USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 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 83 SER OG : rot -125:sc= 0.358 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 167:sc= -6.29! (180deg=-7.96!) USER MOD Set 2.1: A 3 HIS : no HE2:sc= -1.56 K(o=-1.6,f=-6.2!) USER MOD Set 2.2: A 13 SER OG : rot -107:sc= -0.0845 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 8 SER OG : rot -59:sc= 1.03 USER MOD Single : A 12 TYR OH : rot -65:sc= 1.35 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0712 K(o=-0.071,f=-0.97) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 34 ASN : amide:sc= -4.48! C(o=-4.5!,f=-10!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 46 THR OG1 : rot 116:sc= 0.252 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.623 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.135 K(o=-0.13,f=-0.93) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.231 X(o=0.23,f=-0.0079) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.522 USER MOD Single : A 71 THR OG1 : rot 157:sc= -0.0316 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.665 K(o=-0.67,f=-1.5!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 85 THR OG1 : rot 37:sc= 0.16 USER MOD Single : A 86 SER OG : rot 180:sc= -0.167 USER MOD Single : A 87 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.2) USER MOD Single : A 88 TYR OH : rot 20:sc= 0.0311 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0.097) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -75:sc= -2.52! USER MOD Single : A 98 THR OG1 : rot -63:sc= 0.898 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 44.876 1.863 -40.639 1.00 0.00 N ATOM 32 CA HIS A 3 43.872 1.859 -39.585 1.00 0.00 C ATOM 33 C HIS A 3 44.491 2.239 -38.244 1.00 0.00 C ATOM 34 O HIS A 3 45.714 2.261 -38.099 1.00 0.00 O ATOM 35 CB HIS A 3 43.223 0.479 -39.483 1.00 0.00 C ATOM 36 CG HIS A 3 41.972 0.343 -40.291 1.00 0.00 C ATOM 37 ND1 HIS A 3 41.884 0.726 -41.613 1.00 0.00 N ATOM 38 CD2 HIS A 3 40.751 -0.140 -39.960 1.00 0.00 C ATOM 39 CE1 HIS A 3 40.665 0.484 -42.059 1.00 0.00 C ATOM 40 NE2 HIS A 3 39.958 -0.043 -41.077 1.00 0.00 N ATOM 0 HA HIS A 3 43.111 2.597 -39.837 1.00 0.00 H new ATOM 0 HB2 HIS A 3 43.940 -0.275 -39.809 1.00 0.00 H new ATOM 0 HB3 HIS A 3 42.995 0.271 -38.438 1.00 0.00 H new ATOM 0 HD1 HIS A 3 42.642 1.133 -42.161 1.00 0.00 H new ATOM 0 HD2 HIS A 3 40.456 -0.529 -38.997 1.00 0.00 H new ATOM 0 HE1 HIS A 3 40.307 0.684 -43.058 1.00 0.00 H new ATOM 49 N CYS A 4 43.642 2.532 -37.266 1.00 0.00 N ATOM 50 CA CYS A 4 44.113 2.905 -35.935 1.00 0.00 C ATOM 51 C CYS A 4 43.758 1.828 -34.916 1.00 0.00 C ATOM 52 O CYS A 4 42.800 1.079 -35.098 1.00 0.00 O ATOM 53 CB CYS A 4 43.516 4.250 -35.515 1.00 0.00 C ATOM 54 SG CYS A 4 41.938 4.651 -36.338 1.00 0.00 S ATOM 0 H CYS A 4 42.627 2.519 -37.368 1.00 0.00 H new ATOM 0 HA CYS A 4 45.198 3.000 -35.971 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.360 4.246 -34.436 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.237 5.039 -35.730 1.00 0.00 H new ATOM 59 N VAL A 5 44.540 1.754 -33.845 1.00 0.00 N ATOM 60 CA VAL A 5 44.310 0.766 -32.799 1.00 0.00 C ATOM 61 C VAL A 5 44.716 1.310 -31.434 1.00 0.00 C ATOM 62 O VAL A 5 45.610 2.150 -31.331 1.00 0.00 O ATOM 63 CB VAL A 5 45.090 -0.534 -33.072 1.00 0.00 C ATOM 64 CG1 VAL A 5 44.454 -1.705 -32.339 1.00 0.00 C ATOM 65 CG2 VAL A 5 45.167 -0.806 -34.566 1.00 0.00 C ATOM 0 H VAL A 5 45.339 2.366 -33.679 1.00 0.00 H new ATOM 0 HA VAL A 5 43.242 0.547 -32.799 1.00 0.00 H new ATOM 0 HB VAL A 5 46.106 -0.412 -32.696 1.00 0.00 H new ATOM 0 HG11 VAL A 5 45.020 -2.614 -32.545 1.00 0.00 H new ATOM 0 HG12 VAL A 5 44.459 -1.509 -31.267 1.00 0.00 H new ATOM 0 HG13 VAL A 5 43.426 -1.832 -32.679 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.722 -1.728 -34.740 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.160 -0.907 -34.970 1.00 0.00 H new ATOM 0 HG23 VAL A 5 45.675 0.022 -35.061 1.00 0.00 H new ATOM 75 N THR A 6 44.055 0.826 -30.388 1.00 0.00 N ATOM 76 CA THR A 6 44.349 1.265 -29.029 1.00 0.00 C ATOM 77 C THR A 6 45.537 0.504 -28.453 1.00 0.00 C ATOM 78 O THR A 6 46.450 1.101 -27.881 1.00 0.00 O ATOM 79 CB THR A 6 43.134 1.077 -28.103 1.00 0.00 C ATOM 80 OG1 THR A 6 42.817 -0.315 -27.983 1.00 0.00 O ATOM 81 CG2 THR A 6 41.926 1.832 -28.638 1.00 0.00 C ATOM 0 H THR A 6 43.312 0.130 -30.455 1.00 0.00 H new ATOM 0 HA THR A 6 44.592 2.326 -29.084 1.00 0.00 H new ATOM 0 HB THR A 6 43.389 1.476 -27.121 1.00 0.00 H new ATOM 0 HG1 THR A 6 42.044 -0.425 -27.391 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.079 1.685 -27.968 1.00 0.00 H new ATOM 0 HG22 THR A 6 42.159 2.895 -28.700 1.00 0.00 H new ATOM 0 HG23 THR A 6 41.673 1.458 -29.630 1.00 0.00 H new ATOM 89 N ASP A 7 45.522 -0.816 -28.610 1.00 0.00 N ATOM 90 CA ASP A 7 46.601 -1.657 -28.107 1.00 0.00 C ATOM 91 C ASP A 7 46.518 -3.063 -28.693 1.00 0.00 C ATOM 92 O ASP A 7 47.520 -3.620 -29.141 1.00 0.00 O ATOM 93 CB ASP A 7 46.554 -1.724 -26.580 1.00 0.00 C ATOM 94 CG ASP A 7 47.922 -1.958 -25.970 1.00 0.00 C ATOM 95 OD1 ASP A 7 48.352 -3.130 -25.907 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.565 -0.970 -25.556 1.00 0.00 O ATOM 0 H ASP A 7 44.775 -1.326 -29.081 1.00 0.00 H new ATOM 0 HA ASP A 7 47.547 -1.212 -28.416 1.00 0.00 H new ATOM 0 HB2 ASP A 7 46.140 -0.794 -26.191 1.00 0.00 H new ATOM 0 HB3 ASP A 7 45.881 -2.525 -26.275 1.00 0.00 H new ATOM 101 N SER A 8 45.317 -3.630 -28.685 1.00 0.00 N ATOM 102 CA SER A 8 45.103 -4.972 -29.216 1.00 0.00 C ATOM 103 C SER A 8 43.676 -5.444 -28.953 1.00 0.00 C ATOM 104 O SER A 8 43.461 -6.527 -28.407 1.00 0.00 O ATOM 105 CB SER A 8 46.099 -5.953 -28.595 1.00 0.00 C ATOM 106 OG SER A 8 45.840 -7.281 -29.017 1.00 0.00 O ATOM 0 H SER A 8 44.477 -3.182 -28.317 1.00 0.00 H new ATOM 0 HA SER A 8 45.260 -4.937 -30.294 1.00 0.00 H new ATOM 0 HB2 SER A 8 47.114 -5.671 -28.875 1.00 0.00 H new ATOM 0 HB3 SER A 8 46.040 -5.896 -27.508 1.00 0.00 H new ATOM 0 HG SER A 8 44.927 -7.533 -28.764 1.00 0.00 H new ATOM 112 N GLY A 9 42.705 -4.627 -29.346 1.00 0.00 N ATOM 113 CA GLY A 9 41.311 -4.978 -29.145 1.00 0.00 C ATOM 114 C GLY A 9 40.391 -4.267 -30.115 1.00 0.00 C ATOM 115 O GLY A 9 39.565 -4.896 -30.777 1.00 0.00 O ATOM 0 H GLY A 9 42.858 -3.727 -29.801 1.00 0.00 H new ATOM 0 HA2 GLY A 9 41.191 -6.055 -29.258 1.00 0.00 H new ATOM 0 HA3 GLY A 9 41.020 -4.730 -28.124 1.00 0.00 H new ATOM 119 N VAL A 10 40.538 -2.952 -30.200 1.00 0.00 N ATOM 120 CA VAL A 10 39.718 -2.145 -31.094 1.00 0.00 C ATOM 121 C VAL A 10 40.543 -1.610 -32.259 1.00 0.00 C ATOM 122 O VAL A 10 41.379 -0.722 -32.086 1.00 0.00 O ATOM 123 CB VAL A 10 39.070 -0.962 -30.353 1.00 0.00 C ATOM 124 CG1 VAL A 10 38.356 -0.043 -31.331 1.00 0.00 C ATOM 125 CG2 VAL A 10 38.111 -1.465 -29.285 1.00 0.00 C ATOM 0 H VAL A 10 41.220 -2.420 -29.659 1.00 0.00 H new ATOM 0 HA VAL A 10 38.932 -2.797 -31.475 1.00 0.00 H new ATOM 0 HB VAL A 10 39.857 -0.389 -29.863 1.00 0.00 H new ATOM 0 HG11 VAL A 10 37.905 0.787 -30.787 1.00 0.00 H new ATOM 0 HG12 VAL A 10 39.072 0.345 -32.055 1.00 0.00 H new ATOM 0 HG13 VAL A 10 37.578 -0.601 -31.853 1.00 0.00 H new ATOM 0 HG21 VAL A 10 37.661 -0.616 -28.771 1.00 0.00 H new ATOM 0 HG22 VAL A 10 37.328 -2.063 -29.752 1.00 0.00 H new ATOM 0 HG23 VAL A 10 38.655 -2.078 -28.566 1.00 0.00 H new ATOM 135 N VAL A 11 40.304 -2.156 -33.446 1.00 0.00 N ATOM 136 CA VAL A 11 41.023 -1.735 -34.639 1.00 0.00 C ATOM 137 C VAL A 11 40.283 -0.614 -35.359 1.00 0.00 C ATOM 138 O VAL A 11 39.590 -0.849 -36.349 1.00 0.00 O ATOM 139 CB VAL A 11 41.233 -2.909 -35.616 1.00 0.00 C ATOM 140 CG1 VAL A 11 41.737 -2.406 -36.960 1.00 0.00 C ATOM 141 CG2 VAL A 11 42.196 -3.927 -35.024 1.00 0.00 C ATOM 0 H VAL A 11 39.616 -2.892 -33.606 1.00 0.00 H new ATOM 0 HA VAL A 11 41.996 -1.371 -34.309 1.00 0.00 H new ATOM 0 HB VAL A 11 40.273 -3.399 -35.777 1.00 0.00 H new ATOM 0 HG11 VAL A 11 41.879 -3.250 -37.635 1.00 0.00 H new ATOM 0 HG12 VAL A 11 41.008 -1.718 -37.388 1.00 0.00 H new ATOM 0 HG13 VAL A 11 42.686 -1.889 -36.822 1.00 0.00 H new ATOM 0 HG21 VAL A 11 42.333 -4.749 -35.726 1.00 0.00 H new ATOM 0 HG22 VAL A 11 43.157 -3.450 -34.832 1.00 0.00 H new ATOM 0 HG23 VAL A 11 41.789 -4.312 -34.089 1.00 0.00 H new ATOM 151 N TYR A 12 40.440 0.606 -34.858 1.00 0.00 N ATOM 152 CA TYR A 12 39.793 1.766 -35.454 1.00 0.00 C ATOM 153 C TYR A 12 40.237 1.940 -36.903 1.00 0.00 C ATOM 154 O TYR A 12 40.893 1.067 -37.469 1.00 0.00 O ATOM 155 CB TYR A 12 40.123 3.029 -34.653 1.00 0.00 C ATOM 156 CG TYR A 12 39.477 3.073 -33.291 1.00 0.00 C ATOM 157 CD1 TYR A 12 38.122 3.347 -33.153 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.220 2.842 -32.143 1.00 0.00 C ATOM 159 CE1 TYR A 12 37.525 3.388 -31.907 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.632 2.879 -30.892 1.00 0.00 C ATOM 161 CZ TYR A 12 38.285 3.152 -30.780 1.00 0.00 C ATOM 162 OH TYR A 12 37.696 3.192 -29.537 1.00 0.00 O ATOM 0 H TYR A 12 41.011 0.816 -34.039 1.00 0.00 H new ATOM 0 HA TYR A 12 38.715 1.605 -35.434 1.00 0.00 H new ATOM 0 HB2 TYR A 12 41.204 3.100 -34.534 1.00 0.00 H new ATOM 0 HB3 TYR A 12 39.807 3.902 -35.223 1.00 0.00 H new ATOM 0 HD1 TYR A 12 37.525 3.531 -34.034 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.276 2.630 -32.227 1.00 0.00 H new