USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.028) USER MOD Set 2.1: A 17 GLN : amide:sc= -0.0806 K(o=-0.57,f=-1.2) USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= -0.488 USER MOD Set 3.1: A 3 HIS :FLIP no HE2:sc= -1.44! C(o=-5.1!,f=-1.2!) USER MOD Set 3.2: A 13 SER OG : rot 4:sc= 0.23 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 8 SER OG : rot 65:sc= 0.742 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 16 MET CE :methyl -142:sc= -4.49! (180deg=-5.98!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -5.42! C(o=-5.4!,f=-13!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0606 X(o=-0.061,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -49:sc= 0.709 USER MOD Single : A 50 ASN : amide:sc= 0.0126 X(o=0.013,f=-0.012) USER MOD Single : A 51 SER OG : rot 110:sc= -2.44! USER MOD Single : A 52 ASN : amide:sc= -0.822 K(o=-0.82,f=-1.8) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.96! USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 45:sc= 1.16 USER MOD Single : A 71 THR OG1 : rot 178:sc= 1.11 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.303 K(o=-0.3,f=-2.2!) USER MOD Single : A 83 SER OG : rot -132:sc= -1.05! USER MOD Single : A 84 THR OG1 : rot -89:sc= -2.31! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.117 USER MOD Single : A 87 ASN : amide:sc= -1.03 K(o=-1,f=-3.1!) USER MOD Single : A 90 GLN : amide:sc= -0.395 K(o=-0.4,f=-2.8!) USER MOD Single : A 93 LYS NZ :NH3+ -110:sc= 1.2 (180deg=-0.622) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 104:sc= 0.149 USER MOD Single : A 98 THR OG1 : rot 140:sc= -0.744 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 47.370 6.267 -40.677 1.00 0.00 N ATOM 32 CA HIS A 3 47.141 5.474 -39.474 1.00 0.00 C ATOM 33 C HIS A 3 47.773 6.142 -38.256 1.00 0.00 C ATOM 34 O HIS A 3 48.996 6.166 -38.118 1.00 0.00 O ATOM 35 CB HIS A 3 47.715 4.067 -39.652 1.00 0.00 C ATOM 36 CG HIS A 3 46.671 3.009 -39.843 1.00 0.00 C ATOM 37 ND1 HIS A 3 45.729 2.530 -38.997 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 46.519 2.306 -41.020 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 45.032 1.558 -39.671 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 45.527 1.442 -40.890 1.00 0.00 N flip ATOM 0 HA HIS A 3 46.065 5.404 -39.312 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.384 4.064 -40.512 1.00 0.00 H new ATOM 0 HB3 HIS A 3 48.317 3.817 -38.779 1.00 0.00 H new ATOM 0 HD1 HIS A 3 45.567 2.835 -38.037 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.117 2.440 -41.909 1.00 0.00 H new ATOM 0 HE1 HIS A 3 44.212 0.982 -39.269 1.00 0.00 H new ATOM 49 N CYS A 4 46.936 6.682 -37.374 1.00 0.00 N ATOM 50 CA CYS A 4 47.423 7.345 -36.173 1.00 0.00 C ATOM 51 C CYS A 4 47.625 6.340 -35.044 1.00 0.00 C ATOM 52 O CYS A 4 47.323 5.156 -35.191 1.00 0.00 O ATOM 53 CB CYS A 4 46.448 8.438 -35.734 1.00 0.00 C ATOM 54 SG CYS A 4 46.480 9.929 -36.781 1.00 0.00 S ATOM 0 H CYS A 4 45.921 6.672 -37.470 1.00 0.00 H new ATOM 0 HA CYS A 4 48.385 7.803 -36.405 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.437 8.029 -35.733 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.677 8.723 -34.707 1.00 0.00 H new ATOM 59 N VAL A 5 48.138 6.819 -33.915 1.00 0.00 N ATOM 60 CA VAL A 5 48.381 5.960 -32.763 1.00 0.00 C ATOM 61 C VAL A 5 48.279 6.743 -31.458 1.00 0.00 C ATOM 62 O VAL A 5 48.462 7.960 -31.436 1.00 0.00 O ATOM 63 CB VAL A 5 49.768 5.296 -32.841 1.00 0.00 C ATOM 64 CG1 VAL A 5 49.771 4.184 -33.877 1.00 0.00 C ATOM 65 CG2 VAL A 5 50.838 6.330 -33.154 1.00 0.00 C ATOM 0 H VAL A 5 48.393 7.797 -33.774 1.00 0.00 H new ATOM 0 HA VAL A 5 47.613 5.187 -32.780 1.00 0.00 H new ATOM 0 HB VAL A 5 49.994 4.856 -31.870 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.760 3.727 -33.917 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.033 3.430 -33.603 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.522 4.597 -34.855 1.00 0.00 H new ATOM 0 HG21 VAL A 5 51.811 5.842 -33.205 1.00 0.00 H new ATOM 0 HG22 VAL A 5 50.618 6.803 -34.111 1.00 0.00 H new ATOM 0 HG23 VAL A 5 50.852 7.087 -32.370 1.00 0.00 H new ATOM 75 N THR A 6 47.985 6.035 -30.371 1.00 0.00 N ATOM 76 CA THR A 6 47.859 6.661 -29.062 1.00 0.00 C ATOM 77 C THR A 6 49.171 6.590 -28.290 1.00 0.00 C ATOM 78 O THR A 6 49.573 7.553 -27.638 1.00 0.00 O ATOM 79 CB THR A 6 46.748 5.998 -28.226 1.00 0.00 C ATOM 80 OG1 THR A 6 47.284 4.895 -27.485 1.00 0.00 O ATOM 81 CG2 THR A 6 45.619 5.510 -29.121 1.00 0.00 C ATOM 0 H THR A 6 47.830 5.027 -30.373 1.00 0.00 H new ATOM 0 HA THR A 6 47.599 7.705 -29.235 1.00 0.00 H new ATOM 0 HB THR A 6 46.350 6.741 -27.535 1.00 0.00 H new ATOM 0 HG1 THR A 6 46.572 4.480 -26.955 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.845 5.045 -28.510 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.194 6.354 -29.664 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.007 4.780 -29.831 1.00 0.00 H new ATOM 89 N ASP A 7 49.838 5.441 -28.369 1.00 0.00 N ATOM 90 CA ASP A 7 51.106 5.243 -27.679 1.00 0.00 C ATOM 91 C ASP A 7 52.065 4.423 -28.532 1.00 0.00 C ATOM 92 O ASP A 7 53.119 4.908 -28.946 1.00 0.00 O ATOM 93 CB ASP A 7 50.878 4.547 -26.337 1.00 0.00 C ATOM 94 CG ASP A 7 51.072 5.483 -25.160 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.783 6.689 -25.307 1.00 0.00 O ATOM 96 OD2 ASP A 7 51.513 5.010 -24.092 1.00 0.00 O ATOM 0 H ASP A 7 49.520 4.634 -28.905 1.00 0.00 H new ATOM 0 HA ASP A 7 51.551 6.222 -27.501 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.868 4.138 -26.310 1.00 0.00 H new ATOM 0 HB3 ASP A 7 51.565 3.706 -26.246 1.00 0.00 H new ATOM 101 N SER A 8 51.691 3.177 -28.790 1.00 0.00 N ATOM 102 CA SER A 8 52.512 2.280 -29.594 1.00 0.00 C ATOM 103 C SER A 8 51.857 0.909 -29.719 1.00 0.00 C ATOM 104 O SER A 8 52.521 -0.121 -29.612 1.00 0.00 O ATOM 105 CB SER A 8 53.905 2.137 -28.976 1.00 0.00 C ATOM 106 OG SER A 8 53.882 1.257 -27.865 1.00 0.00 O ATOM 0 H SER A 8 50.822 2.763 -28.453 1.00 0.00 H new ATOM 0 HA SER A 8 52.606 2.711 -30.591 1.00 0.00 H new ATOM 0 HB2 SER A 8 54.602 1.763 -29.726 1.00 0.00 H new ATOM 0 HB3 SER A 8 54.269 3.115 -28.662 1.00 0.00 H new ATOM 0 HG SER A 8 53.647 0.355 -28.167 1.00 0.00 H new ATOM 112 N GLY A 9 50.547 0.905 -29.947 1.00 0.00 N ATOM 113 CA GLY A 9 49.821 -0.345 -30.084 1.00 0.00 C ATOM 114 C GLY A 9 48.556 -0.194 -30.903 1.00 0.00 C ATOM 115 O GLY A 9 48.363 -0.892 -31.897 1.00 0.00 O ATOM 0 H GLY A 9 49.975 1.745 -30.039 1.00 0.00 H new ATOM 0 HA2 GLY A 9 50.467 -1.087 -30.553 1.00 0.00 H new ATOM 0 HA3 GLY A 9 49.566 -0.724 -29.094 1.00 0.00 H new ATOM 119 N VAL A 10 47.694 0.723 -30.482 1.00 0.00 N ATOM 120 CA VAL A 10 46.438 0.970 -31.180 1.00 0.00 C ATOM 121 C VAL A 10 46.646 1.910 -32.361 1.00 0.00 C ATOM 122 O VAL A 10 46.688 3.130 -32.198 1.00 0.00 O ATOM 123 CB VAL A 10 45.380 1.572 -30.237 1.00 0.00 C ATOM 124 CG1 VAL A 10 43.994 1.474 -30.856 1.00 0.00 C ATOM 125 CG2 VAL A 10 45.417 0.881 -28.882 1.00 0.00 C ATOM 0 H VAL A 10 47.842 1.309 -29.660 1.00 0.00 H new ATOM 0 HA VAL A 10 46.081 0.006 -31.543 1.00 0.00 H new ATOM 0 HB VAL A 10 45.612 2.627 -30.088 1.00 0.00 H new ATOM 0 HG11 VAL A 10 43.260 1.905 -30.175 1.00 0.00 H new ATOM 0 HG12 VAL A 10 43.977 2.020 -31.799 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.750 0.427 -31.038 1.00 0.00 H new ATOM 0 HG21 VAL A 10 44.663 1.320 -28.229 1.00 0.00 H new ATOM 0 HG22 VAL A 10 45.212 -0.182 -29.010 1.00 0.00 H new ATOM 0 HG23 VAL A 10 46.403 1.009 -28.435 1.00 0.00 H new ATOM 135 N VAL A 11 46.779 1.335 -33.552 1.00 0.00 N ATOM 136 CA VAL A 11 46.989 2.119 -34.762 1.00 0.00 C ATOM 137 C VAL A 11 45.666 2.598 -35.352 1.00 0.00 C ATOM 138 O VAL A 11 45.028 1.887 -36.128 1.00 0.00 O ATOM 139 CB VAL A 11 47.748 1.310 -35.829 1.00 0.00 C ATOM 140 CG1 VAL A 11 48.245 2.223 -36.940 1.00 0.00 C ATOM 141 CG2 VAL A 11 48.903 0.547 -35.200 1.00 0.00 C ATOM 0 H VAL A 11 46.745 0.327 -33.704 1.00 0.00 H new ATOM 0 HA VAL A 11 47.587 2.984 -34.474 1.00 0.00 H new ATOM 0 HB VAL A 11 47.060 0.586 -36.266 1.00 0.00 H new ATOM 0 HG11 VAL A 11 48.779 1.633 -37.685 1.00 0.00 H new ATOM 0 HG12 VAL A 11 47.396 2.719 -37.411 1.00 0.00 H new ATOM 0 HG13 VAL A 11 48.917 2.973 -36.522 1.00 0.00 H new ATOM 0 HG21 VAL A 11 49.427 -0.019 -35.970 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.593 1.250 -34.734 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.518 -0.138 -34.445 1.00 0.00 H new ATOM 151 N TYR A 12 45.265 3.810 -34.983 1.00 0.00 N ATOM 152 CA TYR A 12 44.024 4.388 -35.483 1.00 0.00 C ATOM 153 C TYR A 12 44.227 4.964 -36.879 1.00 0.00 C ATOM 154 O TYR A 12 45.315 4.869 -37.445 1.00 0.00 O ATOM 155 CB TYR A 12 43.526 5.479 -34.534 1.00 0.00 C ATOM 156 CG TYR A 12 42.717 4.946 -33.373 1.00 0.00 C ATOM 157 CD1 TYR A 12 41.409 4.514 -33.554 1.00 0.00 C ATOM 158 CD2 TYR A 12 43.261 4.872 -32.096 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.666 4.024 -32.497 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.525 4.383 -31.034 1.00 0.00 C ATOM 161 CZ TYR A 12 41.228 3.961 -31.240 1.00 0.00 C ATOM 162 OH TYR A 12 40.492 3.473 -30.184 1.00 0.00 O ATOM 0 H TYR A 12 45.781 4.410 -34.340 1.00 0.00 H new ATOM 0 