 921 NH1 ARG A 65 21.407 18.882 -34.268 1.00 0.00 N ATOM 922 NH2 ARG A 65 19.264 18.215 -33.796 1.00 0.00 N ATOM 0 H ARG A 65 20.559 12.951 -34.067 1.00 0.00 H new ATOM 0 HA ARG A 65 22.952 12.111 -35.584 1.00 0.00 H new ATOM 0 HB2 ARG A 65 23.868 14.235 -35.079 1.00 0.00 H new ATOM 0 HB3 ARG A 65 22.212 14.546 -35.559 1.00 0.00 H new ATOM 0 HG2 ARG A 65 21.704 14.422 -32.983 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.430 14.666 -32.802 1.00 0.00 H new ATOM 0 HD2 ARG A 65 22.976 16.876 -32.958 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.798 16.593 -34.678 1.00 0.00 H new ATOM 0 HE ARG A 65 20.316 16.008 -33.335 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.402 18.671 -34.345 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.066 19.820 -34.479 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.606 17.490 -33.509 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.928 19.154 -34.008 1.00 0.00 H new ATOM 936 N THR A 66 24.392 12.413 -33.168 1.00 0.00 N ATOM 937 CA THR A 66 25.113 11.906 -32.005 1.00 0.00 C ATOM 938 C THR A 66 25.894 13.017 -31.306 1.00 0.00 C ATOM 939 O THR A 66 26.265 14.013 -31.925 1.00 0.00 O ATOM 940 CB THR A 66 26.084 10.780 -32.406 1.00 0.00 C ATOM 941 OG1 THR A 66 25.402 9.818 -33.222 1.00 0.00 O ATOM 942 CG2 THR A 66 26.662 10.091 -31.179 1.00 0.00 C ATOM 0 H THR A 66 24.909 13.097 -33.720 1.00 0.00 H new ATOM 0 HA THR A 66 24.368 11.511 -31.315 1.00 0.00 H new ATOM 0 HB THR A 66 26.905 11.224 -32.969 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.024 9.105 -33.476 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.344 9.301 -31.493 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.204 10.819 -30.574 1.00 0.00 H new ATOM 0 HG23 THR A 66 25.853 9.659 -30.589 1.00 0.00 H new ATOM 950 N PHE A 67 26.144 12.837 -30.010 1.00 0.00 N ATOM 951 CA PHE A 67 26.885 13.823 -29.229 1.00 0.00 C ATOM 952 C PHE A 67 27.752 13.146 -28.169 1.00 0.00 C ATOM 953 O PHE A 67 27.237 12.522 -27.241 1.00 0.00 O ATOM 954 CB PHE A 67 25.928 14.804 -28.548 1.00 0.00 C ATOM 955 CG PHE A 67 24.724 15.169 -29.371 1.00 0.00 C ATOM 956 CD1 PHE A 67 23.814 14.202 -29.770 1.00 0.00 C ATOM 957 CD2 PHE A 67 24.497 16.488 -29.735 1.00 0.00 C ATOM 958 CE1 PHE A 67 22.700 14.545 -30.514 1.00 0.00 C ATOM 959 CE2 PHE A 67 23.388 16.836 -30.480 1.00 0.00 C ATOM 960 CZ PHE A 67 22.487 15.864 -30.870 1.00 0.00 C ATOM 0 H PHE A 67 25.844 12.018 -29.480 1.00 0.00 H new ATOM 0 HA PHE A 67 27.530 14.368 -29.918 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.591 14.370 -27.606 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.475 15.714 -28.302 1.00 0.00 H new ATOM 0 HD1 PHE A 67 23.977 13.170 -29.497 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.197 17.253 -29.432 1.00 0.00 H new ATOM 0 HE1 PHE A 67 21.997 13.783 -30.817 1.00 0.00 H new ATOM 0 HE2 PHE A 67 23.225 17.867 -30.758 1.00 0.00 H new ATOM 0 HZ PHE A 67 21.618 16.134 -31.452 1.00 0.00 H new ATOM 970 N TYR A 68 29.070 13.283 -28.303 1.00 0.00 N ATOM 971 CA TYR A 68 30.002 12.697 -27.346 1.00 0.00 C ATOM 972 C TYR A 68 29.887 13.393 -25.994 1.00 0.00 C ATOM 973 O TYR A 68 30.396 12.904 -24.986 1.00 0.00 O ATOM 974 CB TYR A 68 31.441 12.809 -27.863 1.00 0.00 C ATOM 975 CG TYR A 68 31.812 11.763 -28.892 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.863 11.250 -29.765 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.115 11.289 -28.987 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.200 