ATOM 0 HE1 TYR A 12 36.471 3.603 -31.816 1.00 0.00 H new ATOM 0 HE2 TYR A 12 40.224 2.695 -30.008 1.00 0.00 H new ATOM 0 HH TYR A 12 37.386 4.103 -29.351 1.00 0.00 H new ATOM 172 N SER A 13 39.879 3.072 -37.498 1.00 0.00 N ATOM 173 CA SER A 13 40.243 3.357 -38.878 1.00 0.00 C ATOM 174 C SER A 13 40.688 4.805 -39.033 1.00 0.00 C ATOM 175 O SER A 13 40.183 5.694 -38.349 1.00 0.00 O ATOM 176 CB SER A 13 39.066 3.070 -39.808 1.00 0.00 C ATOM 177 OG SER A 13 38.686 1.707 -39.746 1.00 0.00 O ATOM 0 H SER A 13 39.336 3.807 -37.045 1.00 0.00 H new ATOM 0 HA SER A 13 41.076 2.709 -39.150 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.220 3.699 -39.533 1.00 0.00 H new ATOM 0 HB3 SER A 13 39.336 3.329 -40.832 1.00 0.00 H new ATOM 0 HG SER A 13 38.960 1.253 -40.570 1.00 0.00 H new ATOM 183 N VAL A 14 41.640 5.031 -39.932 1.00 0.00 N ATOM 184 CA VAL A 14 42.162 6.370 -40.178 1.00 0.00 C ATOM 185 C VAL A 14 41.042 7.403 -40.241 1.00 0.00 C ATOM 186 O VAL A 14 40.527 7.708 -41.317 1.00 0.00 O ATOM 187 CB VAL A 14 42.967 6.421 -41.489 1.00 0.00 C ATOM 188 CG1 VAL A 14 42.157 5.838 -42.636 1.00 0.00 C ATOM 189 CG2 VAL A 14 43.392 7.848 -41.799 1.00 0.00 C ATOM 0 H VAL A 14 42.067 4.302 -40.504 1.00 0.00 H new ATOM 0 HA VAL A 14 42.819 6.610 -39.342 1.00 0.00 H new ATOM 0 HB VAL A 14 43.866 5.817 -41.366 1.00 0.00 H new ATOM 0 HG11 VAL A 14 42.742 5.883 -43.554 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.908 4.800 -42.415 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.239 6.413 -42.762 1.00 0.00 H new ATOM 0 HG21 VAL A 14 43.960 7.865 -42.729 1.00 0.00 H new ATOM 0 HG22 VAL A 14 42.508 8.477 -41.903 1.00 0.00 H new ATOM 0 HG23 VAL A 14 44.013 8.227 -40.988 1.00 0.00 H new ATOM 199 N GLY A 15 40.676 7.941 -39.083 1.00 0.00 N ATOM 200 CA GLY A 15 39.625 8.940 -39.028 1.00 0.00 C ATOM 201 C GLY A 15 38.297 8.373 -38.565 1.00 0.00 C ATOM 202 O GLY A 15 37.244 8.736 -39.089 1.00 0.00 O ATOM 0 H GLY A 15 41.088 7.703 -38.181 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.927 9.741 -38.354 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.500 9.384 -40.016 1.00 0.00 H new ATOM 206 N MET A 16 38.343 7.486 -37.578 1.00 0.00 N ATOM 207 CA MET A 16 37.132 6.875 -37.046 1.00 0.00 C ATOM 208 C MET A 16 36.620 7.651 -35.837 1.00 0.00 C ATOM 209 O MET A 16 35.414 7.724 -35.600 1.00 0.00 O ATOM 210 CB MET A 16 37.396 5.419 -36.656 1.00 0.00 C ATOM 211 CG MET A 16 36.938 4.416 -37.703 1.00 0.00 C ATOM 212 SD MET A 16 35.304 3.741 -37.350 1.00 0.00 S ATOM 213 CE MET A 16 35.742 2.248 -36.462 1.00 0.00 C ATOM 0 H MET A 16 39.205 7.174 -37.131 1.00 0.00 H new ATOM 0 HA MET A 16 36.370 6.902 -37.825 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.464 5.286 -36.480 1.00 0.00 H new ATOM 0 HB3 MET A 16 36.889 5.206 -35.715 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.924 4.898 -38.681 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.659 3.601 -37.759 1.00 0.00 H new ATOM 0 HE1 MET A 16 34.835 1.717 -36.174 1.00 0.00 H new ATOM 0 HE2 MET A 16 36.349 1.609 -37.103 1.00 0.00 H new ATOM 0 HE3 MET A 16 36.309 2.509 -35.568 1.00 0.00 H new ATOM 223 N GLN A 17 37.545 8.228 -35.077 1.00 0.00 N ATOM 224 CA GLN A 17 37.191 8.998 -33.890 1.00 0.00 C ATOM 225 C GLN A 17 36.402 8.143 -32.905 1.00 0.00 C ATOM 226 O GLN A 17 35.515 7.384 -33.297 1.00 0.00 O ATOM 227 CB GLN A 17 36.376 10.233 -34.278 1.00 0.00 C ATOM 228 CG GLN A 17 37.072 11.545 -33.954 1.00 0.00 C ATOM 229 CD GLN A 17 36.114 12.719 -33.910 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.927 12.579 -34.205 1.00 0.00 O ATOM 231 NE2 GLN A 17 36.627 13.887 -33.541 1.00 0.00 N ATOM 0 H GLN A 17 38.547 8.177 -35.262 1.00 0.00 H new ATOM 0 HA GLN A 17 38.114 9.320 -33.408 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.164 10.198 -35.347 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.417 10.202 -33.761 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.576 11.456 -32.992 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.842 11.737 -34.701 1.00 0.00 H new ATOM 0 HE21 GLN A 17 37.617 13.958 -33.305 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.031 14.714 -33.493 1.00 0.00 H new ATOM 240 N TRP A 18 36.729 8.271 -31.624 1.00 0.00 N ATOM 241 CA TRP A 18 36.048 7.508 -30.587 1.00 0.00 C ATOM 242 C TRP A 18 36.238 8.154 -29.219 1.00 0.00 C ATOM 243 O TRP A 18 36.887 9.194 -29.095 1.00 0.00 O ATOM 244 CB TRP A 18 36.558 6.066 -30.566 1.00 0.00 C ATOM 245 CG TRP A 18 37.918 5.925 -29.954 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.210 5.841 -28.624 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.169 5.851 -30.648 1.00 0.00 C ATOM 248 NE1 TRP A 18 39.566 5.718 -28.448 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.178 5.722 -29.674 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.536 5.881 -31.998 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.527 5.624 -30.009 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.875 5.782 -32.326 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.855 5.655 -31.336 1.00 0.00 C ATOM 0 H TRP A 18 37.460 8.894 -31.280 1.00 0.00 H new ATOM 0 HA TRP A 18 34.982 7.502 -30.816 1.00 0.00 H new ATOM 0 HB2 TRP A 18 35.852 5.447 -30.012 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.585 5.683 -31.586 1.00 0.00 H new ATOM 0 HD1 TRP A 18 37.482 5.867 -27.827 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.041 5.637 -27.549 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.787 5.980 -32.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.287 5.527 -29.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.170 5.803 -33.365 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.893 5.580 -31.626 1.00 0.00 H new ATOM 264 N LEU A 19 35.664 7.533 -28.194 1.00 0.00 N ATOM 265 CA LEU A 19 35.763 8.048 -26.834 1.00 0.00 C ATOM 266 C LEU A 19 36.305 6.985 -25.886 1.00 0.00 C ATOM 267 O LEU A 19 35.956 5.809 -25.991 1.00 0.00 O ATOM 268 CB LEU A 19 34.393 8.529 -26.349 1.00 0.00 C ATOM 269 CG LEU A 19 34.427 9.554 -25.214 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.429 10.970 -25.769 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.247 9.350 -24.276 1.00 0.00 C ATOM 0 H LEU A 19 35.125 6.671 -28.280 1.00 0.00 H new ATOM 0 HA LEU A 19 36.456 8.889 -26.841 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.858 8.964 -27.194 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.818 7.664 -26.019 1.00 0.00 H new ATOM 0 HG LEU A 19 35.347 9.408 -24.648 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.453 11.684 -24.945 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.307 11.113 -26.399 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.528 11.130 -26.361 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.287 10.088 -23.475 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.316 9.468 -24.831 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.291 8.348 -23.849 1.00 0.00 H new ATOM 283 N LYS A 20 37.159 7.407 -24.961 1.00 0.00 N ATOM 284 CA LYS A 20 37.750 6.491 -23.993 1.00 0.00 C ATOM 285 C LYS A 20 37.946 7.176 -22.645 1.00 0.00 C ATOM 286 O LYS A 20 37.642 8.358 -22.489 1.00 0.00 O ATOM 287 CB LYS A 20 39.088 5.961 -24.510 1.00 0.00 C ATOM 288 CG LYS A 20 40.172 7.023 -24.586 1.00 0.00 C ATOM 289 CD LYS A 20 41.513 6.487 -24.111 1.00 0.00 C ATOM 290 CE LYS A 20 41.549 6.344 -22.599 1.00 0.00 C ATOM 291 NZ LYS A 20 42.829 6.844 -22.025 1.00 0.00 N ATOM 0 H LYS A 20 37.458 8.377 -24.861 1.00 0.00 H new ATOM 0 HA LYS A 20 37.065 5.654 -23.858 1.00 0.00 H new ATOM 0 HB2 LYS A 20 39.426 5.154 -23.860 1.00 0.00 H new ATOM 0 HB3 LYS A 20 38.941 5.531 -25.501 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.264 7.377 -25.613 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.886 7.881 -23.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.704 5.519 -24.574 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.309 7.158 -24.434 1.00 0.00 H new ATOM 0 HE2 LYS A 20 40.716 6.894 -22.162 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.415 5.296 -22.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.814 6.729 -20.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.623 6.302 -22.