HA TYR A 12 43.275 3.598 -35.537 1.00 0.00 H new ATOM 0 HB2 TYR A 12 44.382 6.031 -34.147 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.917 6.188 -35.096 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.965 4.562 -34.538 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.276 5.202 -31.931 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.650 3.692 -32.655 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.963 4.331 -30.048 1.00 0.00 H new ATOM 0 HH TYR A 12 41.035 3.496 -29.369 1.00 0.00 H new ATOM 172 N SER A 13 43.177 5.562 -37.430 1.00 0.00 N ATOM 173 CA SER A 13 43.249 6.150 -38.761 1.00 0.00 C ATOM 174 C SER A 13 42.550 7.503 -38.801 1.00 0.00 C ATOM 175 O SER A 13 41.657 7.777 -38.000 1.00 0.00 O ATOM 176 CB SER A 13 42.627 5.206 -39.791 1.00 0.00 C ATOM 177 OG SER A 13 43.439 4.062 -39.991 1.00 0.00 O ATOM 0 H SER A 13 42.268 5.652 -36.976 1.00 0.00 H new ATOM 0 HA SER A 13 44.300 6.302 -39.007 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.637 4.899 -39.455 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.494 5.731 -40.737 1.00 0.00 H new ATOM 0 HG SER A 13 44.205 4.094 -39.381 1.00 0.00 H new ATOM 183 N VAL A 14 42.967 8.347 -39.740 1.00 0.00 N ATOM 184 CA VAL A 14 42.388 9.675 -39.884 1.00 0.00 C ATOM 185 C VAL A 14 40.884 9.604 -40.110 1.00 0.00 C ATOM 186 O VAL A 14 40.413 9.591 -41.247 1.00 0.00 O ATOM 187 CB VAL A 14 43.038 10.450 -41.046 1.00 0.00 C ATOM 188 CG1 VAL A 14 43.123 9.578 -42.290 1.00 0.00 C ATOM 189 CG2 VAL A 14 42.267 11.729 -41.334 1.00 0.00 C ATOM 0 H VAL A 14 43.704 8.133 -40.412 1.00 0.00 H new ATOM 0 HA VAL A 14 42.583 10.204 -38.951 1.00 0.00 H new ATOM 0 HB VAL A 14 44.052 10.723 -40.753 1.00 0.00 H new ATOM 0 HG11 VAL A 14 43.585 10.143 -43.100 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.724 8.695 -42.075 1.00 0.00 H new ATOM 0 HG13 VAL A 14 42.121 9.271 -42.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 42.742 12.262 -42.158 1.00 0.00 H new ATOM 0 HG22 VAL A 14 41.241 11.482 -41.605 1.00 0.00 H new ATOM 0 HG23 VAL A 14 42.265 12.361 -40.446 1.00 0.00 H new ATOM 199 N GLY A 15 40.135 9.561 -39.015 1.00 0.00 N ATOM 200 CA GLY A 15 38.688 9.495 -39.105 1.00 0.00 C ATOM 201 C GLY A 15 38.102 8.442 -38.187 1.00 0.00 C ATOM 202 O GLY A 15 36.951 8.544 -37.767 1.00 0.00 O ATOM 0 H GLY A 15 40.504 9.571 -38.064 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.266 10.468 -38.854 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.400 9.278 -40.134 1.00 0.00 H new ATOM 206 N MET A 16 38.903 7.429 -37.874 1.00 0.00 N ATOM 207 CA MET A 16 38.464 6.351 -36.998 1.00 0.00 C ATOM 208 C MET A 16 37.691 6.904 -35.805 1.00 0.00 C ATOM 209 O MET A 16 36.637 6.385 -35.443 1.00 0.00 O ATOM 210 CB MET A 16 39.671 5.547 -36.509 1.00 0.00 C ATOM 211 CG MET A 16 39.432 4.046 -36.470 1.00 0.00 C ATOM 212 SD MET A 16 40.594 3.132 -37.501 1.00 0.00 S ATOM 213 CE MET A 16 41.496 2.208 -36.260 1.00 0.00 C ATOM 0 H MET A 16 39.860 7.333 -38.214 1.00 0.00 H new ATOM 0 HA MET A 16 37.803 5.696 -37.565 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.521 5.754 -37.159 1.00 0.00 H new ATOM 0 HB3 MET A 16 39.943 5.888 -35.510 1.00 0.00 H new ATOM 0 HG2 MET A 16 39.512 3.696 -35.441 1.00 0.00 H new ATOM 0 HG3 MET A 16 38.415 3.835 -36.801 1.00 0.00 H new ATOM 0 HE1 MET A 16 42.549 2.156 -36.538 1.00 0.00 H new ATOM 0 HE2 MET A 16 41.400 2.705 -35.295 1.00 0.00 H new ATOM 0 HE3 MET A 16 41.089 1.199 -36.190 1.00 0.00 H new ATOM 223 N GLN A 17 38.227 7.960 -35.199 1.00 0.00 N ATOM 224 CA GLN A 17 37.592 8.583 -34.043 1.00 0.00 C ATOM 225 C GLN A 17 37.378 7.561 -32.934 1.00 0.00 C ATOM 226 O GLN A 17 36.701 6.551 -33.128 1.00 0.00 O ATOM 227 CB GLN A 17 36.259 9.217 -34.440 1.00 0.00 C ATOM 228 CG GLN A 17 36.264 10.735 -34.361 1.00 0.00 C ATOM 229 CD GLN A 17 35.102 11.283 -33.556 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.295 11.944 -32.536 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.885 11.010 -34.013 1.00 0.00 N ATOM 0 H GLN A 17 39.099 8.402 -35.490 1.00 0.00 H new ATOM 0 HA GLN A 17 38.253 9.366 -33.672 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.010 8.915 -35.457 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.474 8.830 -33.791 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.200 11.068 -33.913 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.229 11.147 -35.369 1.00 0.00 H new ATOM 0 HE21 GLN A 17 33.771 10.458 -34.863 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.064 11.352 -33.514 1.00 0.00 H new ATOM 240 N TRP A 18 37.969 7.821 -31.774 1.00 0.00 N ATOM 241 CA TRP A 18 37.850 6.912 -30.642 1.00 0.00 C ATOM 242 C TRP A 18 37.853 7.673 -29.320 1.00 0.00 C ATOM 243 O TRP A 18 37.689 8.893 -29.290 1.00 0.00 O ATOM 244 CB TRP A 18 39.002 5.909 -30.665 1.00 0.00 C ATOM 245 CG TRP A 18 40.341 6.563 -30.537 1.00 0.00 C ATOM 246 CD1 TRP A 18 41.067 6.724 -29.394 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.108 7.156 -31.591 1.00 0.00 C ATOM 248 NE1 TRP A 18 42.240 7.378 -29.671 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.291 7.655 -31.013 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.912 7.312 -32.967 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.272 8.299 -31.765 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.885 7.950 -33.710 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.052 8.437 -33.110 1.00 0.00 C ATOM 0 H TRP A 18 38.534 8.651 -31.593 1.00 0.00 H new ATOM 0 HA TRP A 18 36.900 6.383 -30.726 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.872 5.195 -29.852 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.967 5.343 -31.596 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.763 6.386 -28.414 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.959 7.620 -28.989 1.00 0.00 H new ATOM 0 HE3 TRP A 18 40.015 6.940 -33.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.173 8.676 -31.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.743 8.076 -34.773 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.794 8.931 -33.720 1.00 0.00 H new ATOM 264 N LEU A 19 38.046 6.942 -28.228 1.00 0.00 N ATOM 265 CA LEU A 19 38.071 7.543 -26.903 1.00 0.00 C ATOM 266 C LEU A 19 39.119 6.875 -26.024 1.00 0.00 C ATOM 267 O LEU A 19 39.027 5.685 -25.723 1.00 0.00 O ATOM 268 CB LEU A 19 36.695 7.441 -26.242 1.00 0.00 C ATOM 269 CG LEU A 19 36.601 8.058 -24.846 1.00 0.00 C ATOM 270 CD1 LEU A 19 36.098 9.491 -24.928 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.694 7.224 -23.955 1.00 0.00 C ATOM 0 H LEU A 19 38.187 5.932 -28.236 1.00 0.00 H new ATOM 0 HA LEU A 19 38.332 8.595 -27.016 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.962 7.926 -26.887 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.417 6.389 -26.177 1.00 0.00 H new ATOM 0 HG LEU A 19 37.599 8.069 -24.407 1.00 0.00 H new ATOM 0 HD11 LEU A 19 36.038 9.913 -23.925 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.786 10.084 -25.531 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.110 9.504 -25.387 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.639 7.678 -22.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.696 7.181 -24.391 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.096 6.215 -23.869 1.00 0.00 H new ATOM 283 N LYS A 20 40.116 7.649 -25.616 1.00 0.00 N ATOM 284 CA LYS A 20 41.186 7.131 -24.771 1.00 0.00 C ATOM 285 C LYS A 20 40.884 7.374 -23.294 1.00 0.00 C ATOM 286 O LYS A 20 40.270 8.379 -22.933 1.00 0.00 O ATOM 287 CB LYS A 20 42.518 7.777 -25.145 1.00 0.00 C ATOM 288 CG LYS A 20 42.683 9.183 -24.599 1.00 0.00 C ATOM 289 CD LYS A 20 44.004 9.795 -25.029 1.00 0.00 C ATOM 290 CE LYS A 20 44.968 9.916 -23.860 1.00 0.00 C ATOM 291 NZ LYS A 20 46.080 8.930 -23.952 1.00 0.00 N ATOM 0 H LYS A 20 40.207 8.636 -25.856 1.00 0.00 H new ATOM 0 HA LYS A 20 41.254 6.056 -24.935 1.00 0.00 H new ATOM 0 HB2 LYS A 20 43.332 7.154 -24.774 1.00 0.00 H new ATOM 0 HB3 LYS A 20 42.607 7.805 -26.231 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.861 9.808 -24.947 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.628 9.161 -23.511 1.00 0.00 H new ATOM 0 HD2 LYS A 20 44.453 9.182 -25.810 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.827 10.781 -25.459 1.00 0.00 H new ATOM 0 HE2 LYS A 20 45.379 10.925 -23.832 1.00 0.00 H new ATOM 0 HE3 LYS A 20 44.426 9.766 -22.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 46.715 9.046 -23.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.690 7.966 -23.