USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 85 THR OG1 : rot 35:sc= -0.307! USER MOD Set 2.2: A 93 LYS NZ :NH3+ -124:sc= 0.00631 (180deg=-2.3!) USER MOD Set 3.1: A 3 HIS :FLIP no HE2:sc= -1.49 F(o=-3.5,f=-2.2) USER MOD Set 3.2: A 13 SER OG : rot -26:sc= -0.759 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -74:sc= 1.35 USER MOD Single : A 16 MET CE :methyl -125:sc= -0.515 (180deg=-1.2) USER MOD Single : A 17 GLN : amide:sc= -0.306 K(o=-0.31,f=-2.9!) USER MOD Single : A 20 LYS NZ :NH3+ 160:sc=-0.00132 (180deg=-0.501) USER MOD Single : A 26 GLN : amide:sc= -2.99! C(o=-3!,f=-4.9!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.7! USER MOD Single : A 34 ASN : amide:sc= -4.39! C(o=-4.4!,f=-11!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00543 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.0603 USER MOD Single : A 63 ASN : amide:sc= 0.0576 X(o=0.058,f=-0.28) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 68 TYR OH : rot 88:sc= 1.22 USER MOD Single : A 69 SER OG : rot 180:sc= -0.331 USER MOD Single : A 71 THR OG1 : rot 174:sc= 0.03 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.716 K(o=-0.72,f=-1.4!) USER MOD Single : A 83 SER OG : rot -158:sc= -2.19! USER MOD Single : A 84 THR OG1 : rot -62:sc= 0.598 USER MOD Single : A 86 SER OG : rot 180:sc= 0.105 USER MOD Single : A 87 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.7!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.782 K(o=-0.78,f=-5.6!) USER MOD Single : A 92 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.11) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 110:sc= -2.36! USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 44.802 2.669 -40.319 1.00 0.00 N ATOM 32 CA HIS A 3 44.063 1.975 -39.271 1.00 0.00 C ATOM 33 C HIS A 3 44.829 2.010 -37.953 1.00 0.00 C ATOM 34 O HIS A 3 45.940 1.489 -37.857 1.00 0.00 O ATOM 35 CB HIS A 3 43.804 0.524 -39.682 1.00 0.00 C ATOM 36 CG HIS A 3 42.351 0.171 -39.762 1.00 0.00 C ATOM 37 ND1 HIS A 3 41.410 0.059 -38.794 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 41.713 -0.125 -40.949 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 40.235 -0.297 -39.408 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 40.444 -0.402 -40.708 1.00 0.00 N flip ATOM 0 HA HIS A 3 43.110 2.485 -39.131 1.00 0.00 H new ATOM 0 HB2 HIS A 3 44.267 0.342 -40.652 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.291 -0.139 -38.967 1.00 0.00 H new ATOM 0 HD1 HIS A 3 41.549 0.211 -37.795 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.179 -0.130 -41.923 1.00 0.00 H new ATOM 0 HE1 HIS A 3 39.292 -0.464 -38.909 1.00 0.00 H new ATOM 49 N CYS A 4 44.229 2.621 -36.936 1.00 0.00 N ATOM 50 CA CYS A 4 44.854 2.717 -35.628 1.00 0.00 C ATOM 51 C CYS A 4 44.282 1.667 -34.681 1.00 0.00 C ATOM 52 O CYS A 4 43.399 0.895 -35.057 1.00 0.00 O ATOM 53 CB CYS A 4 44.648 4.113 -35.044 1.00 0.00 C ATOM 54 SG CYS A 4 45.654 5.412 -35.833 1.00 0.00 S ATOM 0 H CYS A 4 43.309 3.057 -36.996 1.00 0.00 H new ATOM 0 HA CYS A 4 45.922 2.536 -35.745 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.595 4.380 -35.134 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.880 4.087 -33.979 1.00 0.00 H new ATOM 59 N VAL A 5 44.788 1.642 -33.454 1.00 0.00 N ATOM 60 CA VAL A 5 44.323 0.684 -32.459 1.00 0.00 C ATOM 61 C VAL A 5 44.964 0.942 -31.100 1.00 0.00 C ATOM 62 O VAL A 5 46.159 1.227 -31.009 1.00 0.00 O ATOM 63 CB VAL A 5 44.624 -0.762 -32.893 1.00 0.00 C ATOM 64 CG1 VAL A 5 46.124 -0.991 -32.991 1.00 0.00 C ATOM 65 CG2 VAL A 5 43.984 -1.750 -31.931 1.00 0.00 C ATOM 0 H VAL A 5 45.519 2.273 -33.125 1.00 0.00 H new ATOM 0 HA VAL A 5 43.244 0.814 -32.374 1.00 0.00 H new ATOM 0 HB VAL A 5 44.194 -0.923 -33.881 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.316 -2.019 -33.299 1.00 0.00 H new ATOM 0 HG12 VAL A 5 46.549 -0.307 -33.725 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.584 -0.812 -32.019 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.207 -2.767 -32.253 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.381 -1.591 -30.929 1.00 0.00 H new ATOM 0 HG23 VAL A 5 42.904 -1.601 -31.921 1.00 0.00 H new ATOM 75 N THR A 6 44.161 0.842 -30.044 1.00 0.00 N ATOM 76 CA THR A 6 44.650 1.066 -28.688 1.00 0.00 C ATOM 77 C THR A 6 45.658 -0.003 -28.282 1.00 0.00 C ATOM 78 O THR A 6 46.806 0.305 -27.957 1.00 0.00 O ATOM 79 CB THR A 6 43.495 1.077 -27.669 1.00 0.00 C ATOM 80 OG1 THR A 6 43.003 -0.254 -27.472 1.00 0.00 O ATOM 81 CG2 THR A 6 42.362 1.976 -28.142 1.00 0.00 C ATOM 0 H THR A 6 43.170 0.608 -30.102 1.00 0.00 H new ATOM 0 HA THR A 6 45.137 2.041 -28.686 1.00 0.00 H new ATOM 0 HB THR A 6 43.877 1.467 -26.726 1.00 0.00 H new ATOM 0 HG1 THR A 6 42.270 -0.239 -26.822 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.559 1.967 -27.405 1.00 0.00 H new ATOM 0 HG22 THR A 6 42.732 2.994 -28.263 1.00 0.00 H new ATOM 0 HG23 THR A 6 41.983 1.612 -29.097 1.00 0.00 H new ATOM 89 N ASP A 7 45.224 -1.260 -28.302 1.00 0.00 N ATOM 90 CA ASP A 7 46.091 -2.377 -27.935 1.00 0.00 C ATOM 91 C ASP A 7 45.271 -3.599 -27.529 1.00 0.00 C ATOM 92 O ASP A 7 45.764 -4.726 -27.558 1.00 0.00 O ATOM 93 CB ASP A 7 47.021 -1.974 -26.790 1.00 0.00 C ATOM 94 CG ASP A 7 48.451 -1.761 -27.251 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.147 -2.766 -27.509 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.875 -0.592 -27.353 1.00 0.00 O ATOM 0 H ASP A 7 44.277 -1.531 -28.568 1.00 0.00 H new ATOM 0 HA ASP A 7 46.689 -2.638 -28.808 1.00 0.00 H new ATOM 0 HB2 ASP A 7 46.650 -1.058 -26.330 1.00 0.00 H new ATOM 0 HB3 ASP A 7 47.002 -2.747 -26.021 1.00 0.00 H new ATOM 101 N SER A 8 44.018 -3.370 -27.148 1.00 0.00 N ATOM 102 CA SER A 8 43.134 -4.453 -26.736 1.00 0.00 C ATOM 103 C SER A 8 42.538 -5.157 -27.948 1.00 0.00 C ATOM 104 O SER A 8 42.116 -6.309 -27.865 1.00 0.00 O ATOM 105 CB SER A 8 42.014 -3.914 -25.843 1.00 0.00 C ATOM 106 OG SER A 8 42.187 -4.328 -24.499 1.00 0.00 O ATOM 0 H SER A 8 43.593 -2.443 -27.116 1.00 0.00 H new ATOM 0 HA SER A 8 43.723 -5.175 -26.171 1.00 0.00 H new ATOM 0 HB2 SER A 8 41.998 -2.825 -25.892 1.00 0.00 H new ATOM 0 HB3 SER A 8 41.050 -4.264 -26.213 1.00 0.00 H new ATOM 0 HG SER A 8 41.459 -3.969 -23.950 1.00 0.00 H new ATOM 112 N GLY A 9 42.506 -4.453 -29.075 1.00 0.00 N ATOM 113 CA GLY A 9 41.960 -5.028 -30.288 1.00 0.00 C ATOM 114 C GLY A 9 41.161 -4.027 -31.101 1.00 0.00 C ATOM 115 O GLY A 9 40.992 -4.194 -32.308 1.00 0.00 O ATOM 0 H GLY A 9 42.848 -3.497 -29.169 1.00 0.00 H new ATOM 0 HA2 GLY A 9 42.774 -5.419 -30.899 1.00 0.00 H new ATOM 0 HA3 GLY A 9 41.321 -5.873 -30.030 1.00 0.00 H new ATOM 119 N VAL A 10 40.667 -2.986 -30.438 1.00 0.00 N ATOM 120 CA VAL A 10 39.884 -1.957 -31.110 1.00 0.00 C ATOM 121 C VAL A 10 40.696 -1.280 -32.207 1.00 0.00 C ATOM 122 O VAL A 10 41.350 -0.264 -31.972 1.00 0.00 O ATOM 123 CB VAL A 10 39.388 -0.888 -30.119 1.00 0.00 C ATOM 124 CG1 VAL A 10 38.457 0.093 -30.816 1.00 0.00 C ATOM 125 CG2 VAL A 10 38.696 -1.538 -28.931 1.00 0.00 C ATOM 0 H VAL A 10 40.795 -2.834 -29.438 1.00 0.00 H new ATOM 0 HA VAL A 10 39.022 -2.455 -31.553 1.00 0.00 H new ATOM 0 HB VAL A 10 40.251 -0.335 -29.748 1.00 0.00 H new ATOM 0 HG11 VAL A 10 38.116 0.842 -30.101 1.00 0.00 H new ATOM 0 HG12 VAL A 10 38.990 0.585 -31.630 1.00 0.00 H new ATOM 0 HG13 VAL A 10 37.597 -0.444 -31.217 1.00 0.00 H new ATOM 0 HG21 VAL A 10 38.353 -0.766 -28.243 1.00 0.00 H new ATOM 0 HG22 VAL A 10 37.842 -2.118 -29.280 1.00 0.00 H new ATOM 0 HG23 VAL A 10 39.397 -2.197 -28.418 1.00 0.00 H new ATOM 135 N VAL A 11 40.649 -1.848 -33.407 1.00 0.00 N ATOM 136 CA VAL A 11 41.381 -1.299 -34.541 1.00 0.00 C ATOM 137 C VAL A 11 40.674 -0.079 -35.115 1.00 0.00 C ATOM 138 O VAL A 11 39.876 -0.191 -36.047 1.00 0.00 O ATOM 139 CB VAL A 11 41.562 -2.345 -35.656 1.00 0.00 C ATOM 140 CG1 VAL A 11 42.787 -2.022 -36.497 1.00 0.00 C ATOM 141 CG2 VAL A 11 41.665 -3.743 -35.066 1.00 0.00 C ATOM 0 H VAL A 11 40.111 -2.689 -33.619 1.00 0.00 H new ATOM 0 HA VAL A 11 42.362 -1.005 -34.168 1.00 0.00 H new ATOM 0 HB VAL A 11 40.686 -2.313 -36.304 1.00 0.00 H new ATOM 0 HG11 VAL A 11 42.899 -2.772 -37.280 1.00 0.00 H new ATOM 0 HG12 VAL A 11 42.667 -1.038 -36.951 1.00 0.00 H new ATOM 0 HG13 VAL A 11 43.674 -2.024 -35.864 1.00 0.00 H new ATOM 0 HG21 VAL A 11 41.793 -4.469 -35.869 1.00 0.00 H new ATOM 0 HG22 VAL A 11 42.521 -3.792 -34.394 1.00 0.00 H new ATOM 0 HG23 VAL A 11 40.755 -3.972 -34.512 1.00 0.00 H new ATOM 151 N TYR A 12 40.976 1.087 -34.556 1.00 0.00 N ATOM 152 CA TYR A 12 40.374 2.331 -35.015 1.00 0.00 C ATOM 153 C TYR A 12 40.948 2.734 -36.368 1.00 0.00 C ATOM 154 O TYR A 12 41.868 2.097 -36.875 1.00 0.00 O ATOM 155 CB TYR A 12 40.609 3.445 -33.994 1.00 0.00 C ATOM 156 CG TYR A 12 39.725 3.342 -32.772 1.00 0.00 C ATOM 157 CD1 TYR A 12 38.402 3.767 -32.810 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.212 2.818 -31.581 1.00 0.00 C