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 42.945 7.850 -22.260 1.00 0.00 H new ATOM 379 N GLN A 26 36.815 11.018 -18.504 1.00 0.00 N ATOM 380 CA GLN A 26 36.640 10.676 -19.910 1.00 0.00 C ATOM 381 C GLN A 26 37.751 11.282 -20.760 1.00 0.00 C ATOM 382 O GLN A 26 38.389 12.257 -20.363 1.00 0.00 O ATOM 383 CB GLN A 26 35.278 11.162 -20.408 1.00 0.00 C ATOM 384 CG GLN A 26 34.107 10.638 -19.591 1.00 0.00 C ATOM 385 CD GLN A 26 32.948 11.614 -19.539 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.853 12.527 -20.360 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.061 11.427 -18.571 1.00 0.00 N ATOM 0 HA GLN A 26 36.688 9.591 -20.003 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.263 12.252 -20.392 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.151 10.857 -21.447 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.764 9.695 -20.018 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.443 10.425 -18.576 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.179 10.657 -17.913 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.260 12.053 -18.485 1.00 0.00 H new ATOM 396 N MET A 27 37.977 10.695 -21.929 1.00 0.00 N ATOM 397 CA MET A 27 39.010 11.175 -22.838 1.00 0.00 C ATOM 398 C MET A 27 38.647 10.855 -24.284 1.00 0.00 C ATOM 399 O MET A 27 38.393 9.701 -24.630 1.00 0.00 O ATOM 400 CB MET A 27 40.359 10.548 -22.482 1.00 0.00 C ATOM 401 CG MET A 27 41.448 11.570 -22.205 1.00 0.00 C ATOM 402 SD MET A 27 43.046 10.809 -21.861 1.00 0.00 S ATOM 403 CE MET A 27 44.158 12.134 -22.325 1.00 0.00 C ATOM 0 H MET A 27 37.458 9.885 -22.270 1.00 0.00 H new ATOM 0 HA MET A 27 39.084 12.257 -22.733 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.235 9.914 -21.604 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.678 9.902 -23.300 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.544 12.234 -23.064 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.154 12.187 -21.356 1.00 0.00 H new ATOM 0 HE1 MET A 27 45.189 11.816 -22.169 1.00 0.00 H new ATOM 0 HE2 MET A 27 44.010 12.382 -23.376 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.953 13.012 -21.713 1.00 0.00 H new ATOM 413 N LEU A 28 38.622 11.885 -25.124 1.00 0.00 N ATOM 414 CA LEU A 28 38.286 11.709 -26.533 1.00 0.00 C ATOM 415 C LEU A 28 39.532 11.394 -27.350 1.00 0.00 C ATOM 416 O LEU A 28 40.452 12.206 -27.431 1.00 0.00 O ATOM 417 CB LEU A 28 37.609 12.967 -27.081 1.00 0.00 C ATOM 418 CG LEU A 28 36.760 12.748 -28.333 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.300 13.063 -28.050 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.278 13.599 -29.483 1.00 0.00 C ATOM 0 H LEU A 28 38.829 12.847 -24.855 1.00 0.00 H new ATOM 0 HA LEU A 28 37.595 10.870 -26.614 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.977 13.391 -26.301 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.377 13.707 -27.306 1.00 0.00 H new ATOM 0 HG LEU A 28 36.834 11.699 -28.621 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.711 12.901 -28.953 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.934 12.411 -27.257 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.206 14.103 -27.737 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.662 13.431 -30.366 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.234 14.652 -29.205 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.310 13.325 -29.703 1.00 0.00 H new ATOM 432 N CYS A 29 39.557 10.208 -27.949 1.00 0.00 N ATOM 433 CA CYS A 29 40.695 9.783 -28.756 1.00 0.00 C ATOM 434 C CYS A 29 40.385 9.896 -30.247 1.00 0.00 C ATOM 435 O CYS A 29 39.243 9.717 -30.669 1.00 0.00 O ATOM 436 CB CYS A 29 41.074 8.342 -28.413 1.00 0.00 C ATOM 437 SG CYS A 29 42.198 8.185 -26.986 1.00 0.00 S ATOM 0 H CYS A 29 38.802 9.524 -27.891 1.00 0.00 H new ATOM 0 HA CYS A 29 41.534 10.441 -28.529 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.164 7.778 -28.209 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.544 7.885 -29.284 1.00 0.00 H new ATOM 442 N THR A 30 41.413 10.189 -31.037 1.00 0.00 N ATOM 443 CA THR A 30 41.256 10.321 -32.482 1.00 0.00 C ATOM 444 C THR A 30 42.515 9.881 -33.213 1.00 0.00 C ATOM 445 O THR A 30 43.625 10.257 -32.835 1.00 0.00 O ATOM 446 CB THR A 30 40.939 11.771 -32.893 1.00 0.00 C ATOM 447 OG1 THR A 30 39.754 12.225 -32.228 1.00 0.00 O ATOM 448 CG2 THR A 30 40.753 11.875 -34.402 1.00 0.00 C ATOM 0 H THR A 30 42.364 10.340 -30.701 1.00 0.00 H new ATOM 0 HA THR A 30 40.421 9.678 -32.760 1.00 0.00 H new ATOM 0 HB THR A 30 41.780 12.400 -32.600 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.562 13.148 -32.495 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.530 12.908 -34.671 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.667 11.559 -34.904 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.928 11.233 -34.712 1.00 0.00 H new ATOM 456 N CYS A 31 42.341 9.097 -34.269 1.00 0.00 N ATOM 457 CA CYS A 31 43.472 8.630 -35.054 1.00 0.00 C ATOM 458 C CYS A 31 43.596 9.441 -36.336 1.00 0.00 C ATOM 459 O CYS A 31 42.784 9.307 -37.252 1.00 0.00 O ATOM 460 CB CYS A 31 43.338 7.142 -35.375 1.00 0.00 C ATOM 461 SG CYS A 31 41.724 6.649 -36.050 1.00 0.00 S ATOM 0 H CYS A 31 41.432 8.773 -34.599 1.00 0.00 H new ATOM 0 HA CYS A 31 44.377 8.768 -34.463 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.114 6.868 -36.090 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.526 6.570 -34.466 1.00 0.00 H new ATOM 466 N LEU A 32 44.612 10.291 -36.384 1.00 0.00 N ATOM 467 CA LEU A 32 44.846 11.142 -37.544 1.00 0.00 C ATOM 468 C LEU A 32 45.527 10.362 -38.665 1.00 0.00 C ATOM 469 O LEU A 32 44.862 9.725 -39.480 1.00 0.00 O ATOM 470 CB LEU A 32 45.698 12.354 -37.154 1.00 0.00 C ATOM 471 CG LEU A 32 46.625 12.140 -35.955 1.00 0.00 C ATOM 472 CD1 LEU A 32 47.916 12.921 -36.129 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.924 12.538 -34.664 1.00 0.00 C ATOM 0 H LEU A 32 45.290 10.410 -35.631 1.00 0.00 H new ATOM 0 HA LEU A 32 43.879 11.491 -37.907 1.00 0.00 H new ATOM 0 HB2 LEU A 32 46.303 12.645 -38.013 1.00 0.00 H new ATOM 0 HB3 LEU A 32 45.033 13.190 -36.935 1.00 0.00 H new ATOM 0 HG LEU A 32 46.875 11.081 -35.898 1.00 0.00 H new ATOM 0 HD11 LEU A 32 48.561 12.755 -35.266 1.00 0.00 H new ATOM 0 HD12 LEU A 32 48.425 12.585 -37.032 1.00 0.00 H new ATOM 0 HD13 LEU A 32 47.690 13.984 -36.214 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.597 12.380 -33.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 45.643 13.590 -34.712 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.029 11.929 -34.533 1.00 0.00 H new ATOM 485 N GLY A 33 46.855 10.417 -38.703 1.00 0.00 N ATOM 486 CA GLY A 33 47.593 9.710 -39.732 1.00 0.00 C ATOM 487 C GLY A 33 48.839 9.036 -39.195 1.00 0.00 C ATOM 488 O GLY A 33 49.147 7.902 -39.563 1.00 0.00 O ATOM 0 H GLY A 33 47.431 10.937 -38.041 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.946 8.960 -40.188 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.873 10.410 -40.519 1.00 0.00 H new ATOM 492 N ASN A 34 49.556 9.735 -38.325 1.00 0.00 N ATOM 493 CA ASN A 34 50.776 9.198 -37.736 1.00 0.00 C ATOM 494 C ASN A 34 50.457 8.229 -36.605 1.00 0.00 C ATOM 495 O ASN A 34 51.070 7.167 -36.491 1.00 0.00 O ATOM 496 CB ASN A 34 51.660 10.334 -37.216 1.00 0.00 C ATOM 497 CG ASN A 34 50.860 11.416 -36.518 1.00 0.00 C ATOM 498 OD1 ASN A 34 50.303 12.305 -37.162 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.799 11.344 -35.193 1.00 0.00 N ATOM 0 H ASN A 34 49.314 10.675 -38.011 1.00 0.00 H new ATOM 0 HA ASN A 34 51.313 8.654 -38.513 1.00 0.00 H new ATOM 0 HB2 ASN A 34 52.398 9.929 -36.524 1.00 0.00 H new ATOM 0 HB3 ASN A 34 52.210 10.773 -38.048 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.275 12.044 -34.668 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.277 10.589 -34.701 1.00 0.00 H new ATOM 506 N GLY A 35 49.495 8.602 -35.769 1.00 0.00 N ATOM 507 CA GLY A 35 49.114 7.751 -34.656 1.00 0.00 C ATOM 508 C GLY A 35 47.704 8.023 -34.166 1.00 0.00 C ATOM 509 O GLY A 35 46.757 8.036 -34.951 1.00 0.00 O ATOM 0 H GLY A 35 48.973 9.475 -35.841 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.194 6.707 -34.959 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.815 7.899 -33.834 1.00 0.00 H new ATOM 513 N VAL A 36 47.569 8.238 -32.861 1.00 0.00 N ATOM 514 CA VAL A 36 46.270 8.509 -32.259 1.00 0.00 C ATOM 515 C VAL A 36 46.377 9.625 -31.220 1.00 0.00 C ATOM 516 O VAL A 36 47.097 9.498 -30.228 1.00 0.00 O ATOM 517 CB VAL A 36 45.676 7.231 -31.608 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.773 7.564 -30.426 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.912 6.419 -32.640 1.00 0.00 C ATOM 0 H VAL A 36 48.346 8.230 -32.200 1.00 0.00 H new ATOM 0 HA VAL A 36 45.599 8.833 -33.054 1.00 0.00 H new ATOM 0 HB VAL A 36 46.509 6.638 -31.230 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.378 6.642 -29.999 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.347 8.098 -29.669 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.947 8.190 -30.764 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.501 5.526 -32.169 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.100 7.021 -33.048 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.586 6.127 -33.445 1.00 0.00 H new ATOM 529 N SER A 37 45.651 10.713 -31.454 1.00 0.00 N ATOM 530 CA SER A 37 45.657 11.848 -30.541 1.00 0.00 C ATOM 531 C SER A 37 44.300 11.994 -29.861 1.00 0.00 C ATOM 532 O SER A 37 43.260 11.979 -30.520 1.00 0.00 O ATOM 533 CB SER A 37 46.004 13.135 -31.293 1.00 0.00 C ATOM 534 OG SER A 37 46.570 14.099 -30.423 1.00 0.00 O ATOM 0 H SER A 37 45.050 10.832 -32.270 1.00 0.00 H new ATOM 0 HA SER A 37 46.415 11.669 -29.778 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.704 12.912 -32.098 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.105 13.542 -31.756 1.00 0.00 H new ATOM 0 HG SER A 37 46.784 14.911 -30.929 1.00 0.00 H new ATOM 540 N CYS A 38 44.315 12.129 -28.541 1.00 0.00 N ATOM 541 CA CYS A 38 43.081 12.271 -27.776 1.00 0.00 C ATOM 542 C CYS A 38 43.045 13.603 -27.039 1.00 0.00 C ATOM 543 O CYS A 38 44.083 14.148 -26.663 1.00 0.00 O ATOM 544 CB CYS A 38 42.940 11.118 -26.783 1.00 0.00 C ATOM 545 SG CYS A 38 43.656 9.546 -27.362 1.00 0.00 S ATOM 0 H CYS A 38 45.166 12.143 -27.978 1.00 0.00 H new ATOM 0 HA CYS A 38 42.244 12.245 -28.474 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.419 11.400 -25.845 