USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=32 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 :FLIP amide:sc= -0.734 F(o=-2.3,f=-0.73) USER MOD Set 2.1: A 51 SER OG : rot 73:sc= -2.32! USER MOD Set 2.2: A 84 THR OG1 : rot 170:sc= -0.0986 USER MOD Set 2.3: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 3 HIS :FLIP no HE2:sc= 0.158 F(o=-1.1,f=0.16) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.445 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -120:sc= 0.634 USER MOD Single : A 16 MET CE :methyl 171:sc= -0.112 (180deg=-0.208) USER MOD Single : A 17 GLN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0577) USER MOD Single : A 26 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.027) USER MOD Single : A 27 MET CE :methyl 165:sc= -0.564 (180deg=-1.04) USER MOD Single : A 30 THR OG1 : rot -7:sc= -1.07! USER MOD Single : A 34 ASN : amide:sc= -2.55! C(o=-2.6!,f=-8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.15 F(o=-3.1!,f=-1.2) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot -45:sc= 0.518 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.323 X(o=0.32,f=-0.018) USER MOD Single : A 52 ASN : amide:sc= -0.766 X(o=-0.77,f=-0.76) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.937 USER MOD Single : A 63 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.73) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 100:sc= -0.272 USER MOD Single : A 69 SER OG : rot 51:sc= 0.0873 USER MOD Single : A 71 THR OG1 : rot 140:sc= 0.0424 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HE2:sc= -1.16! F(o=-2,f=-1.2!) USER MOD Single : A 83 SER OG : rot 146:sc= -1.87 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 87 ASN : amide:sc= -0.341 K(o=-0.34,f=-3!) USER MOD Single : A 90 GLN : amide:sc= -0.343 K(o=-0.34,f=-3.7!) USER MOD Single : A 93 LYS NZ :NH3+ -138:sc= -0.461 (180deg=-2.49!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 79:sc= -0.0726 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 42.838 5.528 -42.538 1.00 0.00 N ATOM 32 CA HIS A 3 42.681 4.511 -41.503 1.00 0.00 C ATOM 33 C HIS A 3 43.426 4.901 -40.231 1.00 0.00 C ATOM 34 O HIS A 3 44.633 5.140 -40.256 1.00 0.00 O ATOM 35 CB HIS A 3 43.189 3.158 -42.009 1.00 0.00 C ATOM 36 CG HIS A 3 42.095 2.183 -42.315 1.00 0.00 C ATOM 37 ND1 HIS A 3 41.041 1.769 -41.570 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 42.005 1.504 -43.512 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 40.344 0.858 -42.325 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 40.945 0.717 -43.492 1.00 0.00 N flip ATOM 0 HA HIS A 3 41.620 4.432 -41.268 1.00 0.00 H new ATOM 0 HB2 HIS A 3 43.785 3.316 -42.908 1.00 0.00 H new ATOM 0 HB3 HIS A 3 43.851 2.725 -41.260 1.00 0.00 H new ATOM 0 HD1 HIS A 3 40.809 2.077 -40.626 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.695 1.601 -44.338 1.00 0.00 H new ATOM 0 HE1 HIS A 3 39.449 0.340 -42.014 1.00 0.00 H new ATOM 49 N CYS A 4 42.700 4.964 -39.119 1.00 0.00 N ATOM 50 CA CYS A 4 43.299 5.324 -37.837 1.00 0.00 C ATOM 51 C CYS A 4 43.423 4.102 -36.933 1.00 0.00 C ATOM 52 O CYS A 4 42.625 3.170 -37.020 1.00 0.00 O ATOM 53 CB CYS A 4 42.476 6.415 -37.141 1.00 0.00 C ATOM 54 SG CYS A 4 40.745 6.543 -37.716 1.00 0.00 S ATOM 0 H CYS A 4 41.699 4.771 -39.079 1.00 0.00 H new ATOM 0 HA CYS A 4 44.299 5.713 -38.032 1.00 0.00 H new ATOM 0 HB2 CYS A 4 42.476 6.223 -36.068 1.00 0.00 H new ATOM 0 HB3 CYS A 4 42.968 7.376 -37.293 1.00 0.00 H new ATOM 59 N VAL A 5 44.433 4.111 -36.070 1.00 0.00 N ATOM 60 CA VAL A 5 44.666 3.000 -35.153 1.00 0.00 C ATOM 61 C VAL A 5 45.203 3.501 -33.816 1.00 0.00 C ATOM 62 O VAL A 5 46.216 4.200 -33.764 1.00 0.00 O ATOM 63 CB VAL A 5 45.661 1.980 -35.740 1.00 0.00 C ATOM 64 CG1 VAL A 5 45.252 0.563 -35.373 1.00 0.00 C ATOM 65 CG2 VAL A 5 45.766 2.137 -37.250 1.00 0.00 C ATOM 0 H VAL A 5 45.104 4.875 -35.986 1.00 0.00 H new ATOM 0 HA VAL A 5 43.705 2.509 -35.001 1.00 0.00 H new ATOM 0 HB VAL A 5 46.644 2.174 -35.310 1.00 0.00 H new ATOM 0 HG11 VAL A 5 45.966 -0.143 -35.796 1.00 0.00 H new ATOM 0 HG12 VAL A 5 45.237 0.458 -34.288 1.00 0.00 H new ATOM 0 HG13 VAL A 5 44.259 0.356 -35.771 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.474 1.407 -37.643 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.788 1.974 -37.702 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.112 3.143 -37.488 1.00 0.00 H new ATOM 75 N THR A 6 44.520 3.140 -32.734 1.00 0.00 N ATOM 76 CA THR A 6 44.929 3.554 -31.396 1.00 0.00 C ATOM 77 C THR A 6 46.276 2.950 -31.020 1.00 0.00 C ATOM 78 O THR A 6 47.174 3.650 -30.553 1.00 0.00 O ATOM 79 CB THR A 6 43.887 3.149 -30.339 1.00 0.00 C ATOM 80 OG1 THR A 6 44.104 1.794 -29.927 1.00 0.00 O ATOM 81 CG2 THR A 6 42.477 3.299 -30.888 1.00 0.00 C ATOM 0 H THR A 6 43.680 2.561 -32.758 1.00 0.00 H new ATOM 0 HA THR A 6 45.013 4.641 -31.415 1.00 0.00 H new ATOM 0 HB THR A 6 43.998 3.809 -29.479 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.437 1.546 -29.253 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.756 3.007 -30.124 1.00 0.00 H new ATOM 0 HG22 THR A 6 42.305 4.337 -31.171 1.00 0.00 H new ATOM 0 HG23 THR A 6 42.357 2.660 -31.763 1.00 0.00 H new ATOM 89 N ASP A 7 46.409 1.644 -31.225 1.00 0.00 N ATOM 90 CA ASP A 7 47.647 0.944 -30.904 1.00 0.00 C ATOM 91 C ASP A 7 47.779 -0.332 -31.723 1.00 0.00 C ATOM 92 O ASP A 7 48.743 -0.510 -32.469 1.00 0.00 O ATOM 93 CB ASP A 7 47.700 0.615 -29.412 1.00 0.00 C ATOM 94 CG ASP A 7 48.695 1.482 -28.665 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.816 1.678 -29.180 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.354 1.963 -27.564 1.00 0.00 O ATOM 0 H ASP A 7 45.676 1.050 -31.611 1.00 0.00 H new ATOM 0 HA ASP A 7 48.480 1.601 -31.153 1.00 0.00 H new ATOM 0 HB2 ASP A 7 46.709 0.747 -28.978 1.00 0.00 H new ATOM 0 HB3 ASP A 7 47.967 -0.434 -29.283 1.00 0.00 H new ATOM 101 N SER A 8 46.803 -1.218 -31.579 1.00 0.00 N ATOM 102 CA SER A 8 46.804 -2.485 -32.305 1.00 0.00 C ATOM 103 C SER A 8 45.583 -3.323 -31.940 1.00 0.00 C ATOM 104 O SER A 8 45.649 -4.552 -31.907 1.00 0.00 O ATOM 105 CB SER A 8 48.083 -3.267 -32.003 1.00 0.00 C ATOM 106 OG SER A 8 48.087 -3.742 -30.668 1.00 0.00 O ATOM 0 H SER A 8 45.999 -1.084 -30.966 1.00 0.00 H new ATOM 0 HA SER A 8 46.764 -2.264 -33.372 1.00 0.00 H new ATOM 0 HB2 SER A 8 48.170 -4.107 -32.692 1.00 0.00 H new ATOM 0 HB3 SER A 8 48.951 -2.628 -32.168 1.00 0.00 H new ATOM 0 HG SER A 8 48.914 -4.240 -30.500 1.00 0.00 H new ATOM 112 N GLY A 9 44.469 -2.651 -31.668 1.00 0.00 N ATOM 113 CA GLY A 9 43.249 -3.350 -31.310 1.00 0.00 C ATOM 114 C GLY A 9 42.045 -2.843 -32.077 1.00 0.00 C ATOM 115 O GLY A 9 41.228 -3.629 -32.557 1.00 0.00 O ATOM 0 H GLY A 9 44.390 -1.634 -31.689 1.00 0.00 H new ATOM 0 HA2 GLY A 9 43.375 -4.416 -31.501 1.00 0.00 H new ATOM 0 HA3 GLY A 9 43.069 -3.237 -30.241 1.00 0.00 H new ATOM 119 N VAL A 10 41.937 -1.524 -32.190 1.00 0.00 N ATOM 120 CA VAL A 10 40.826 -0.906 -32.903 1.00 0.00 C ATOM 121 C VAL A 10 41.324 -0.071 -34.077 1.00 0.00 C ATOM 122 O VAL A 10 41.938 0.979 -33.889 1.00 0.00 O ATOM 123 CB VAL A 10 39.987 -0.011 -31.972 1.00 0.00 C ATOM 124 CG1 VAL A 10 38.762 0.520 -32.701 1.00 0.00 C ATOM 125 CG2 VAL A 10 39.582 -0.776 -30.720 1.00 0.00 C ATOM 0 H VAL A 10 42.606 -0.862 -31.797 1.00 0.00 H new ATOM 0 HA VAL A 10 40.200 -1.717 -33.275 1.00 0.00 H new ATOM 0 HB VAL A 10 40.597 0.840 -31.669 1.00 0.00 H new ATOM 0 HG11 VAL A 10 38.182 1.150 -32.027 1.00 0.00 H new ATOM 0 HG12 VAL A 10 39.078 1.106 -33.564 1.00 0.00 H new ATOM 0 HG13 VAL A 10 38.147 -0.316 -33.036 1.00 0.00 H new ATOM 0 HG21 VAL A 10 38.990 -0.128 -30.074 1.00 0.00 H new ATOM 0 HG22 VAL A 10 38.990 -1.647 -31.001 1.00 0.00 H new ATOM 0 HG23 VAL A 10 40.476 -1.101 -30.187 1.00 0.00 H new ATOM 135 N VAL A 11 41.055 -0.544 -35.290 1.00 0.00 N ATOM 136 CA VAL A 11 41.475 0.156 -36.497 1.00 0.00 C ATOM 137 C VAL A 11 40.392 1.111 -36.986 1.00 0.00 C ATOM 138 O VAL A 11 39.554 0.747 -37.811 1.00 0.00 O ATOM 139 CB VAL A 11 41.818 -0.831 -37.627 1.00 0.00 C ATOM 140 CG1 VAL A 11 42.253 -0.080 -38.877 1.00 0.00 C ATOM 141 CG2 VAL A 11 42.898 -1.803 -37.177 1.00 0.00 C ATOM 0 H VAL A 11 40.547 -1.411 -35.462 1.00 0.00 H new ATOM 0 HA VAL A 11 42.367 0.726 -36.236 1.00 0.00 H new ATOM 0 HB VAL A 11 40.923 -1.405 -37.868 1.00 0.00 H new ATOM 0 HG11 VAL A 11 42.492 -0.794 -39.666 1.00 0.00 H new ATOM 0 HG12 VAL A 11 41.445 0.572 -39.210 1.00 0.00 H new ATOM 0 HG13 VAL A 11 43.134 0.521 -38.652 1.00 0.00 H new ATOM 0 HG21 VAL A 11 43.128 -2.493 -37.989 1.00 0.00 H new ATOM 0 HG22 VAL A 11 43.797 -1.249 -36.907 1.00 0.00 H new ATOM 0 HG23 VAL A 11 42.545 -2.365 -36.312 1.00 0.00 H new ATOM 151 N TYR A 12 40.419 2.336 -36.473 1.00 0.00 N ATOM 152 CA TYR A 12 39.444 3.347 -36.859 1.00 0.00 C ATOM 153 C TYR A 12 39.687 3.819 -38.289 1.00 0.00 C ATOM 154 O TYR A 12 40.656 3.415 -38.931 1.00 0.00 O ATOM 155 CB TYR A 12 39.510 4.538 -35.901 1.00 0.00 C ATOM 156 CG TYR A 12 39.047 4.212 -34.502 1.00 0.00 C ATOM 157 CD1 TYR A 12 37.700 4.020 -34.222 1.00 0.00 C ATOM 158 CD2 TYR A 12 39.956 4.097 -33.461 1.00 0.00 C ATOM 159 CE1 TYR A 12 37.272 3.721 -32.943 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.536 3.798 -32.178 1.00 0.00 C ATOM 161 CZ TYR A 12 38.195 3.610 -31.926 1.00 0.00 C ATOM 162 OH TYR A 12 37.774 3.311 -30.650 1.00 0.00 O ATOM 0 H TYR A 12 41.106 2.652 -35.789 1.00 0.00 H new ATOM 0 HA TYR A 12 38.452 2.899 -36.806 1.00 0.00 H new ATOM 0 HB2 TYR A 12 40.536 4.904 -35.860 1.00 0.00 H new ATOM 0 HB3 TYR A 12 38.898 5.348 -36.298 1.00 0.00 H new ATOM 0 HD1 TYR A 12 36.975 4.106 -35.018 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.008 4.243 -33.655 1.00 0.00 H new ATOM 0 HE1 TYR A 12 36.221 3.575 -32.742 1.00 0.00 H new ATOM 0 HE2 TYR A 12 40.256 3.712 -31.377 1.00 0.00 H new ATOM 0 HH TYR A 12 38.028 4.037 -30.043 1.00 0.00 H new ATOM 172 N SER A 13 38.802 4.681 -38.777 1.00 0.00 N ATOM 173 CA SER A 13 38.918 5.213 -40.128 1.00 0.00 C ATOM 174 C SER A 13 38.966 6.737 -40.109 1.00 0.00 C ATOM 175 O SER A 13 38.485 7.373 -39.170 1.00 0.00 O ATOM 176 CB SER A 13 37.747 4.739 -40.990 1.00 0.00 C ATOM 177 OG SER A 13 38.097 3.590 -41.740 1.00 0.00 O ATOM 0 H SER A 13 37.996 5.026 -38.256 1.00 0.00 H new ATOM 0 HA SER A 13 39.848 4.842 -40.558 1.00 0.00 H new ATOM 0 HB2 SER A 13 36.891 4.515 -40.354 1.00 0.00 H new ATOM 0 HB3 SER A 13 37.442 5.538 -41.665 1.00 0.00 H new ATOM 0 HG SER A 13 37.331 3.307 -42.281 1.00 0.00 H new ATOM 183 N VAL A 14 39.550 7.315 -41.151 1.00 0.00 N ATOM 184 CA VAL A 14 39.666 8.764 -41.260 1.00 0.00 C ATOM 185 C VAL A 14 38.343 9.451 -40.941 1.00 0.00 C ATOM 186 O VAL A 14 37.545 9.730 -41.836 1.00 0.00 O ATOM 187 CB VAL A 14 40.118 9.181 -42.672 1.00 0.00 C ATOM 188 CG1 VAL A 14 39.347 8.408 -43.730 1.00 0.00 C ATOM 189 CG2 VAL A 14 39.954 10.682 -42.871 1.00 0.00 C ATOM 0 H VAL A 14 39.952 6.801 -41.935 1.00 0.00 H new ATOM 0 HA VAL A 14 40.416 9.077 -40.534 1.00 0.00 H new ATOM 0 HB VAL A 14 41.176 8.941 -42.777 1.00 0.00 H new ATOM 0 HG11 VAL A 14 39.680 8.716 -44.721 1.00 0.00 H new ATOM 0 HG12 VAL A 14 39.526 7.340 -43.603 1.00 0.00 H new ATOM 0 HG13 VAL A 14 38.281 8.612 -43.626 1.00 0.00 H new ATOM 0 HG21 VAL A 14 40.279 10.954 -43.875 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.906 10.954 -42.743 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.559 11.215 -42.137 1.00 0.00 H new ATOM 199 N GLY A 15 38.120 9.731 -39.662 1.00 0.00 N ATOM 200 CA GLY A 15 36.896 10.393 -39.254 1.00 0.00 C ATOM 201 C GLY A 15 35.904 9.451 -38.606 1.00 0.00 C ATOM 202 O GLY A 15 34.707 9.508 -38.890 1.00 0.00 O ATOM 0 H GLY A 15 38.764 9.512 -38.902 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.138 11.194 -38.556 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.433 10.858 -40.124 1.00 0.00 H new ATOM 206 N MET A 16 36.399 8.586 -37.732 1.00 0.00 N ATOM 207 CA MET A 16 35.540 7.633 -37.039 1.00 0.00 C ATOM 208 C MET A 16 35.206 8.132 -35.640 1.00 0.00 C ATOM 209 O MET A 16 34.124 7.869 -35.117 1.00 0.00 O ATOM 210 CB MET A 16 36.217 6.265 -36.956 1.00 0.00 C ATOM 211 CG MET A 16 35.505 5.188 -37.759 1.00 0.00 C ATOM 212 SD MET A 16 34.357 4.221 -36.758 1.00 0.00 S ATOM 213 CE MET A 16 35.189 2.636 -36.727 1.00 0.00 C ATOM 0 H MET A 16 37.387 8.523 -37.486 1.00 0.00 H new ATOM 0 HA MET A 16 34.614 7.535 -37.606 1.00 0.00 H new ATOM 0 HB2 MET A 16 37.243 6.354 -37.312 1.00 0.00 H new ATOM 0 HB3 MET A 16 36.267 5.956 -35.912 1.00 0.00 H new ATOM 0 HG2 MET A 16 34.961 5.653 -38.581 1.00 0.00 H new ATOM 0 HG3 MET A 16 36.245 4.522 -38.202 1.00 0.00 H new ATOM 0 HE1 MET A 16 34.689 1.976 -36.018 1.00 0.00 H new ATOM 0 HE2 MET A 16 35.159 2.190 -37.721 1.00 0.00 H new ATOM 0 HE3 MET A 16 36.226 2.776 -36.423 1.00 0.00 H new ATOM 223 N GLN A 17 36.146 8.855 -35.038 1.00 0.00 N ATOM 224 CA GLN A 17 35.955 9.392 -33.698 1.00 0.00 C ATOM 225 C GLN A 17 35.657 8.274 -32.707 1.00 0.00 C ATOM 226 O GLN A 17 35.011 7.284 -33.049 1.00 0.00 O ATOM 227 CB GLN A 17 34.816 10.413 -33.690 1.00 0.00 C ATOM 228 CG GLN A 17 35.272 11.837 -33.964 1.00 0.00 C ATOM 229 CD GLN A 17 34.205 12.865 -33.642 1.00 0.00 C ATOM 230 OE1 GLN A 17 33.852 13.694 -34.480 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.686 12.815 -32.420 1.00 0.00 N ATOM 0 H GLN A 17 37.047 9.082 -35.459 1.00 0.00 H new ATOM 0 HA GLN A 17 36.877 9.888 -33.396 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.078 10.127 -34.439 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.317 10.380 -32.721 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.164 12.048 -33.374 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.554 11.928 -35.013 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.009 12.110 -31.757 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.965 13.481 -32.145 1.00 0.00 H new ATOM 240 N TRP A 18 36.129 8.439 -31.479 1.00 0.00 N ATOM 241 CA TRP A 18 35.906 7.440 -30.444 1.00 0.00 C ATOM 242 C TRP A 18 36.260 7.992 -29.068 1.00 0.00 C ATOM 243 O TRP A 18 36.643 9.154 -28.931 1.00 0.00 O ATOM 244 CB TRP A 18 36.720 6.179 -30.736 1.00 0.00 C ATOM 245 CG TRP A 18 38.188 6.336 -30.485 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.823 6.277 -29.277 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.209 6.571 -31.465 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.173 6.456 -29.445 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.436 6.639 -30.778 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.208 6.728 -32.857 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.645 6.858 -31.434 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.408 6.944 -33.504 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.612 7.006 -32.793 1.00 0.00 C ATOM 0 H TRP A 18 36.666 9.251 -31.176 1.00 0.00 H new ATOM 0 HA TRP A 18 34.847 7.182 -30.445 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.341 5.363 -30.121 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.567 5.892 -31.776 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.334 6.113 -28.328 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.868 6.453 -28.699 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.284 6.681 -33.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.576 6.909 -30.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.418 7.067 -34.577 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.534 7.174 -33.329 1.00 0.00 H new ATOM 264 N LEU A 19 36.126 7.149 -28.050 1.00 0.00 N ATOM 265 CA LEU A 19 36.427 7.548 -26.683 1.00 0.00 C ATOM 266 C LEU A 19 37.594 6.740 -26.134 1.00 0.00 C ATOM 267 O LEU A 19 37.472 5.541 -25.890 1.00 0.00 O ATOM 268 CB LEU A 19 35.198 7.368 -25.792 1.00 0.00 C ATOM 269 CG LEU A 19 33.984 8.212 -26.182 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.411 9.626 -26.544 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.237 7.567 -27.340 1.00 0.00 C ATOM 0 H LEU A 19 35.810 6.184 -28.147 1.00 0.00 H new ATOM 0 HA LEU A 19 36.706 8.602 -26.688 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.910 6.317 -25.806 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.474 7.610 -24.766 1.00 0.00 H new ATOM 0 HG LEU A 19 33.312 8.265 -25.325 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.534 10.212 -26.819 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.902 10.088 -25.688 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.103 9.593 -27.385 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.376 8.181 -27.605 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.901 7.484 -28.200 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.898 6.574 -27.046 1.00 0.00 H new ATOM 283 N LYS A 20 38.727 7.404 -25.951 1.00 0.00 N ATOM 284 CA LYS A 20 39.921 6.745 -25.440 1.00 0.00 C ATOM 285 C LYS A 20 39.925 6.716 -23.914 1.00 0.00 C ATOM 286 O LYS A 20 39.401 7.621 -23.263 1.00 0.00 O ATOM 287 CB LYS A 20 41.173 7.452 -25.956 1.00 0.00 C ATOM 288 CG LYS A 20 42.464 6.795 -25.509 1.00 0.00 C ATOM 289 CD LYS A 20 42.919 5.731 -26.493 1.00 0.00 C ATOM 290 CE LYS A 20 42.804 4.338 -25.896 1.00 0.00 C ATOM 291 NZ LYS A 20 43.844 3.417 -26.433 1.00 0.00 N ATOM 0 H LYS A 20 38.844 8.398 -26.149 1.00 0.00 H new ATOM 0 HA LYS A 20 39.918 5.715 -25.797 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.145 7.476 -27.045 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.164 8.487 -25.614 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.241 7.552 -25.405 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.323 6.346 -24.526 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.317 5.791 -27.400 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.952 5.920 -26.783 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.897 4.399 -24.812 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.815 3.932 -26.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.426 2.479 -26.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.213 3.794 -27.