10.294 -30.705 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.461 10.334 -29.923 1.00 0.00 C ATOM 980 CZ TYR A 68 32.500 9.839 -30.779 1.00 0.00 C ATOM 981 OH TYR A 68 32.841 8.887 -31.713 1.00 0.00 O ATOM 0 H TYR A 68 29.515 13.795 -29.065 1.00 0.00 H new ATOM 0 HA TYR A 68 29.748 11.644 -27.225 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.583 13.798 -28.299 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.126 12.731 -27.019 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.844 11.604 -29.709 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.870 11.674 -28.317 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.450 9.906 -31.378 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.478 9.977 -29.984 1.00 0.00 H new ATOM 0 HH TYR A 68 33.732 9.084 -32.071 1.00 0.00 H new ATOM 991 N SER A 69 29.215 14.540 -25.984 1.00 0.00 N ATOM 992 CA SER A 69 29.030 15.313 -24.763 1.00 0.00 C ATOM 993 C SER A 69 27.650 15.957 -24.737 1.00 0.00 C ATOM 994 O SER A 69 26.748 15.545 -25.466 1.00 0.00 O ATOM 995 CB SER A 69 30.108 16.391 -24.649 1.00 0.00 C ATOM 996 OG SER A 69 30.484 16.596 -23.297 1.00 0.00 O ATOM 0 H SER A 69 28.788 14.955 -26.812 1.00 0.00 H new ATOM 0 HA SER A 69 29.114 14.634 -23.915 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.981 16.099 -25.232 1.00 0.00 H new ATOM 0 HB3 SER A 69 29.739 17.325 -25.073 1.00 0.00 H new ATOM 0 HG SER A 69 31.176 17.289 -23.251 1.00 0.00 H new ATOM 1002 N CYS A 70 27.492 16.970 -23.895 1.00 0.00 N ATOM 1003 CA CYS A 70 26.218 17.669 -23.779 1.00 0.00 C ATOM 1004 C CYS A 70 25.769 18.207 -25.132 1.00 0.00 C ATOM 1005 O CYS A 70 26.386 17.930 -26.160 1.00 0.00 O ATOM 1006 CB CYS A 70 26.325 18.819 -22.779 1.00 0.00 C ATOM 1007 SG CYS A 70 25.464 18.513 -21.201 1.00 0.00 S ATOM 0 H CYS A 70 28.227 17.325 -23.284 1.00 0.00 H new ATOM 0 HA CYS A 70 25.477 16.954 -23.422 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.378 19.012 -22.575 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.918 19.722 -23.234 1.00 0.00 H new ATOM 1012 N THR A 71 24.693 18.982 -25.119 1.00 0.00 N ATOM 1013 CA THR A 71 24.157 19.567 -26.339 1.00 0.00 C ATOM 1014 C THR A 71 22.875 20.338 -26.055 1.00 0.00 C ATOM 1015 O THR A 71 22.015 19.878 -25.303 1.00 0.00 O ATOM 1016 CB THR A 71 23.870 18.489 -27.405 1.00 0.00 C ATOM 1017 OG1 THR A 71 23.803 19.091 -28.703 1.00 0.00 O ATOM 1018 CG2 THR A 71 22.565 17.763 -27.112 1.00 0.00 C ATOM 0 H THR A 71 24.173 19.220 -24.274 1.00 0.00 H new ATOM 0 HA THR A 71 24.915 20.250 -26.723 1.00 0.00 H new ATOM 0 HB THR A 71 24.683 17.763 -27.379 1.00 0.00 H new ATOM 0 HG1 THR A 71 24.117 18.452 -29.377 1.00 0.00 H new ATOM 0 HG21 THR A 71 22.388 17.009 -27.879 1.00 0.00 H new ATOM 0 HG22 THR A 71 22.628 17.280 -26.137 1.00 0.00 H new ATOM 0 HG23 THR A 71 21.743 18.479 -27.110 1.00 0.00 H new ATOM 1026 N THR A 72 22.749 21.512 -26.663 1.00 0.00 N ATOM 1027 CA THR A 72 21.568 22.341 -26.476 1.00 0.00 C ATOM 1028 C THR A 72 20.715 22.361 -27.740 1.00 0.00 C ATOM 1029 O THR A 72 20.516 23.410 -28.353 1.00 0.00 O ATOM 1030 CB THR A 72 21.945 23.787 -26.101 1.00 0.00 C ATOM 1031 OG1 THR A 72 23.277 24.076 -26.539 1.00 0.00 O ATOM 1032 CG2 THR A 72 21.841 23.999 -24.598 1.00 0.00 C ATOM 0 H THR A 72 23.450 21.909 -27.288 1.00 0.00 H new ATOM 0 HA THR A 72 20.998 21.903 -25.657 1.00 0.00 H new ATOM 0 HB THR A 72 21.247 24.462 -26.597 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.508 24.997 -26.298 1.00 0.00 H new ATOM 