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.882 10.966 -26.567 1.00 0.00 H new ATOM 550 N GLN A 39 41.839 14.120 -26.834 1.00 0.00 N ATOM 551 CA GLN A 39 41.657 15.387 -26.138 1.00 0.00 C ATOM 552 C GLN A 39 40.972 15.168 -24.795 1.00 0.00 C ATOM 553 O GLN A 39 39.782 14.856 -24.736 1.00 0.00 O ATOM 554 CB GLN A 39 40.833 16.351 -26.994 1.00 0.00 C ATOM 555 CG GLN A 39 40.957 17.802 -26.561 1.00 0.00 C ATOM 556 CD GLN A 39 39.794 18.652 -27.033 1.00 0.00 C ATOM 557 OE1 GLN A 39 39.033 19.185 -26.226 1.00 0.00 O ATOM 558 NE2 GLN A 39 39.650 18.782 -28.347 1.00 0.00 N ATOM 0 H GLN A 39 40.972 13.680 -27.141 1.00 0.00 H new ATOM 0 HA GLN A 39 42.640 15.823 -25.961 1.00 0.00 H new ATOM 0 HB2 GLN A 39 41.148 16.262 -28.034 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.785 16.056 -26.953 1.00 0.00 H new ATOM 0 HG2 GLN A 39 41.019 17.849 -25.474 1.00 0.00 H new ATOM 0 HG3 GLN A 39 41.887 18.216 -26.951 1.00 0.00 H new ATOM 0 HE21 GLN A 39 40.305 18.322 -28.980 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.885 19.342 -28.723 1.00 0.00 H new ATOM 636 N GLN A 45 29.791 18.487 -16.319 1.00 0.00 N ATOM 637 CA GLN A 45 28.991 18.610 -15.105 1.00 0.00 C ATOM 638 C GLN A 45 27.506 18.458 -15.410 1.00 0.00 C ATOM 639 O GLN A 45 27.078 18.601 -16.556 1.00 0.00 O ATOM 640 CB GLN A 45 29.249 19.961 -14.432 1.00 0.00 C ATOM 641 CG GLN A 45 30.724 20.272 -14.235 1.00 0.00 C ATOM 642 CD GLN A 45 30.957 21.360 -13.205 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.372 22.441 -13.283 1.00 0.00 O ATOM 644 NE2 GLN A 45 31.817 21.082 -12.233 1.00 0.00 N ATOM 0 HA GLN A 45 29.286 17.810 -14.426 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.798 20.749 -15.034 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.751 19.975 -13.463 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.245 19.366 -13.925 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.157 20.579 -15.187 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.280 20.173 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 45 32.015 21.777 -11.513 1.00 0.00 H new ATOM 653 N THR A 46 26.727 18.166 -14.376 1.00 0.00 N ATOM 654 CA THR A 46 25.288 17.993 -14.525 1.00 0.00 C ATOM 655 C THR A 46 24.542 18.647 -13.369 1.00 0.00 C ATOM 656 O THR A 46 25.096 18.827 -12.285 1.00 0.00 O ATOM 657 CB THR A 46 24.904 16.505 -14.591 1.00 0.00 C ATOM 658 OG1 THR A 46 25.545 15.786 -13.530 1.00 0.00 O ATOM 659 CG2 THR A 46 25.302 15.902 -15.930 1.00 0.00 C ATOM 0 H THR A 46 27.069 18.044 -13.423 1.00 0.00 H new ATOM 0 HA THR A 46 25.004 18.473 -15.461 1.00 0.00 H new ATOM 0 HB THR A 46 23.822 16.427 -14.482 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.866 15.431 -12.918 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.020 14.849 -15.953 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.791 16.432 -16.734 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.380 15.992 -16.064 1.00 0.00 H new ATOM 667 N TYR A 47 23.285 19.008 -13.604 1.00 0.00 N ATOM 668 CA TYR A 47 22.478 19.648 -12.572 1.00 0.00 C ATOM 669 C TYR A 47 21.009 19.716 -12.976 1.00 0.00 C ATOM 670 O TYR A 47 20.668 20.264 -14.022 1.00 0.00 O ATOM 671 CB TYR A 47 22.998 21.060 -12.302 1.00 0.00 C ATOM 672 CG TYR A 47 22.632 22.048 -13.387 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.460 22.240 -14.486 1.00 0.00 C ATOM 674 CD2 TYR A 47 21.457 22.785 -13.315 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.127 23.140 -15.482 1.00 0.00 C ATOM 676 CE2 TYR A 47 21.117 23.686 -14.306 1.00 0.00 C ATOM 677 CZ TYR A 47 21.955 23.859 -15.387 1.00 0.00 C ATOM 678 OH TYR A 47 21.618 24.753 -16.378 1.00 0.00 O ATOM 0 H TYR A 47 22.806 18.870 -14.494 1.00 0.00 H new ATOM 0 HA TYR A 47 22.557 19.046 -11.667 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.599 21.411 -11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.083 21.027 -12.200 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.379 21.677 -14.564 1.00 0.00 H new ATOM 0 HD2 TYR A 47 20.798 22.652 -12.470 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.782 23.279 -16.330 1.00 0.00 H new ATOM 0 HE2 TYR A 47 20.200 24.252 -14.234 1.00 0.00 H new ATOM 0 HH TYR A 47 20.762 25.176 -16.159 1.00 0.00 H new ATOM 688 N GLY A 48 20.143 19.166 -12.131 1.00 0.00 N ATOM 689 CA GLY A 48 18.719 19.186 -12.409 1.00 0.00 C ATOM 690 C GLY A 48 18.343 18.358 -13.619 1.00 0.00 C ATOM 691 O GLY A 48 18.608 17.156 -13.665 1.00 0.00 O ATOM 0 H GLY A 48 20.402 18.707 -11.258 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.179 18.814 -11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.399 20.216 -12.566 1.00 0.00 H new ATOM 695 N GLY A 49 17.717 19.000 -14.599 1.00 0.00 N ATOM 696 CA GLY A 49 17.306 18.297 -15.798 1.00 0.00 C ATOM 697 C GLY A 49 16.227 17.273 -15.511 1.00 0.00 C ATOM 698 O GLY A 49 15.531 17.365 -14.501 1.00 0.00 O ATOM 0 H GLY A 49 17.487 19.994 -14.584 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.939 19.015 -16.532 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.169 17.800 -16.241 1.00 0.00 H new ATOM 702 N ASN A 50 16.089 16.293 -16.395 1.00 0.00 N ATOM 703 CA ASN A 50 15.087 15.250 -16.218 1.00 0.00 C ATOM 704 C ASN A 50 15.567 14.201 -15.219 1.00 0.00 C ATOM 705 O ASN A 50 14.799 13.338 -14.794 1.00 0.00 O ATOM 706 CB ASN A 50 14.764 14.587 -17.559 1.00 0.00 C ATOM 707 CG ASN A 50 13.275 14.551 -17.841 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.675 15.562 -18.208 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.668 13.382 -17.669 1.00 0.00 N ATOM 0 H ASN A 50 16.655 16.199 -17.238 1.00 0.00 H new ATOM 0 HA ASN A 50 14.182 15.713 -15.825 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.270 15.127 -18.359 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.157 13.570 -17.563 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.666 13.297 -17.842 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.204 12.569 -17.364 1.00 0.00 H new ATOM 716 N SER A 51 16.841 14.284 -14.846 1.00 0.00 N ATOM 717 CA SER A 51 17.423 13.343 -13.897 1.00 0.00 C ATOM 718 C SER A 51 18.372 14.051 -12.932 1.00 0.00 C ATOM 719 O SER A 51 19.527 13.653 -12.787 1.00 0.00 O ATOM 720 CB SER A 51 18.170 12.234 -14.640 1.00 0.00 C ATOM 721 OG SER A 51 17.377 11.063 -14.741 1.00 0.00 O ATOM 0 H SER A 51 17.489 14.994 -15.187 1.00 0.00 H new ATOM 0 HA SER A 51 16.610 12.903 -13.319 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.442 12.580 -15.637 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.099 12.004 -14.118 1.00 0.00 H new ATOM 0 HG SER A 51 17.876 10.370 -15.221 1.00 0.00 H new ATOM 727 N ASN A 52 17.866 15.094 -12.271 1.00 0.00 N ATOM 728 CA ASN A 52 18.639 15.867 -11.310 1.00 0.00 C ATOM 729 C ASN A 52 20.138 15.777 -11.578 1.00 0.00 C ATOM 730 O ASN A 52 20.937 15.624 -10.655 1.00 0.00 O ATOM 731 CB ASN A 52 18.328 15.391 -9.900 1.00 0.00 C ATOM 732 CG ASN A 52 16.990 14.684 -9.801 1.00 0.00 C ATOM 733 OD1 ASN A 52 15.979 15.169 -10.310 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.976 13.530 -9.142 1.00 0.00 N ATOM 0 H ASN A 52 16.908 15.423 -12.390 1.00 0.00 H new ATOM 0 HA ASN A 52 18.353 16.913 -11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.116 14.716 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.333 16.245 -9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.104 13.010 -9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.837 13.164 -8.736 1.00 0.00 H new ATOM 741 N GLY A 53 20.512 15.876 -12.850 1.00 0.00 N ATOM 742 CA GLY A 53 21.913 15.806 -13.219 1.00 0.00 C ATOM 743 C GLY A 53 22.541 14.468 -12.882 1.00 0.00 C ATOM 744 O GLY A 53 23.386 14.379 -11.991 1.00 0.00 O ATOM 0 H GLY A 53 19.869 16.003 -13.632 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.012 15.990 -14.289 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.459 16.598 -12.707 1.00 0.00 H new ATOM 748 N GLU A 54 22.129 13.425 -13.595 1.00 0.00 N ATOM 749 CA GLU A 54 22.661 12.087 -13.367 1.00 0.00 C ATOM 750 C GLU A 54 23.760 11.762 -14.370 1.00 0.00 C ATOM 751 O GLU A 54 23.957 12.481 -15.350 1.00 0.00 O ATOM 752 CB GLU A 54 21.547 11.045 -13.459 1.00 0.00 C ATOM 753 CG GLU A 54 20.811 10.823 -12.148 1.00 0.00 C ATOM 754 CD GLU A 54 21.743 10.786 -10.953 1.00 0.00 C ATOM 755 OE1 GLU A 54 22.006 11.861 -10.373 1.00 0.00 O ATOM 756 OE2 GLU A 54 22.210 9.684 -10.597 1.00 0.00 O ATOM 0 H GLU A 54 21.429 13.481 -14.335 1.00 0.00 H new ATOM 0 HA GLU A 54 23.088 12.061 -12.364 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.831 11.357 -14.219 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.973 10.098 -13.792 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.079 11.618 -12.008 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.257 9.886 -12.201 1.00 0.00 H new ATOM 763 N PRO A 55 24.492 10.665 -14.135 1.00 0.00 N ATOM 764 CA PRO A 55 25.581 10.231 -15.015 1.00 0.00 C ATOM 765 C PRO A 55 25.145 10.135 -16.473 1.00 0.00 C ATOM 766 O PRO A 55 24.260 9.349 -16.815 1.00 0.00 O ATOM 767 CB PRO A 55 25.947 8.848 -14.474 1.00 0.00 C ATOM 768 CG PRO A 55 25.525 8.873 -13.046 1.00 0.00 C ATOM 769 CD PRO A 55 24.312 9.761 -12.986 1.00 0.00 C ATOM 0 HA PRO A 55 26.412 10.937 -15.013 1.00 0.00 H new ATOM 0 HB2 PRO A 55 25.433 8.060 -15.024 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.016 