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.621 3.333 -25.747 1.00 0.00 H new ATOM 379 N GLN A 26 39.333 9.529 -18.568 1.00 0.00 N ATOM 380 CA GLN A 26 38.743 9.519 -19.901 1.00 0.00 C ATOM 381 C GLN A 26 39.574 10.349 -20.874 1.00 0.00 C ATOM 382 O GLN A 26 40.446 11.115 -20.464 1.00 0.00 O ATOM 383 CB GLN A 26 37.309 10.050 -19.853 1.00 0.00 C ATOM 384 CG GLN A 26 36.255 8.955 -19.891 1.00 0.00 C ATOM 385 CD GLN A 26 35.047 9.279 -19.035 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.917 9.314 -19.524 1.00 0.00 O ATOM 387 NE2 GLN A 26 35.277 9.517 -17.749 1.00 0.00 N ATOM 0 HA GLN A 26 38.729 8.488 -20.254 1.00 0.00 H new ATOM 0 HB2 GLN A 26 37.178 10.638 -18.945 1.00 0.00 H new ATOM 0 HB3 GLN A 26 37.151 10.724 -20.695 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.935 8.800 -20.921 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.697 8.019 -19.550 1.00 0.00 H new ATOM 0 HE21 GLN A 26 36.229 9.477 -17.385 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.501 9.739 -17.125 1.00 0.00 H new ATOM 396 N MET A 27 39.297 10.187 -22.162 1.00 0.00 N ATOM 397 CA MET A 27 40.017 10.918 -23.199 1.00 0.00 C ATOM 398 C MET A 27 39.310 10.779 -24.544 1.00 0.00 C ATOM 399 O MET A 27 39.191 9.679 -25.083 1.00 0.00 O ATOM 400 CB MET A 27 41.454 10.404 -23.309 1.00 0.00 C ATOM 401 CG MET A 27 42.476 11.504 -23.542 1.00 0.00 C ATOM 402 SD MET A 27 43.656 11.093 -24.842 1.00 0.00 S ATOM 403 CE MET A 27 44.440 9.642 -24.146 1.00 0.00 C ATOM 0 H MET A 27 38.578 9.555 -22.514 1.00 0.00 H new ATOM 0 HA MET A 27 40.037 11.972 -22.923 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.711 9.868 -22.395 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.513 9.686 -24.127 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.958 12.426 -23.806 1.00 0.00 H new ATOM 0 HG3 MET A 27 43.016 11.696 -22.614 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.994 9.119 -24.925 1.00 0.00 H new ATOM 0 HE2 MET A 27 45.125 9.943 -23.354 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.679 8.979 -23.735 1.00 0.00 H new ATOM 413 N LEU A 28 38.845 11.901 -25.081 1.00 0.00 N ATOM 414 CA LEU A 28 38.154 11.905 -26.363 1.00 0.00 C ATOM 415 C LEU A 28 39.158 11.867 -27.505 1.00 0.00 C ATOM 416 O LEU A 28 39.899 12.822 -27.715 1.00 0.00 O ATOM 417 CB LEU A 28 37.277 13.150 -26.483 1.00 0.00 C ATOM 418 CG LEU A 28 36.291 13.136 -27.651 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.874 12.929 -27.145 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.388 14.427 -28.448 1.00 0.00 C ATOM 0 H LEU A 28 38.935 12.820 -24.647 1.00 0.00 H new ATOM 0 HA LEU A 28 37.523 11.018 -26.420 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.717 13.272 -25.556 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.923 14.023 -26.583 1.00 0.00 H new ATOM 0 HG LEU A 28 36.549 12.306 -28.309 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.184 12.921 -27.989 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.812 11.978 -26.617 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.608 13.739 -26.466 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.679 14.398 -29.275 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.156 15.273 -27.800 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.399 14.537 -28.841 1.00 0.00 H new ATOM 432 N CYS A 29 39.186 10.756 -28.233 1.00 0.00 N ATOM 433 CA CYS A 29 40.116 10.599 -29.346 1.00 0.00 C ATOM 434 C CYS A 29 39.422 10.799 -30.689 1.00 0.00 C ATOM 435 O CYS A 29 38.220 10.570 -30.822 1.00 0.00 O ATOM 436 CB CYS A 29 40.767 9.217 -29.300 1.00 0.00 C ATOM 437 SG CYS A 29 42.362 9.159 -28.417 1.00 0.00 S ATOM 0 H CYS A 29 38.578 9.953 -28.073 1.00 0.00 H new ATOM 0 HA CYS A 29 40.884 11.366 -29.245 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.077 8.520 -28.824 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.919 8.867 -30.321 1.00 0.00 H new ATOM 442 N THR A 30 40.197 11.220 -31.682 1.00 0.00 N ATOM 443 CA THR A 30 39.675 11.450 -33.027 1.00 0.00 C ATOM 444 C THR A 30 40.799 11.440 -34.055 1.00 0.00 C ATOM 445 O THR A 30 41.831 12.080 -33.861 1.00 0.00 O ATOM 446 CB THR A 30 38.934 12.795 -33.127 1.00 0.00 C ATOM 447 OG1 THR A 30 37.787 12.792 -32.271 1.00 0.00 O ATOM 448 CG2 THR A 30 38.501 13.064 -34.562 1.00 0.00 C ATOM 0 H THR A 30 41.194 11.410 -31.581 1.00 0.00 H new ATOM 0 HA THR A 30 38.975 10.640 -33.233 1.00 0.00 H new ATOM 0 HB THR A 30 39.616 13.585 -32.812 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.665 11.897 -31.891 1.00 0.00 H new ATOM 0 HG21 THR A 30 37.979 14.020 -34.611 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.379 13.096 -35.207 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.835 12.269 -34.896 1.00 0.00 H new ATOM 456 N CYS A 31 40.594 10.721 -35.154 1.00 0.00 N ATOM 457 CA CYS A 31 41.600 10.653 -36.202 1.00 0.00 C ATOM 458 C CYS A 31 41.271 11.624 -37.329 1.00 0.00 C ATOM 459 O CYS A 31 40.377 11.378 -38.140 1.00 0.00 O ATOM 460 CB CYS A 31 41.733 9.228 -36.742 1.00 0.00 C ATOM 461 SG CYS A 31 40.165 8.417 -37.179 1.00 0.00 S ATOM 0 H CYS A 31 39.748 10.183 -35.339 1.00 0.00 H new ATOM 0 HA CYS A 31 42.557 10.942 -35.768 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.371 9.249 -37.625 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.243 8.619 -35.995 1.00 0.00 H new ATOM 466 N LEU A 32 41.998 12.735 -37.362 1.00 0.00 N ATOM 467 CA LEU A 32 41.791 13.764 -38.375 1.00 0.00 C ATOM 468 C LEU A 32 42.457 13.384 -39.696 1.00 0.00 C ATOM 469 O LEU A 32 41.882 12.651 -40.501 1.00 0.00 O ATOM 470 CB LEU A 32 42.332 15.108 -37.879 1.00 0.00 C ATOM 471 CG LEU A 32 43.550 15.015 -36.958 1.00 0.00 C ATOM 472 CD1 LEU A 32 44.568 16.088 -37.306 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.126 15.130 -35.501 1.00 0.00 C ATOM 0 H LEU A 32 42.740 12.947 -36.695 1.00 0.00 H new ATOM 0 HA LEU A 32 40.719 13.852 -38.552 1.00 0.00 H new ATOM 0 HB2 LEU A 32 42.595 15.718 -38.743 1.00 0.00 H new ATOM 0 HB3 LEU A 32 41.535 15.631 -37.350 1.00 0.00 H new ATOM 0 HG LEU A 32 44.018 14.041 -37.104 1.00 0.00 H new ATOM 0 HD11 LEU A 32 45.427 16.005 -36.640 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.895 15.958 -38.338 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.113 17.072 -37.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.005 15.062 -34.860 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.633 16.089 -35.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 42.436 14.322 -35.258 1.00 0.00 H new ATOM 485 N GLY A 33 43.671 13.886 -39.920 1.00 0.00 N ATOM 486 CA GLY A 33 44.380 13.585 -41.149 1.00 0.00 C ATOM 487 C GLY A 33 45.845 13.273 -40.919 1.00 0.00 C ATOM 488 O GLY A 33 46.387 12.337 -41.506 1.00 0.00 O ATOM 0 H GLY A 33 44.173 14.494 -39.273 1.00 0.00 H new ATOM 0 HA2 GLY A 33 43.905 12.735 -41.639 1.00 0.00 H new ATOM 0 HA3 GLY A 33 44.296 14.433 -41.829 1.00 0.00 H new ATOM 492 N ASN A 34 46.486 14.056 -40.060 1.00 0.00 N ATOM 493 CA ASN A 34 47.896 13.856 -39.753 1.00 0.00 C ATOM 494 C ASN A 34 48.087 12.572 -38.956 1.00 0.00 C ATOM 495 O ASN A 34 49.086 11.869 -39.115 1.00 0.00 O ATOM 496 CB ASN A 34 48.448 15.052 -38.970 1.00 0.00 C ATOM 497 CG ASN A 34 48.194 14.943 -37.478 1.00 0.00 C ATOM 498 OD1 ASN A 34 47.144 14.465 -37.048 1.00 0.00 O ATOM 499 ND2 ASN A 34 49.158 15.388 -36.681 1.00 0.00 N ATOM 0 H ASN A 34 46.052 14.835 -39.564 1.00 0.00 H new ATOM 0 HA ASN A 34 48.445 13.771 -40.691 1.00 0.00 H new ATOM 0 HB2 ASN A 34 49.521 15.133 -39.147 1.00 0.00 H new ATOM 0 HB3 ASN A 34 47.993 15.968 -39.346 1.00 0.00 H new ATOM 0 HD21 ASN A 34 49.045 15.341 -35.668 1.00 0.00 H new ATOM 0 HD22 ASN A 34 50.012 15.776 -37.081 1.00 0.00 H new ATOM 506 N GLY A 35 47.119 12.274 -38.098 1.00 0.00 N ATOM 507 CA GLY A 35 47.188 11.074 -37.288 1.00 0.00 C ATOM 508 C GLY A 35 45.957 10.892 -36.424 1.00 0.00 C ATOM 509 O GLY A 35 44.860 10.664 -36.935 1.00 0.00 O ATOM 0 H GLY A 35 46.286 12.844 -37.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 47.305 10.206 -37.937 1.00 0.00 H new ATOM 0 HA3 GLY A 35 48.072 11.118 -36.652 1.00 0.00 H new ATOM 513 N VAL A 36 46.138 10.996 -35.113 1.00 0.00 N ATOM 514 CA VAL A 36 45.033 10.845 -34.176 1.00 0.00 C ATOM 515 C VAL A 36 45.182 11.810 -33.002 1.00 0.00 C ATOM 516 O VAL A 36 46.135 11.725 -32.227 1.00 0.00 O ATOM 517 CB VAL A 36 44.924 9.387 -33.657 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.295 9.330 -32.270 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.125 8.541 -34.632 1.00 0.00 C ATOM 0 H VAL A 36 47.040 11.184 -34.675 1.00 0.00 H new ATOM 0 HA VAL A 36 44.115 11.083 -34.713 1.00 0.00 H new ATOM 0 HB VAL A 36 45.934 8.986 -33.579 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.235 8.293 -31.940 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.906 9.899 -31.570 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.293 9.757 -32.307 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.056 7.520 -34.256 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.123 8.957 -34.739 1.00 0.00 H new ATOM 0 HG23 VAL A 36 44.621 8.538 -35.602 1.00 0.00 H new ATOM 529 N SER A 37 44.225 12.723 -32.877 1.00 0.00 N ATOM 530 CA SER A 37 44.233 13.705 -31.798 1.00 0.00 C ATOM 531 C SER A 37 43.117 13.405 -30.804 1.00 0.00 C ATOM 532 O SER A 37 42.070 12.877 -31.178 1.00 0.00 O ATOM 533 CB SER A 37 44.067 15.117 -32.362 1.00 0.00 C ATOM 534 OG SER A 37 43.820 16.054 -31.328 1.00 0.00 O ATOM 0 H SER A 37 43.431 12.804 -33.512 1.00 0.00 H new ATOM 0 HA SER A 37 45.191 13.645 -31.282 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.966 15.402 -32.908 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.243 15.132 -33.075 1.00 0.00 H new ATOM 0 HG SER A 37 43.719 16.949 -31.715 1.00 0.00 H new ATOM 540 N CYS A 38 43.346 13.732 -29.537 1.00 0.00 N ATOM 541 CA CYS A 38 42.349 13.478 -28.505 1.00 0.00 C ATOM 542 C CYS A 38 42.343 14.575 -27.444 1.00 0.00 C ATOM 543 O CYS A 38 43.276 15.373 -27.352 1.00 0.00 O ATOM 544 CB CYS A 38 42.608 12.122 -27.850 1.00 0.00 C ATOM 545 SG CYS A 38 43.302 10.869 -28.977 1.00 0.00 S ATOM 0 H CYS A 38 44.205 14.169 -29.202 1.00 0.00 H new ATOM 0 HA CYS A 38 41.370 13.471 -28.984 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.292 