0 HG21 THR A 72 22.112 25.027 -24.356 1.00 0.00 H new ATOM 0 HG22 THR A 72 20.818 23.807 -24.273 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.518 23.315 -24.086 1.00 0.00 H new ATOM 1040 N GLU A 73 20.222 21.190 -28.129 1.00 0.00 N ATOM 1041 CA GLU A 73 19.398 21.064 -29.327 1.00 0.00 C ATOM 1042 C GLU A 73 17.971 20.655 -28.976 1.00 0.00 C ATOM 1043 O GLU A 73 17.173 20.339 -29.858 1.00 0.00 O ATOM 1044 CB GLU A 73 20.008 20.035 -30.280 1.00 0.00 C ATOM 1045 CG GLU A 73 21.253 20.531 -30.998 1.00 0.00 C ATOM 1046 CD GLU A 73 20.931 21.303 -32.263 1.00 0.00 C ATOM 1047 OE1 GLU A 73 19.768 21.733 -32.417 1.00 0.00 O ATOM 1048 OE2 GLU A 73 21.840 21.477 -33.100 1.00 0.00 O ATOM 0 H GLU A 73 20.379 20.313 -27.632 1.00 0.00 H new ATOM 0 HA GLU A 73 19.366 22.038 -29.815 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.258 19.135 -29.718 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.261 19.751 -31.021 1.00 0.00 H new ATOM 0 HG2 GLU A 73 21.826 21.168 -30.324 1.00 0.00 H new ATOM 0 HG3 GLU A 73 21.887 19.680 -31.248 1.00 0.00 H new ATOM 1055 N GLY A 74 17.654 20.658 -27.685 1.00 0.00 N ATOM 1056 CA GLY A 74 16.319 20.280 -27.254 1.00 0.00 C ATOM 1057 C GLY A 74 16.021 20.683 -25.823 1.00 0.00 C ATOM 1058 O GLY A 74 15.868 19.831 -24.949 1.00 0.00 O ATOM 0 H GLY A 74 18.293 20.914 -26.933 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.586 20.741 -27.916 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.203 19.201 -27.353 1.00 0.00 H new ATOM 1122 N HIS A 79 20.620 25.555 -21.536 1.00 0.00 N ATOM 1123 CA HIS A 79 21.740 24.958 -20.818 1.00 0.00 C ATOM 1124 C HIS A 79 22.140 23.622 -21.437 1.00 0.00 C ATOM 1125 O HIS A 79 21.291 22.768 -21.693 1.00 0.00 O ATOM 1126 CB HIS A 79 21.377 24.755 -19.345 1.00 0.00 C ATOM 1127 CG HIS A 79 20.346 25.715 -18.840 1.00 0.00 C ATOM 1128 ND1 HIS A 79 19.335 25.347 -17.977 1.00 0.00 N ATOM 1129 CD2 HIS A 79 20.173 27.037 -19.076 1.00 0.00 C ATOM 1130 CE1 HIS A 79 18.586 26.401 -17.706 1.00 0.00 C ATOM 1131 NE2 HIS A 79 19.074 27.439 -18.359 1.00 0.00 N ATOM 0 HA HIS A 79 22.587 25.640 -20.891 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.011 23.738 -19.207 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.279 24.854 -18.741 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.189 24.408 -17.606 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.786 27.660 -19.711 1.00 0.00 H new ATOM 0 HE1 HIS A 79 17.721 26.411 -17.060 1.00 0.00 H new ATOM 1140 N LEU A 80 23.437 23.444 -21.669 1.00 0.00 N ATOM 1141 CA LEU A 80 23.945 22.205 -22.248 1.00 0.00 C ATOM 1142 C LEU A 80 23.412 21.003 -21.478 1.00 0.00 C ATOM 1143 O LEU A 80 23.529 20.941 -20.255 1.00 0.00 O ATOM 1144 CB LEU A 80 25.475 22.197 -22.226 1.00 0.00 C ATOM 1145 CG LEU A 80 26.150 22.817 -23.449 1.00 0.00 C ATOM 1146 CD1 LEU A 80 25.750 24.275 -23.596 1.00 0.00 C ATOM 1147 CD2 LEU A 80 27.662 22.683 -23.347 1.00 0.00 C ATOM 0 H LEU A 80 24.154 24.140 -21.465 1.00 0.00 H new ATOM 0 HA LEU A 80 23.605 22.143 -23.282 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.812 22.730 -21.337 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.815 21.166 -22.128 1.00 0.00 H new ATOM 0 HG LEU A 80 25.817 22.280 -24.337 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.240 24.700 -24.472 1.00 0.00 H new ATOM 0 HD12 LEU A 80 24.669 24.345 -23.715 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.054 24.827 -22.707 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.127 