8.657 -14.567 1.00 0.00 H new ATOM 0 HG2 PRO A 55 25.291 7.869 -12.691 1.00 0.00 H new ATOM 0 HG3 PRO A 55 26.322 9.258 -12.410 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.389 9.187 -13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.263 10.311 -12.046 1.00 0.00 H new ATOM 777 N CYS A 56 25.773 10.934 -17.329 1.00 0.00 N ATOM 778 CA CYS A 56 25.450 10.933 -18.750 1.00 0.00 C ATOM 779 C CYS A 56 25.712 9.561 -19.362 1.00 0.00 C ATOM 780 O CYS A 56 25.951 8.588 -18.648 1.00 0.00 O ATOM 781 CB CYS A 56 26.269 11.999 -19.482 1.00 0.00 C ATOM 782 SG CYS A 56 25.902 13.706 -18.962 1.00 0.00 S ATOM 0 H CYS A 56 26.508 11.590 -17.063 1.00 0.00 H new ATOM 0 HA CYS A 56 24.390 11.164 -18.859 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.329 11.802 -19.321 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.087 11.910 -20.553 1.00 0.00 H new ATOM 787 N VAL A 57 25.662 9.488 -20.688 1.00 0.00 N ATOM 788 CA VAL A 57 25.891 8.231 -21.389 1.00 0.00 C ATOM 789 C VAL A 57 26.355 8.474 -22.821 1.00 0.00 C ATOM 790 O VAL A 57 25.954 7.765 -23.744 1.00 0.00 O ATOM 791 CB VAL A 57 24.619 7.363 -21.410 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.609 7.917 -22.403 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.964 5.919 -21.737 1.00 0.00 C ATOM 0 H VAL A 57 25.465 10.282 -21.297 1.00 0.00 H new ATOM 0 HA VAL A 57 26.674 7.702 -20.845 1.00 0.00 H new ATOM 0 HB VAL A 57 24.168 7.389 -20.418 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.717 7.290 -22.403 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.338 8.933 -22.117 1.00 0.00 H new ATOM 0 HG13 VAL A 57 24.047 7.925 -23.401 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.053 5.321 -21.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.441 5.872 -22.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.646 5.528 -20.982 1.00 0.00 H new ATOM 803 N LEU A 58 27.206 9.478 -22.998 1.00 0.00 N ATOM 804 CA LEU A 58 27.729 9.813 -24.317 1.00 0.00 C ATOM 805 C LEU A 58 29.006 9.028 -24.606 1.00 0.00 C ATOM 806 O LEU A 58 29.675 8.554 -23.688 1.00 0.00 O ATOM 807 CB LEU A 58 28.000 11.318 -24.418 1.00 0.00 C ATOM 808 CG LEU A 58 28.765 11.927 -23.243 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.811 12.309 -22.122 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.828 10.961 -22.739 1.00 0.00 C ATOM 0 H LEU A 58 27.548 10.074 -22.245 1.00 0.00 H new ATOM 0 HA LEU A 58 26.980 9.541 -25.060 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.561 11.508 -25.333 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.046 11.836 -24.516 1.00 0.00 H new ATOM 0 HG LEU A 58 29.262 12.833 -23.590 1.00 0.00 H new ATOM 0 HD11 LEU A 58 28.375 12.741 -21.295 1.00 0.00 H new ATOM 0 HD12 LEU A 58 27.091 13.040 -22.490 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.282 11.421 -21.776 1.00 0.00 H new ATOM 0 HD21 LEU A 58 30.362 11.412 -21.903 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.353 10.037 -22.410 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.531 10.742 -23.543 1.00 0.00 H new ATOM 822 N PRO A 59 29.359 8.879 -25.893 1.00 0.00 N ATOM 823 CA PRO A 59 28.580 9.435 -27.003 1.00 0.00 C ATOM 824 C PRO A 59 27.259 8.703 -27.214 1.00 0.00 C ATOM 825 O PRO A 59 27.216 7.473 -27.250 1.00 0.00 O ATOM 826 CB PRO A 59 29.496 9.234 -28.211 1.00 0.00 C ATOM 827 CG PRO A 59 30.346 8.066 -27.848 1.00 0.00 C ATOM 828 CD PRO A 59 30.554 8.154 -26.362 1.00 0.00 C ATOM 0 HA PRO A 59 28.303 10.474 -26.824 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.921 9.040 -29.116 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.101 10.120 -28.402 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.859 7.129 -28.119 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.298 8.096 -28.378 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.629 7.166 -25.907 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.471 8.689 -26.115 1.00 0.00 H new ATOM 836 N PHE A 60 26.185 9.469 -27.364 1.00 0.00 N ATOM 837 CA PHE A 60 24.863 8.898 -27.583 1.00 0.00 C ATOM 838 C PHE A 60 24.344 9.280 -28.964 1.00 0.00 C ATOM 839 O PHE A 60 25.075 9.851 -29.773 1.00 0.00 O ATOM 840 CB PHE A 60 23.885 9.373 -26.506 1.00 0.00 C ATOM 841 CG PHE A 60 24.014 10.833 -26.175 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.640 11.800 -27.094 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.507 11.238 -24.944 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.755 13.144 -26.792 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.624 12.580 -24.637 1.00 0.00 C ATOM 846 CZ PHE A 60 24.248 13.534 -25.563 1.00 0.00 C ATOM 0 H PHE A 60 26.205 10.488 -27.338 1.00 0.00 H new ATOM 0 HA PHE A 60 24.945 7.813 -27.524 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.866 9.174 -26.839 1.00 0.00 H new ATOM 0 HB3 PHE A 60 24.044 8.789 -25.600 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.254 11.500 -28.057 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.803 10.496 -24.217 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.459 13.888 -27.517 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.009 12.883 -23.674 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.340 14.584 -25.326 1.00 0.00 H new ATOM 856 N THR A 61 23.084 8.964 -29.231 1.00 0.00 N ATOM 857 CA THR A 61 22.481 9.278 -30.519 1.00 0.00 C ATOM 858 C THR A 61 21.175 10.043 -30.345 1.00 0.00 C ATOM 859 O THR A 61 20.283 9.613 -29.615 1.00 0.00 O ATOM 860 CB THR A 61 22.211 8.005 -31.340 1.00 0.00 C ATOM 861 OG1 THR A 61 23.174 6.995 -31.008 1.00 0.00 O ATOM 862 CG2 THR A 61 22.275 8.302 -32.830 1.00 0.00 C ATOM 0 H THR A 61 22.461 8.492 -28.575 1.00 0.00 H new ATOM 0 HA THR A 61 23.195 9.902 -31.056 1.00 0.00 H new ATOM 0 HB THR A 61 21.210 7.646 -31.098 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.995 6.187 -31.533 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.081 7.388 -33.392 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.525 9.050 -33.084 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.265 8.681 -33.083 1.00 0.00 H new ATOM 870 N TYR A 62 21.069 11.178 -31.026 1.00 0.00 N ATOM 871 CA TYR A 62 19.871 12.004 -30.953 1.00 0.00 C ATOM 872 C TYR A 62 19.583 12.655 -32.300 1.00 0.00 C ATOM 873 O TYR A 62 20.470 13.245 -32.919 1.00 0.00 O ATOM 874 CB TYR A 62 20.025 13.080 -29.877 1.00 0.00 C ATOM 875 CG TYR A 62 18.926 14.118 -29.903 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.616 13.776 -29.588 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.195 15.436 -30.244 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.607 14.720 -29.614 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.192 16.386 -30.271 1.00 0.00 C ATOM 880 CZ TYR A 62 16.900 16.023 -29.955 1.00 0.00 C ATOM 881 OH TYR A 62 15.897 16.965 -29.982 1.00 0.00 O ATOM 0 H TYR A 62 21.799 11.547 -31.635 1.00 0.00 H new ATOM 0 HA TYR A 62 19.032 11.360 -30.689 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.041 12.603 -28.897 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.987 13.577 -30.006 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.383 12.756 -29.319 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.206 15.724 -30.493 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.594 14.438 -29.368 1.00 0.00 H new ATOM 0 HE2 TYR A 62 18.419 17.408 -30.538 1.00 0.00 H new ATOM 0 HH TYR A 62 15.208 16.729 -29.326 1.00 0.00 H new ATOM 891 N ASN A 63 18.339 12.547 -32.750 1.00 0.00 N ATOM 892 CA ASN A 63 17.935 13.125 -34.024 1.00 0.00 C ATOM 893 C ASN A 63 18.601 12.402 -35.190 1.00 0.00 C ATOM 894 O ASN A 63 18.489 12.826 -36.340 1.00 0.00 O ATOM 895 CB ASN A 63 18.287 14.613 -34.064 1.00 0.00 C ATOM 896 CG ASN A 63 17.079 15.482 -34.354 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.402 15.306 -35.366 1.00 0.00 O ATOM 898 ND2 ASN A 63 16.801 16.425 -33.461 1.00 0.00 N ATOM 0 H ASN A 63 17.592 12.064 -32.250 1.00 0.00 H new ATOM 0 HA ASN A 63 16.856 13.009 -34.120 1.00 0.00 H new ATOM 0 HB2 ASN A 63 18.722 14.907 -33.109 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.047 14.784 -34.827 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.998 17.039 -33.601 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.390 16.535 -32.636 1.00 0.00 H new ATOM 905 N GLY A 64 19.291 11.306 -34.888 1.00 0.00 N ATOM 906 CA GLY A 64 19.958 10.543 -35.925 1.00 0.00 C ATOM 907 C GLY A 64 21.466 10.714 -35.900 1.00 0.00 C ATOM 908 O GLY A 64 22.197 9.913 -36.481 1.00 0.00 O ATOM 0 H GLY A 64 19.399 10.934 -33.944 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.714 9.487 -35.807 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.578 10.851 -36.899 1.00 0.00 H new ATOM 912 N ARG A 65 21.933 11.760 -35.226 1.00 0.00 N ATOM 913 CA ARG A 65 23.363 12.027 -35.130 1.00 0.00 C ATOM 914 C ARG A 65 23.928 11.495 -33.818 1.00 0.00 C ATOM 915 O ARG A 65 23.282 10.704 -33.130 1.00 0.00 O ATOM 916 CB ARG A 65 23.634 13.528 -35.248 1.00 0.00 C ATOM 917 CG ARG A 65 23.014 14.349 -34.130 1.00 0.00 C ATOM 918 CD ARG A 65 22.072 15.408 -34.678 1.00 0.00 C ATOM 919 NE ARG A 65 22.627 16.752 -34.548 1.00 0.00 N ATOM 920 CZ ARG A 65 22.344 17.751 -35.379 1.00 0.00 C ATOM 921 NH1 ARG A 65 21.505 17.562 -36.389 1.00 0.00 N ATOM 922 NH2 ARG A 65 22.899 18.941 -35.199 1.00 