12.260 -27.013 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.672 11.745 -27.438 1.00 0.00 H new ATOM 550 N GLN A 39 41.281 14.598 -26.643 1.00 0.00 N ATOM 551 CA GLN A 39 41.139 15.585 -25.578 1.00 0.00 C ATOM 552 C GLN A 39 41.350 14.934 -24.213 1.00 0.00 C ATOM 553 O GLN A 39 40.477 14.228 -23.708 1.00 0.00 O ATOM 554 CB GLN A 39 39.755 16.236 -25.641 1.00 0.00 C ATOM 555 CG GLN A 39 39.662 17.374 -26.646 1.00 0.00 C ATOM 556 CD GLN A 39 39.071 16.934 -27.972 1.00 0.00 C ATOM 557 OE1 GLN A 39 37.745 16.903 -28.048 1.00 0.00 O flip ATOM 558 NE2 GLN A 39 39.797 16.629 -28.918 1.00 0.00 N flip ATOM 0 H GLN A 39 40.504 13.941 -26.712 1.00 0.00 H new ATOM 0 HA GLN A 39 41.898 16.354 -25.717 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.017 15.476 -25.896 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.495 16.614 -24.652 1.00 0.00 H new ATOM 0 HG2 GLN A 39 39.051 18.174 -26.228 1.00 0.00 H new ATOM 0 HG3 GLN A 39 40.656 17.787 -26.815 1.00 0.00 H new ATOM 0 HE21 GLN A 39 40.811 16.667 -28.816 1.00 0.00 H new ATOM 0 HE22 GLN A 39 39.384 16.338 -29.804 1.00 0.00 H new ATOM 636 N GLN A 45 30.430 20.019 -16.971 1.00 0.00 N ATOM 637 CA GLN A 45 29.966 20.573 -15.704 1.00 0.00 C ATOM 638 C GLN A 45 28.442 20.552 -15.620 1.00 0.00 C ATOM 639 O GLN A 45 27.869 19.981 -14.692 1.00 0.00 O ATOM 640 CB GLN A 45 30.479 22.004 -15.535 1.00 0.00 C ATOM 641 CG GLN A 45 31.982 22.137 -15.715 1.00 0.00 C ATOM 642 CD GLN A 45 32.733 22.088 -14.398 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.888 23.105 -13.721 1.00 0.00 O ATOM 644 NE2 GLN A 45 33.206 20.904 -14.030 1.00 0.00 N ATOM 0 HA GLN A 45 30.361 19.953 -14.899 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.977 22.649 -16.256 1.00 0.00 H new ATOM 0 HB3 GLN A 45 30.207 22.364 -14.543 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.339 21.336 -16.363 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.202 23.078 -16.220 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.054 20.088 -14.622 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.722 20.810 -13.155 1.00 0.00 H new ATOM 653 N THR A 46 27.790 21.179 -16.594 1.00 0.00 N ATOM 654 CA THR A 46 26.333 21.231 -16.628 1.00 0.00 C ATOM 655 C THR A 46 25.777 21.893 -15.372 1.00 0.00 C ATOM 656 O THR A 46 26.437 21.930 -14.335 1.00 0.00 O ATOM 657 CB THR A 46 25.720 19.825 -16.766 1.00 0.00 C ATOM 658 OG1 THR A 46 25.577 19.222 -15.474 1.00 0.00 O ATOM 659 CG2 THR A 46 26.585 18.940 -17.650 1.00 0.00 C ATOM 0 H THR A 46 28.247 21.658 -17.370 1.00 0.00 H new ATOM 0 HA THR A 46 26.061 21.824 -17.501 1.00 0.00 H new ATOM 0 HB THR A 46 24.739 19.927 -17.230 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.399 19.357 -14.957 1.00 0.00 H new ATOM 0 HG21 THR A 46 26.131 17.953 -17.732 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.667 19.385 -18.642 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.578 18.847 -17.211 1.00 0.00 H new ATOM 667 N TYR A 47 24.558 22.415 -15.474 1.00 0.00 N ATOM 668 CA TYR A 47 23.913 23.077 -14.346 1.00 0.00 C ATOM 669 C TYR A 47 22.431 23.312 -14.624 1.00 0.00 C ATOM 670 O TYR A 47 22.070 23.976 -15.595 1.00 0.00 O ATOM 671 CB TYR A 47 24.603 24.411 -14.053 1.00 0.00 C ATOM 672 CG TYR A 47 24.389 25.450 -15.130 1.00 0.00 C ATOM 673 CD1 TYR A 47 25.259 25.552 -16.208 1.00 0.00 C ATOM 674 CD2 TYR A 47 23.314 26.329 -15.068 1.00 0.00 C ATOM 675 CE1 TYR A 47 25.065 26.500 -17.194 1.00 0.00 C ATOM 676 CE2 TYR A 47 23.112 27.279 -16.051 1.00 0.00 C ATOM 677 CZ TYR A 47 23.990 27.361 -17.112 1.00 0.00 C ATOM 678 OH TYR A 47 23.794 28.306 -18.093 1.00 0.00 O ATOM 0 H TYR A 47 23.998 22.392 -16.326 1.00 0.00 H new ATOM 0 HA TYR A 47 24.002 22.426 -13.476 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.234 24.801 -13.104 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.673 24.239 -13.933 1.00 0.00 H new ATOM 0 HD1 TYR A 47 26.101 24.879 -16.276 1.00 0.00 H new ATOM 0 HD2 TYR A 47 22.625 26.269 -14.238 1.00 0.00 H new ATOM 0 HE1 TYR A 47 25.752 26.567 -18.025 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.271 27.954 -15.989 1.00 0.00 H new ATOM 0 HH TYR A 47 22.993 28.831 -17.886 1.00 0.00 H new ATOM 688 N GLY A 48 21.578 22.765 -13.763 1.00 0.00 N ATOM 689 CA GLY A 48 20.147 22.930 -13.932 1.00 0.00 C ATOM 690 C GLY A 48 19.651 22.405 -15.265 1.00 0.00 C ATOM 691 O GLY A 48 19.507 21.196 -15.447 1.00 0.00 O ATOM 0 H GLY A 48 21.853 22.211 -12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 48 19.628 22.411 -13.126 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.895 23.987 -13.846 1.00 0.00 H new ATOM 695 N GLY A 49 19.388 23.314 -16.197 1.00 0.00 N ATOM 696 CA GLY A 49 18.906 22.917 -17.506 1.00 0.00 C ATOM 697 C GLY A 49 17.562 22.221 -17.438 1.00 0.00 C ATOM 698 O GLY A 49 16.547 22.845 -17.129 1.00 0.00 O ATOM 0 H GLY A 49 19.500 24.320 -16.069 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.825 23.798 -18.143 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.633 22.253 -17.972 1.00 0.00 H new ATOM 702 N ASN A 50 17.554 20.923 -17.723 1.00 0.00 N ATOM 703 CA ASN A 50 16.325 20.141 -17.690 1.00 0.00 C ATOM 704 C ASN A 50 16.470 18.936 -16.764 1.00 0.00 C ATOM 705 O ASN A 50 15.508 18.203 -16.531 1.00 0.00 O ATOM 706 CB ASN A 50 15.951 19.676 -19.098 1.00 0.00 C ATOM 707 CG ASN A 50 14.514 20.007 -19.454 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.153 21.175 -19.599 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.687 18.978 -19.596 1.00 0.00 N ATOM 0 H ASN A 50 18.386 20.391 -17.979 1.00 0.00 H new ATOM 0 HA ASN A 50 15.530 20.779 -17.304 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.619 20.144 -19.821 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.103 18.599 -19.174 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.709 19.139 -19.835 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.030 18.026 -19.466 1.00 0.00 H new ATOM 716 N SER A 51 17.676 18.737 -16.240 1.00 0.00 N ATOM 717 CA SER A 51 17.942 17.620 -15.340 1.00 0.00 C ATOM 718 C SER A 51 18.788 18.065 -14.152 1.00 0.00 C ATOM 719 O SER A 51 19.721 17.373 -13.747 1.00 0.00 O ATOM 720 CB SER A 51 18.650 16.490 -16.091 1.00 0.00 C ATOM 721 OG SER A 51 18.120 16.335 -17.397 1.00 0.00 O ATOM 0 H SER A 51 18.483 19.334 -16.423 1.00 0.00 H new ATOM 0 HA SER A 51 16.986 17.255 -14.964 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.717 16.702 -16.151 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.541 15.557 -15.538 1.00 0.00 H new ATOM 0 HG SER A 51 18.411 17.083 -17.959 1.00 0.00 H new ATOM 727 N ASN A 52 18.454 19.224 -13.595 1.00 0.00 N ATOM 728 CA ASN A 52 19.179 19.761 -12.448 1.00 0.00 C ATOM 729 C ASN A 52 20.687 19.615 -12.634 1.00 0.00 C ATOM 730 O ASN A 52 21.410 19.305 -11.687 1.00 0.00 O ATOM 731 CB ASN A 52 18.739 19.053 -11.166 1.00 0.00 C ATOM 732 CG ASN A 52 19.433 19.603 -9.935 1.00 0.00 C ATOM 733 OD1 ASN A 52 19.410 20.808 -9.682 1.00 0.00 O ATOM 734 ND2 ASN A 52 20.054 18.720 -9.162 1.00 0.00 N ATOM 0 H ASN A 52 17.685 19.811 -13.919 1.00 0.00 H new ATOM 0 HA ASN A 52 18.946 20.823 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.660 19.157 -11.049 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.949 17.987 -11.252 1.00 0.00 H new ATOM 0 HD21 ASN A 52 20.538 19.031 -8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.047 17.731 -9.411 1.00 0.00 H new ATOM 741 N GLY A 53 21.154 19.845 -13.856 1.00 0.00 N ATOM 742 CA GLY A 53 22.574 19.739 -14.141 1.00 0.00 C ATOM 743 C GLY A 53 23.123 18.349 -13.883 1.00 0.00 C ATOM 744 O GLY A 53 24.292 18.193 -13.530 1.00 0.00 O ATOM 0 H GLY A 53 20.575 20.103 -14.655 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.752 20.007 -15.182 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.118 20.459 -13.529 1.00 0.00 H new ATOM 748 N GLU A 54 22.282 17.336 -14.064 1.00 0.00 N ATOM 749 CA GLU A 54 22.696 15.954 -13.850 1.00 0.00 C ATOM 750 C GLU A 54 23.733 15.536 -14.890 1.00 0.00 C ATOM 751 O GLU A 54 23.903 16.200 -15.912 1.00 0.00 O ATOM 752 CB GLU A 54 21.485 15.020 -13.916 1.00 0.00 C ATOM 753 CG GLU A 54 20.728 14.890 -12.602 1.00 0.00 C ATOM 754 CD GLU A 54 21.630 14.980 -11.386 1.00 0.00 C ATOM 755 OE1 GLU A 54 22.695 14.327 -11.385 1.00 0.00 O ATOM 756 OE2 GLU A 54 21.272 15.704 -10.433 1.00 0.00 O ATOM 0 H GLU A 54 21.311 17.446 -14.358 1.00 0.00 H new ATOM 0 HA GLU A 54 23.146 15.882 -12.860 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.801 15.383 -14.683 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.819 14.031 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.972 15.674 -12.546 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.200 13.936 -12.586 1.00 0.00 H new ATOM 763 N PRO A 55 24.438 14.423 -14.640 1.00 0.00 N ATOM 764 CA PRO A 55 25.462 13.912 -15.558 1.00 0.00 C ATOM 765 C PRO A 55 24.887 13.569 -16.927 1.00 0.00 C ATOM 766 O PRO A 55 23.716 13.206 -17.046 1.00 0.00 O ATOM 767 CB PRO A 55 25.980 12.647 -14.861 1.00 0.00 C ATOM 768 CG PRO A 55 24.918 12.280 -13.883 1.00 0.00 C ATOM 769 CD PRO A 55 24.294 13.573 -13.448 1.00 0.00 C ATOM 0 HA PRO A 55 26.240 14.651 -15.750 1.00 0.00 H new ATOM 0 HB2 PRO A 55 26.150 11.844 -15.578 1.00 0.00 H new ATOM 0 HB3 PRO A 55 26.930 12.834 -14.360 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.177 11.623 -14.339 1.00 0.00 H new ATOM 0 HG3 PRO A 55 25.339 11.744 -13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.249 13.443 -13.168 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.805 13.998 -12.584 1.00 0.00 H new ATOM 777 N CYS A 56 25.715 13.690 -17.959 1.00 0.00 N ATOM 778 CA CYS A 56 25.285 13.395 -19.320 1.00 0.00 C ATOM 779 C CYS A 56 25.250 11.892 -19.572 1.00 0.00 C ATOM 780 O CYS A 56 25.307 11.093 -18.638 1.00 0.00 O ATOM 781 CB CYS A 56 26.207 14.078 -20.329 1.00 0.00 C ATOM 782 SG CYS A 56 26.505 15.843 -19.987 1.00 0.00 S ATOM 0 H CYS A 56 26.687 13.990 -17.879 1.00 0.00 H new ATOM 0 HA CYS A 56 24.274 13.784 -19.445 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.163 13.555 -20.343 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.775 13.980 -21.325 1.00 0.00 H new ATOM 787 N VAL A 57 25.143 11.515 -20.842 1.00 0.00 N ATOM 788 CA VAL A 57 25.085 10.111 -21.222 1.00 0.00 C ATOM 789 C VAL A 57 25.452 9.926 -22.688 1.00 0.00 C ATOM 790 O VAL A 57 24.693 9.337 -23.457 1.00 0.00 O ATOM 791 CB VAL A 57 23.679 9.527 -20.988 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.672 10.170 -21.929 1.00 0.00 C ATOM 793 CG2 VAL A 57 23.693 8.017 -21.164 1.00 0.00 C ATOM 0 H VAL A 57 25.095 12.165 -21.626 1.00 0.00 H new ATOM 0 HA VAL A 57 25.804 9.583 -20.596 1.00 0.00 H new ATOM 0 HB VAL A 57 23.379 9.748 -19.964 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.684 9.746 -21.750 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.643 11.245 -21.751 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.966 9.981 -22.961 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.691 7.622 -20.995 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.014 7.772 -22.176 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.384 7.574 -20.447 1.00 0.00 H new ATOM 803 N LEU A 58 26.619 10.429 -23.072 1.00 0.00 N ATOM 804 CA LEU A 58 27.073 10.308 -24.453 1.00 0.00 C ATOM 805 C LEU A 58 28.047 9.146 -24.613 1.00 0.00 C ATOM 806 O LEU A 58 28.543 8.596 -23.631 1.00 0.00 O ATOM 807 CB LEU A 58 27.731 11.604 -24.942 1.00 0.00 C ATOM 808 CG LEU A 58 28.181 12.578 -23.853 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.989 13.092 -23.064 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.198 11.919 -22.932 1.00 0.00 C ATOM 0 H LEU A 58 27.264 10.921 -22.453 1.00 0.00 H new ATOM 0 HA LEU A 58 26.191 10.115 -25.063 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.598 11.342 -25.548 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.029 12.120 -25.596 1.00 0.00 H new ATOM 0 HG LEU A 58 28.660 13.431 -24.333 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.333 13.783 -22.295 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.303 13.608 -23.736 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.474 12.254 -22.595 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.506 12.628 -22.164 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.749 11.045 -22.460 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.068 11.611 -23.512 1.00 0.00 H new ATOM 822 N PRO A 59 28.328 8.760 -25.866 1.00 0.00 N ATOM 823 CA PRO A 59 27.745 9.405 -27.045 1.00 0.00 C ATOM 824 C PRO A 59 26.249 9.152 -27.168 1.00 0.00 C ATOM 825 O PRO A 59 25.784 8.022 -27.012 1.00 0.00 O ATOM 826 CB PRO A 59 28.474 8.756 -28.226 1.00 0.00 C ATOM 827 CG PRO A 59 29.641 8.036 -27.633 1.00 0.00 C ATOM 828 CD PRO A 59 29.237 7.670 -26.235 1.00 0.00 C ATOM 0 HA PRO A 59 27.860 10.488 -26.996 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.819 8.067 -28.760 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.801 9.507 -28.945 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.886 7.147 -28.213 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.529 8.669 -27.629 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.742 6.700 -26.198 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.096 7.615 -25.566 1.00 0.00 H new ATOM 836 N PHE A 60 25.503 10.207 -27.462 1.00 0.00 N ATOM 837 CA PHE A 60 24.059 10.101 -27.626 1.00 0.00 C ATOM 838 C PHE A 60 23.678 10.404 -29.069 1.00 0.00 C ATOM 839 O PHE A 60 24.544 10.676 -29.899 1.00 0.00 O ATOM 840 CB PHE A 60 23.336 11.062 -26.681 1.00 0.00 C ATOM 841 CG PHE A 60 23.887 12.456 -26.715 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.465 13.360 -27.675 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.829 12.862 -25.785 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.974 14.643 -27.708 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.342 14.144 -25.812 1.00 0.00 C ATOM 846 CZ PHE A 60 24.913 15.035 -26.775 1.00 0.00 C ATOM 0 H PHE A 60 25.874 11.148 -27.592 1.00 0.00 H new ATOM 0 HA PHE A 60 23.756 9.083 -27.380 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.278 11.091 -26.943 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.402 10.678 -25.663 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.730 13.058 -28.406 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.167 12.168 -25.030 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.638 15.339 -28.463 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.077 14.449 -25.082 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.312 16.038 -26.799 1.00 0.00 H new ATOM 856 N THR A 61 22.387 10.360 -29.369 1.00 0.00 N ATOM 857 CA THR A 61 21.921 10.634 -30.720 1.00 0.00 C ATOM 858 C THR A 61 20.860 11.726 -30.727 1.00 0.00 C ATOM 859 O THR A 61 19.896 11.675 -29.964 1.00 0.00 O ATOM 860 CB THR A 61 21.349 9.369 -31.387 1.00 0.00 C ATOM 861 OG1 THR A 61 21.753 8.205 -30.656 1.00 0.00 O ATOM 862 CG2 THR A 61 21.819 9.255 -32.828 1.00 0.00 C ATOM 0 H THR A 61 21.649 10.139 -28.700 1.00 0.00 H new ATOM 0 HA THR A 61 22.787 10.973 -31.288 1.00 0.00 H new ATOM 0 HB THR A 61 20.262 9.444 -31.382 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.384 7.405 -31.085 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.401 8.354 -33.277 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.486 10.128 -33.390 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.907 9.202 -32.853 1.00 0.00 H new ATOM 870 N TYR A 62 21.048 12.713 -31.593 1.00 0.00 N ATOM 871 CA TYR A 62 20.109 13.818 -31.704 1.00 0.00 C ATOM 872 C TYR A 62 20.017 14.305 -33.146 1.00 0.00 C ATOM 873 O TYR A 62 21.028 14.631 -33.770 1.00 0.00 O ATOM 874 CB TYR A 62 20.531 14.969 -30.791 1.00 0.00 C ATOM 875 CG TYR A 62 19.686 16.211 -30.958 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.413 16.286 -30.407 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.160 17.306 -31.668 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.637 17.419 -30.559 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.390 18.442 -31.825 1.00 0.00 C ATOM 880 CZ TYR A 62 18.129 18.494 -31.269 1.00 0.00 C ATOM 881 OH TYR A 62 17.359 19.623 -31.422 1.00 0.00 O ATOM 0 H TYR A 62 21.844 12.770 -32.229 1.00 0.00 H new ATOM 0 HA TYR A 62 19.127 13.462 -31.394 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.476 14.639 -29.754 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.573 15.218 -30.992 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.024 15.446 -29.851 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.147 17.269 -32.105 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.650 17.463 -30.124 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.774 19.285 -32.380 1.00 0.00 H new ATOM 0 HH TYR A 62 16.768 19.723 -30.647 1.00 0.00 H new ATOM 891 N ASN A 63 18.798 14.345 -33.671 1.00 0.00 N ATOM 892 CA ASN A 63 18.572 14.788 -35.041 1.00 0.00 C ATOM 893 C ASN A 63 19.083 13.759 -36.046 1.00 0.00 C ATOM 894 O ASN A 63 19.007 13.971 -37.256 1.00 0.00 O ATOM 895 CB ASN A 63 19.257 16.133 -35.279 1.00 0.00 C ATOM 896 CG ASN A 63 18.266 17.244 -35.559 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.014 17.591 -36.713 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.696 17.808 -34.501 1.00 0.00 N ATOM 0 H ASN A 63 17.952 14.076 -33.169 1.00 0.00 H new ATOM 0 HA ASN A 63 17.497 14.900 -35.185 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.853 16.394 -34.405 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.945 16.043 -36.119 1.00 0.00 H new ATOM 0 HD21 ASN A 63 17.019 18.561 -34.627 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.935 17.489 -33.562 1.00 0.00 H new ATOM 905 N GLY A 64 19.598 12.642 -35.539 1.00 0.00 N ATOM 906 CA GLY A 64 20.104 11.601 -36.414 1.00 0.00 C ATOM 907 C GLY A 64 21.601 11.393 -36.286 1.00 0.00 C ATOM 908 O GLY A 64 22.128 10.372 -36.729 1.00 0.00 O ATOM 0 H GLY A 64 19.673 12.440 -34.542 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.592 10.665 -36.189 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.865 11.855 -37.447 1.00 0.00 H new ATOM 912 N ARG A 65 22.294 12.355 -35.683 1.00 0.00 N ATOM 913 CA ARG A 65 23.740 12.248 -35.514 1.00 0.00 C ATOM 914 C ARG A 65 24.099 11.816 -34.094 1.00 0.00 C ATOM 915 O ARG A 65 23.251 11.320 -33.353 1.00 0.00 O ATOM 916 CB ARG A 65 24.422 13.575 -35.857 1.00 0.00 C ATOM 917 CG ARG A 65 24.035 14.723 -34.943 1.00 0.00 C ATOM 918 CD ARG A 65 23.818 16.004 -35.733 1.00 0.00 C ATOM 919 NE ARG A 65 22.622 16.724 -35.306 1.00 0.00 N ATOM 920 CZ ARG A 65 22.101 17.743 -35.982 1.00 0.00 C ATOM 921 NH1 ARG A 65 22.657 18.139 -37.119 1.00 0.00 N ATOM 922 NH2 ARG A 65 21.021 18.363 -35.525 1.00 0.00 N ATOM 0 H ARG A 65 21.883 13.209 -35.307 1.00 0.00 H new ATOM 0 HA ARG A 65 24.101 11.483 -36.201 