23.130 -24.226 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.013 23.195 -22.451 1.00 0.00 H new ATOM 0 HD23 LEU A 80 27.931 21.628 -23.291 1.00 0.00 H new ATOM 1159 N TRP A 81 22.819 20.051 -22.192 1.00 0.00 N ATOM 1160 CA TRP A 81 22.264 18.864 -21.552 1.00 0.00 C ATOM 1161 C TRP A 81 22.676 17.586 -22.274 1.00 0.00 C ATOM 1162 O TRP A 81 22.773 17.553 -23.502 1.00 0.00 O ATOM 1163 CB TRP A 81 20.739 18.959 -21.505 1.00 0.00 C ATOM 1164 CG TRP A 81 20.094 18.837 -22.853 1.00 0.00 C ATOM 1165 CD1 TRP A 81 19.664 19.857 -23.652 1.00 0.00 C ATOM 1166 CD2 TRP A 81 19.807 17.624 -23.559 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.125 19.351 -24.810 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.201 17.984 -24.777 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.003 16.267 -23.279 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 18.790 17.038 -25.713 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 19.595 15.331 -24.209 1.00 0.00 C ATOM 1172 CH2 TRP A 81 18.995 15.720 -25.413 1.00 0.00 C ATOM 0 H TRP A 81 22.711 20.078 -23.206 1.00 0.00 H new ATOM 0 HA TRP A 81 22.663 18.820 -20.538 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.353 18.175 -20.853 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.455 19.912 -21.059 1.00 0.00 H new ATOM 0 HD1 TRP A 81 19.737 20.907 -23.410 1.00 0.00 H new ATOM 0 HE1 TRP A 81 18.732 19.904 -25.571 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.465 15.957 -22.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 18.326 17.335 -26.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.741 14.281 -24.004 1.00 0.00 H new ATOM 0 HH2 TRP A 81 18.688 14.963 -26.119 1.00 0.00 H new ATOM 1183 N CYS A 82 22.895 16.528 -21.497 1.00 0.00 N ATOM 1184 CA CYS A 82 23.273 15.230 -22.045 1.00 0.00 C ATOM 1185 C CYS A 82 22.377 14.140 -21.471 1.00 0.00 C ATOM 1186 O CYS A 82 21.722 14.341 -20.449 1.00 0.00 O ATOM 1187 CB CYS A 82 24.741 14.911 -21.746 1.00 0.00 C ATOM 1188 SG CYS A 82 25.329 15.518 -20.134 1.00 0.00 S ATOM 0 H CYS A 82 22.816 16.546 -20.480 1.00 0.00 H new ATOM 0 HA CYS A 82 23.146 15.269 -23.127 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.881 13.831 -21.787 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.361 15.343 -22.531 1.00 0.00 H new ATOM 1193 N SER A 83 22.349 12.985 -22.125 1.00 0.00 N ATOM 1194 CA SER A 83 21.521 11.877 -21.662 1.00 0.00 C ATOM 1195 C SER A 83 22.261 11.053 -20.619 1.00 0.00 C ATOM 1196 O SER A 83 23.490 11.024 -20.603 1.00 0.00 O ATOM 1197 CB SER A 83 21.108 10.987 -22.838 1.00 0.00 C ATOM 1198 OG SER A 83 21.549 9.653 -22.652 1.00 0.00 O ATOM 0 H SER A 83 22.885 12.791 -22.971 1.00 0.00 H new ATOM 0 HA SER A 83 20.623 12.293 -21.205 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.023 11.002 -22.946 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.526 11.385 -23.763 1.00 0.00 H new ATOM 0 HG SER A 83 21.270 9.107 -23.416 1.00 0.00 H new ATOM 1204 N THR A 84 21.511 10.389 -19.747 1.00 0.00 N ATOM 1205 CA THR A 84 22.112 9.570 -18.704 1.00 0.00 C ATOM 1206 C THR A 84 21.723 8.101 -18.862 1.00 0.00 C ATOM 1207 O THR A 84 22.245 7.232 -18.163 1.00 0.00 O ATOM 1208 CB THR A 84 21.711 10.063 -17.304 1.00 0.00 C ATOM 1209 OG1 THR A 84 20.288 10.168 -17.211 1.00 0.00 O ATOM 1210 CG2 THR A 84 22.342 11.416 -17.011 1.00 0.00 C ATOM 0 H THR A 84 20.491 10.402 -19.742 1.00 0.00 H new ATOM 0 HA THR A 84 23.193 9.661 -18.810 1.00 0.00 H new ATOM 0 HB THR A 84 22.070 9.341 -16.570 