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 46.613 9.089 -24.831 1.00 0.00 H new ATOM 379 N GLN A 26 38.921 10.273 -18.598 1.00 0.00 N ATOM 380 CA GLN A 26 38.293 9.997 -19.884 1.00 0.00 C ATOM 381 C GLN A 26 38.644 11.081 -20.897 1.00 0.00 C ATOM 382 O GLN A 26 38.502 12.272 -20.620 1.00 0.00 O ATOM 383 CB GLN A 26 36.774 9.899 -19.725 1.00 0.00 C ATOM 384 CG GLN A 26 36.278 8.481 -19.494 1.00 0.00 C ATOM 385 CD GLN A 26 34.768 8.370 -19.576 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.197 8.308 -20.664 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.113 8.344 -18.421 1.00 0.00 N ATOM 0 HA GLN A 26 38.671 9.043 -20.251 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.463 10.525 -18.888 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.297 10.301 -20.618 1.00 0.00 H new ATOM 0 HG2 GLN A 26 36.728 7.818 -20.233 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.611 8.139 -18.514 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.627 8.398 -17.542 1.00 0.00 H new ATOM 0 HE22 GLN A 26 33.096 8.270 -18.413 1.00 0.00 H new ATOM 396 N MET A 27 39.111 10.663 -22.069 1.00 0.00 N ATOM 397 CA MET A 27 39.488 11.602 -23.119 1.00 0.00 C ATOM 398 C MET A 27 39.169 11.039 -24.499 1.00 0.00 C ATOM 399 O MET A 27 39.530 9.906 -24.816 1.00 0.00 O ATOM 400 CB MET A 27 40.982 11.924 -23.023 1.00 0.00 C ATOM 401 CG MET A 27 41.294 13.409 -23.118 1.00 0.00 C ATOM 402 SD MET A 27 42.664 13.763 -24.234 1.00 0.00 S ATOM 403 CE MET A 27 43.117 15.411 -23.700 1.00 0.00 C ATOM 0 H MET A 27 39.237 9.681 -22.315 1.00 0.00 H new ATOM 0 HA MET A 27 38.910 12.516 -22.979 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.367 11.540 -22.078 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.510 11.399 -23.819 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.406 13.941 -23.459 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.532 13.790 -22.125 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.955 15.770 -24.298 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.267 16.081 -23.827 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.406 15.386 -22.649 1.00 0.00 H new ATOM 413 N LEU A 28 38.500 11.842 -25.322 1.00 0.00 N ATOM 414 CA LEU A 28 38.147 11.421 -26.672 1.00 0.00 C ATOM 415 C LEU A 28 39.241 11.821 -27.654 1.00 0.00 C ATOM 416 O LEU A 28 39.571 13.001 -27.777 1.00 0.00 O ATOM 417 CB LEU A 28 36.812 12.030 -27.099 1.00 0.00 C ATOM 418 CG LEU A 28 36.235 11.456 -28.393 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.336 10.266 -28.096 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.468 12.525 -29.156 1.00 0.00 C ATOM 0 H LEU A 28 38.193 12.784 -25.078 1.00 0.00 H new ATOM 0 HA LEU A 28 38.048 10.336 -26.675 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.088 11.883 -26.298 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.940 13.106 -27.220 1.00 0.00 H new ATOM 0 HG LEU A 28 37.062 11.115 -29.015 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.935 9.871 -29.029 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.913 9.491 -27.592 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.515 10.582 -27.453 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.065 12.098 -30.074 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.650 12.896 -28.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.139 13.348 -29.403 1.00 0.00 H new ATOM 432 N CYS A 29 39.810 10.836 -28.344 1.00 0.00 N ATOM 433 CA CYS A 29 40.882 11.099 -29.300 1.00 0.00 C ATOM 434 C CYS A 29 40.393 10.984 -30.739 1.00 0.00 C ATOM 435 O CYS A 29 39.411 10.297 -31.025 1.00 0.00 O ATOM 436 CB CYS A 29 42.044 10.130 -29.071 1.00 0.00 C ATOM 437 SG CYS A 29 43.349 10.770 -27.969 1.00 0.00 S ATOM 0 H CYS A 29 39.549 9.854 -28.260 1.00 0.00 H new ATOM 0 HA CYS A 29 41.222 12.122 -29.139 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.652 9.204 -28.651 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.489 9.880 -30.034 1.00 0.00 H new ATOM 442 N THR A 30 41.094 11.664 -31.643 1.00 0.00 N ATOM 443 CA THR A 30 40.747 11.643 -33.061 1.00 0.00 C ATOM 444 C THR A 30 41.987 11.798 -33.934 1.00 0.00 C ATOM 445 O THR A 30 42.927 12.507 -33.575 1.00 0.00 O ATOM 446 CB THR A 30 39.756 12.765 -33.422 1.00 0.00 C ATOM 447 OG1 THR A 30 38.523 12.578 -32.717 1.00 0.00 O ATOM 448 CG2 THR A 30 39.493 12.790 -34.923 1.00 0.00 C ATOM 0 H THR A 30 41.907 12.237 -31.418 1.00 0.00 H new ATOM 0 HA THR A 30 40.280 10.676 -33.249 1.00 0.00 H new ATOM 0 HB THR A 30 40.197 13.718 -33.130 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.900 13.297 -32.952 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.790 13.590 -35.156 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.429 12.963 -35.454 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.071 11.834 -35.234 1.00 0.00 H new ATOM 456 N CYS A 31 41.975 11.143 -35.090 1.00 0.00 N ATOM 457 CA CYS A 31 43.092 11.224 -36.021 1.00 0.00 C ATOM 458 C CYS A 31 42.759 12.180 -37.159 1.00 0.00 C ATOM 459 O CYS A 31 41.888 11.906 -37.984 1.00 0.00 O ATOM 460 CB CYS A 31 43.436 9.836 -36.572 1.00 0.00 C ATOM 461 SG CYS A 31 44.749 9.830 -37.841 1.00 0.00 S ATOM 0 H CYS A 31 41.205 10.552 -35.403 1.00 0.00 H new ATOM 0 HA CYS A 31 43.962 11.605 -35.487 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.745 9.197 -35.745 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.535 9.394 -36.997 1.00 0.00 H new ATOM 466 N LEU A 32 43.449 13.314 -37.187 1.00 0.00 N ATOM 467 CA LEU A 32 43.220 14.321 -38.215 1.00 0.00 C ATOM 468 C LEU A 32 44.080 14.052 -39.444 1.00 0.00 C ATOM 469 O LEU A 32 43.608 14.138 -40.578 1.00 0.00 O ATOM 470 CB LEU A 32 43.516 15.719 -37.670 1.00 0.00 C ATOM 471 CG LEU A 32 44.546 15.773 -36.541 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.372 17.044 -36.630 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.856 15.674 -35.187 1.00 0.00 C ATOM 0 H LEU A 32 44.171 13.559 -36.510 1.00 0.00 H new ATOM 0 HA LEU A 32 42.171 14.268 -38.508 1.00 0.00 H new ATOM 0 HB2 LEU A 32 43.867 16.345 -38.491 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.584 16.157 -37.311 1.00 0.00 H new ATOM 0 HG LEU A 32 45.219 14.922 -36.647 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.099 17.063 -35.818 1.00 0.00 H new ATOM 0 HD12 LEU A 32 45.895 17.072 -37.586 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.716 17.911 -36.550 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.603 15.714 -34.394 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.160 16.505 -35.072 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.311 14.732 -35.125 1.00 0.00 H new ATOM 485 N GLY A 33 45.345 13.726 -39.210 1.00 0.00 N ATOM 486 CA GLY A 33 46.256 13.451 -40.304 1.00 0.00 C ATOM 487 C GLY A 33 47.684 13.844 -39.981 1.00 0.00 C ATOM 488 O GLY A 33 48.630 13.279 -40.530 1.00 0.00 O ATOM 0 H GLY A 33 45.757 13.647 -38.280 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.220 12.388 -40.544 1.00 0.00 H new ATOM 0 HA3 GLY A 33 45.926 13.990 -41.192 1.00 0.00 H new ATOM 492 N ASN A 34 47.840 14.814 -39.086 1.00 0.00 N ATOM 493 CA ASN A 34 49.163 15.281 -38.691 1.00 0.00 C ATOM 494 C ASN A 34 49.607 14.617 -37.389 1.00 0.00 C ATOM 495 O ASN A 34 50.802 14.470 -37.133 1.00 0.00 O ATOM 496 CB ASN A 34 49.169 16.807 -38.544 1.00 0.00 C ATOM 497 CG ASN A 34 48.776 17.269 -37.153 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.076 16.567 -36.426 1.00 0.00 O ATOM 499 ND2 ASN A 34 49.224 18.462 -36.778 1.00 0.00 N ATOM 0 H ASN A 34 47.067 15.291 -38.621 1.00 0.00 H new ATOM 0 HA ASN A 34 49.870 15.004 -39.472 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.164 17.185 -38.779 1.00 0.00 H new ATOM 0 HB3 ASN A 34 48.483 17.240 -39.272 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.989 18.828 -35.855 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.803 19.012 -37.413 1.00 0.00 H new ATOM 506 N GLY A 35 48.638 14.219 -36.569 1.00 0.00 N ATOM 507 CA GLY A 35 48.954 13.579 -35.306 1.00 0.00 C ATOM 508 C GLY A 35 47.744 12.941 -34.650 1.00 0.00 C ATOM 509 O GLY A 35 47.630 11.717 -34.607 1.00 0.00 O ATOM 0 H GLY A 35 47.641 14.328 -36.757 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.716 12.817 -35.471 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.382 14.317 -34.628 1.00 0.00 H new ATOM 513 N VAL A 36 46.845 13.781 -34.140 1.00 0.00 N ATOM 514 CA VAL A 36 45.627 13.325 -33.474 1.00 0.00 C ATOM 515 C VAL A 36 45.179 14.341 -32.424 1.00 0.00 C ATOM 516 O VAL A 36 45.955 14.732 -31.553 1.00 0.00 O ATOM 517 CB VAL A 36 45.818 11.928 -32.828 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.071 11.796 -31.504 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.369 10.857 -33.798 1.00 0.00 C ATOM 0 H VAL A 36 46.941 14.796 -34.177 1.00 0.00 H new ATOM 0 HA VAL A 36 44.850 13.236 -34.233 1.00 0.00 H new ATOM 0 HB VAL A 36 46.878 11.804 -32.607 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.236 10.801 -31.091 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.438 12.545 -30.803 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.005 11.948 -31.671 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.503 9.875 -33.344 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.316 11.004 -34.040 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.963 10.919 -34.710 1.00 0.00 H new ATOM 529 N SER A 37 43.923 14.762 -32.519 1.00 0.00 N ATOM 530 CA SER A 37 43.370 15.732 -31.582 1.00 0.00 C ATOM 531 C SER A 37 42.353 15.076 -30.654 1.00 0.00 C ATOM 532 O SER A 37 41.431 14.400 -31.107 1.00 0.00 O ATOM 533 CB SER A 37 42.714 16.888 -32.341 1.00 0.00 C ATOM 534 OG SER A 37 42.122 17.814 -31.446 1.00 0.00 O ATOM 0 H SER A 37 43.269 14.447 -33.235 1.00 0.00 H new ATOM 0 HA SER A 37 44.188 16.121 -30.976 1.00 0.00 H new ATOM 0 HB2 SER A 37 43.460 17.395 -32.953 1.00 0.00 H new ATOM 0 