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.502 13.438 -35.814 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.176 13.843 -36.884 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.125 14.468 -34.400 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.817 14.879 -34.199 1.00 0.00 H new ATOM 0 HD2 ARG A 65 24.688 16.650 -35.619 1.00 0.00 H new ATOM 0 HD3 ARG A 65 23.736 15.765 -36.793 1.00 0.00 H new ATOM 0 HE ARG A 65 22.162 16.430 -34.444 1.00 0.00 H new ATOM 0 HH11 ARG A 65 23.485 17.662 -37.475 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.257 18.921 -37.637 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.589 18.058 -34.653 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.623 19.145 -36.046 1.00 0.00 H new ATOM 936 N THR A 66 25.362 11.998 -33.724 1.00 0.00 N ATOM 937 CA THR A 66 25.834 11.614 -32.397 1.00 0.00 C ATOM 938 C THR A 66 26.818 12.638 -31.840 1.00 0.00 C ATOM 939 O THR A 66 27.510 13.323 -32.593 1.00 0.00 O ATOM 940 CB THR A 66 26.508 10.227 -32.429 1.00 0.00 C ATOM 941 OG1 THR A 66 25.667 9.290 -33.114 1.00 0.00 O ATOM 942 CG2 THR A 66 26.793 9.722 -31.021 1.00 0.00 C ATOM 0 H THR A 66 26.078 12.409 -34.323 1.00 0.00 H new ATOM 0 HA THR A 66 24.960 11.574 -31.747 1.00 0.00 H new ATOM 0 HB THR A 66 27.456 10.325 -32.959 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.102 8.412 -33.132 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.268 8.742 -31.075 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.457 10.420 -30.512 1.00 0.00 H new ATOM 0 HG23 THR A 66 25.858 9.642 -30.467 1.00 0.00 H new ATOM 950 N PHE A 67 26.874 12.739 -30.514 1.00 0.00 N ATOM 951 CA PHE A 67 27.770 13.683 -29.856 1.00 0.00 C ATOM 952 C PHE A 67 28.436 13.046 -28.638 1.00 0.00 C ATOM 953 O PHE A 67 27.771 12.431 -27.805 1.00 0.00 O ATOM 954 CB PHE A 67 26.996 14.933 -29.441 1.00 0.00 C ATOM 955 CG PHE A 67 26.014 15.394 -30.480 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.872 14.655 -30.750 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.236 16.563 -31.189 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.971 15.077 -31.708 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.337 16.989 -32.147 1.00 0.00 C ATOM 960 CZ PHE A 67 24.204 16.244 -32.408 1.00 0.00 C ATOM 0 H PHE A 67 26.309 12.179 -29.876 1.00 0.00 H new ATOM 0 HA PHE A 67 28.552 13.964 -30.561 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.463 14.731 -28.512 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.702 15.738 -29.235 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.685 13.741 -30.206 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.122 17.148 -30.990 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.084 14.494 -31.909 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.520 17.904 -32.691 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.501 16.574 -33.159 1.00 0.00 H new ATOM 970 N TYR A 68 29.754 13.194 -28.546 1.00 0.00 N ATOM 971 CA TYR A 68 30.515 12.629 -27.436 1.00 0.00 C ATOM 972 C TYR A 68 30.477 13.536 -26.211 1.00 0.00 C ATOM 973 O TYR A 68 31.017 13.190 -25.160 1.00 0.00 O ATOM 974 CB TYR A 68 31.966 12.401 -27.856 1.00 0.00 C ATOM 975 CG TYR A 68 32.162 11.204 -28.757 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.076 10.496 -29.248 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.437 10.783 -29.115 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.251 9.401 -30.073 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.621 9.691 -29.940 1.00 0.00 C ATOM 980 CZ TYR A 68 32.525 9.002 -30.416 1.00 0.00 C ATOM 981 OH TYR A 68 32.705 7.912 -31.237 1.00 0.00 O ATOM 0 H TYR A 68 30.318 13.701 -29.228 1.00 0.00 H new ATOM 0 HA TYR A 68 30.054 11.678 -27.171 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.330 13.292 -28.368 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.577 12.275 -26.962 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.076 10.805 -28.981 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.298 11.318 -28.742 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.394 8.861 -30.447 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.618 9.378 -30.211 1.00 0.00 H new ATOM 0 HH TYR A 68 32.880 8.217 -32.152 1.00 0.00 H new ATOM 991 N SER A 69 29.850 14.701 -26.346 1.00 0.00 N ATOM 992 CA SER A 69 29.766 15.645 -25.235 1.00 0.00 C ATOM 993 C SER A 69 28.725 16.729 -25.494 1.00 0.00 C ATOM 994 O SER A 69 27.931 16.638 -26.430 1.00 0.00 O ATOM 995 CB SER A 69 31.131 16.289 -24.987 1.00 0.00 C ATOM 996 OG SER A 69 31.714 15.805 -23.791 1.00 0.00 O ATOM 0 H SER A 69 29.396 15.013 -27.205 1.00 0.00 H new ATOM 0 HA SER A 69 29.458 15.087 -24.351 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.793 16.081 -25.828 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.020 17.372 -24.929 1.00 0.00 H new ATOM 0 HG SER A 69 31.701 14.825 -23.794 1.00 0.00 H new ATOM 1002 N CYS A 70 28.740 17.753 -24.646 1.00 0.00 N ATOM 1003 CA CYS A 70 27.807 18.865 -24.758 1.00 0.00 C ATOM 1004 C CYS A 70 27.809 19.448 -26.168 1.00 0.00 C ATOM 1005 O CYS A 70 28.775 19.290 -26.914 1.00 0.00 O ATOM 1006 CB CYS A 70 28.167 19.948 -23.740 1.00 0.00 C ATOM 1007 SG CYS A 70 28.613 19.296 -22.097 1.00 0.00 S ATOM 0 H CYS A 70 29.395 17.834 -23.868 1.00 0.00 H new ATOM 0 HA CYS A 70 26.804 18.492 -24.551 1.00 0.00 H new ATOM 0 HB2 CYS A 70 29.001 20.534 -24.127 1.00 0.00 H new ATOM 0 HB3 CYS A 70 27.322 20.628 -23.633 1.00 0.00 H new ATOM 1012 N THR A 71 26.720 20.124 -26.524 1.00 0.00 N ATOM 1013 CA THR A 71 26.594 20.731 -27.843 1.00 0.00 C ATOM 1014 C THR A 71 25.534 21.828 -27.841 1.00 0.00 C ATOM 1015 O THR A 71 24.957 22.147 -26.801 1.00 0.00 O ATOM 1016 CB THR A 71 26.226 19.684 -28.911 1.00 0.00 C ATOM 1017 OG1 THR A 71 26.313 20.265 -30.218 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.820 19.151 -28.680 1.00 0.00 C ATOM 0 H THR A 71 25.913 20.264 -25.916 1.00 0.00 H new ATOM 0 HA THR A 71 27.565 21.163 -28.087 1.00 0.00 H new ATOM 0 HB THR A 71 26.930 18.855 -28.836 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.708 19.617 -30.838 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.580 18.413 -29.445 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.765 18.685 -27.696 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.106 19.973 -28.732 1.00 0.00 H new ATOM 1026 N THR A 72 25.282 22.401 -29.013 1.00 0.00 N ATOM 1027 CA THR A 72 24.291 23.462 -29.147 1.00 0.00 C ATOM 1028 C THR A 72 23.486 23.300 -30.431 1.00 0.00 C ATOM 1029 O THR A 72 22.970 24.272 -30.982 1.00 0.00 O ATOM 1030 CB THR A 72 24.952 24.851 -29.139 1.00 0.00 C ATOM 1031 OG1 THR A 72 25.806 24.995 -30.280 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.757 25.052 -27.866 1.00 0.00 C ATOM 0 H THR A 72 25.750 22.149 -29.883 1.00 0.00 H new ATOM 0 HA THR A 72 23.622 23.383 -28.290 1.00 0.00 H new ATOM 0 HB THR A 72 24.167 25.606 -29.180 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.221 25.883 -30.268 1.00 0.00 H new ATOM 0 HG21 THR A 72 26.217 26.040 -27.879 1.00 0.00 H new ATOM 0 HG22 THR A 72 25.098 24.970 -27.002 1.00 0.00 H new ATOM 0 HG23 THR A 72 26.534 24.291 -27.803 1.00 0.00 H new ATOM 1040 N GLU A 73 23.385 22.062 -30.900 1.00 0.00 N ATOM 1041 CA GLU A 73 22.644 21.765 -32.121 1.00 0.00 C ATOM 1042 C GLU A 73 21.144 21.725 -31.849 1.00 0.00 C ATOM 1043 O GLU A 73 20.335 22.064 -32.713 1.00 0.00 O ATOM 1044 CB GLU A 73 23.107 20.429 -32.705 1.00 0.00 C ATOM 1045 CG GLU A 73 24.596 20.385 -33.012 1.00 0.00 C ATOM 1046 CD GLU A 73 24.884 19.964 -34.439 1.00 0.00 C ATOM 1047 OE1 GLU A 73 24.201 19.042 -34.935 1.00 0.00 O ATOM 1048 OE2 GLU A 73 25.791 20.554 -35.061 1.00 0.00 O ATOM 0 H GLU A 73 23.807 21.247 -30.454 1.00 0.00 H new ATOM 0 HA GLU A 73 22.841 22.558 -32.843 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.865 19.631 -32.003 1.00 0.00 H new ATOM 0 HB3 GLU A 73 22.549 20.229 -33.620 1.00 0.00 H new ATOM 0 HG2 GLU A 73 25.029 21.369 -32.833 1.00 0.00 H new ATOM 0 HG3 GLU A 73 25.084 19.692 -32.327 1.00 0.00 H new ATOM 1055 N GLY A 74 20.780 21.308 -30.641 1.00 0.00 N ATOM 1056 CA GLY A 74 19.378 21.229 -30.274 1.00 0.00 C ATOM 1057 C GLY A 74 19.043 22.097 -29.080 1.00 0.00 C ATOM 1058 O GLY A 74 18.695 21.592 -28.012 1.00 0.00 O ATOM 0 H GLY A 74 21.431 21.023 -29.909 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.766 21.532 -31.123 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.122 20.193 -30.050 1.00 0.00 H new ATOM 1122 N HIS A 79 22.937 28.029 -24.226 1.00 0.00 N ATOM 1123 CA HIS A 79 23.787 27.328 -23.269 1.00 0.00 C ATOM 1124 C HIS A 79 23.992 25.875 -23.683 1.00 0.00 C ATOM 1125 O HIS A 79 23.030 25.125 -23.848 1.00 0.00 O ATOM 1126 CB HIS A 79 23.168 27.383 -21.872 1.00 0.00 C ATOM 1127 CG HIS A 79 22.268 28.561 -21.656 1.00 0.00 C ATOM 1128 ND1 HIS A 79 21.124 28.681 -20.942 1.00 0.00 N flip ATOM 1129 CD2 HIS A 79 22.505 29.803 -22.208 1.00 0.00 C flip ATOM 1130 CE1 HIS A 79 20.696 29.979 -21.073 1.00 0.00 C flip ATOM 1131 NE2 HIS A 79 21.547 30.635 -21.841 1.00 0.00 N flip ATOM 0 HA HIS A 79 24.757 27.825 -23.254 1.00 0.00 H new ATOM 0 HB2 HIS A 79 22.601 26.468 -21.699 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.967 27.407 -21.131 1.00 0.00 H new ATOM 0 HD1 HIS A 79 20.665 27.944 -20.406 1.00 0.00 H new ATOM 0 HD2 HIS A 79 23.343 30.055 -22.841 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.808 30.396 -20.621 1.00 0.00 H new ATOM 1140 N LEU A 80 25.253 25.478 -23.841 1.00 0.00 N ATOM 1141 CA LEU A 80 25.578 24.111 -24.225 1.00 0.00 C ATOM 1142 C LEU A 80 24.730 23.129 -23.432 1.00 0.00 C ATOM 1143 O LEU A 80 24.485 23.332 -22.245 1.00 0.00 O ATOM 1144 CB LEU A 80 27.058 23.832 -23.971 1.00 0.00 C ATOM 1145 CG LEU A 80 28.017 24.335 -25.048 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.603 25.716 -25.531 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.441 24.360 -24.513 1.00 0.00 C ATOM 0 H LEU A 80 26.063 26.084 -23.709 1.00 0.00 H new ATOM 0 HA LEU A 80 25.368 23.988 -25.287 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.337 24.286 -23.020 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.193 22.756 -23.863 1.00 0.00 H new ATOM 0 HG LEU A 80 27.976 23.652 -25.896 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.299 26.057 -26.298 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.597 25.669 -25.948 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.616 26.413 -24.693 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.115 24.720 -25.290 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.494 25.024 -23.650 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.735 23.354 -24.215 1.00 0.00 H new ATOM 1159 N TRP A 81 24.281 22.067 -24.088 1.00 0.00 N ATOM 1160 CA TRP A 81 23.455 21.067 -23.424 1.00 0.00 C ATOM 1161 C TRP A 81 23.924 19.653 -23.743 1.00 0.00 C ATOM 1162 O TRP A 81 24.720 19.438 -24.658 1.00 0.00 O ATOM 1163 CB TRP A 81 21.995 21.230 -23.843 1.00 0.00 C ATOM 1164 CG TRP A 81 21.781 21.042 -25.313 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.822 22.008 -26.276 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.495 19.812 -25.988 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.574 21.455 -27.510 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.372 20.107 -27.359 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.331 18.489 -25.567 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.091 19.129 -28.310 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.054 17.519 -26.511 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.936 17.842 -27.868 1.00 0.00 C ATOM 0 H TRP A 81 24.473 21.876 -25.072 1.00 0.00 H new ATOM 0 HA TRP A 81 23.548 21.222 -22.349 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.384 20.510 -23.298 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.650 22.223 -23.556 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.020 23.054 -26.095 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.545 21.964 -28.393 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.419 18.230 -24.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.999 19.376 -29.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.926 16.494 -26.197 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.718 17.060 -28.581 1.00 0.00 H new ATOM 1183 N CYS A 82 23.412 18.694 -22.981 1.00 0.00 N ATOM 1184 CA CYS A 82 23.755 17.290 -23.168 1.00 0.00 C ATOM 1185 C CYS A 82 22.610 16.401 -22.701 1.00 0.00 C ATOM 1186 O CYS A 82 21.630 16.885 -22.135 1.00 0.00 O ATOM 1187 CB CYS A 82 25.035 16.946 -22.403 1.00 0.00 C ATOM 1188 SG CYS A 82 24.798 16.750 -20.607 1.00 0.00 S ATOM 0 H CYS A 82 22.753 18.866 -22.222 1.00 0.00 H new ATOM 0 HA CYS A 82 23.926 17.114 -24.230 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.450 16.022 -22.807 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.772 17.730 -22.578 1.00 0.00 H new ATOM 1193 N SER A 83 22.733 15.101 -22.938 1.00 0.00 N ATOM 1194 CA SER A 83 21.699 14.156 -22.534 1.00 0.00 C ATOM 1195 C SER A 83 22.113 13.410 -21.271 1.00 0.00 C ATOM 1196 O SER A 83 23.241 12.935 -21.166 1.00 0.00 O ATOM 1197 CB SER A 83 21.415 13.164 -23.663 1.00 0.00 C ATOM 1198 OG SER A 83 20.942 11.929 -23.153 1.00 0.00 O ATOM 0 H SER A 83 23.535 14.678 -23.406 1.00 0.00 H new ATOM 0 HA SER A 83 20.789 14.717 -22.320 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.676 13.586 -24.344 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.324 12.998 -24.242 1.00 0.00 H new ATOM 0 HG SER A 83 20.287 11.548 -23.774 1.00 0.00 H new ATOM 1204 N THR A 84 21.196 13.310 -20.316 1.00 0.00 N ATOM 1205 CA THR A 84 21.470 12.621 -19.063 1.00 0.00 C ATOM 1206 C THR A 84 20.982 11.179 -19.120 1.00 0.00 C ATOM 1207 O THR A 84 21.402 10.337 -18.326 1.00 0.00 O ATOM 1208 CB THR A 84 20.805 13.331 -17.869 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.429 12.949 -17.775 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.908 14.842 -18.009 1.00 0.00 C ATOM 0 H THR A 84 20.255 13.698 -20.387 1.00 0.00 H new ATOM 0 HA THR A 84 22.551 12.635 -18.922 1.00 0.00 H new ATOM 0 HB THR A 84 21.328 13.030 -16.961 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.057 13.273 -16.928 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.431 15.320 -17.153 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.958 15.133 -18.049 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.409 15.157 -18.925 1.00 0.00 H new ATOM 1218 N THR A 85 20.095 10.902 -20.068 1.00 0.00 N ATOM 1219 CA THR A 85 19.548 9.564 -20.240 1.00 0.00 C ATOM 1220 C THR A 85 19.781 9.059 -21.661 1.00 0.00 C ATOM 1221 O THR A 85 19.557 9.782 -22.631 1.00 0.00 O ATOM 1222 CB THR A 85 18.037 9.536 -19.929 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.828 9.639 -18.515 1.00 0.00 O ATOM 1224 CG2 THR A 85 17.392 8.259 -20.448 1.00 0.00 C ATOM 0 H THR A 85 19.739 11.590 -20.731 1.00 0.00 H new ATOM 0 HA THR A 85 20.065 8.910 -19.538 1.00 0.00 H new ATOM 0 HB THR A 85 17.573 10.384 -20.432 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.867 9.622 -18.324 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.327 8.268 -20.214 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.526 8.197 -21.528 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.860 7.396 -19.974 1.00 0.00 H new ATOM 1232 N SER A 86 20.232 7.814 -21.776 1.00 0.00 N ATOM 1233 CA SER A 86 20.495 7.216 -23.079 1.00 0.00 C ATOM 1234 C SER A 86 19.427 7.628 -24.085 1.00 0.00 C ATOM 1235 O SER A 86 19.712 7.823 -25.267 1.00 0.00 O ATOM 1236 CB SER A 86 20.547 5.692 -22.965 1.00 0.00 C ATOM 1237 OG SER A 86 19.258 5.123 -23.121 1.00 0.00 O ATOM 0 H SER A 86 20.423 7.201 -20.984 1.00 0.00 H new ATOM 0 HA SER A 86 21.462 7.577 -23.431 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.219 5.290 -23.723 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.957 5.411 -21.995 1.00 0.00 H new ATOM 0 HG SER A 86 19.320 4.148 -23.046 1.00 0.00 H new ATOM 1243 N ASN A 87 18.196 7.761 -23.604 1.00 0.00 N ATOM 1244 CA ASN A 87 17.080 8.153 -24.455 1.00 0.00 C ATOM 1245 C ASN A 87 16.613 9.564 -24.115 1.00 0.00 C ATOM 1246 O ASN A 87 15.783 9.758 -23.228 1.00 0.00 O ATOM 1247 CB ASN A 87 15.923 7.166 -24.296 1.00 0.00 C ATOM 1248 CG ASN A 87 15.536 6.512 -25.607 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.051 6.868 -26.667 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.624 5.551 -25.542 1.00 0.00 N ATOM 0 H ASN A 87 17.946 7.603 -22.628 1.00 0.00 H new ATOM 0 HA ASN A 87 17.418 8.141 -25.491 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.203 6.395 -23.578 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.059 7.687 -23.884 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.323 5.075 -26.392 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.224 5.288 -24.642 1.00 0.00 H new ATOM 1257 N TYR A 88 17.154 10.547 -24.827 1.00 0.00 N ATOM 1258 CA TYR A 88 16.796 11.942 -24.602 1.00 0.00 C ATOM 1259 C TYR A 88 15.504 12.295 -25.331 1.00 0.00 C ATOM 1260 O TYR A 88 14.729 13.134 -24.872 1.00 0.00 O ATOM 1261 CB TYR A 88 17.932 12.860 -25.065 1.00 0.00 C ATOM 1262 CG TYR A 88 17.483 14.262 -25.415 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.204 15.191 -24.421 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.338 14.652 -26.740 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.792 16.472 -24.739 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.926 15.931 -27.066 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.655 16.836 -26.062 1.00 0.00 C ATOM 1268 OH TYR A 88 16.245 18.110 -26.383 1.00 0.00 O ATOM 0 H TYR A 88 17.843 10.403 -25.565 1.00 0.00 H new ATOM 0 HA TYR A 88 16.636 12.086 -23.533 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.684 12.916 -24.278 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.414 12.415 -25.936 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.310 14.909 -23.384 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.550 13.945 -27.528 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.579 17.184 -23.955 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.817 16.219 -28.101 1.00 0.00 H new ATOM 0 HH TYR A 88 16.201 18.204 -27.358 1.00 0.00 H new ATOM 1278 N GLU A 89 15.278 11.650 -26.471 1.00 0.00 N ATOM 1279 CA GLU A 89 14.079 11.898 -27.262 1.00 0.00 C ATOM 1280 C GLU A 89 12.844 11.308 -26.586 1.00 0.00 C ATOM 1281 O GLU A 89 11.725 11.464 -27.074 1.00 0.00 O ATOM 1282 CB GLU A 89 14.237 11.314 -28.667 1.00 0.00 C ATOM 1283 CG GLU A 89 15.343 11.970 -29.477 1.00 0.00 C ATOM 1284 CD GLU A 89 14.818 12.706 -30.695 1.00 0.00 C ATOM 1285 OE1 GLU A 89 13.588 12.907 -30.781 1.00 0.00 O ATOM 1286 OE2 GLU A 89 15.636 13.079 -31.561 1.00 0.00 O ATOM 0 H GLU A 89 15.909 10.953 -26.867 1.00 0.00 H new ATOM 0 HA GLU A 89 13.945 12.977 -27.339 