ATOM 159 CE1 TYR A 12 37.591 3.673 -31.696 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.406 2.720 -30.462 1.00 0.00 C ATOM 161 CZ TYR A 12 38.097 3.149 -30.525 1.00 0.00 C ATOM 162 OH TYR A 12 37.291 3.054 -29.413 1.00 0.00 O ATOM 0 H TYR A 12 41.634 1.196 -33.784 1.00 0.00 H new ATOM 0 HA TYR A 12 39.301 2.173 -35.123 1.00 0.00 H new ATOM 0 HB2 TYR A 12 41.653 3.424 -33.680 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.440 4.409 -34.475 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.002 4.177 -33.725 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.237 2.482 -31.528 1.00 0.00 H new ATOM 0 HE1 TYR A 12 36.565 4.008 -31.742 1.00 0.00 H new ATOM 0 HE2 TYR A 12 39.799 2.310 -29.544 1.00 0.00 H new ATOM 0 HH TYR A 12 37.166 3.944 -29.023 1.00 0.00 H new ATOM 172 N SER A 13 40.402 3.796 -36.948 1.00 0.00 N ATOM 173 CA SER A 13 40.868 4.275 -38.242 1.00 0.00 C ATOM 174 C SER A 13 41.064 5.784 -38.226 1.00 0.00 C ATOM 175 O SER A 13 40.310 6.512 -37.579 1.00 0.00 O ATOM 176 CB SER A 13 39.881 3.882 -39.340 1.00 0.00 C ATOM 177 OG SER A 13 39.822 2.475 -39.496 1.00 0.00 O ATOM 0 H SER A 13 39.639 4.340 -36.544 1.00 0.00 H new ATOM 0 HA SER A 13 41.831 3.809 -38.449 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.890 4.265 -39.096 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.178 4.343 -40.282 1.00 0.00 H new ATOM 0 HG SER A 13 40.666 2.077 -39.197 1.00 0.00 H new ATOM 183 N VAL A 14 42.084 6.248 -38.936 1.00 0.00 N ATOM 184 CA VAL A 14 42.386 7.670 -39.000 1.00 0.00 C ATOM 185 C VAL A 14 41.182 8.472 -39.477 1.00 0.00 C ATOM 186 O VAL A 14 41.044 8.757 -40.666 1.00 0.00 O ATOM 187 CB VAL A 14 43.577 7.951 -39.934 1.00 0.00 C ATOM 188 CG1 VAL A 14 43.372 7.277 -41.282 1.00 0.00 C ATOM 189 CG2 VAL A 14 43.778 9.450 -40.105 1.00 0.00 C ATOM 0 H VAL A 14 42.717 5.658 -39.476 1.00 0.00 H new ATOM 0 HA VAL A 14 42.645 7.980 -37.988 1.00 0.00 H new ATOM 0 HB VAL A 14 44.476 7.535 -39.480 1.00 0.00 H new ATOM 0 HG11 VAL A 14 44.225 7.488 -41.928 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.282 6.200 -41.140 1.00 0.00 H new ATOM 0 HG13 VAL A 14 42.463 7.660 -41.746 1.00 0.00 H new ATOM 0 HG21 VAL A 14 44.624 9.630 -40.768 1.00 0.00 H new ATOM 0 HG22 VAL A 14 42.879 9.891 -40.536 1.00 0.00 H new ATOM 0 HG23 VAL A 14 43.975 9.904 -39.134 1.00 0.00 H new ATOM 199 N GLY A 15 40.315 8.838 -38.540 1.00 0.00 N ATOM 200 CA GLY A 15 39.136 9.610 -38.883 1.00 0.00 C ATOM 201 C GLY A 15 37.869 9.055 -38.263 1.00 0.00 C ATOM 202 O GLY A 15 36.776 9.561 -38.518 1.00 0.00 O ATOM 0 H GLY A 15 40.408 8.614 -37.549 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.274 10.640 -38.555 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.025 9.632 -39.967 1.00 0.00 H new ATOM 206 N MET A 16 38.012 8.017 -37.447 1.00 0.00 N ATOM 207 CA MET A 16 36.863 7.402 -36.793 1.00 0.00 C ATOM 208 C MET A 16 36.416 8.229 -35.593 1.00 0.00 C ATOM 209 O MET A 16 35.220 8.373 -35.337 1.00 0.00 O ATOM 210 CB MET A 16 37.201 5.978 -36.351 1.00 0.00 C ATOM 211 CG MET A 16 36.550 4.905 -37.207 1.00 0.00 C ATOM 212 SD MET A 16 35.428 3.851 -36.268 1.00 0.00 S ATOM 213 CE MET A 16 36.547 2.558 -35.734 1.00 0.00 C ATOM 0 H MET A 16 38.908 7.585 -37.223 1.00 0.00 H new ATOM 0 HA MET A 16 36.044 7.364 -37.511 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.283 5.845 -36.377 1.00 0.00 H new ATOM 0 HB3 MET A 16 36.889 5.844 -35.315 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.001 5.379 -38.021 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.326 4.289 -37.662 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.157 1.589 -36.045 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.527 2.716 -36.184 1.00 0.00 H new ATOM 0 HE3 MET A 16 36.638 2.581 -34.648 1.00 0.00 H new ATOM 223 N GLN A 17 37.383 8.767 -34.858 1.00 0.00 N ATOM 224 CA GLN A 17 37.090 9.577 -33.680 1.00 0.00 C ATOM 225 C GLN A 17 36.177 8.824 -32.721 1.00 0.00 C ATOM 226 O GLN A 17 35.013 8.566 -33.027 1.00 0.00 O ATOM 227 CB GLN A 17 36.442 10.901 -34.090 1.00 0.00 C ATOM 228 CG GLN A 17 37.331 12.110 -33.850 1.00 0.00 C ATOM 229 CD GLN A 17 36.555 13.317 -33.360 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.349 13.241 -33.125 1.00 0.00 O ATOM 231 NE2 GLN A 17 37.246 14.441 -33.204 1.00 0.00 N ATOM 0 H GLN A 17 38.377 8.657 -35.057 1.00 0.00 H new ATOM 0 HA GLN A 17 38.030 9.787 -33.170 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.180 