HB3 SER A 37 41.956 16.498 -33.020 1.00 0.00 H new ATOM 0 HG SER A 37 41.711 18.544 -31.955 1.00 0.00 H new ATOM 540 N CYS A 38 42.527 15.285 -29.353 1.00 0.00 N ATOM 541 CA CYS A 38 41.623 14.717 -28.361 1.00 0.00 C ATOM 542 C CYS A 38 41.135 15.794 -27.395 1.00 0.00 C ATOM 543 O CYS A 38 41.712 16.879 -27.320 1.00 0.00 O ATOM 544 CB CYS A 38 42.320 13.594 -27.591 1.00 0.00 C ATOM 545 SG CYS A 38 43.583 12.701 -28.550 1.00 0.00 S ATOM 0 H CYS A 38 43.286 15.843 -28.962 1.00 0.00 H new ATOM 0 HA CYS A 38 40.759 14.304 -28.881 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.787 14.015 -26.701 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.568 12.882 -27.250 1.00 0.00 H new ATOM 550 N GLN A 39 40.067 15.492 -26.663 1.00 0.00 N ATOM 551 CA GLN A 39 39.504 16.444 -25.710 1.00 0.00 C ATOM 552 C GLN A 39 39.269 15.793 -24.350 1.00 0.00 C ATOM 553 O GLN A 39 38.644 14.737 -24.253 1.00 0.00 O ATOM 554 CB GLN A 39 38.188 17.013 -26.243 1.00 0.00 C ATOM 555 CG GLN A 39 38.060 16.935 -27.755 1.00 0.00 C ATOM 556 CD GLN A 39 37.479 18.200 -28.354 1.00 0.00 C ATOM 557 OE1 GLN A 39 36.414 18.177 -28.971 1.00 0.00 O ATOM 558 NE2 GLN A 39 38.178 19.315 -28.174 1.00 0.00 N ATOM 0 H GLN A 39 39.575 14.600 -26.711 1.00 0.00 H new ATOM 0 HA GLN A 39 40.224 17.253 -25.584 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.358 16.473 -25.788 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.100 18.054 -25.932 1.00 0.00 H new ATOM 0 HG2 GLN A 39 39.042 16.748 -28.190 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.427 16.088 -28.020 1.00 0.00 H new ATOM 0 HE21 GLN A 39 39.056 19.288 -27.656 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.837 20.198 -28.554 1.00 0.00 H new ATOM 636 N GLN A 45 30.817 24.706 -23.379 1.00 0.00 N ATOM 637 CA GLN A 45 29.520 25.328 -23.137 1.00 0.00 C ATOM 638 C GLN A 45 28.650 25.278 -24.390 1.00 0.00 C ATOM 639 O GLN A 45 28.803 24.389 -25.226 1.00 0.00 O ATOM 640 CB GLN A 45 29.705 26.779 -22.690 1.00 0.00 C ATOM 641 CG GLN A 45 30.771 26.957 -21.620 1.00 0.00 C ATOM 642 CD GLN A 45 30.437 28.067 -20.642 1.00 0.00 C ATOM 643 OE1 GLN A 45 30.548 29.249 -20.966 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.028 27.691 -19.436 1.00 0.00 N ATOM 0 HA GLN A 45 29.019 24.770 -22.346 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.967 27.386 -23.556 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.756 27.157 -22.311 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.892 26.021 -21.074 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.727 27.174 -22.097 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.950 26.699 -19.210 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.791 28.394 -18.736 1.00 0.00 H new ATOM 653 N THR A 46 27.737 26.238 -24.511 1.00 0.00 N ATOM 654 CA THR A 46 26.843 26.306 -25.661 1.00 0.00 C ATOM 655 C THR A 46 26.434 27.748 -25.945 1.00 0.00 C ATOM 656 O THR A 46 26.624 28.631 -25.108 1.00 0.00 O ATOM 657 CB THR A 46 25.577 25.459 -25.439 1.00 0.00 C ATOM 658 OG1 THR A 46 24.882 25.910 -24.270 1.00 0.00 O ATOM 659 CG2 THR A 46 25.928 23.987 -25.288 1.00 0.00 C ATOM 0 H THR A 46 27.598 26.980 -23.825 1.00 0.00 H new ATOM 0 HA THR A 46 27.390 25.907 -26.516 1.00 0.00 H new ATOM 0 HB THR A 46 24.934 25.575 -26.311 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.077 25.367 -24.138 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.017 23.410 -25.132 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.429 23.638 -26.191 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.591 23.857 -24.432 1.00 0.00 H new ATOM 667 N TYR A 47 25.868 27.984 -27.125 1.00 0.00 N ATOM 668 CA TYR A 47 25.437 29.326 -27.500 1.00 0.00 C ATOM 669 C TYR A 47 24.788 29.352 -28.882 1.00 0.00 C ATOM 670 O TYR A 47 25.430 29.071 -29.894 1.00 0.00 O ATOM 671 CB TYR A 47 26.616 30.302 -27.455 1.00 0.00 C ATOM 672 CG TYR A 47 27.813 29.894 -28.294 1.00 0.00 C ATOM 673 CD1 TYR A 47 27.827 28.707 -29.022 1.00 0.00 C ATOM 674 CD2 TYR A 47 28.936 30.709 -28.356 1.00 0.00 C ATOM 675 CE1 TYR A 47 28.926 28.350 -29.784 1.00 0.00 C ATOM 676 CE2 TYR A 47 30.036 30.359 -29.116 1.00 0.00 C ATOM 677 CZ TYR A 47 30.025 29.179 -29.827 1.00 0.00 C ATOM 678 OH TYR A 47 31.119 28.827 -30.584 1.00 0.00 O ATOM 0 H TYR A 47 25.698 27.269 -27.833 1.00 0.00 H new ATOM 0 HA TYR A 47 24.686 29.638 -26.774 1.00 0.00 H new ATOM 0 HB2 TYR A 47 26.272 31.281 -27.790 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.937 30.414 -26.419 1.00 0.00 H new ATOM 0 HD1 TYR A 47 26.967 28.055 -28.992 1.00 0.00 H new ATOM 0 HD2 TYR A 47 28.950 31.634 -27.799 1.00 0.00 H new ATOM 0 HE1 TYR A 47 28.922 27.426 -30.342 1.00 0.00 H new ATOM 0 HE2 TYR A 47 30.899 31.007 -29.152 1.00 0.00 H new ATOM 0 HH TYR A 47 31.366 27.899 -30.390 1.00 0.00 H new ATOM 688 N GLY A 48 23.508 29.705 -28.915 1.00 0.00 N ATOM 689 CA GLY A 48 22.789 29.776 -30.173 1.00 0.00 C ATOM 690 C GLY A 48 22.337 28.415 -30.666 1.00 0.00 C ATOM 691 O GLY A 48 21.644 27.687 -29.954 1.00 0.00 O ATOM 0 H GLY A 48 22.955 29.944 -28.092 1.00 0.00 H new ATOM 0 HA2 GLY A 48 21.919 30.422 -30.054 1.00 0.00 H new ATOM 0 HA3 GLY A 48 23.428 30.237 -30.926 1.00 0.00 H new ATOM 695 N GLY A 49 22.727 28.075 -31.889 1.00 0.00 N ATOM 696 CA GLY A 49 22.346 26.797 -32.460 1.00 0.00 C ATOM 697 C GLY A 49 20.855 26.704 -32.718 1.00 0.00 C ATOM 698 O GLY A 49 20.195 27.718 -32.946 1.00 0.00 O ATOM 0 H GLY A 49 23.300 28.662 -32.495 1.00 0.00 H new ATOM 0 HA2 GLY A 49 22.885 26.644 -33.395 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.646 25.996 -31.785 1.00 0.00 H new ATOM 702 N ASN A 50 20.323 25.488 -32.681 1.00 0.00 N ATOM 703 CA ASN A 50 18.899 25.272 -32.909 1.00 0.00 C ATOM 704 C ASN A 50 18.120 25.395 -31.605 1.00 0.00 C ATOM 705 O ASN A 50 16.911 25.628 -31.611 1.00 0.00 O ATOM 706 CB ASN A 50 18.662 23.897 -33.534 1.00 0.00 C ATOM 707 CG ASN A 50 17.823 23.972 -34.794 1.00 0.00 C ATOM 708 OD1 ASN A 50 18.224 23.487 -35.852 1.00 0.00 O ATOM 709 ND2 ASN A 50 16.649 24.584 -34.687 1.00 0.00 N ATOM 0 H ASN A 50 20.855 24.638 -32.496 1.00 0.00 H new ATOM 0 HA ASN A 50 18.544 26.038 -33.598 1.00 0.00 H new ATOM 0 HB2 ASN A 50 19.622 23.436 -33.767 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.166 23.252 -32.809 1.00 0.00 H new ATOM 0 HD21 ASN A 50 16.041 24.666 -35.502 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.356 24.972 -33.790 1.00 0.00 H new ATOM 716 N SER A 51 18.823 25.240 -30.487 1.00 0.00 N ATOM 717 CA SER A 51 18.199 25.336 -29.173 1.00 0.00 C ATOM 718 C SER A 51 18.668 26.589 -28.440 1.00 0.00 C ATOM 719 O SER A 51 18.553 26.687 -27.218 1.00 0.00 O ATOM 720 CB SER A 51 18.520 24.094 -28.339 1.00 0.00 C ATOM 721 OG SER A 51 17.458 23.790 -27.450 1.00 0.00 O ATOM 0 H SER A 51 19.824 25.048 -30.465 1.00 0.00 H new ATOM 0 HA SER A 51 17.120 25.400 -29.315 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.701 23.245 -28.999 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.437 24.259 -27.773 1.00 0.00 H new ATOM 0 HG SER A 51 17.009 22.970 -27.745 1.00 0.00 H new ATOM 727 N ASN A 52 19.195 27.546 -29.196 1.00 0.00 N ATOM 728 CA ASN A 52 19.682 28.796 -28.625 1.00 0.00 C ATOM 729 C ASN A 52 20.636 28.537 -27.463 1.00 0.00 C ATOM 730 O ASN A 52 20.862 29.413 -26.628 1.00 0.00 O ATOM 731 CB ASN A 52 18.505 29.653 -28.156 1.00 0.00 C ATOM 732 CG ASN A 52 18.945 31.018 -27.665 1.00 0.00 C ATOM 733 OD1 ASN A 52 19.936 31.573 -28.140 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.207 31.569 -26.708 1.00 0.00 N ATOM 0 H ASN A 52 19.296 27.479 -30.209 1.00 0.00 H new ATOM 0 HA ASN A 52 20.230 29.331 -29.401 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.798 29.775 -28.977 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.977 29.134 -27.356 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.454 32.487 -26.338 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.393 31.074 -26.343 1.00 0.00 H new ATOM 741 N GLY A 53 21.196 27.332 -27.417 1.00 0.00 N ATOM 742 CA GLY A 53 22.124 26.987 -26.355 1.00 0.00 C ATOM 743 C GLY A 53 21.473 26.181 -25.247 1.00 0.00 C ATOM 744 O GLY A 53 21.315 26.668 -24.127 1.00 0.00 O ATOM 0 H GLY A 53 21.024 26.589 -28.095 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.953 26.417 -26.774 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.545 27.901 -25.935 1.00 0.00 H new ATOM 748 N GLU A 54 21.098 24.944 -25.557 1.00 0.00 N ATOM 749 CA GLU A 54 20.465 24.070 -24.577 1.00 0.00 C ATOM 750 C GLU A 54 21.268 22.788 -24.387 1.00 0.00 C ATOM 751 O GLU A 54 22.162 22.479 -25.175 1.00 0.00 O ATOM 752 CB GLU A 54 19.040 23.733 -25.012 1.00 0.00 C ATOM 753 CG GLU A 54 18.046 24.834 -24.701 1.00 0.00 C ATOM 754 CD GLU A 54 17.101 24.466 -23.573 1.00 0.00 C ATOM 755 OE1 GLU A 54 16.346 23.483 -23.728 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.118 25.159 -22.534 1.00 0.00 O ATOM 0 H GLU A 54 21.222 24.525 -26.479 1.00 0.00 H new ATOM 0 HA GLU A 54 20.433 24.599 -23.624 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.031 23.536 -26.084 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.723 22.815 -24.517 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.587 