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.441 10.246 -28.587 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.294 11.419 -29.203 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.887 12.669 -28.842 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.055 11.209 -29.796 1.00 0.00 H new ATOM 1293 N GLN A 90 13.054 10.631 -25.462 1.00 0.00 N ATOM 1294 CA GLN A 90 11.958 10.022 -24.721 1.00 0.00 C ATOM 1295 C GLN A 90 11.877 10.596 -23.310 1.00 0.00 C ATOM 1296 O GLN A 90 10.805 10.981 -22.843 1.00 0.00 O ATOM 1297 CB GLN A 90 12.134 8.501 -24.664 1.00 0.00 C ATOM 1298 CG GLN A 90 11.475 7.850 -23.458 1.00 0.00 C ATOM 1299 CD GLN A 90 9.966 7.994 -23.472 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.399 8.634 -24.357 1.00 0.00 O ATOM 1301 NE2 GLN A 90 9.305 7.397 -22.486 1.00 0.00 N ATOM 0 H GLN A 90 13.974 10.491 -25.045 1.00 0.00 H new ATOM 0 HA GLN A 90 11.027 10.249 -25.240 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.721 8.063 -25.572 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.199 8.268 -24.654 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.735 6.792 -23.433 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.871 8.297 -22.546 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.815 6.876 -21.772 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.288 7.460 -22.443 1.00 0.00 H new ATOM 1310 N ASP A 91 13.020 10.648 -22.638 1.00 0.00 N ATOM 1311 CA ASP A 91 13.086 11.174 -21.280 1.00 0.00 C ATOM 1312 C ASP A 91 13.072 12.698 -21.291 1.00 0.00 C ATOM 1313 O ASP A 91 12.428 13.332 -20.456 1.00 0.00 O ATOM 1314 CB ASP A 91 14.346 10.666 -20.575 1.00 0.00 C ATOM 1315 CG ASP A 91 14.295 9.177 -20.300 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.729 8.784 -19.258 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.820 8.402 -21.127 1.00 0.00 O ATOM 0 H ASP A 91 13.915 10.332 -23.011 1.00 0.00 H new ATOM 0 HA ASP A 91 12.210 10.824 -20.735 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.218 10.889 -21.190 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.474 11.202 -19.635 1.00 0.00 H new ATOM 1322 N GLN A 92 13.785 13.278 -22.250 1.00 0.00 N ATOM 1323 CA GLN A 92 13.856 14.729 -22.380 1.00 0.00 C ATOM 1324 C GLN A 92 14.582 15.356 -21.193 1.00 0.00 C ATOM 1325 O GLN A 92 14.313 16.498 -20.823 1.00 0.00 O ATOM 1326 CB GLN A 92 12.450 15.319 -22.499 1.00 0.00 C ATOM 1327 CG GLN A 92 11.924 15.355 -23.925 1.00 0.00 C ATOM 1328 CD GLN A 92 12.924 15.945 -24.899 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.874 17.261 -25.074 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 13.733 15.228 -25.487 1.00 0.00 N flip ATOM 0 H GLN A 92 14.322 12.765 -22.949 1.00 0.00 H new ATOM 0 HA GLN A 92 14.420 14.956 -23.284 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.766 14.735 -21.883 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.455 16.332 -22.097 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.669 14.343 -24.240 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.005 15.940 -23.955 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.736 14.221 -25.322 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.400 15.640 -26.139 1.00 0.00 H new ATOM 1339 N LYS A 93 15.503 14.603 -20.600 1.00 0.00 N ATOM 1340 CA LYS A 93 16.266 15.090 -19.457 1.00 0.00 C ATOM 1341 C LYS A 93 17.649 15.564 -19.891 1.00 0.00 C ATOM 1342 O LYS A 93 18.645 14.864 -19.701 1.00 0.00 O ATOM 1343 CB LYS A 93 16.396 13.994 -18.397 1.00 0.00 C ATOM 1344 CG LYS A 93 15.197 13.900 -17.469 1.00 0.00 C ATOM 1345 CD LYS A 93 13.902 13.746 -18.250 1.00 0.00 C ATOM 1346 CE LYS A 93 12.918 12.843 -17.524 1.00 0.00 C ATOM 1347 NZ LYS A 93 13.563 11.588 -17.046 1.00 0.00 N ATOM 0 H LYS A 93 15.739 13.654 -20.892 1.00 0.00 H new ATOM 0 HA LYS A 93 15.730 15.936 -19.027 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.536 13.034 -18.894 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.291 14.179 -17.803 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.321 13.051 -16.796 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.145 14.794 -16.848 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.451 14.726 -18.406 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.117 13.333 -19.236 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.492 13.378 -16.675 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.092 12.595 -18.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.928 10.783 -17.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.457 11.441 -17.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.754 11.663 -16.026 1.00 0.00 H new ATOM 1361 N TYR A 94 17.703 16.755 -20.478 1.00 0.00 N ATOM 1362 CA TYR A 94 18.963 17.323 -20.944 1.00 0.00 C ATOM 1363 C TYR A 94 19.579 18.236 -19.889 1.00 0.00 C ATOM 1364 O TYR A 94 18.884 18.746 -19.010 1.00 0.00 O ATOM 1365 CB TYR A 94 18.747 18.103 -22.242 1.00 0.00 C ATOM 1366 CG TYR A 94 18.165 19.483 -22.033 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.935 20.511 -21.501 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.845 19.759 -22.365 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.407 21.774 -21.309 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.309 21.018 -22.176 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.093 22.021 -21.648 1.00 0.00 C ATOM 1372 OH TYR A 94 16.562 23.277 -21.457 1.00 0.00 O ATOM 0 H TYR A 94 16.888 17.346 -20.642 1.00 0.00 H new ATOM 0 HA TYR A 94 19.652 16.499 -21.130 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.700 18.195 -22.763 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.083 17.533 -22.892 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.964 20.320 -21.233 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.227 18.976 -22.778 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.019 22.562 -20.896 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.281 21.215 -22.441 1.00 0.00 H new ATOM 0 HH TYR A 94 15.626 23.284 -21.748 1.00 0.00 H new ATOM 1382 N SER A 95 20.888 18.440 -19.987 1.00 0.00 N ATOM 1383 CA SER A 95 21.605 19.295 -19.049 1.00 0.00 C ATOM 1384 C SER A 95 22.266 20.458 -19.781 1.00 0.00 C ATOM 1385 O SER A 95 22.019 20.674 -20.968 1.00 0.00 O ATOM 1386 CB SER A 95 22.659 18.487 -18.290 1.00 0.00 C ATOM 1387 OG SER A 95 22.622 17.120 -18.664 1.00 0.00 O ATOM 0 H SER A 95 21.476 18.023 -20.709 1.00 0.00 H new ATOM 0 HA SER A 95 20.886 19.696 -18.334 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.649 18.896 -18.491 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.489 18.578 -17.217 1.00 0.00 H new ATOM 0 HG SER A 95 23.075 17.004 -19.525 1.00 0.00 H new ATOM 1393 N PHE A 96 23.108 21.204 -19.074 1.00 0.00 N ATOM 1394 CA PHE A 96 23.797 22.340 -19.671 1.00 0.00 C ATOM 1395 C PHE A 96 25.304 22.103 -19.717 1.00 0.00 C ATOM 1396 O PHE A 96 25.777 21.010 -19.407 1.00 0.00 O ATOM 1397 CB PHE A 96 23.483 23.621 -18.896 1.00 0.00 C ATOM 1398 CG PHE A 96 22.245 24.320 -19.386 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.968 24.395 -20.742 1.00 0.00 C ATOM 1400 CD2 PHE A 96 21.357 24.898 -18.493 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.831 25.032 -21.198 1.00 0.00 C ATOM 1402 CE2 PHE A 96 20.217 25.535 -18.943 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.955 25.603 -20.298 1.00 0.00 C ATOM 0 H PHE A 96 23.329 21.043 -18.091 1.00 0.00 H new ATOM 0 HA PHE A 96 23.440 22.453 -20.695 1.00 0.00 H new ATOM 0 HB2 PHE A 96 23.362 23.379 -17.840 1.00 0.00 H new ATOM 0 HB3 PHE A 96 24.331 24.301 -18.972 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.650 23.950 -21.451 1.00 0.00 H new ATOM 0 HD2 PHE A 96 21.559 24.850 -17.433 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.628 25.083 -22.257 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.531 25.979 -18.237 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.065 26.103 -20.652 1.00 0.00 H new ATOM 1413 N CYS A 97 26.053 23.128 -20.113 1.00 0.00 N ATOM 1414 CA CYS A 97 27.505 23.017 -20.205 1.00 0.00 C ATOM 1415 C CYS A 97 28.161 24.388 -20.326 1.00 0.00 C ATOM 1416 O CYS A 97 28.538 24.810 -21.418 1.00 0.00 O ATOM 1417 CB CYS A 97 27.892 22.157 -21.408 1.00 0.00 C ATOM 1418 SG CYS A 97 29.202 20.941 -21.064 1.00 0.00 S ATOM 0 H CYS A 97 25.681 24.041 -20.374 1.00 0.00 H new ATOM 0 HA CYS A 97 27.861 22.546 -19.288 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.007 21.630 -21.764 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.221 22.810 -22.217 1.00 0.00 H new ATOM 1423 N THR A 98 28.304 25.078 -19.201 1.00 0.00 N ATOM 1424 CA THR A 98 28.924 26.396 -19.202 1.00 0.00 C ATOM 1425 C THR A 98 30.431 26.289 -19.362 1.00 0.00 C ATOM 1426 O THR A 98 30.990 25.193 -19.350 1.00 0.00 O ATOM 1427 CB THR A 98 28.616 27.174 -17.918 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.529 28.268 -17.776 1.00 0.00 O ATOM 1429 CG2 THR A 98 28.712 26.266 -16.702 1.00 0.00 C ATOM 0 H THR A 98 28.002 24.750 -18.284 1.00 0.00 H new ATOM 0 HA THR A 98 28.502 26.936 -20.049 1.00 0.00 H new ATOM 0 HB THR A 98 27.598 27.559 -17.987 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.324 28.761 -16.954 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.490 26.839 -15.802 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.995 25.450 -16.799 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.720 25.857 -16.632 1.00 0.00 H new