10.856 -35.147 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.512 11.028 -33.536 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.097 11.854 -33.118 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.847 12.366 -34.775 1.00 0.00 H new ATOM 0 HE21 GLN A 17 38.245 14.459 -33.411 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.778 15.286 -32.877 1.00 0.00 H new ATOM 240 N TRP A 18 36.714 8.469 -31.559 1.00 0.00 N ATOM 241 CA TRP A 18 35.950 7.739 -30.556 1.00 0.00 C ATOM 242 C TRP A 18 36.163 8.333 -29.166 1.00 0.00 C ATOM 243 O TRP A 18 36.683 9.440 -29.023 1.00 0.00 O ATOM 244 CB TRP A 18 36.353 6.266 -30.563 1.00 0.00 C ATOM 245 CG TRP A 18 37.792 6.055 -30.214 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.296 5.716 -28.992 1.00 0.00 C ATOM 247 CD2 TRP A 18 38.916 6.179 -31.094 1.00 0.00 C ATOM 248 NE1 TRP A 18 39.662 5.620 -29.057 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.068 5.899 -30.337 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.061 6.497 -32.449 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.347 5.931 -30.888 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.330 6.527 -32.995 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.459 6.246 -32.216 1.00 0.00 C ATOM 0 H TRP A 18 37.676 8.675 -31.289 1.00 0.00 H new ATOM 0 HA TRP A 18 34.892 7.824 -30.804 1.00 0.00 H new ATOM 0 HB2 TRP A 18 35.729 5.720 -29.855 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.158 5.846 -31.550 1.00 0.00 H new ATOM 0 HD1 TRP A 18 37.705 5.548 -28.104 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.277 5.380 -28.279 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.196 6.715 -33.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.219 5.715 -30.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.453 6.771 -34.040 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.438 6.278 -32.672 1.00 0.00 H new ATOM 264 N LEU A 19 35.760 7.587 -28.144 1.00 0.00 N ATOM 265 CA LEU A 19 35.904 8.035 -26.764 1.00 0.00 C ATOM 266 C LEU A 19 36.553 6.953 -25.912 1.00 0.00 C ATOM 267 O LEU A 19 35.944 5.920 -25.631 1.00 0.00 O ATOM 268 CB LEU A 19 34.539 8.410 -26.180 1.00 0.00 C ATOM 269 CG LEU A 19 34.574 9.474 -25.080 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.464 10.870 -25.675 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.460 9.235 -24.073 1.00 0.00 C ATOM 0 H LEU A 19 35.330 6.668 -28.245 1.00 0.00 H new ATOM 0 HA LEU A 19 36.546 8.916 -26.758 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.901 8.766 -26.988 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.073 7.510 -25.779 1.00 0.00 H new ATOM 0 HG LEU A 19 35.531 9.399 -24.563 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.491 11.610 -24.875 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.297 11.042 -26.356 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.525 10.960 -26.221 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.500 10.000 -23.298 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.496 9.281 -24.579 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.585 8.252 -23.619 1.00 0.00 H new ATOM 283 N LYS A 20 37.793 7.194 -25.507 1.00 0.00 N ATOM 284 CA LYS A 20 38.526 6.236 -24.690 1.00 0.00 C ATOM 285 C LYS A 20 38.119 6.340 -23.223 1.00 0.00 C ATOM 286 O LYS A 20 37.827 7.428 -22.725 1.00 0.00 O ATOM 287 CB LYS A 20 40.030 6.465 -24.833 1.00 0.00 C ATOM 288 CG LYS A 20 40.870 5.334 -24.272 1.00 0.00 C ATOM 289 CD LYS A 20 40.802 4.098 -25.154 1.00 0.00 C ATOM 290 CE LYS A 20 40.139 2.936 -24.431 1.00 0.00 C ATOM 291 NZ LYS A 20 40.834 1.646 -24.702 1.00 0.00 N ATOM 0 H LYS A 20 38.312 8.043 -25.730 1.00 0.00 H new ATOM 0 HA LYS A 20 38.281 5.234 -25.041 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.271 6.597 -25.888 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.298 7.392 -24.326 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.906 5.660 -24.180 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.524 5.086 -23.269 1.00 0.00 H new ATOM 0 HD2 LYS A 20 40.246 4.328 -26.063 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.808 3.812 -25.460 1.00 0.00 H new ATOM 0 HE2 LYS A 20 40.137 3.129 -23.358 1.00 0.00 H new ATOM 0 HE3 LYS A 20 39.097 2.860 -24.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 40.590 0.958 -23.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 40.535 1.278 -25.