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.960 10.782 -17.901 1.00 0.00 H new ATOM 0 HG21 THR A 84 22.046 11.748 -16.016 1.00 0.00 H new ATOM 0 HG22 THR A 84 23.428 11.329 -17.057 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.005 12.142 -17.751 1.00 0.00 H new ATOM 1218 N THR A 85 20.815 7.831 -19.796 1.00 0.00 N ATOM 1219 CA THR A 85 20.368 6.468 -20.063 1.00 0.00 C ATOM 1220 C THR A 85 20.383 6.186 -21.563 1.00 0.00 C ATOM 1221 O THR A 85 19.700 6.857 -22.337 1.00 0.00 O ATOM 1222 CB THR A 85 18.949 6.213 -19.502 1.00 0.00 C ATOM 1223 OG1 THR A 85 19.024 5.923 -18.103 1.00 0.00 O ATOM 1224 CG2 THR A 85 18.262 5.055 -20.218 1.00 0.00 C ATOM 0 H THR A 85 20.374 8.540 -20.382 1.00 0.00 H new ATOM 0 HA THR A 85 21.061 5.794 -19.559 1.00 0.00 H new ATOM 0 HB THR A 85 18.361 7.116 -19.667 1.00 0.00 H new ATOM 0 HG1 THR A 85 18.655 5.031 -17.934 1.00 0.00 H new ATOM 0 HG21 THR A 85 17.268 4.905 -19.797 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.176 5.284 -21.280 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.851 4.147 -20.089 1.00 0.00 H new ATOM 1232 N SER A 86 21.164 5.187 -21.967 1.00 0.00 N ATOM 1233 CA SER A 86 21.262 4.817 -23.374 1.00 0.00 C ATOM 1234 C SER A 86 19.909 4.962 -24.056 1.00 0.00 C ATOM 1235 O SER A 86 19.824 5.340 -25.225 1.00 0.00 O ATOM 1236 CB SER A 86 21.766 3.379 -23.513 1.00 0.00 C ATOM 1237 OG SER A 86 21.295 2.787 -24.710 1.00 0.00 O ATOM 0 H SER A 86 21.736 4.621 -21.341 1.00 0.00 H new ATOM 0 HA SER A 86 21.973 5.487 -23.857 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.856 3.370 -23.504 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.435 2.790 -22.658 1.00 0.00 H new ATOM 0 HG SER A 86 21.632 1.869 -24.776 1.00 0.00 H new ATOM 1243 N ASN A 87 18.852 4.665 -23.310 1.00 0.00 N ATOM 1244 CA ASN A 87 17.496 4.765 -23.826 1.00 0.00 C ATOM 1245 C ASN A 87 16.855 6.079 -23.396 1.00 0.00 C ATOM 1246 O ASN A 87 15.887 6.089 -22.635 1.00 0.00 O ATOM 1247 CB ASN A 87 16.653 3.587 -23.332 1.00 0.00 C ATOM 1248 CG ASN A 87 16.003 2.824 -24.468 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.275 1.641 -24.672 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.139 3.500 -25.216 1.00 0.00 N ATOM 0 H ASN A 87 18.911 4.352 -22.341 1.00 0.00 H new ATOM 0 HA ASN A 87 17.540 4.738 -24.915 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.283 2.909 -22.757 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.881 3.955 -22.656 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.670 3.039 -25.996 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.944 4.480 -25.010 1.00 0.00 H new ATOM 1257 N TYR A 88 17.398 7.188 -23.888 1.00 0.00 N ATOM 1258 CA TYR A 88 16.875 8.503 -23.552 1.00 0.00 C ATOM 1259 C TYR A 88 15.521 8.712 -24.210 1.00 0.00 C ATOM 1260 O TYR A 88 14.724 9.542 -23.771 1.00 0.00 O ATOM 1261 CB TYR A 88 17.847 9.595 -23.999 1.00 0.00 C ATOM 1262 CG TYR A 88 17.213 10.963 -24.084 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.439 11.325 -25.179 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.387 11.893 -23.068 1.00 0.00 C ATOM 1265 CE1 TYR A 88 15.857 12.574 -25.260 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.808 13.145 -23.139 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.043 13.481 -24.237 1.00 0.00 C ATOM 1268 OH TYR A 88 15.465 14.727 -24.313 1.00 0.00 O ATOM 0 H TYR A 88 18.199 7.200 -24.520 1.00 0.00 H new ATOM 0 HA TYR A 88 16.757 8.562 -22.470 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.684 