25.742 -24.435 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.467 25.059 -25.596 1.00 0.00 H new ATOM 763 N PRO A 55 20.952 22.023 -23.332 1.00 0.00 N ATOM 764 CA PRO A 55 21.643 20.764 -23.033 1.00 0.00 C ATOM 765 C PRO A 55 21.704 19.840 -24.245 1.00 0.00 C ATOM 766 O PRO A 55 20.861 19.918 -25.140 1.00 0.00 O ATOM 767 CB PRO A 55 20.784 20.142 -21.930 1.00 0.00 C ATOM 768 CG PRO A 55 20.110 21.298 -21.274 1.00 0.00 C ATOM 769 CD PRO A 55 19.896 22.325 -22.352 1.00 0.00 C ATOM 0 HA PRO A 55 22.681 20.925 -22.743 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.057 19.442 -22.342 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.395 19.585 -21.220 1.00 0.00 H new ATOM 0 HG2 PRO A 55 19.161 20.995 -20.831 1.00 0.00 H new ATOM 0 HG3 PRO A 55 20.724 21.701 -20.469 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.903 22.242 -22.794 1.00 0.00 H new ATOM 0 HD3 PRO A 55 19.988 23.339 -21.963 1.00 0.00 H new ATOM 777 N CYS A 56 22.705 18.967 -24.272 1.00 0.00 N ATOM 778 CA CYS A 56 22.870 18.031 -25.378 1.00 0.00 C ATOM 779 C CYS A 56 22.254 16.675 -25.045 1.00 0.00 C ATOM 780 O CYS A 56 21.659 16.496 -23.983 1.00 0.00 O ATOM 781 CB CYS A 56 24.350 17.873 -25.728 1.00 0.00 C ATOM 782 SG CYS A 56 25.255 19.449 -25.870 1.00 0.00 S ATOM 0 H CYS A 56 23.413 18.888 -23.542 1.00 0.00 H new ATOM 0 HA CYS A 56 22.347 18.436 -26.244 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.829 17.259 -24.965 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.433 17.333 -26.671 1.00 0.00 H new ATOM 787 N VAL A 57 22.391 15.728 -25.967 1.00 0.00 N ATOM 788 CA VAL A 57 21.837 14.392 -25.782 1.00 0.00 C ATOM 789 C VAL A 57 22.776 13.323 -26.322 1.00 0.00 C ATOM 790 O VAL A 57 22.413 12.562 -27.219 1.00 0.00 O ATOM 791 CB VAL A 57 20.481 14.251 -26.494 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.666 14.327 -28.000 1.00 0.00 C ATOM 793 CG2 VAL A 57 19.804 12.947 -26.101 1.00 0.00 C ATOM 0 H VAL A 57 22.882 15.861 -26.851 1.00 0.00 H new ATOM 0 HA VAL A 57 21.706 14.253 -24.709 1.00 0.00 H new ATOM 0 HB VAL A 57 19.838 15.075 -26.183 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.698 14.226 -28.491 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.108 15.288 -28.264 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.325 13.522 -28.327 1.00 0.00 H new ATOM 0 HG21 VAL A 57 18.846 12.865 -26.615 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.440 12.108 -26.383 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.640 12.932 -25.023 1.00 0.00 H new ATOM 803 N LEU A 58 23.983 13.266 -25.777 1.00 0.00 N ATOM 804 CA LEU A 58 24.963 12.282 -26.217 1.00 0.00 C ATOM 805 C LEU A 58 25.143 11.182 -25.178 1.00 0.00 C ATOM 806 O LEU A 58 24.703 11.310 -24.035 1.00 0.00 O ATOM 807 CB LEU A 58 26.311 12.948 -26.510 1.00 0.00 C ATOM 808 CG LEU A 58 26.519 14.322 -25.873 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.516 15.323 -26.421 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.416 14.227 -24.358 1.00 0.00 C ATOM 0 H LEU A 58 24.306 13.885 -25.034 1.00 0.00 H new ATOM 0 HA LEU A 58 24.586 11.832 -27.135 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.106 12.285 -26.169 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.420 13.047 -27.590 1.00 0.00 H new ATOM 0 HG LEU A 58 27.520 14.672 -26.126 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.680 16.295 -25.955 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.643 15.412 -27.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.504 14.982 -26.201 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.567 15.214 -23.920 1.00 0.00 H new ATOM 0 HD22 LEU A 58 25.429 13.855 -24.083 1.00 0.00 H new ATOM 0 HD23 LEU A 58 27.179 13.544 -23.984 1.00 0.00 H new ATOM 822 N PRO A 59 25.797 10.081 -25.572 1.00 0.00 N ATOM 823 CA PRO A 59 26.325 9.917 -26.927 1.00 0.00 C ATOM 824 C PRO A 59 25.219 9.768 -27.964 1.00 0.00 C ATOM 825 O PRO A 59 24.261 9.023 -27.761 1.00 0.00 O ATOM 826 CB PRO A 59 27.148 8.625 -26.857 1.00 0.00 C ATOM 827 CG PRO A 59 27.272 8.300 -25.403 1.00 0.00 C ATOM 828 CD PRO A 59 26.076 8.913 -24.731 1.00 0.00 C ATOM 0 HA PRO A 59 26.904 10.788 -27.233 1.00 0.00 H new ATOM 0 HB2 PRO A 59 26.655 7.817 -27.398 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.129 8.761 -27.312 1.00 0.00 H new ATOM 0 HG2 PRO A 59 27.296 7.222 -25.246 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.198 8.703 -24.992 1.00 0.00 H new ATOM 0 HD2 PRO A 59 25.231 8.225 -24.701 1.00 0.00 H new ATOM 0 HD3 PRO A 59 26.292 9.198 -23.701 1.00 0.00 H new ATOM 836 N PHE A 60 25.363 10.474 -29.077 1.00 0.00 N ATOM 837 CA PHE A 60 24.377 10.408 -30.152 1.00 0.00 C ATOM 838 C PHE A 60 25.014 9.862 -31.425 1.00 0.00 C ATOM 839 O PHE A 60 26.211 9.584 -31.457 1.00 0.00 O ATOM 840 CB PHE A 60 23.774 11.788 -30.418 1.00 0.00 C ATOM 841 CG PHE A 60 24.795 12.882 -30.503 1.00 0.00 C ATOM 842 CD1 PHE A 60 25.607 13.001 -31.618 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.941 13.791 -29.469 1.00 0.00 C ATOM 844 CE1 PHE A 60 26.549 14.008 -31.699 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.881 14.799 -29.545 1.00 0.00 C ATOM 846 CZ PHE A 60 26.685 14.906 -30.661 1.00 0.00 C ATOM 0 H PHE A 60 26.149 11.097 -29.261 1.00 0.00 H new ATOM 0 HA PHE A 60 23.579 9.735 -29.840 1.00 0.00 H new ATOM 0 HB2 PHE A 60 23.210 11.755 -31.350 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.065 12.025 -29.625 1.00 0.00 H new ATOM 0 HD1 PHE A 60 25.503 12.300 -32.433 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.313 13.711 -28.594 1.00 0.00 H new ATOM 0 HE1 PHE A 60 27.178 14.092 -32.573 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.987 15.503 -28.732 1.00 0.00 H new ATOM 0 HZ PHE A 60 27.421 15.694 -30.722 1.00 0.00 H new ATOM 856 N THR A 61 24.212 9.711 -32.473 1.00 0.00 N ATOM 857 CA THR A 61 24.712 9.198 -33.741 1.00 0.00 C ATOM 858 C THR A 61 24.505 10.206 -34.863 1.00 0.00 C ATOM 859 O THR A 61 23.393 10.687 -35.083 1.00 0.00 O ATOM 860 CB THR A 61 24.024 7.874 -34.122 1.00 0.00 C ATOM 861 OG1 THR A 61 23.195 7.424 -33.044 1.00 0.00 O ATOM 862 CG2 THR A 61 25.055 6.805 -34.452 1.00 0.00 C ATOM 0 H THR A 61 23.217 9.936 -32.469 1.00 0.00 H new ATOM 0 HA THR A 61 25.779 9.020 -33.610 1.00 0.00 H new ATOM 0 HB THR A 61 23.409 8.051 -35.004 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.760 6.583 -33.295 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.546 5.879 -34.718 1.00 0.00 H new ATOM 0 HG22 THR A 61 25.667 7.137 -35.291 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.691 6.633 -33.584 1.00 0.00 H new ATOM 870 N TYR A 62 25.582 10.522 -35.571 1.00 0.00 N ATOM 871 CA TYR A 62 25.518 11.474 -36.672 1.00 0.00 C ATOM 872 C TYR A 62 26.395 11.023 -37.836 1.00 0.00 C ATOM 873 O TYR A 62 27.583 10.755 -37.663 1.00 0.00 O ATOM 874 CB TYR A 62 25.951 12.862 -36.206 1.00 0.00 C ATOM 875 CG TYR A 62 25.842 13.913 -37.284 1.00 0.00 C ATOM 876 CD1 TYR A 62 24.635 14.549 -37.539 1.00 0.00 C ATOM 877 CD2 TYR A 62 26.944 14.263 -38.053 1.00 0.00 C ATOM 878 CE1 TYR A 62 24.528 15.506 -38.529 1.00 0.00 C ATOM 879 CE2 TYR A 62 26.846 15.220 -39.045 1.00 0.00 C ATOM 880 CZ TYR A 62 25.637 15.838 -39.279 1.00 0.00 C ATOM 881 OH TYR A 62 25.533 16.789 -40.269 1.00 0.00 O ATOM 0 H TYR A 62 26.510 10.133 -35.402 1.00 0.00 H new ATOM 0 HA TYR A 62 24.484 11.520 -37.013 1.00 0.00 H new ATOM 0 HB2 TYR A 62 25.339 13.159 -35.355 1.00 0.00 H new ATOM 0 HB3 TYR A 62 26.982 12.815 -35.856 1.00 0.00 H new ATOM 0 HD1 TYR A 62 23.765 14.291 -36.953 1.00 0.00 H new ATOM 0 HD2 TYR A 62 27.893 13.780 -37.873 1.00 0.00 H new ATOM 0 HE1 TYR A 62 23.581 15.992 -38.715 1.00 0.00 H new ATOM 0 HE2 TYR A 62 27.713 15.482 -39.634 1.00 0.00 H new ATOM 0 HH TYR A 62 24.840 17.438 -40.027 1.00 0.00 H new ATOM 891 N ASN A 63 25.802 10.944 -39.022 1.00 0.00 N ATOM 892 CA ASN A 63 26.532 10.527 -40.214 1.00 0.00 C ATOM 893 C ASN A 63 26.883 9.043 -40.152 1.00 0.00 C ATOM 894 O ASN A 63 27.571 8.522 -41.029 1.00 0.00 O ATOM 895 CB ASN A 63 27.805 11.358 -40.375 1.00 0.00 C ATOM 896 CG ASN A 63 28.081 11.719 -41.820 1.00 0.00 C ATOM 897 OD1 ASN A 63 28.823 11.025 -42.516 1.00 0.00 O ATOM 898 ND2 ASN A 63 27.483 12.812 -42.282 1.00 0.00 N ATOM 0 H ASN A 63 24.819 11.163 -39.184 1.00 0.00 H new ATOM 0 HA ASN A 63 25.887 10.691 -41.077 1.00 0.00 H new ATOM 0 HB2 ASN A 63 27.716 12.271 -39.786 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.652 10.801 -39.974 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.631 13.105 -43.248 1.00 0.00 H new ATOM 0 HD22 ASN A 63 26.876 13.358 -41.671 1.00 0.00 H new ATOM 905 N GLY A 64 26.404 8.367 -39.112 1.00 0.00 N ATOM 906 CA GLY A 64 26.680 6.950 -38.962 1.00 0.00 C ATOM 907 C GLY A 64 27.629 6.655 -37.818 1.00 0.00 C ATOM 908 O GLY A 64 27.831 5.495 -37.454 1.00 0.00 O ATOM 0 H GLY A 64 25.831 8.774 -38.373 1.00 0.00 H new ATOM 0 HA2 GLY A 64 25.743 6.417 -38.798 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.106 6.567 -39.889 1.00 0.00 H new ATOM 912 N ARG A 65 28.215 7.702 -37.246 1.00 0.00 N ATOM 913 CA ARG A 65 29.149 7.540 -36.137 1.00 0.00 C ATOM 914 C ARG A 65 28.511 7.968 -34.821 1.00 0.00 C