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 41.863 1.800 -24.706 1.00 0.00 H new ATOM 379 N GLN A 26 37.594 9.813 -18.487 1.00 0.00 N ATOM 380 CA GLN A 26 37.246 9.730 -19.901 1.00 0.00 C ATOM 381 C GLN A 26 38.143 10.639 -20.733 1.00 0.00 C ATOM 382 O GLN A 26 38.785 11.547 -20.207 1.00 0.00 O ATOM 383 CB GLN A 26 35.781 10.116 -20.112 1.00 0.00 C ATOM 384 CG GLN A 26 34.826 9.439 -19.143 1.00 0.00 C ATOM 385 CD GLN A 26 34.979 9.945 -17.723 1.00 0.00 C ATOM 386 OE1 GLN A 26 35.585 10.991 -17.486 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.429 9.206 -16.767 1.00 0.00 N ATOM 0 HA GLN A 26 37.395 8.700 -20.226 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.681 11.197 -20.012 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.491 9.862 -21.132 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.801 9.604 -19.475 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.998 8.363 -19.162 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.936 8.346 -17.007 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.500 9.498 -15.792 1.00 0.00 H new ATOM 396 N MET A 27 38.179 10.389 -22.037 1.00 0.00 N ATOM 397 CA MET A 27 38.995 11.186 -22.945 1.00 0.00 C ATOM 398 C MET A 27 38.725 10.796 -24.394 1.00 0.00 C ATOM 399 O MET A 27 38.812 9.623 -24.756 1.00 0.00 O ATOM 400 CB MET A 27 40.479 11.003 -22.624 1.00 0.00 C ATOM 401 CG MET A 27 41.066 12.138 -21.802 1.00 0.00 C ATOM 402 SD MET A 27 42.834 12.356 -22.079 1.00 0.00 S ATOM 403 CE MET A 27 43.488 10.918 -21.235 1.00 0.00 C ATOM 0 H MET A 27 37.653 9.641 -22.489 1.00 0.00 H new ATOM 0 HA MET A 27 38.729 12.235 -22.811 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.613 10.066 -22.083 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.036 10.915 -23.557 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.547 13.065 -22.047 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.889 11.944 -20.744 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.575 10.911 -21.317 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.204 10.953 -20.183 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.084 10.014 -21.690 1.00 0.00 H new ATOM 413 N LEU A 28 38.403 11.786 -25.222 1.00 0.00 N ATOM 414 CA LEU A 28 38.131 11.533 -26.632 1.00 0.00 C ATOM 415 C LEU A 28 39.430 11.213 -27.360 1.00 0.00 C ATOM 416 O LEU A 28 40.356 12.024 -27.372 1.00 0.00 O ATOM 417 CB LEU A 28 37.453 12.743 -27.275 1.00 0.00 C ATOM 418 CG LEU A 28 36.926 12.512 -28.691 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.443 12.176 -28.661 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.181 13.735 -29.560 1.00 0.00 C ATOM 0 H LEU A 28 38.325 12.764 -24.943 1.00 0.00 H new ATOM 0 HA LEU A 28 37.457 10.680 -26.709 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.623 13.055 -26.641 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.164 13.569 -27.298 1.00 0.00 H new ATOM 0 HG LEU A 28 37.460 11.666 -29.124 1.00 0.00 H new ATOM 0 HD11 LEU A 28 35.086 12.015 -29.678 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.287 11.271 -28.074 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.892 13.001 -28.209 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.800 13.553 -30.565 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.674 14.599 -29.130 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.252 13.930 -29.608 1.00 0.00 H new ATOM 432 N CYS A 29 39.505 10.025 -27.949 1.00 0.00 N ATOM 433 CA CYS A 29 40.711 9.611 -28.657 1.00 0.00 C ATOM 434 C CYS A 29 40.501 9.580 -30.160 1.00 0.00 C ATOM 435 O CYS A 29 39.465 9.129 -30.650 1.00 0.00 O ATOM 436 CB CYS A 29 41.182 8.249 -28.154 1.00 0.00 C ATOM 437 SG CYS A 29 42.995 8.056 -28.138 1.00 0.00 S ATOM 0 H CYS A 29 38.752 9.337 -27.951 1.00 0.00 H new ATOM 0 HA CYS A 29 41.484 10.351 -28.451 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.801 8.093 -27.145 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.749 7.471 -28.782 1.00 0.00 H new ATOM 442 N THR A 30 41.498 10.073 -30.883 1.00 0.00 N ATOM 443 CA THR A 30 41.435 10.118 -32.342 1.00 0.00 C ATOM 444 C THR A 30 42.668 9.497 -32.990 1.00 0.00 C ATOM 445 O THR A 30 43.726 9.386 -32.369 1.00 0.00 O ATOM 446 CB THR A 30 41.295 11.563 -32.856 1.00 0.00 C ATOM 447 OG1 THR A 30 40.070 12.137 -32.385 1.00 0.00 O ATOM 448 CG2 THR A 30 41.327 11.601 -34.379 1.00 0.00 C ATOM 0 H THR A 30 42.360 10.447 -30.486 1.00 0.00 H new ATOM 0 HA THR A 30 40.554 9.539 -32.620 1.00 0.00 H new ATOM 0 HB THR A 30 42.136 12.143 -32.475 