9.633 -23.302 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.256 9.331 -24.974 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.290 10.617 -25.981 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.985 11.633 -22.207 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.259 12.840 -26.119 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.953 13.857 -22.340 1.00 0.00 H new ATOM 0 HH TYR A 88 15.693 15.243 -23.512 1.00 0.00 H new ATOM 1278 N GLU A 89 15.266 7.948 -25.266 1.00 0.00 N ATOM 1279 CA GLU A 89 14.006 8.042 -25.987 1.00 0.00 C ATOM 1280 C GLU A 89 12.877 7.413 -25.179 1.00 0.00 C ATOM 1281 O GLU A 89 11.699 7.632 -25.462 1.00 0.00 O ATOM 1282 CB GLU A 89 14.121 7.358 -27.351 1.00 0.00 C ATOM 1283 CG GLU A 89 15.338 7.794 -28.151 1.00 0.00 C ATOM 1284 CD GLU A 89 15.871 6.693 -29.047 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.060 5.873 -29.526 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.100 6.651 -29.270 1.00 0.00 O ATOM 0 H GLU A 89 15.916 7.257 -25.640 1.00 0.00 H new ATOM 0 HA GLU A 89 13.777 9.097 -26.140 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.161 6.279 -27.204 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.222 7.568 -27.930 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.077 8.659 -28.761 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.124 8.112 -27.466 1.00 0.00 H new ATOM 1293 N GLN A 90 13.249 6.633 -24.170 1.00 0.00 N ATOM 1294 CA GLN A 90 12.274 5.971 -23.312 1.00 0.00 C ATOM 1295 C GLN A 90 12.250 6.619 -21.932 1.00 0.00 C ATOM 1296 O GLN A 90 11.186 6.940 -21.401 1.00 0.00 O ATOM 1297 CB GLN A 90 12.602 4.478 -23.196 1.00 0.00 C ATOM 1298 CG GLN A 90 12.170 3.849 -21.880 1.00 0.00 C ATOM 1299 CD GLN A 90 10.663 3.737 -21.755 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.924 4.123 -22.660 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.201 3.207 -20.630 1.00 0.00 N ATOM 0 H GLN A 90 14.221 6.444 -23.926 1.00 0.00 H new ATOM 0 HA GLN A 90 11.286 6.079 -23.759 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.120 3.946 -24.016 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.677 4.342 -23.316 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.613 2.857 -21.793 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.556 4.444 -21.053 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.851 2.900 -19.906 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.196 3.106 -20.489 1.00 0.00 H new ATOM 1310 N ASP A 91 13.432 6.809 -21.360 1.00 0.00 N ATOM 1311 CA ASP A 91 13.556 7.422 -20.043 1.00 0.00 C ATOM 1312 C ASP A 91 13.443 8.938 -20.147 1.00 0.00 C ATOM 1313 O ASP A 91 12.715 9.572 -19.384 1.00 0.00 O ATOM 1314 CB ASP A 91 14.890 7.038 -19.400 1.00 0.00 C ATOM 1315 CG ASP A 91 14.722 6.032 -18.278 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.598 5.923 -17.743 1.00 0.00 O ATOM 1317 OD2 ASP A 91 15.713 5.356 -17.933 1.00 0.00 O ATOM 0 H ASP A 91 14.320 6.547 -21.788 1.00 0.00 H new ATOM 0 HA ASP A 91 12.744 7.054 -19.415 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.551 6.623 -20.161 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.374 7.934 -19.012 1.00 0.00 H new ATOM 1322 N GLN A 92 14.172 9.510 -21.100 1.00 0.00 N ATOM 1323 CA GLN A 92 14.158 10.952 -21.318 1.00 0.00 C ATOM 1324 C GLN A 92 14.863 11.686 -20.183 1.00 0.00 C ATOM 1325 O GLN A 92 14.830 12.915 -20.113 1.00 0.00 O ATOM 1326 CB GLN A 92 12.720 11.458 -21.456 1.00 0.00 C ATOM 1327 CG GLN