0.00 N ATOM 0 H ARG A 65 21.343 12.435 -34.739 1.00 0.00 H new ATOM 0 HA ARG A 65 23.859 11.512 -35.953 1.00 0.00 H new ATOM 0 HB2 ARG A 65 24.711 13.695 -35.255 1.00 0.00 H new ATOM 0 HB3 ARG A 65 23.250 13.884 -36.204 1.00 0.00 H new ATOM 0 HG2 ARG A 65 22.470 13.691 -33.452 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.802 14.827 -33.547 1.00 0.00 H new ATOM 0 HD2 ARG A 65 21.865 15.201 -35.728 1.00 0.00 H new ATOM 0 HD3 ARG A 65 21.120 15.356 -34.149 1.00 0.00 H new ATOM 0 HE ARG A 65 23.268 16.935 -33.776 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.075 16.648 -36.530 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.290 18.331 -37.024 1.00 0.00 H new ATOM 0 HH21 ARG A 65 23.544 19.091 -34.423 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.682 19.707 -35.837 1.00 0.00 H new ATOM 936 N THR A 66 25.137 11.927 -33.477 1.00 0.00 N ATOM 937 CA THR A 66 25.785 11.486 -32.249 1.00 0.00 C ATOM 938 C THR A 66 26.489 12.642 -31.547 1.00 0.00 C ATOM 939 O THR A 66 26.958 13.581 -32.189 1.00 0.00 O ATOM 940 CB THR A 66 26.807 10.368 -32.526 1.00 0.00 C ATOM 941 OG1 THR A 66 26.255 9.416 -33.444 1.00 0.00 O ATOM 942 CG2 THR A 66 27.204 9.664 -31.235 1.00 0.00 C ATOM 0 H THR A 66 25.687 12.581 -34.033 1.00 0.00 H new ATOM 0 HA THR A 66 24.999 11.099 -31.600 1.00 0.00 H new ATOM 0 HB THR A 66 27.697 10.820 -32.963 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.911 8.709 -33.616 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.927 8.878 -31.456 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.650 10.385 -30.550 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.320 9.224 -30.774 1.00 0.00 H new ATOM 950 N PHE A 67 26.561 12.563 -30.222 1.00 0.00 N ATOM 951 CA PHE A 67 27.208 13.599 -29.427 1.00 0.00 C ATOM 952 C PHE A 67 28.066 12.978 -28.328 1.00 0.00 C ATOM 953 O PHE A 67 27.551 12.342 -27.409 1.00 0.00 O ATOM 954 CB PHE A 67 26.158 14.531 -28.821 1.00 0.00 C ATOM 955 CG PHE A 67 25.011 14.816 -29.749 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.137 13.807 -30.120 1.00 0.00 C ATOM 957 CD2 PHE A 67 24.808 16.092 -30.253 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.083 14.063 -30.977 1.00 0.00 C ATOM 959 CE2 PHE A 67 23.756 16.354 -31.110 1.00 0.00 C ATOM 960 CZ PHE A 67 22.892 15.338 -31.471 1.00 0.00 C ATOM 0 H PHE A 67 26.178 11.791 -29.676 1.00 0.00 H new ATOM 0 HA PHE A 67 27.858 14.181 -30.080 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.772 14.085 -27.904 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.634 15.471 -28.543 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.281 12.808 -29.735 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.480 16.890 -29.973 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.410 13.267 -31.260 1.00 0.00 H new ATOM 0 HE2 PHE A 67 23.609 17.352 -31.497 1.00 0.00 H new ATOM 0 HZ PHE A 67 22.068 15.541 -32.139 1.00 0.00 H new ATOM 970 N TYR A 68 29.379 13.165 -28.434 1.00 0.00 N ATOM 971 CA TYR A 68 30.315 12.620 -27.456 1.00 0.00 C ATOM 972 C TYR A 68 30.308 13.433 -26.166 1.00 0.00 C ATOM 973 O TYR A 68 31.078 13.157 -25.245 1.00 0.00 O ATOM 974 CB TYR A 68 31.727 12.587 -28.042 1.00 0.00 C ATOM 975 CG TYR A 68 31.960 11.442 -29.002 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.150 11.268 -30.117 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.988 10.534 -28.789 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.360 10.219 -30.993 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.204 9.484 -29.659 1.00 0.00 C ATOM 980 CZ TYR A 68 32.389 9.330 -30.760 1.00 0.00 C ATOM 981 OH TYR A 68 32.601 8.284 -31.628 1.00 0.00 O ATOM 0 H TYR A 68 29.819 13.691 -29.189 1.00 0.00 H new ATOM 0 HA TYR A 68 29.997 11.605 -27.218 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.918 13.527 -28.559 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.448 12.519 -27.227 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.344 11.963 -30.302 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.630 10.651 -27.928 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.722 10.096 -31.855 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.008 8.786 -29.478 1.00 0.00 H new ATOM 0 HH TYR A 68 32.318 8.544 -32.529 1.00 0.00 H new ATOM 991 N SER A 69 29.439 14.437 -26.101 1.00 0.00 N ATOM 992 CA SER A 69 29.342 15.284 -24.920 1.00 0.00 C ATOM 993 C SER A 69 27.981 15.967 -24.845 1.00 0.00 C ATOM 994 O SER A 69 27.034 15.562 -25.517 1.00 0.00 O ATOM 995 CB SER A 69 30.452 16.336 -24.930 1.00 0.00 C ATOM 996 OG SER A 69 30.518 17.022 -23.692 1.00 0.00 O ATOM 0 H SER A 69 28.793 14.683 -26.852 1.00 0.00 H new ATOM 0 HA SER A 69 29.457 14.650 -24.041 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.409 15.857 -25.135 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.274 17.049 -25.735 1.00 0.00 H new ATOM 0 HG SER A 69 31.237 17.688 -23.725 1.00 0.00 H new ATOM 1002 N CYS A 70 27.898 17.009 -24.025 1.00 0.00 N ATOM 1003 CA CYS A 70 26.659 17.756 -23.860 1.00 0.00 C ATOM 1004 C CYS A 70 26.293 18.475 -25.155 1.00 0.00 C ATOM 1005 O CYS A 70 27.141 18.664 -26.027 1.00 0.00 O ATOM 1006 CB CYS A 70 26.801 18.761 -22.716 1.00 0.00 C ATOM 1007 SG CYS A 70 27.863 18.186 -21.348 1.00 0.00 S ATOM 0 H CYS A 70 28.676 17.355 -23.464 1.00 0.00 H new ATOM 0 HA CYS A 70 25.859 17.057 -23.617 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.209 19.691 -23.112 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.811 18.989 -22.322 1.00 0.00 H new ATOM 1012 N THR A 71 25.029 18.866 -25.284 1.00 0.00 N ATOM 1013 CA THR A 71 24.574 19.554 -26.487 1.00 0.00 C ATOM 1014 C THR A 71 23.355 20.427 -26.212 1.00 0.00 C ATOM 1015 O THR A 71 22.855 20.485 -25.087 1.00 0.00 O ATOM 1016 CB THR A 71 24.228 18.555 -27.606 1.00 0.00 C ATOM 1017 OG1 THR A 71 23.995 19.254 -28.835 1.00 0.00 O ATOM 1018 CG2 THR A 71 22.996 17.740 -27.241 1.00 0.00 C ATOM 0 H THR A 71 24.308 18.720 -24.578 1.00 0.00 H new ATOM 0 HA THR A 71 25.399 20.189 -26.809 1.00 0.00 H new ATOM 0 HB THR A 71 25.072 17.876 -27.729 1.00 0.00 H new ATOM 0 HG1 THR A 71 24.137 18.645 -29.590 1.00 0.00 H new ATOM 0 HG21 THR A 71 22.770 17.041 -28.046 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.186 17.186 -26.322 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.148 18.409 -27.093 1.00 0.00 H new ATOM 1026 N THR A 72 22.884 21.109 -27.252 1.00 0.00 N ATOM 1027 CA THR A 72 21.726 21.985 -27.137 1.00 0.00 C ATOM 1028 C THR A 72 20.788 21.811 -28.326 1.00 0.00 C ATOM 1029 O THR A 72 19.888 22.622 -28.543 1.00 0.00 O ATOM 1030 CB THR A 72 22.150 23.462 -27.043 1.00 0.00 C ATOM 1031 OG1 THR A 72 22.791 23.866 -28.260 1.00 0.00 O ATOM 1032 CG2 THR A 72 23.094 23.677 -25.870 1.00 0.00 C ATOM 0 H THR A 72 23.290 21.070 -28.187 1.00 0.00 H new ATOM 0 HA THR A 72 21.204 21.705 -26.222 1.00 0.00 H new ATOM 0 HB THR A 72 21.257 24.067 -26.887 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.056 24.807 -28.193 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.381 24.727 -25.822 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.593 23.395 -24.944 1.00 0.00 H new ATOM 0 HG23 THR A 72 23.985 23.063 -26.003 1.00 0.00 H new ATOM 1040 N GLU A 73 21.006 20.748 -29.092 1.00 0.00 N ATOM 1041 CA GLU A 73 20.180 20.465 -30.259 1.00 0.00 C ATOM 1042 C GLU A 73 18.765 20.084 -29.840 1.00 0.00 C ATOM 1043 O GLU A 73 17.801 20.352 -30.556 1.00 0.00 O ATOM 1044 CB GLU A 73 20.800 19.337 -31.088 1.00 0.00 C ATOM 1045 CG GLU A 73 21.688 19.830 -32.219 1.00 0.00 C ATOM 1046 CD GLU A 73 20.911 20.576 -33.286 1.00 0.00 C ATOM 1047 OE1 GLU A 73 20.306 19.912 -34.153 1.00 0.00 O ATOM 1048 OE2 GLU A 73 20.908 21.825 -33.255 1.00 0.00 O ATOM 0 H GLU A 73 21.748 20.068 -28.926 1.00 0.00 H new ATOM 0 HA GLU A 73 20.131 21.368 -30.868 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.386 18.694 -30.431 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.002 18.723 -31.505 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.459 20.484 -31.812 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.198 18.980 -32.673 1.00 0.00 H new ATOM 1055 N GLY A 74 18.649 19.461 -28.672 1.00 0.00 N ATOM 1056 CA GLY A 74 17.349 19.056 -28.175 1.00 0.00 C ATOM 1057 C GLY A 74 16.971 19.780 -26.899 1.00 0.00 C ATOM 1058 O GLY A 74 16.777 19.158 -25.855 1.00 0.00 O ATOM 0 H GLY A 74 19.433 19.230 -28.061 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.594 19.250 -28.937 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.350 17.981 -27.994 1.00 0.00 H new ATOM 1122 N HIS A 79 20.093 25.545 -21.533 1.00 0.00 N ATOM 1123 CA HIS A 79 21.014 24.783 -20.695 1.00 0.00 C ATOM 1124 C HIS A 79 21.435 23.485 -21.375 1.00 0.00 C ATOM 1125 O HIS A 79 20.596 22.640 -21.691 1.00 0.00 O ATOM 1126 CB HIS A 79 20.365 24.472 -19.346 1.00 0.00 C ATOM 1127 CG HIS A 79 19.410 25.528 -18.884 1.00 0.00 C ATOM 1128 ND1 HIS A 79 19.540 26.859 -19.220 1.00 0.00 N ATOM 1129 CD2 HIS A 79 18.300 25.443 -18.113 1.00 0.00 C ATOM 1130 CE1 HIS A 79 18.551 27.545 -18.677 1.00 0.00 C ATOM 1131 NE2 HIS A 79 17.785 26.710 -18.001 1.00 0.00 N ATOM 0 HA HIS A 79 21.904 25.392 -20.538 1.00 0.00 H new ATOM 0 HB2 HIS A 79 19.836 23.521 -19.417 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.146 24.347 -18.596 1.00 0.00 H new ATOM 0 HD1 