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.991 13.056 -32.716 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.227 12.632 -34.719 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.273 11.192 -34.733 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.504 11.006 -34.775 1.00 0.00 H new ATOM 456 N CYS A 31 42.519 9.111 -34.254 1.00 0.00 N ATOM 457 CA CYS A 31 43.612 8.518 -35.017 1.00 0.00 C ATOM 458 C CYS A 31 44.048 9.475 -36.122 1.00 0.00 C ATOM 459 O CYS A 31 43.307 9.723 -37.072 1.00 0.00 O ATOM 460 CB CYS A 31 43.177 7.175 -35.614 1.00 0.00 C ATOM 461 SG CYS A 31 44.308 6.514 -36.884 1.00 0.00 S ATOM 0 H CYS A 31 41.646 9.199 -34.774 1.00 0.00 H new ATOM 0 HA CYS A 31 44.455 8.340 -34.350 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.087 6.445 -34.809 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.185 7.290 -36.052 1.00 0.00 H new ATOM 466 N LEU A 32 45.247 10.023 -35.982 1.00 0.00 N ATOM 467 CA LEU A 32 45.771 10.967 -36.965 1.00 0.00 C ATOM 468 C LEU A 32 46.443 10.240 -38.123 1.00 0.00 C ATOM 469 O LEU A 32 46.032 10.369 -39.275 1.00 0.00 O ATOM 470 CB LEU A 32 46.763 11.932 -36.308 1.00 0.00 C ATOM 471 CG LEU A 32 47.433 11.414 -35.034 1.00 0.00 C ATOM 472 CD1 LEU A 32 48.828 12.001 -34.888 1.00 0.00 C ATOM 473 CD2 LEU A 32 46.583 11.741 -33.814 1.00 0.00 C ATOM 0 H LEU A 32 45.875 9.833 -35.201 1.00 0.00 H new ATOM 0 HA LEU A 32 44.929 11.536 -37.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.539 12.178 -37.033 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.241 12.859 -36.073 1.00 0.00 H new ATOM 0 HG LEU A 32 47.524 10.330 -35.108 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.289 11.621 -33.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.435 11.716 -35.747 1.00 0.00 H new ATOM 0 HD13 LEU A 32 48.762 13.088 -34.836 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.075 11.365 -32.917 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.460 12.821 -33.735 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.605 11.271 -33.916 1.00 0.00 H new ATOM 485 N GLY A 33 47.478 9.478 -37.806 1.00 0.00 N ATOM 486 CA GLY A 33 48.199 8.738 -38.826 1.00 0.00 C ATOM 487 C GLY A 33 49.421 8.042 -38.270 1.00 0.00 C ATOM 488 O GLY A 33 49.612 6.844 -38.476 1.00 0.00 O ATOM 0 H GLY A 33 47.834 9.357 -36.858 1.00 0.00 H new ATOM 0 HA2 GLY A 33 47.535 7.999 -39.274 1.00 0.00 H new ATOM 0 HA3 GLY A 33 48.501 9.419 -39.621 1.00 0.00 H new ATOM 492 N ASN A 34 50.243 8.795 -37.552 1.00 0.00 N ATOM 493 CA ASN A 34 51.449 8.248 -36.950 1.00 0.00 C ATOM 494 C ASN A 34 51.108 7.516 -35.659 1.00 0.00 C ATOM 495 O ASN A 34 51.906 6.732 -35.144 1.00 0.00 O ATOM 496 CB ASN A 34 52.458 9.363 -36.668 1.00 0.00 C ATOM 497 CG ASN A 34 51.846 10.515 -35.896 1.00 0.00 C ATOM 498 OD1 ASN A 34 50.986 11.232 -36.406 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.288 10.697 -34.657 1.00 0.00 N ATOM 0 H ASN A 34 50.095 9.788 -37.373 1.00 0.00 H new ATOM 0 HA ASN A 34 51.895 7.541 -37.650 1.00 0.00 H new ATOM 0 HB2 ASN A 34 53.297 8.956 -36.103 1.00 0.00 H new ATOM 0 HB3 ASN A 34 52.859 9.734 -37.611 1.00 0.00 H new ATOM 0 HD21 ASN A 34 51.913 11.456 -34.088 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.003 10.078 -34.274 1.00 0.00 H new ATOM 506 N GLY A 35 49.911 7.779 -35.141 1.00 0.00 N ATOM 507 CA GLY A 35 49.473 7.140 -33.917 1.00 0.00 C ATOM 508 C GLY A 35 48.067 7.552 -33.531 1.00 0.00 C ATOM 509 O GLY A 35 47.281 7.974 -34.379 1.00 0.00 O ATOM 0 H GLY A 35 49.237 8.426 -35.550 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.512 6.058 -34.039 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.160 7.395 -33.110 1.00 0.00 H new ATOM 513 N VAL A 36 47.749 7.433 -32.248 1.00 0.00 N ATOM 514 CA VAL A 36 46.428 7.799 -31.754 1.00 0.00 C ATOM 515 C VAL A 36 46.544 8.698 -30.526 1.00 0.00 C ATOM 516 O VAL A 36 47.225 8.362 -29.557 1.00 0.00 O ATOM 517 CB VAL A 36 45.590 6.541 -31.422 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.549 6.825 -30.346 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.923 6.013 -32.679 1.00 0.00 C ATOM 0 H VAL A 36 48.387 7.086 -31.532 1.00 0.00 H new ATOM 0 HA VAL A 36 45.916 8.350 -32.543 1.00 0.00 H new ATOM 0 HB VAL A 36 46.267 5.782 -31.030 1.00 0.00 H new ATOM 0 HG11 VAL A 36 43.981 5.918 -30.141 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.048 7.155 -29.435 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.872 7.606 -30.692 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.336 5.128 -32.435 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.268 6.780 -33.093 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.685 5.752 -33.413 1.00 0.00 H new ATOM 529 N SER A 37 45.875 9.845 -30.578 1.00 0.00 N ATOM 530 CA SER A 37 45.903 10.796 -29.476 1.00 0.00 C ATOM 531 C SER A 37 44.492 11.107 -28.988 1.00 0.00 C ATOM 532 O SER A 37 43.547 11.156 -29.776 1.00 0.00 O ATOM 533 CB SER A 37 46.602 12.087 -29.908 1.00 0.00 C ATOM 534 OG SER A 37 47.107 12.794 -28.788 1.00 0.00 O ATOM 0 H SER A 37 45.307 10.137 -31.373 1.00 0.00 H new ATOM 0 HA SER A 37 46.460 10.346 -28.654 1.00 0.00 H new ATOM 0 HB2 SER A 37 47.418 11.851 -30.591 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.901 12.718 -30.454 1.00 0.00 H new ATOM 0 HG SER A 37 47.550 13.614 -29.091 1.00 0.00 H new ATOM 540 N CYS A 38 44.360 11.315 -27.684 1.00 0.00 N ATOM 541 CA CYS A 38 43.066 11.621 -27.084 1.00 0.00 C ATOM 542 C CYS A 38 43.164 12.846 -26.184 1.00 0.00 C ATOM 543 O CYS A 38 44.183 13.071 -25.531 1.00 0.00 O ATOM 544 CB CYS A 38 42.550 10.427 -26.278 1.00 0.00 C ATOM 545 SG CYS A 38 43.576 8.924 -26.397 1.00 0.00 S ATOM 0 H CYS A 38 45.134 11.277 -27.020 1.00 0.00 H new ATOM 0 HA CYS A 38 42.364 11.833 -27.891 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.477 10.718 -25.230 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.541 10.189 -26.614 1.00 0.00 H new ATOM 550 N GLN A 39 42.096 13.633 -26.154 1.00 0.00 N ATOM 551 CA GLN A 39 42.055 14.835 -25.333 1.00 0.00 C ATOM 552 C GLN A 39 40.950 14.737 -24.288 1.00 0.00 C ATOM 553 O GLN A 39 40.019 13.945 -24.428 1.00 0.00 O ATOM 554 CB GLN A 39 41.837 16.070 -26.208 1.00 0.00 C ATOM 555 CG GLN A 39 43.082 16.512 -26.959 1.00 0.00 C ATOM 556 CD GLN A 39 42.766 17.443 -28.114 1.00 0.00 C ATOM 557 OE1 GLN A 39 42.957 17.093 -29.278 1.00 0.00 O ATOM 558 NE2 GLN A 39 42.281 18.637 -27.796 1.00 0.00 N ATOM 0 H GLN A 39 41.246 13.460 -26.690 1.00 0.00 H new ATOM 0 HA GLN A 39 43.012 14.929 -24.820 1.00 0.00 H new ATOM 0 HB2 GLN A 39 41.045 15.860 -26.927 1.00 0.00 H new ATOM 0 HB3 GLN A 39 41.490 16.892 -25.582 1.00 0.00 H new ATOM 0 HG2 GLN A 39 43.760 17.013 -26.268 1.00 0.00 H new ATOM 0 HG3 GLN A 39 43.605 15.634 -27.338 1.00 0.00 H new ATOM 0 HE21 GLN A 39 42.138 18.885 -26.817 1.00 0.00 H new ATOM 0 HE22 GLN A 39 42.051 19.306 -28.531 1.00 0.00 H new ATOM 636 N GLN A 45 28.565 21.787 -17.372 1.00 0.00 N ATOM 637 CA GLN A 45 27.667 21.830 -16.224 1.00 0.00 C ATOM 638 C GLN A 45 26.213 21.677 -16.660 1.00 0.00 C ATOM 639 O GLN A 45 25.688 22.500 -17.409 1.00 0.00 O ATOM 640 CB GLN A 45 27.846 23.145 -15.462 1.00 0.00 C ATOM 641 CG GLN A 45 29.288 23.621 -15.401 1.00 0.00 C ATOM 642 CD GLN A 45 29.418 25.013 -14.812 1.00 0.00 C ATOM 643 OE1 GLN A 45 28.706 25.936 -15.208 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.333 25.170 -13.863 1.00 0.00 N ATOM 0 HA GLN A 45 27.918 20.997 -15.567 1.00 0.00 H new ATOM 0 HB2 GLN A 45 27.238 23.915 -15.936 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.470 23.021 -14.447 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.873 22.922 -14.804 1.00 0.00 H new ATOM 0 HG3 GLN A 45 29.712 23.614 -16.405 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.901 24.377 -13.566 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.468 26.084 -13.431 1.00 0.00 H new ATOM 653 N THR A 46 25.566 20.620 -16.180 1.00 0.00 N ATOM 654 CA THR A 46 24.171 20.360 -16.515 1.00 0.00 C ATOM 655 C THR A 46 23.238 21.026 -15.509 1.00 0.00 C ATOM 656 O THR A 46 23.556 21.126 -14.325 1.00 0.00 O ATOM 657 CB THR A 46 23.872 18.851 -16.554 1.00 0.00 C ATOM 658 OG1 THR A 46 24.397 18.214 -15.382 1.00 0.00 O ATOM 659 CG2 THR A 46 24.476 18.211 -17.796 1.00 0.00 C ATOM 0 H THR A 46 25.986 19.930 -15.558 1.00 0.00 H new ATOM 0 HA THR A 46 23.998 20.779 -17.506 1.00 0.00 H new ATOM 0 HB THR A 46 22.790 18.720 -16.584 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.200 17.255 -15.415 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.252 17.144 -17.801 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.053 18.675 -18.687 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.557 18.354 -17.790 1.00 0.00 H new ATOM 667 N TYR A 47 22.087 21.485 -15.989 1.00 0.00 N ATOM 668 CA TYR A 47 21.113 22.148 -15.128 1.00 0.00 C ATOM 669 C TYR A 47 19.692 21.932 -15.639 1.00 0.00 C ATOM 670 O TYR A 47 