ATOM 915 O ARG A 65 27.287 8.051 -34.712 1.00 0.00 O ATOM 916 CB ARG A 65 30.426 8.345 -36.387 1.00 0.00 C ATOM 917 CG ARG A 65 30.251 9.842 -36.193 1.00 0.00 C ATOM 918 CD ARG A 65 31.409 10.619 -36.800 1.00 0.00 C ATOM 919 NE ARG A 65 31.052 11.220 -38.082 1.00 0.00 N ATOM 920 CZ ARG A 65 31.938 11.752 -38.919 1.00 0.00 C ATOM 921 NH1 ARG A 65 33.227 11.756 -38.607 1.00 0.00 N ATOM 922 NH2 ARG A 65 31.535 12.279 -40.066 1.00 0.00 N ATOM 0 H ARG A 65 28.060 8.669 -37.531 1.00 0.00 H new ATOM 0 HA ARG A 65 29.407 6.483 -36.068 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.207 7.989 -35.715 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.770 8.157 -37.404 1.00 0.00 H new ATOM 0 HG2 ARG A 65 29.316 10.163 -36.651 1.00 0.00 H new ATOM 0 HG3 ARG A 65 30.178 10.067 -35.129 1.00 0.00 H new ATOM 0 HD2 ARG A 65 31.723 11.400 -36.108 1.00 0.00 H new ATOM 0 HD3 ARG A 65 32.261 9.953 -36.937 1.00 0.00 H new ATOM 0 HE ARG A 65 30.068 11.232 -38.351 1.00 0.00 H new ATOM 0 HH11 ARG A 65 33.539 11.351 -37.725 1.00 0.00 H new ATOM 0 HH12 ARG A 65 33.906 12.164 -39.249 1.00 0.00 H new ATOM 0 HH21 ARG A 65 30.544 12.277 -40.308 1.00 0.00 H new ATOM 0 HH22 ARG A 65 32.216 12.687 -40.707 1.00 0.00 H new ATOM 936 N THR A 66 29.345 8.235 -33.823 1.00 0.00 N ATOM 937 CA THR A 66 28.861 8.648 -32.512 1.00 0.00 C ATOM 938 C THR A 66 29.734 9.752 -31.923 1.00 0.00 C ATOM 939 O THR A 66 30.898 9.901 -32.295 1.00 0.00 O ATOM 940 CB THR A 66 28.821 7.458 -31.533 1.00 0.00 C ATOM 941 OG1 THR A 66 28.053 6.387 -32.095 1.00 0.00 O ATOM 942 CG2 THR A 66 28.222 7.868 -30.195 1.00 0.00 C ATOM 0 H THR A 66 30.360 8.173 -33.897 1.00 0.00 H new ATOM 0 HA THR A 66 27.850 9.030 -32.652 1.00 0.00 H new ATOM 0 HB THR A 66 29.845 7.125 -31.365 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.034 5.634 -31.468 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.206 7.009 -29.525 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.825 8.661 -29.754 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.204 8.228 -30.347 1.00 0.00 H new ATOM 950 N PHE A 67 29.165 10.523 -31.002 1.00 0.00 N ATOM 951 CA PHE A 67 29.891 11.614 -30.361 1.00 0.00 C ATOM 952 C PHE A 67 29.500 11.737 -28.890 1.00 0.00 C ATOM 953 O PHE A 67 28.323 11.632 -28.539 1.00 0.00 O ATOM 954 CB PHE A 67 29.619 12.931 -31.090 1.00 0.00 C ATOM 955 CG PHE A 67 29.692 12.810 -32.585 1.00 0.00 C ATOM 956 CD1 PHE A 67 28.780 12.029 -33.277 1.00 0.00 C ATOM 957 CD2 PHE A 67 30.675 13.477 -33.301 1.00 0.00 C ATOM 958 CE1 PHE A 67 28.845 11.916 -34.652 1.00 0.00 C ATOM 959 CE2 PHE A 67 30.745 13.367 -34.677 1.00 0.00 C ATOM 960 CZ PHE A 67 29.829 12.586 -35.353 1.00 0.00 C ATOM 0 H PHE A 67 28.203 10.412 -30.683 1.00 0.00 H new ATOM 0 HA PHE A 67 30.957 11.392 -30.415 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.631 13.295 -30.810 1.00 0.00 H new ATOM 0 HB3 PHE A 67 30.340 13.678 -30.757 1.00 0.00 H new ATOM 0 HD1 PHE A 67 28.009 11.502 -32.734 1.00 0.00 H new ATOM 0 HD2 PHE A 67 31.394 14.089 -32.777 1.00 0.00 H new ATOM 0 HE1 PHE A 67 28.127 11.304 -35.179 1.00 0.00 H new ATOM 0 HE2 PHE A 67 31.515 13.891 -35.223 1.00 0.00 H new ATOM 0 HZ PHE A 67 29.882 12.499 -36.428 1.00 0.00 H new ATOM 970 N TYR A 68 30.500 11.952 -28.036 1.00 0.00 N ATOM 971 CA TYR A 68 30.271 12.082 -26.600 1.00 0.00 C ATOM 972 C TYR A 68 30.133 13.544 -26.186 1.00 0.00 C ATOM 973 O TYR A 68 30.245 13.877 -25.006 1.00 0.00 O ATOM 974 CB TYR A 68 31.422 11.435 -25.825 1.00 0.00 C ATOM 975 CG TYR A 68 31.559 9.950 -26.069 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.448 9.169 -26.351 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.800 9.331 -26.020 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.569 7.811 -26.579 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.932 7.974 -26.246 1.00 0.00 C ATOM 980 CZ TYR A 68 31.813 7.218 -26.525 1.00 0.00 C ATOM 981 OH TYR A 68 31.937 5.867 -26.752 1.00 0.00 O ATOM 0 H TYR A 68 31.477 12.040 -28.315 1.00 0.00 H new ATOM 0 HA TYR A 68 29.337 11.572 -26.365 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.355 11.927 -26.100 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.273 11.607 -24.759 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.472 9.630 -26.393 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.678 9.920 -25.801 1.00 0.00 H new ATOM 0 HE1 TYR A 68 29.694 7.217 -26.798 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.906 7.508 -26.204 1.00 0.00 H new ATOM 0 HH TYR A 68 32.879 5.608 -26.678 1.00 0.00 H new ATOM 991 N SER A 69 29.892 14.417 -27.160 1.00 0.00 N ATOM 992 CA SER A 69 29.742 15.842 -26.883 1.00 0.00 C ATOM 993 C SER A 69 29.687 16.649 -28.176 1.00 0.00 C ATOM 994 O SER A 69 29.666 16.087 -29.271 1.00 0.00 O ATOM 995 CB SER A 69 30.895 16.339 -26.008 1.00 0.00 C ATOM 996 OG SER A 69 30.547 16.298 -24.635 1.00 0.00 O ATOM 0 H SER A 69 29.797 14.164 -28.144 1.00 0.00 H new ATOM 0 HA SER A 69 28.802 15.982 -26.349 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.778 15.724 -26.181 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.156 17.359 -26.290 1.00 0.00 H new ATOM 0 HG SER A 69 30.107 15.446 -24.434 1.00 0.00 H new ATOM 1002 N CYS A 70 29.665 17.972 -28.039 1.00 0.00 N ATOM 1003 CA CYS A 70 29.614 18.859 -29.192 1.00 0.00 C ATOM 1004 C CYS A 70 30.546 18.368 -30.294 1.00 0.00 C ATOM 1005 O CYS A 70 31.532 17.680 -30.025 1.00 0.00 O ATOM 1006 CB CYS A 70 29.990 20.281 -28.776 1.00 0.00 C ATOM 1007 SG CYS A 70 29.163 20.852 -27.254 1.00 0.00 S ATOM 0 H CYS A 70 29.682 18.452 -27.139 1.00 0.00 H new ATOM 0 HA CYS A 70 28.596 18.860 -29.581 1.00 0.00 H new ATOM 0 HB2 CYS A 70 31.069 20.333 -28.632 1.00 0.00 H new ATOM 0 HB3 CYS A 70 29.743 20.964 -29.589 1.00 0.00 H new ATOM 1012 N THR A 71 30.229 18.721 -31.533 1.00 0.00 N ATOM 1013 CA THR A 71 31.039 18.311 -32.673 1.00 0.00 C ATOM 1014 C THR A 71 30.766 19.186 -33.888 1.00 0.00 C ATOM 1015 O THR A 71 29.683 19.754 -34.027 1.00 0.00 O ATOM 1016 CB THR A 71 30.777 16.841 -33.049 1.00 0.00 C ATOM 1017 OG1 THR A 71 31.818 16.362 -33.908 1.00 0.00 O ATOM 1018 CG2 THR A 71 29.431 16.693 -33.743 1.00 0.00 C ATOM 0 H THR A 71 29.417 19.290 -31.774 1.00 0.00 H new ATOM 0 HA THR A 71 32.081 18.424 -32.373 1.00 0.00 H new ATOM 0 HB THR A 71 30.763 16.251 -32.133 1.00 0.00 H new ATOM 0 HG1 THR A 71 31.661 15.417 -34.117 1.00 0.00 H new ATOM 0 HG21 THR A 71 29.267 15.646 -34.000 1.00 0.00 H new ATOM 0 HG22 THR A 71 28.638 17.032 -33.076 1.00 0.00 H new ATOM 0 HG23 THR A 71 29.422 17.295 -34.652 1.00 0.00 H new ATOM 1026 N THR A 72 31.754 19.284 -34.770 1.00 0.00 N ATOM 1027 CA THR A 72 31.622 20.085 -35.980 1.00 0.00 C ATOM 1028 C THR A 72 31.812 19.221 -37.222 1.00 0.00 C ATOM 1029 O THR A 72 32.684 19.485 -38.049 1.00 0.00 O ATOM 1030 CB THR A 72 32.646 21.236 -36.005 1.00 0.00 C ATOM 1031 OG1 THR A 72 33.789 20.893 -35.212 1.00 0.00 O ATOM 1032 CG2 THR A 72 32.026 22.521 -35.478 1.00 0.00 C ATOM 0 H THR A 72 32.656 18.818 -34.669 1.00 0.00 H new ATOM 0 HA THR A 72 30.617 20.507 -35.980 1.00 0.00 H new ATOM 0 HB THR A 72 32.955 21.396 -37.038 1.00 0.00 H new ATOM 0 HG1 THR A 72 34.436 21.629 -35.235 1.00 0.00 H new ATOM 0 HG21 THR A 72 32.767 23.320 -35.505 1.00 0.00 H new ATOM 0 HG22 THR A 72 31.174 22.795 -36.100 1.00 0.00 H new ATOM 0 HG23 THR A 72 31.692 22.370 -34.451 1.00 0.00 H new ATOM 1040 N GLU A 73 30.993 18.181 -37.341 1.00 0.00 N ATOM 1041 CA GLU A 73 31.073 17.268 -38.476 1.00 0.00 C ATOM 1042 C GLU A 73 29.878 17.436 -39.408 1.00 0.00 C ATOM 1043 O GLU A 73 29.677 16.638 -40.323 1.00 0.00 O ATOM 1044 CB GLU A 73 31.142 15.822 -37.985 1.00 0.00 C ATOM 1045 CG GLU A 73 32.560 15.308 -37.801 1.00 0.00 C ATOM 1046 CD GLU A 73 33.328 15.242 -39.107 1.00 0.00 C ATOM 1047 OE1 GLU A 73 33.074 14.311 -39.899 1.00 0.00 O ATOM 1048 OE2 GLU A 73 34.184 16.122 -39.337 1.00 0.00 O ATOM 0 H GLU A 73 30.266 17.949 -36.665 1.00 0.00 H new ATOM 0 HA GLU A 73 31.979 17.508 -39.033 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.610 15.744 -37.037 1.00 0.00 H new ATOM 0 HB3 GLU A 73 30.622 15.181 -38.696 1.00 0.00 H new ATOM 0 HG2 GLU A 73 33.090 15.957 -37.104 1.00 0.00 H new ATOM 0 HG3 GLU A 73 32.528 14.315 -37.352 1.00 0.00 H new ATOM 1055 N GLY A 74 29.086 18.474 -39.172 1.00 0.00 N ATOM 1056 CA GLY A 74 27.922 18.714 -40.004 1.00 0.00 C ATOM 1057 C GLY A 74 27.359 20.113 -39.850 1.00 0.00 C ATOM 1058 O GLY A 74 26.259 20.294 -39.329 1.00 0.00 O ATOM 0 H GLY A 74 29.227 19.152 -38.423 1.00 0.00 H new ATOM 0 HA2 GLY A 74 28.189 18.549 -41.048 1.00 0.00 H new ATOM 0 HA3 GLY A 74 27.148 17.988 -39.754 1.00 0.00 H new ATOM 1122 N HIS A 79 31.201 25.934 -35.817 1.00 0.00 N ATOM 1123 CA HIS A 79 30.969 25.997 -34.379 1.00 0.00 C ATOM 1124 C HIS A 79 30.508 24.646 -33.841 1.00 0.00 C ATOM 1125 O HIS A 79 29.561 24.053 -34.356 1.00 0.00 O ATOM 1126 CB HIS A 79 29.927 27.069 -34.052 1.00 0.00 C ATOM 1127 CG HIS A 79 29.835 28.148 -35.084 1.00 0.00 C ATOM 1128 ND1 HIS A 79 28.639 28.705 -35.485 1.00 0.00 N ATOM 1129 CD2 HIS A 79 30.798 28.778 -35.797 1.00 0.00 C ATOM 1130 CE1 HIS A 79 28.872 29.629 -36.401 1.00 0.00 C ATOM 1131 NE2 HIS A 79 30.173 29.693 -36.607 1.00 0.00 N ATOM 0 HA HIS A 79 31.912 26.258 -33.898 1.00 0.00 H new ATOM 0 HB2 HIS A 79 28.951 26.595 -33.946 1.00 0.00 H new ATOM 0 HB3 HIS A 79 30.170 27.518 -33.089 1.00 0.00 H new ATOM 0 HD1 HIS A 79 27.719 28.445 -35.130 1.00 0.00 H new ATOM 0 HD2 HIS A 79 31.861 28.595 -35.739 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.124 30.230 -36.897 1.00 0.00 H new ATOM 1140 N LEU A 80 31.182 24.167 -32.799 1.00 0.00 N ATOM 1141 CA LEU A 80 30.839 22.890 -32.189 1.00 0.00 C ATOM 1142 C LEU A 80 29.343 22.816 -31.902 1.00 0.00 C ATOM 1143 O LEU A 80 28.781 23.708 -31.268 1.00 0.00 O ATOM 1144 CB LEU A 80 31.625 22.699 -30.893 1.00 0.00 C ATOM 1145 CG LEU A 80 33.051 22.179 -31.067 1.00 0.00 C ATOM 1146 CD1 LEU A 80 33.760 22.927 -32.185 1.00 0.00 C ATOM 1147 CD2 LEU A 80 33.823 22.308 -29.763 1.00 0.00 C ATOM 0 H LEU A 80 31.969 24.646 -32.361 1.00 0.00 H new ATOM 0 HA LEU A 80 31.100 22.095 -32.887 1.00 0.00 H new ATOM 0 HB2 LEU A 80 31.665 23.653 -30.367 1.00 0.00 H new ATOM 0 HB3 LEU A 80 31.078 22.006 -30.254 1.00 0.00 H new ATOM 0 HG LEU A 80 33.004 21.124 -31.338 1.00 0.00 H new ATOM 0 HD11 LEU A 80 34.774 22.543 -32.294 1.00 0.00 H new ATOM 0 HD12 LEU A 80 33.216 22.786 -33.119 1.00 0.00 H new ATOM 0 HD13 LEU A 80 33.799 23.989 -31.945 1.00 0.00 H new ATOM 0 HD21 LEU A 80 34.837 21.934 -29.902 1.00 0.00 H new ATOM 0 HD22 LEU A 80 33.861 23.356 -29.465 1.00 0.00 H new ATOM 0 HD23 LEU A 80 33.325 21.727 -28.986 1.00 0.00 H new ATOM 1159 N TRP A 81 28.702 21.752 -32.374 1.00 0.00 N ATOM 1160 CA TRP A 81 27.269 21.577 -32.167 1.00 0.00 C ATOM 1161 C TRP A 81 26.948 20.181 -31.647 1.00 0.00 C ATOM 1162 O TRP A 81 27.630 19.209 -31.972 1.00 0.00 O ATOM 1163 CB TRP A 81 26.516 21.829 -33.473 1.00 0.00 C ATOM 1164 CG TRP A 81 26.755 20.775 -34.510 1.00 0.00 C ATOM 1165 CD1 TRP A 81 27.570 20.869 -35.602 1.00 0.00 C ATOM 1166 CD2 TRP A 81 26.174 19.466 -34.555 1.00 0.00 C ATOM 1167 NE1 TRP A 81 27.527 19.702 -36.324 1.00 0.00 N ATOM 1168 CE2 TRP A 81 26.678 18.825 -35.702 1.00 0.00 C ATOM 1169 CE3 TRP A 81 25.274 18.773 -33.737 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 26.314 17.527 -36.052 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 24.915 17.484 -34.086 1.00 0.00 C ATOM 1172 CH2 TRP A 81 25.434 16.873 -35.234 1.00 0.00 C ATOM 0 H TRP A 81 29.149 21.001 -32.900 1.00 0.00 H new ATOM 0 HA TRP A 81 26.949 22.300 -31.417 1.00 0.00 H new ATOM 0 HB2 TRP A 81 25.448 21.886 -33.263 1.00 0.00 H new ATOM 0 HB3 TRP A 81 26.814 22.798 -33.875 1.00 0.00 H new ATOM 0 HD1 TRP A 81 28.162 21.735 -35.860 1.00 0.00 H new ATOM 0 HE1 TRP A 81 28.043 19.518 -37.184 1.00 0.00 H new ATOM 0 HE3 TRP A 81 24.868 19.236 -32.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 26.712 17.054 -36.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 24.222 16.939 -33.462 1.00 0.00 H new ATOM 0 HH2 TRP A 81 25.133 15.865 -35.479 1.00 0.00 H new ATOM 1183 N CYS A 82 25.893 20.093 -30.842 1.00 0.00 N ATOM 1184 CA CYS A 82 25.460 18.820 -30.278 1.00 0.00 C ATOM 1185 C CYS A 82 23.965 18.624 -30.503 1.00 0.00 C ATOM 1186 O CYS A 82 23.266 19.549 -30.917 1.00 0.00 O ATOM 1187 CB CYS A 82 25.777 18.761 -28.783 1.00 0.00 C ATOM 1188 SG CYS A 82 24.926 20.028 -27.789 1.00 0.00 S ATOM 0 H CYS A 82 25.321 20.891 -30.565 1.00 0.00 H new ATOM 0 HA CYS A 82 26.001 18.019 -30.781 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.506 17.776 -28.404 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.853 18.870 -28.647 1.00 0.00 H new ATOM 1193 N SER A 83 23.477 17.422 -30.225 1.00 0.00 N ATOM 1194 CA SER A 83 22.061 17.120 -30.400 1.00 0.00 C ATOM 1195 C SER A 83 21.320 17.243 -29.074 1.00 0.00 C ATOM 1196 O SER A 83 21.727 16.661 -28.073 1.00 0.00 O ATOM 1197 CB SER A 83 21.882 15.715 -30.979 1.00 0.00 C ATOM 1198 OG SER A 83 20.520 15.328 -30.964 1.00 0.00 O ATOM 0 H SER A 83 24.037 16.643 -29.879 1.00 0.00 H new ATOM 0 HA SER A 83 21.640 17.842 -31.100 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.260 15.689 -32.001 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.472 15.003 -30.403 1.00 0.00 H new ATOM 0 HG SER A 83 20.439 14.429 -30.581 1.00 0.00 H new ATOM 1204 N THR A 84 20.234 18.008 -29.072 1.00 0.00 N ATOM 1205 CA THR A 84 19.442 18.208 -27.864 1.00 0.00 C ATOM 1206 C THR A 84 18.642 16.959 -27.514 1.00 0.00 C ATOM 1207 O THR A 84 18.450 16.643 -26.340 1.00 0.00 O ATOM 1208 CB THR A 84 18.477 19.397 -28.015 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.625 19.198 -29.150 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.246 20.700 -28.175 1.00 0.00 C ATOM 0 H THR A 84 19.882 18.500 -29.893 1.00 0.00 H new ATOM 0 HA THR A 84 20.145 18.421 -27.059 1.00 0.00 H new ATOM 0 HB THR A 84 17.869 19.459 -27.112 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.054 19.567 -29.950 1.00 0.00 H new ATOM 0 HG21 THR A 84 18.543 21.527 -28.280 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.871 20.864 -27.297 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.876 20.644 -29.063 1.00 0.00 H new ATOM 1218 N THR A 85 18.178 16.251 -28.539 1.00 0.00 N ATOM 1219 CA THR A 85 17.400 15.038 -28.332 1.00 0.00 C ATOM 1220 C THR A 85 18.045 13.848 -29.037 1.00 0.00 C ATOM 1221 O THR A 85 18.939 14.013 -29.867 1.00 0.00 O ATOM 1222 CB THR A 85 15.951 15.207 -28.832 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.086 14.294 -28.146 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.857 14.970 -30.331 1.00 0.00 C ATOM 0 H THR A 85 18.327 16.497 -29.518 1.00 0.00 H new ATOM 0 HA THR A 85 17.380 14.849 -27.259 1.00 0.00 H new ATOM 0 HB THR A 85 15.640 16.231 -28.625 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.168 14.409 -28.468 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.824 15.096 -30.655 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.491 15.687 -30.853 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.188 13.957 -30.561 1.00 0.00 H new ATOM 1232 N SER A 86 17.586 12.649 -28.699 1.00 0.00 N ATOM 1233 CA SER A 86 18.121 11.431 -29.297 1.00 0.00 C ATOM 1234 C SER A 86 17.819 11.376 -30.790 1.00 0.00 C ATOM 1235 O SER A 86 18.663 10.973 -31.589 1.00 0.00 O ATOM 1236 CB SER A 86 17.537 10.199 -28.603 1.00 0.00 C ATOM 1237 OG SER A 86 16.785 10.566 -27.459 1.00 0.00 O ATOM 0 H SER A 86 16.846 12.494 -28.015 1.00 0.00 H new ATOM 0 HA SER A 86 19.203 11.438 -29.165 1.00 0.00 H new ATOM 0 HB2 SER A 86 16.901 9.652 -29.300 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.343 9.526 -28.311 1.00 0.00 H new ATOM 0 HG SER A 86 16.421 9.761 -27.035 1.00 0.00 H new ATOM 1243 N ASN A 87 16.608 11.780 -31.158 1.00 0.00 N ATOM 1244 CA ASN A 87 16.196 11.771 -32.556 1.00 0.00 C ATOM 1245 C ASN A 87 16.397 13.141 -33.197 1.00 0.00 C ATOM 1246 O ASN A 87 15.434 13.867 -33.440 1.00 0.00 O ATOM 1247 CB ASN A 87 14.731 11.353 -32.674 1.00 0.00 C ATOM 1248 CG ASN A 87 14.540 10.165 -33.595 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.472 9.736 -34.277 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.327 9.625 -33.621 1.00 0.00 N ATOM 0 H ASN A 87 15.897 12.117 -30.509 1.00 0.00 H new ATOM 0 HA ASN A 87 16.819 11.049 -33.085 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.346 11.107 -31.684 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.145 12.194 -33.045 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.139 8.823 -34.222 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.584 10.012 -33.040 1.00 0.00 H new ATOM 1257 N TYR A 88 17.650 13.486 -33.475 1.00 0.00 N ATOM 1258 CA TYR A 88 17.965 14.764 -34.097 1.00 0.00 C ATOM 1259 C TYR A 88 17.589 14.741 -35.575 1.00 0.00 C ATOM 1260 O TYR A 88 17.305 15.781 -36.171 1.00 0.00 O ATOM 1261 CB TYR A 88 19.455 15.080 -33.936 1.00 0.00 C ATOM 1262 CG TYR A 88 20.008 15.979 -35.019 1.00 0.00 C ATOM 1263 CD1 TYR A 88 20.390 15.460 -36.250 1.00 0.00 C ATOM 1264 CD2 TYR A 88 20.144 17.346 -34.812 1.00 0.00 C ATOM 1265 CE1 TYR A 88 20.893 16.279 -37.244 1.00 0.00 C ATOM 1266 CE2 TYR A 88 20.644 18.170 -35.801 1.00 0.00 C ATOM 1267 CZ TYR A 88 21.018 17.632 -37.015 1.00 0.00 C ATOM 1268 OH TYR A 88 21.517 18.450 -38.001 1.00 0.00 O ATOM 0 H TYR A 88 18.461 12.899 -33.279 1.00 0.00 H new ATOM 0 HA TYR A 88 17.386 15.543 -33.601 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.614 15.554 -32.967 1.00 0.00 H new ATOM 0 HB3 TYR A 88 20.017 14.146 -33.930 1.00 0.00 H new ATOM 0 HD1 TYR A 88 20.292 14.400 -36.433 1.00 0.00 H new ATOM 0 HD2 TYR A 88 19.854 17.771 -33.862 1.00 0.00 H new ATOM 0 HE1 TYR A 88 21.186 15.860 -38.195 1.00 0.00 H new ATOM 0 HE2 TYR A 88 20.742 19.231 -35.625 1.00 0.00 H new ATOM 0 HH TYR A 88 21.539 19.375 -37.679 1.00 0.00 H new ATOM 1278 N GLU A 89 17.598 13.548 -36.158 1.00 0.00 N ATOM 1279 CA GLU A 89 17.266 13.385 -37.567 1.00 0.00 C ATOM 1280 C GLU A 89 15.785 13.645 -37.818 1.00 0.00 C ATOM 1281 O GLU A 89 15.396 14.063 -38.909 1.00 0.00 O ATOM 1282 CB GLU A 89 17.633 11.977 -38.037 1.00 0.00 C ATOM 1283 CG GLU A 89 19.089 11.834 -38.447 1.00 0.00 C ATOM 1284 CD GLU A 89 19.285 10.812 -39.550 1.00 0.00 C ATOM 1285 OE1 GLU A 89 18.768 9.683 -39.412 1.00 0.00 O ATOM 1286 OE2 GLU A 89 19.955 