HIS A 79 20.283 27.252 -19.797 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.895 24.545 -17.669 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.395 28.610 -18.770 1.00 0.00 H new ATOM 1140 N LEU A 80 22.738 23.325 -21.591 1.00 0.00 N ATOM 1141 CA LEU A 80 23.261 22.122 -22.223 1.00 0.00 C ATOM 1142 C LEU A 80 22.661 20.887 -21.566 1.00 0.00 C ATOM 1143 O LEU A 80 22.364 20.896 -20.373 1.00 0.00 O ATOM 1144 CB LEU A 80 24.786 22.079 -22.115 1.00 0.00 C ATOM 1145 CG LEU A 80 25.544 22.762 -23.256 1.00 0.00 C ATOM 1146 CD1 LEU A 80 24.948 24.129 -23.549 1.00 0.00 C ATOM 1147 CD2 LEU A 80 27.020 22.885 -22.913 1.00 0.00 C ATOM 0 H LEU A 80 23.448 24.013 -21.338 1.00 0.00 H new ATOM 0 HA LEU A 80 22.986 22.137 -23.278 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.080 22.546 -21.175 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.101 21.037 -22.065 1.00 0.00 H new ATOM 0 HG LEU A 80 25.448 22.148 -24.151 1.00 0.00 H new ATOM 0 HD11 LEU A 80 25.500 24.600 -24.363 1.00 0.00 H new ATOM 0 HD12 LEU A 80 23.903 24.016 -23.837 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.014 24.753 -22.658 1.00 0.00 H new ATOM 0 HD21 LEU A 80 27.545 23.373 -23.734 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.135 23.478 -22.006 1.00 0.00 H new ATOM 0 HD23 LEU A 80 27.440 21.892 -22.752 1.00 0.00 H new ATOM 1159 N TRP A 81 22.474 19.830 -22.345 1.00 0.00 N ATOM 1160 CA TRP A 81 21.895 18.604 -21.815 1.00 0.00 C ATOM 1161 C TRP A 81 22.545 17.367 -22.424 1.00 0.00 C ATOM 1162 O TRP A 81 23.083 17.410 -23.531 1.00 0.00 O ATOM 1163 CB TRP A 81 20.389 18.580 -22.079 1.00 0.00 C ATOM 1164 CG TRP A 81 20.047 18.581 -23.537 1.00 0.00 C ATOM 1165 CD1 TRP A 81 19.812 19.673 -24.326 1.00 0.00 C ATOM 1166 CD2 TRP A 81 19.904 17.435 -24.381 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.532 19.271 -25.611 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.582 17.902 -25.670 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.018 16.057 -24.173 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.374 17.039 -26.743 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 19.810 15.203 -25.239 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.492 15.696 -26.510 1.00 0.00 C ATOM 0 H TRP A 81 22.712 19.796 -23.336 1.00 0.00 H new ATOM 0 HA TRP A 81 22.079 18.587 -20.741 1.00 0.00 H new ATOM 0 HB2 TRP A 81 19.959 17.694 -21.612 1.00 0.00 H new ATOM 0 HB3 TRP A 81 19.929 19.446 -21.604 1.00 0.00 H new ATOM 0 HD1 TRP A 81 19.842 20.699 -23.990 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.321 19.891 -26.393 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.264 15.667 -23.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.128 17.417 -27.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.894 14.137 -25.089 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.337 15.002 -27.323 1.00 0.00 H new ATOM 1183 N CYS A 82 22.478 16.262 -21.689 1.00 0.00 N ATOM 1184 CA CYS A 82 23.043 14.997 -22.140 1.00 0.00 C ATOM 1185 C CYS A 82 22.027 13.873 -21.963 1.00 0.00 C ATOM 1186 O CYS A 82 20.827 14.124 -21.855 1.00 0.00 O ATOM 1187 CB CYS A 82 24.322 14.675 -21.364 1.00 0.00 C ATOM 1188 SG CYS A 82 24.032 14.043 -19.679 1.00 0.00 S ATOM 0 H CYS A 82 22.034 16.218 -20.772 1.00 0.00 H new ATOM 0 HA CYS A 82 23.290 15.087 -23.198 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.897 13.937 -21.923 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.933 15.575 -21.302 1.00 0.00 H new ATOM 1193 N SER A 83 22.509 12.636 -21.932 1.00 0.00 N ATOM 1194 CA SER A 83 21.629 11.484 -21.766 1.00 0.00 C ATOM 1195 C SER A 83 22.169 10.534 -20.701 1.00 0.00 C ATOM 1196 O SER A 83 23.302 10.065 -20.789 1.00 0.00 O ATOM 1197 CB SER A 83 21.462 10.745 -23.095 1.00 0.00 C ATOM 1198 OG SER A 83 20.560 9.660 -22.966 1.00 0.00 O ATOM 0 H SER A 83 23.499 12.405 -22.019 1.00 0.00 H new ATOM 0 HA SER A 83 20.655 11.847 -21.439 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.098 11.436 -23.855 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.431 10.378 -23.435 1.00 0.00 H new ATOM 0 HG SER A 83 20.994 8.836 -23.269 1.00 0.00 H new ATOM 1204 N THR A 84 21.348 10.258 -19.693 1.00 0.00 N ATOM 1205 CA THR A 84 21.739 9.367 -18.608 1.00 0.00 C ATOM 1206 C THR A 84 21.647 7.904 -19.032 1.00 0.00 C ATOM 1207 O THR A 84 21.928 7.001 -18.244 1.00 0.00 O ATOM 1208 CB THR A 84 20.860 9.583 -17.361 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.756 8.669 -17.375 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.341 11.012 -17.305 1.00 0.00 C ATOM 0 H THR A 84 20.406 10.640 -19.605 1.00 0.00 H new ATOM 0 HA THR A 84 22.774 9.605 -18.363 1.00 0.00 H new ATOM 0 HB THR A 84 21.471 9.401 -16.477 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.203 8.811 -16.578 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.723 11.140 -16.416 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.183 11.703 -17.265 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.745 11.218 -18.194 1.00 0.00 H new ATOM 1218 N THR A 85 21.251 7.675 -20.280 1.00 0.00 N ATOM 1219 CA THR A 85 21.122 6.323 -20.807 1.00 0.00 C ATOM 1220 C THR A 85 21.289 6.318 -22.328 1.00 0.00 C ATOM 1221 O THR A 85 21.155 7.354 -22.980 1.00 0.00 O ATOM 1222 CB THR A 85 19.760 5.703 -20.398 1.00 0.00 C ATOM 1223 OG1 THR A 85 19.928 4.898 -19.224 1.00 0.00 O ATOM 1224 CG2 THR A 85 19.150 4.854 -21.510 1.00 0.00 C ATOM 0 H THR A 85 21.014 8.411 -20.946 1.00 0.00 H new ATOM 0 HA THR A 85 21.915 5.711 -20.377 1.00 0.00 H new ATOM 0 HB THR A 85 19.076 6.528 -20.199 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.577 5.324 -18.625 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.198 4.443 -21.173 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.986 5.473 -22.392 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.829 4.039 -21.760 1.00 0.00 H new ATOM 1232 N SER A 86 21.583 5.148 -22.884 1.00 0.00 N ATOM 1233 CA SER A 86 21.773 5.012 -24.324 1.00 0.00 C ATOM 1234 C SER A 86 20.546 5.496 -25.090 1.00 0.00 C ATOM 1235 O SER A 86 20.596 6.516 -25.778 1.00 0.00 O ATOM 1236 CB SER A 86 22.068 3.554 -24.683 1.00 0.00 C ATOM 1237 OG SER A 86 21.497 3.209 -25.932 1.00 0.00 O ATOM 0 H SER A 86 21.695 4.280 -22.360 1.00 0.00 H new ATOM 0 HA SER A 86 22.622 5.633 -24.610 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.146 3.396 -24.717 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.674 2.899 -23.906 1.00 0.00 H new ATOM 0 HG SER A 86 21.702 2.273 -26.138 1.00 0.00 H new ATOM 1243 N ASN A 87 19.450 4.756 -24.971 1.00 0.00 N ATOM 1244 CA ASN A 87 18.212 5.106 -25.658 1.00 0.00 C ATOM 1245 C ASN A 87 17.563 6.341 -25.041 1.00 0.00 C ATOM 1246 O ASN A 87 16.763 6.233 -24.112 1.00 0.00 O ATOM 1247 CB ASN A 87 17.237 3.931 -25.613 1.00 0.00 C ATOM 1248 CG ASN A 87 16.804 3.484 -26.996 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.766 4.281 -27.934 1.00 0.00 O ATOM 1250 ND2 ASN A 87 16.474 2.205 -27.129 1.00 0.00 N ATOM 0 H ASN A 87 19.393 3.909 -24.405 1.00 0.00 H new ATOM 0 HA ASN A 87 18.458 5.335 -26.695 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.705 3.094 -25.094 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.358 4.214 -25.034 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.174 1.847 -28.036 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.520 1.580 -26.324 1.00 0.00 H new ATOM 1257 N TYR A 88 17.908 7.513 -25.568 1.00 0.00 N ATOM 1258 CA TYR A 88 17.350 8.765 -25.071 1.00 0.00 C ATOM 1259 C TYR A 88 15.981 9.025 -25.686 1.00 0.00 C ATOM 1260 O TYR A 88 15.121 9.656 -25.071 1.00 0.00 O ATOM 1261 CB TYR A 88 18.288 9.931 -25.382 1.00 0.00 C ATOM 1262 CG TYR A 88 17.616 11.280 -25.277 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.075 11.714 -24.075 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.520 12.118 -26.382 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.455 12.945 -23.974 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.902 13.351 -26.289 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.371 13.759 -25.083 1.00 0.00 C ATOM 1268 OH TYR A 88 15.755 14.986 -24.986 1.00 0.00 O ATOM 0 H TYR A 88 18.570 7.621 -26.337 1.00 0.00 H new ATOM 0 HA TYR A 88 17.239 8.680 -23.990 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.135 9.900 -24.697 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.688 9.809 -26.389 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.140 11.079 -23.204 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.935 11.801 -27.328 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.039 13.267 -23.031 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.835 13.992 -27.156 1.00 0.00 H new ATOM 0 HH TYR A 88 15.728 15.265 -24.047 1.00 0.00 H new ATOM 1278 N GLU A 89 15.785 8.530 -26.903 1.00 0.00 N ATOM 1279 CA GLU A 89 14.519 8.705 -27.602 1.00 0.00 C ATOM 1280 C GLU A 89 13.508 7.649 -27.164 1.00 0.00 C ATOM 1281 O GLU A 89 12.444 7.509 -27.765 1.00 0.00 O ATOM 1282 CB GLU A 89 14.735 8.628 -29.114 1.00 0.00 C ATOM 1283 CG GLU A 89 15.313 9.901 -29.711 1.00 0.00 C ATOM 1284 CD GLU A 89 14.240 10.872 -30.163 1.00 0.00 C ATOM 1285 OE1 GLU A 89 13.050 10.613 -29.886 1.00 0.00 O ATOM 1286 OE2 GLU A 89 14.589 11.891 -30.796 1.00 0.00 O ATOM 0 H GLU A 89 16.487 8.005 -27.425 1.00 