A 92 12.270 11.630 -22.897 1.00 0.00 C ATOM 1328 CD GLN A 92 12.618 12.995 -23.460 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.704 13.978 -22.724 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.820 13.061 -24.770 1.00 0.00 N ATOM 0 H GLN A 92 14.782 8.995 -21.735 1.00 0.00 H new ATOM 0 HA GLN A 92 14.696 11.155 -22.244 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.049 10.760 -20.956 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.629 12.414 -20.939 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.733 10.859 -23.512 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.192 11.481 -22.957 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.738 12.220 -25.342 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.057 13.952 -25.205 1.00 0.00 H new ATOM 1339 N LYS A 93 15.507 10.930 -19.299 1.00 0.00 N ATOM 1340 CA LYS A 93 16.221 11.521 -18.175 1.00 0.00 C ATOM 1341 C LYS A 93 17.619 11.963 -18.611 1.00 0.00 C ATOM 1342 O LYS A 93 18.505 11.140 -18.855 1.00 0.00 O ATOM 1343 CB LYS A 93 16.267 10.534 -16.994 1.00 0.00 C ATOM 1344 CG LYS A 93 17.656 10.058 -16.591 1.00 0.00 C ATOM 1345 CD LYS A 93 18.061 8.813 -17.360 1.00 0.00 C ATOM 1346 CE LYS A 93 19.090 7.999 -16.592 1.00 0.00 C ATOM 1347 NZ LYS A 93 18.474 6.824 -15.917 1.00 0.00 N ATOM 0 H LYS A 93 15.549 9.912 -19.340 1.00 0.00 H new ATOM 0 HA LYS A 93 15.689 12.410 -17.835 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.799 11.006 -16.130 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.663 9.663 -17.247 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.381 10.851 -16.773 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.674 9.849 -15.521 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.181 8.200 -17.554 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.470 9.099 -18.329 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.868 7.659 -17.276 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.574 8.633 -15.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.065 6.538 -15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.524 7.077 -15.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.403 6.035 -16.590 1.00 0.00 H new ATOM 1361 N TYR A 94 17.796 13.276 -18.717 1.00 0.00 N ATOM 1362 CA TYR A 94 19.064 13.857 -19.137 1.00 0.00 C ATOM 1363 C TYR A 94 19.654 14.736 -18.039 1.00 0.00 C ATOM 1364 O TYR A 94 19.056 14.905 -16.976 1.00 0.00 O ATOM 1365 CB TYR A 94 18.854 14.691 -20.403 1.00 0.00 C ATOM 1366 CG TYR A 94 17.928 15.871 -20.199 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.398 17.057 -19.649 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.588 15.801 -20.558 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.558 18.140 -19.462 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.742 16.878 -20.374 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.232 18.044 -19.826 1.00 0.00 C ATOM 1372 OH TYR A 94 15.394 19.120 -19.642 1.00 0.00 O ATOM 0 H TYR A 94 17.069 13.962 -18.515 1.00 0.00 H new ATOM 0 HA TYR A 94 19.762 13.045 -19.341 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.820 15.053 -20.755 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.448 14.052 -21.187 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.436 17.135 -19.363 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.201 14.889 -20.988 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.939 19.055 -19.033 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.702 16.807 -20.658 1.00 0.00 H new ATOM 0 HH TYR A 94 14.493 18.889 -19.951 1.00 0.00 H new ATOM 1382 N SER A 95 20.826 15.302 -18.308 1.00 0.00 N ATOM 1383 CA SER A 95 21.491 16.176 -17.350 1.00 0.00 C ATOM 1384 C SER A 95 21.839 17.510 -17.991 1.00 0.00 C ATOM 1385 O SER A 95 21.392 17.817 -19.095 1.00 0.00 O ATOM 1386 CB SER A 95 22.760 15.520 -16.805 1.00 0.00 C ATOM 1387 OG SER A 95 23.920 16.172 -17.292 1.00 0.00 O ATOM 0 H SER A 95 21.335 15.171 -19.182 1.00 0.00 H new ATOM 0 HA SER A 95 20.802 16.349 -16.524 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.751 15.553 -15.716 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.782 14.469 -17.092 1.00 0.00 H new ATOM 0 HG SER A 95 24.195 15.762 -18.138 1.00 0.00 H new ATOM 1393 N PHE A 96 22.642 18.298 -17.293 1.00 0.00 N ATOM 1394 CA PHE A 96 23.050 19.603 -17.795 1.00 0.00 C ATOM 1395 C PHE A 96 24.567 19.716 -17.861 1.00 0.00 C ATOM 1396 O PHE A 96 25.286 18.755 -17.587 1.00 0.00 O ATOM 1397 CB PHE A 96 22.485 20.712 -16.905 1.00 0.00 C ATOM 1398 CG PHE A 96 21.140 21.213 -17.349 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.861 21.393 -18.695 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.156 21.507 -16.420 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.626 21.856 -19.105 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.918 21.971 -16.823 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.654 22.146 -18.168 1.00 0.00 C ATOM 0 H PHE A 96 23.024 18.058 -16.378 1.00 0.00 H new ATOM 0 HA PHE A 96 22.653 19.714 -18.804 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.406 20.341 -15.883 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.187 21.546 -16.888 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.618 21.169 -19.432 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.358 21.372 -15.368 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.421 21.991 -20.157 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.159 22.196 -16.089 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.688 22.509 -18.486 1.00 0.00 H new ATOM 1413 N CYS A 97 25.048 20.899 -18.225 1.00 0.00 N ATOM 1414 CA CYS A 97 26.481 21.145 -18.326 1.00 0.00 C ATOM 1415 C CYS A 97 26.780 22.636 -18.227 1.00 0.00 C ATOM 1416 O CYS A 97 26.125 23.456 -18.870 1.00 0.00 O ATOM 1417 CB CYS A 97 27.029 20.592 -19.640 1.00 0.00 C ATOM 1418 SG CYS A 97 26.907 18.781 -19.798 1.00 0.00 S ATOM 0 H CYS A 97 24.465 21.704 -18.455 1.00 0.00 H new ATOM 0 HA CYS A 97 26.970 20.634 -17.497 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.492 21.055 -20.468 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.075 20.884 -19.736 1.00 0.00 H new ATOM 1423 N THR A 98 27.774 22.977 -17.420 1.00 0.00 N ATOM 1424 CA THR A 98 28.168 24.368 -17.233 1.00 0.00 C ATOM 1425 C THR A 98 28.723 24.955 -18.525 1.00 0.00 C ATOM 1426 O THR A 98 28.781 26.174 -18.689 1.00 0.00 O ATOM 1427 CB THR A 98 29.227 24.517 -16.123 1.00 0.00 C ATOM 1428 OG1 THR A 98 30.540 24.521 -16.695 1.00 0.00 O ATOM 1429 CG2 THR A 98 29.114 23.389 -15.108 1.00 0.00 C ATOM 0 H THR A 98 28.325 22.308 -16.882 1.00 0.00 H new ATOM 0 HA THR A 98 27.270 24.911 -16.939 1.00 0.00 H new ATOM 0 HB THR A 98 29.051 25.463 -15.611 1.00 0.00 H new ATOM 0 HG1 THR A 98 31.207 24.618 -15.983 1.00 0.00 H new ATOM 0 HG21 THR A 98 29.872 23.517 -14.335 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.124 23.408 -14.652 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.265 22.433 -15.609 1.00 0.00 H new