11.142 -40.551 1.00 0.00 O ATOM 0 H GLU A 89 17.832 12.680 -35.676 1.00 0.00 H new ATOM 0 HA GLU A 89 17.843 14.116 -38.134 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.418 11.268 -37.237 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.998 11.708 -38.881 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.465 12.801 -38.781 1.00 0.00 H new ATOM 0 HG3 GLU A 89 19.681 11.544 -37.579 1.00 0.00 H new ATOM 1293 N GLN A 90 14.961 13.393 -36.807 1.00 0.00 N ATOM 1294 CA GLN A 90 13.522 13.600 -36.931 1.00 0.00 C ATOM 1295 C GLN A 90 13.120 14.977 -36.413 1.00 0.00 C ATOM 1296 O GLN A 90 12.216 15.614 -36.955 1.00 0.00 O ATOM 1297 CB GLN A 90 12.756 12.503 -36.186 1.00 0.00 C ATOM 1298 CG GLN A 90 12.458 12.842 -34.737 1.00 0.00 C ATOM 1299 CD GLN A 90 11.065 13.410 -34.546 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.201 13.269 -35.410 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.841 14.059 -33.409 1.00 0.00 N ATOM 0 H GLN A 90 15.262 13.047 -35.896 1.00 0.00 H new ATOM 0 HA GLN A 90 13.264 13.548 -37.989 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.817 12.311 -36.705 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.334 11.580 -36.222 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.567 11.945 -34.128 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.193 13.563 -34.378 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.587 14.152 -32.720 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.923 14.464 -33.225 1.00 0.00 H new ATOM 1310 N ASP A 91 13.796 15.432 -35.366 1.00 0.00 N ATOM 1311 CA ASP A 91 13.509 16.735 -34.783 1.00 0.00 C ATOM 1312 C ASP A 91 14.312 17.824 -35.484 1.00 0.00 C ATOM 1313 O ASP A 91 13.761 18.836 -35.915 1.00 0.00 O ATOM 1314 CB ASP A 91 13.832 16.730 -33.290 1.00 0.00 C ATOM 1315 CG ASP A 91 12.877 17.593 -32.489 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.560 18.710 -32.948 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.446 17.150 -31.404 1.00 0.00 O ATOM 0 H ASP A 91 14.546 14.918 -34.904 1.00 0.00 H new ATOM 0 HA ASP A 91 12.447 16.943 -34.916 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.793 15.707 -32.916 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.851 17.086 -33.140 1.00 0.00 H new ATOM 1322 N GLN A 92 15.617 17.606 -35.593 1.00 0.00 N ATOM 1323 CA GLN A 92 16.500 18.565 -36.241 1.00 0.00 C ATOM 1324 C GLN A 92 16.816 19.727 -35.307 1.00 0.00 C ATOM 1325 O GLN A 92 17.037 20.853 -35.753 1.00 0.00 O ATOM 1326 CB GLN A 92 15.862 19.088 -37.528 1.00 0.00 C ATOM 1327 CG GLN A 92 16.857 19.313 -38.653 1.00 0.00 C ATOM 1328 CD GLN A 92 17.197 18.035 -39.395 1.00 0.00 C ATOM 1329 OE1 GLN A 92 18.366 17.682 -39.542 1.00 0.00 O ATOM 1330 NE2 GLN A 92 16.172 17.335 -39.867 1.00 0.00 N ATOM 0 H GLN A 92 16.087 16.772 -35.240 1.00 0.00 H new ATOM 0 HA GLN A 92 17.432 18.056 -36.488 1.00 0.00 H new ATOM 0 HB2 GLN A 92 15.104 18.380 -37.861 1.00 0.00 H new ATOM 0 HB3 GLN A 92 15.350 20.026 -37.314 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.447 20.039 -39.356 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.770 19.745 -38.244 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.218 17.666 -39.721 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.338 16.466 -40.375 1.00 0.00 H new ATOM 1339 N LYS A 93 16.838 19.445 -34.009 1.00 0.00 N ATOM 1340 CA LYS A 93 17.130 20.466 -33.011 1.00 0.00 C ATOM 1341 C LYS A 93 18.471 20.194 -32.341 1.00 0.00 C ATOM 1342 O LYS A 93 18.584 19.318 -31.484 1.00 0.00 O ATOM 1343 CB LYS A 93 16.017 20.535 -31.959 1.00 0.00 C ATOM 1344 CG LYS A 93 15.056 19.355 -31.979 1.00 0.00 C ATOM 1345 CD LYS A 93 15.507 18.254 -31.032 1.00 0.00 C ATOM 1346 CE LYS A 93 15.131 18.569 -29.593 1.00 0.00 C ATOM 1347 NZ LYS A 93 13.743 18.132 -29.272 1.00 0.00 N ATOM 0 H LYS A 93 16.657 18.518 -33.624 1.00 0.00 H new ATOM 0 HA LYS A 93 17.183 21.428 -33.520 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.472 20.600 -30.971 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.449 21.453 -32.109 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.058 19.692 -31.698 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.985 18.959 -32.992 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.053 17.308 -31.329 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.587 18.127 -31.108 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.832 18.076 -28.919 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.223 19.641 -29.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.136 18.967 -29.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.374 17.548 -30.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.749 17.575 -28.394 1.00 0.00 H new ATOM 1361 N TYR A 94 19.488 20.949 -32.745 1.00 0.00 N ATOM 1362 CA TYR A 94 20.829 20.791 -32.194 1.00 0.00 C ATOM 1363 C TYR A 94 21.279 22.057 -31.471 1.00 0.00 C ATOM 1364 O TYR A 94 20.670 23.116 -31.615 1.00 0.00 O ATOM 1365 CB TYR A 94 21.818 20.452 -33.310 1.00 0.00 C ATOM 1366 CG TYR A 94 22.147 21.627 -34.205 1.00 0.00 C ATOM 1367 CD1 TYR A 94 23.105 22.560 -33.831 1.00 0.00 C ATOM 1368 CD2 TYR A 94 21.501 21.801 -35.422 1.00 0.00 C ATOM 1369 CE1 TYR A 94 23.410 23.636 -34.644 1.00 0.00 C ATOM 1370 CE2 TYR A 94 21.800 22.874 -36.242 1.00 0.00 C ATOM 1371 CZ TYR A 94 22.756 23.787 -35.847 1.00 0.00 C ATOM 1372 OH TYR A 94 23.057 24.856 -36.661 1.00 0.00 O ATOM 0 H TYR A 94 19.408 21.678 -33.454 1.00 0.00 H new ATOM 0 HA TYR A 94 20.804 19.975 -31.472 1.00 0.00 H new ATOM 0 HB2 TYR A 94 22.739 20.075 -32.866 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.405 19.647 -33.918 1.00 0.00 H new ATOM 0 HD1 TYR A 94 23.621 22.443 -32.889 1.00 0.00 H new ATOM 0 HD2 TYR A 94 20.753 21.087 -35.733 1.00 0.00 H new ATOM 0 HE1 TYR A 94 24.157 24.354 -34.338 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.288 22.996 -37.185 1.00 0.00 H new ATOM 0 HH TYR A 94 22.508 24.815 -37.472 1.00 0.00 H new ATOM 1382 N SER A 95 22.355 21.937 -30.700 1.00 0.00 N ATOM 1383 CA SER A 95 22.896 23.071 -29.960 1.00 0.00 C ATOM 1384 C SER A 95 24.325 23.365 -30.401 1.00 0.00 C ATOM 1385 O SER A 95 24.883 22.658 -31.239 1.00 0.00 O ATOM 1386 CB SER A 95 22.859 22.796 -28.456 1.00 0.00 C ATOM 1387 OG SER A 95 22.049 21.669 -28.162 1.00 0.00 O ATOM 0 H SER A 95 22.869 21.066 -30.572 1.00 0.00 H new ATOM 0 HA SER A 95 22.277 23.943 -30.173 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.871 22.626 -28.089 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.474 23.671 -27.933 1.00 0.00 H new ATOM 0 HG SER A 95 22.621 20.899 -27.961 1.00 0.00 H new ATOM 1393 N PHE A 96 24.914 24.415 -29.839 1.00 0.00 N ATOM 1394 CA PHE A 96 26.275 24.795 -30.189 1.00 0.00 C ATOM 1395 C PHE A 96 27.229 24.593 -29.019 1.00 0.00 C ATOM 1396 O PHE A 96 26.842 24.096 -27.961 1.00 0.00 O ATOM 1397 CB PHE A 96 26.318 26.254 -30.641 1.00 0.00 C ATOM 1398 CG PHE A 96 26.250 26.422 -32.132 1.00 0.00 C ATOM 1399 CD1 PHE A 96 26.904 25.537 -32.973 1.00 0.00 C ATOM 1400 CD2 PHE A 96 25.527 27.462 -32.689 1.00 0.00 C ATOM 1401 CE1 PHE A 96 26.836 25.686 -34.344 1.00 0.00 C ATOM 1402 CE2 PHE A 96 25.457 27.619 -34.060 1.00 0.00 C ATOM 1403 CZ PHE A 96 26.112 26.729 -34.889 1.00 0.00 C ATOM 0 H PHE A 96 24.472 25.015 -29.143 1.00 0.00 H new ATOM 0 HA PHE A 96 26.597 24.151 -31.007 1.00 0.00 H new ATOM 0 HB2 PHE A 96 25.487 26.792 -30.185 1.00 0.00 H new ATOM 0 HB3 PHE A 96 27.236 26.713 -30.273 1.00 0.00 H new ATOM 0 HD1 PHE A 96 27.473 24.722 -32.552 1.00 0.00 H new ATOM 0 HD2 PHE A 96 25.012 28.159 -32.045 1.00 0.00 H new ATOM 0 HE1 PHE A 96 27.348 24.988 -34.990 1.00 0.00 H new ATOM 0 HE2 PHE A 96 24.891 28.436 -34.483 1.00 0.00 H new ATOM 0 HZ PHE A 96 26.058 26.848 -35.961 1.00 0.00 H new ATOM 1413 N CYS A 97 28.479 24.991 -29.221 1.00 0.00 N ATOM 1414 CA CYS A 97 29.504 24.867 -28.193 1.00 0.00 C ATOM 1415 C CYS A 97 30.527 25.991 -28.319 1.00 0.00 C ATOM 1416 O CYS A 97 31.028 26.267 -29.408 1.00 0.00 O ATOM 1417 CB CYS A 97 30.202 23.509 -28.295 1.00 0.00 C ATOM 1418 SG CYS A 97 30.172 22.540 -26.752 1.00 0.00 S ATOM 0 H CYS A 97 28.808 25.405 -30.093 1.00 0.00 H new ATOM 0 HA CYS A 97 29.021 24.941 -27.219 1.00 0.00 H new ATOM 0 HB2 CYS A 97 29.728 22.927 -29.086 1.00 0.00 H new ATOM 0 HB3 CYS A 97 31.239 23.667 -28.592 1.00 0.00 H new ATOM 1423 N THR A 98 30.828 26.640 -27.199 1.00 0.00 N ATOM 1424 CA THR A 98 31.784 27.736 -27.185 1.00 0.00 C ATOM 1425 C THR A 98 33.167 27.268 -27.622 1.00 0.00 C ATOM 1426 O THR A 98 33.480 27.256 -28.813 1.00 0.00 O ATOM 1427 CB THR A 98 31.884 28.367 -25.786 1.00 0.00 C ATOM 1428 OG1 THR A 98 31.881 27.342 -24.784 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.732 29.326 -25.541 1.00 0.00 C ATOM 0 H THR A 98 30.422 26.424 -26.289 1.00 0.00 H new ATOM 0 HA THR A 98 31.422 28.484 -27.890 1.00 0.00 H new ATOM 0 HB THR A 98 32.818 28.926 -25.730 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.523 27.571 -24.080 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.825 29.759 -24.545 1.00 0.00 H new ATOM 0 HG22 THR A 98 30.756 30.121 -26.286 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.788 28.787 -25.615 1.00 0.00 H new