0.00 H new ATOM 0 HA GLU A 89 14.122 9.688 -27.349 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.404 7.796 -29.335 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.783 8.409 -29.598 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.950 10.387 -28.973 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.947 9.645 -30.560 1.00 0.00 H new ATOM 1293 N GLN A 90 13.849 6.908 -26.113 1.00 0.00 N ATOM 1294 CA GLN A 90 12.971 5.866 -25.596 1.00 0.00 C ATOM 1295 C GLN A 90 12.757 6.030 -24.096 1.00 0.00 C ATOM 1296 O GLN A 90 11.625 5.998 -23.611 1.00 0.00 O ATOM 1297 CB GLN A 90 13.558 4.485 -25.895 1.00 0.00 C ATOM 1298 CG GLN A 90 12.964 3.371 -25.049 1.00 0.00 C ATOM 1299 CD GLN A 90 11.582 2.955 -25.517 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.571 3.415 -24.987 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.534 2.082 -26.517 1.00 0.00 N ATOM 0 H GLN A 90 14.727 7.011 -25.604 1.00 0.00 H new ATOM 0 HA GLN A 90 12.005 5.957 -26.092 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.399 4.253 -26.948 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.636 4.516 -25.734 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.628 2.507 -25.075 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.908 3.699 -24.011 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.398 1.727 -26.926 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.633 1.767 -26.876 1.00 0.00 H new ATOM 1310 N ASP A 91 13.851 6.203 -23.366 1.00 0.00 N ATOM 1311 CA ASP A 91 13.791 6.370 -21.919 1.00 0.00 C ATOM 1312 C ASP A 91 13.381 7.791 -21.550 1.00 0.00 C ATOM 1313 O ASP A 91 12.779 8.022 -20.501 1.00 0.00 O ATOM 1314 CB ASP A 91 15.144 6.037 -21.288 1.00 0.00 C ATOM 1315 CG ASP A 91 15.354 4.546 -21.121 1.00 0.00 C ATOM 1316 OD1 ASP A 91 15.589 3.861 -22.139 1.00 0.00 O ATOM 1317 OD2 ASP A 91 15.283 4.062 -19.971 1.00 0.00 O ATOM 0 H ASP A 91 14.794 6.231 -23.753 1.00 0.00 H new ATOM 0 HA ASP A 91 13.039 5.683 -21.532 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.941 6.446 -21.909 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.217 6.522 -20.315 1.00 0.00 H new ATOM 1322 N GLN A 92 13.715 8.741 -22.416 1.00 0.00 N ATOM 1323 CA GLN A 92 13.383 10.140 -22.178 1.00 0.00 C ATOM 1324 C GLN A 92 13.935 10.606 -20.835 1.00 0.00 C ATOM 1325 O GLN A 92 13.213 11.179 -20.020 1.00 0.00 O ATOM 1326 CB GLN A 92 11.867 10.342 -22.218 1.00 0.00 C ATOM 1327 CG GLN A 92 11.343 10.755 -23.583 1.00 0.00 C ATOM 1328 CD GLN A 92 11.432 12.252 -23.812 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.692 13.028 -23.209 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.342 12.663 -24.688 1.00 0.00 N ATOM 0 H GLN A 92 14.215 8.568 -23.288 1.00 0.00 H new ATOM 0 HA GLN A 92 13.841 10.736 -22.967 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.378 9.416 -21.915 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.591 11.102 -21.487 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.910 10.238 -24.358 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.305 10.437 -23.681 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.934 11.983 -25.165 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.448 13.658 -24.884 1.00 0.00 H new ATOM 1339 N LYS A 93 15.223 10.364 -20.618 1.00 0.00 N ATOM 1340 CA LYS A 93 15.879 10.766 -19.378 1.00 0.00 C ATOM 1341 C LYS A 93 17.175 11.516 -19.675 1.00 0.00 C ATOM 1342 O LYS A 93 18.242 10.922 -19.808 1.00 0.00 O ATOM 1343 CB LYS A 93 16.129 9.551 -18.466 1.00 0.00 C ATOM 1344 CG LYS A 93 17.274 8.638 -18.889 1.00 0.00 C ATOM 1345 CD LYS A 93 17.101 8.132 -20.311 1.00 0.00 C ATOM 1346 CE LYS A 93 18.048 8.831 -21.273 1.00 0.00 C ATOM 1347 NZ LYS A 93 18.483 7.930 -22.374 1.00 0.00 N ATOM 0 H LYS A 93 15.834 9.892 -21.284 1.00 0.00 H new ATOM 0 HA LYS A 93 15.214 11.444 -18.843 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.328 9.911 -17.457 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.214 8.960 -18.419 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.217 9.178 -18.808 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.333 7.790 -18.207 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.280 7.057 -20.340 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.072 8.292 -20.632 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.556 9.708 -21.694 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.922 9.187 -20.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.942 8.490 -23.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.156 7.229 -22.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.655 7.439 -22.769 1.00 0.00 H new ATOM 1361 N TYR A 94 17.069 12.833 -19.793 1.00 0.00 N ATOM 1362 CA TYR A 94 18.230 13.664 -20.090 1.00 0.00 C ATOM 1363 C TYR A 94 18.626 14.519 -18.892 1.00 0.00 C ATOM 1364 O TYR A 94 17.841 14.715 -17.964 1.00 0.00 O ATOM 1365 CB TYR A 94 17.946 14.560 -21.298 1.00 0.00 C ATOM 1366 CG TYR A 94 17.072 15.756 -20.982 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.554 16.815 -20.220 1.00 0.00 C ATOM 1368 CD2 TYR A 94 15.766 15.827 -21.449 1.00 0.00 C ATOM 1369 CE1 TYR A 94 16.757 17.910 -19.934 1.00 0.00 C ATOM 1370 CE2 TYR A 94 14.964 16.917 -21.168 1.00 0.00 C ATOM 1371 CZ TYR A 94 15.465 17.955 -20.410 1.00 0.00 C ATOM 1372 OH TYR A 94 14.669 19.042 -20.127 1.00 0.00 O ATOM 0 H TYR A 94 16.195 13.348 -19.688 1.00 0.00 H new ATOM 0 HA TYR A 94 19.062 12.999 -20.321 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.893 14.912 -21.708 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.464 13.965 -22.074 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.566 16.782 -19.845 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.370 15.016 -22.042 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.146 18.725 -19.341 1.00 0.00 H new ATOM 0 HE2 TYR A 94 13.951 16.956 -21.540 1.00 0.00 H new ATOM 0 HH TYR A 94 13.788 18.918 -20.537 1.00 0.00 H new ATOM 1382 N SER A 95 19.853 15.027 -18.927 1.00 0.00 N ATOM 1383 CA SER A 95 20.371 15.869 -17.855 1.00 0.00 C ATOM 1384 C SER A 95 20.873 17.194 -18.420 1.00 0.00 C ATOM 1385 O SER A 95 20.731 17.456 -19.614 1.00 0.00 O ATOM 1386 CB SER A 95 21.500 15.145 -17.117 1.00 0.00 C ATOM 1387 OG SER A 95 22.403 16.063 -16.527 1.00 0.00 O ATOM 0 H SER A 95 20.511 14.869 -19.691 1.00 0.00 H new ATOM 0 HA SER A 95 19.566 16.075 -17.149 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.078 14.500 -16.346 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.037 14.500 -17.813 1.00 0.00 H new ATOM 0 HG SER A 95 22.971 16.456 -17.222 1.00 0.00 H new ATOM 1393 N PHE A 96 21.458 18.027 -17.566 1.00 0.00 N ATOM 1394 CA PHE A 96 21.972 19.318 -18.005 1.00 0.00 C ATOM 1395 C PHE A 96 23.496 19.321 -18.031 1.00 0.00 C ATOM 1396 O PHE A 96 24.134 18.312 -17.734 1.00 0.00 O ATOM 1397 CB PHE A 96 21.456 20.436 -17.098 1.00 0.00 C ATOM 1398 CG PHE A 96 20.082 20.915 -17.472 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.717 21.035 -18.805 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.155 21.239 -16.496 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.454 21.467 -19.154 1.00 0.00 C ATOM 1402 CE2 PHE A 96 17.889 21.674 -16.841 1.00 0.00 C ATOM 1403 CZ PHE A 96 17.539 21.787 -18.173 1.00 0.00 C ATOM 0 H PHE A 96 21.587 17.833 -16.573 1.00 0.00 H new ATOM 0 HA PHE A 96 21.614 19.495 -19.019 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.442 20.082 -16.067 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.150 21.276 -17.137 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.429 20.788 -19.578 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.424 21.151 -15.454 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.182 21.555 -20.195 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.175 21.925 -16.071 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.550 22.125 -18.445 1.00 0.00 H new ATOM 1413 N CYS A 97 24.072 20.460 -18.400 1.00 0.00 N ATOM 1414 CA CYS A 97 25.522 20.590 -18.475 1.00 0.00 C ATOM 1415 C CYS A 97 25.951 22.047 -18.329 1.00 0.00 C ATOM 1416 O CYS A 97 25.830 22.837 -19.263 1.00 0.00 O ATOM 1417 CB CYS A 97 26.030 20.035 -19.805 1.00 0.00 C ATOM 1418 SG CYS A 97 26.677 18.336 -19.708 1.00 0.00 S ATOM 0 H CYS A 97 23.558 21.305 -18.651 1.00 0.00 H new ATOM 0 HA CYS A 97 25.955 20.019 -17.653 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.217 20.061 -20.531 1.00 0.00 H new ATOM 0 HB3 CYS A 97 26.815 20.690 -20.183 1.00 0.00 H new ATOM 1423 N THR A 98 26.458 22.396 -17.152 1.00 0.00 N ATOM 1424 CA THR A 98 26.909 23.759 -16.892 1.00 0.00 C ATOM 1425 C THR A 98 28.405 23.900 -17.144 1.00 0.00 C ATOM 1426 O THR A 98 29.082 24.707 -16.508 1.00 0.00 O ATOM 1427 CB THR A 98 26.599 24.187 -15.447 1.00 0.00 C ATOM 1428 OG1 THR A 98 27.352 25.357 -15.106 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.923 23.065 -14.473 1.00 0.00 C ATOM 0 H THR A 98 26.567 21.757 -16.365 1.00 0.00 H new ATOM 0 HA THR A 98 26.366 24.408 -17.578 1.00 0.00 H new ATOM 0 HB THR A 98 25.535 24.413 -15.378 1.00 0.00 H new ATOM 0 HG1 THR A 98 28.309 25.150 -15.134 1.00 0.00 H new ATOM 0 HG21 THR A 98 26.697 23.388 -13.457 1.00 0.00 H new ATOM 0 HG22 THR A 98 26.324 22.188 -14.716 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.981 22.814 -14.546 1.00 0.00 H new