19.410 22.124 -16.821 1.00 0.00 O ATOM 671 CB TYR A 47 21.414 23.645 -15.049 1.00 0.00 C ATOM 672 CG TYR A 47 21.428 24.327 -16.398 1.00 0.00 C ATOM 673 CD1 TYR A 47 20.251 24.780 -16.981 1.00 0.00 C ATOM 674 CD2 TYR A 47 22.618 24.517 -17.090 1.00 0.00 C ATOM 675 CE1 TYR A 47 20.259 25.401 -18.215 1.00 0.00 C ATOM 676 CE2 TYR A 47 22.634 25.138 -18.324 1.00 0.00 C ATOM 677 CZ TYR A 47 21.453 25.577 -18.883 1.00 0.00 C ATOM 678 OH TYR A 47 21.465 26.194 -20.112 1.00 0.00 O ATOM 0 H TYR A 47 21.806 21.411 -16.967 1.00 0.00 H new ATOM 0 HA TYR A 47 21.190 21.711 -14.132 1.00 0.00 H new ATOM 0 HB2 TYR A 47 20.668 24.125 -14.415 1.00 0.00 H new ATOM 0 HB3 TYR A 47 22.381 23.789 -14.568 1.00 0.00 H new ATOM 0 HD1 TYR A 47 19.314 24.644 -16.461 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.545 24.174 -16.656 1.00 0.00 H new ATOM 0 HE1 TYR A 47 19.335 25.747 -18.654 1.00 0.00 H new ATOM 0 HE2 TYR A 47 23.568 25.279 -18.848 1.00 0.00 H new ATOM 0 HH TYR A 47 22.385 26.240 -20.446 1.00 0.00 H new ATOM 688 N GLY A 48 18.799 21.536 -14.737 1.00 0.00 N ATOM 689 CA GLY A 48 17.417 21.306 -15.110 1.00 0.00 C ATOM 690 C GLY A 48 17.266 20.220 -16.155 1.00 0.00 C ATOM 691 O GLY A 48 18.019 19.245 -16.160 1.00 0.00 O ATOM 0 H GLY A 48 19.010 21.370 -13.753 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.846 21.032 -14.223 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.989 22.233 -15.491 1.00 0.00 H new ATOM 695 N GLY A 49 16.290 20.388 -17.040 1.00 0.00 N ATOM 696 CA GLY A 49 16.056 19.406 -18.082 1.00 0.00 C ATOM 697 C GLY A 49 14.898 18.485 -17.754 1.00 0.00 C ATOM 698 O GLY A 49 13.923 18.901 -17.131 1.00 0.00 O ATOM 0 H GLY A 49 15.656 21.187 -17.054 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.855 19.918 -19.023 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.959 18.813 -18.229 1.00 0.00 H new ATOM 702 N ASN A 50 15.007 17.228 -18.174 1.00 0.00 N ATOM 703 CA ASN A 50 13.959 16.247 -17.917 1.00 0.00 C ATOM 704 C ASN A 50 14.194 15.540 -16.588 1.00 0.00 C ATOM 705 O ASN A 50 13.302 14.874 -16.061 1.00 0.00 O ATOM 706 CB ASN A 50 13.903 15.221 -19.051 1.00 0.00 C ATOM 707 CG ASN A 50 12.506 14.675 -19.268 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.118 13.674 -18.665 1.00 0.00 O ATOM 709 ND2 ASN A 50 11.741 15.330 -20.134 1.00 0.00 N ATOM 0 H ASN A 50 15.808 16.866 -18.692 1.00 0.00 H new ATOM 0 HA ASN A 50 13.006 16.773 -17.866 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.257 15.683 -19.973 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.581 14.398 -18.826 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.792 15.008 -20.321 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.103 16.155 -20.612 1.00 0.00 H new ATOM 716 N SER A 51 15.400 15.687 -16.050 1.00 0.00 N ATOM 717 CA SER A 51 15.751 15.062 -14.780 1.00 0.00 C ATOM 718 C SER A 51 15.952 16.111 -13.692 1.00 0.00 C ATOM 719 O SER A 51 15.106 16.277 -12.814 1.00 0.00 O ATOM 720 CB SER A 51 17.017 14.212 -14.935 1.00 0.00 C ATOM 721 OG SER A 51 17.123 13.262 -13.890 1.00 0.00 O ATOM 0 H SER A 51 16.150 16.233 -16.473 1.00 0.00 H new ATOM 0 HA SER A 51 14.926 14.415 -14.483 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.999 13.699 -15.897 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.895 14.858 -14.934 1.00 0.00 H new ATOM 0 HG SER A 51 17.938 12.731 -14.012 1.00 0.00 H new ATOM 727 N ASN A 52 17.075 16.816 -13.761 1.00 0.00 N ATOM 728 CA ASN A 52 17.398 17.853 -12.788 1.00 0.00 C ATOM 729 C ASN A 52 18.797 18.402 -13.041 1.00 0.00 C ATOM 730 O ASN A 52 19.071 19.576 -12.789 1.00 0.00 O ATOM 731 CB ASN A 52 17.309 17.301 -11.363 1.00 0.00 C ATOM 732 CG ASN A 52 17.334 18.397 -10.316 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.301 18.983 -9.990 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.517 18.681 -9.783 1.00 0.00 N ATOM 0 H ASN A 52 17.781 16.687 -14.485 1.00 0.00 H new ATOM 0 HA ASN A 52 16.674 18.660 -12.899 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.392 16.722 -11.257 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.139 16.617 -11.189 1.00 0.00 H new ATOM 0 HD21 ASN A 52 18.595 19.410 -9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 52 19.347 18.170 -10.083 1.00 0.00 H new ATOM 741 N GLY A 53 19.678 17.542 -13.539 1.00 0.00 N ATOM 742 CA GLY A 53 21.041 17.952 -13.819 1.00 0.00 C ATOM 743 C GLY A 53 22.059 16.922 -13.369 1.00 0.00 C ATOM 744 O GLY A 53 22.819 17.160 -12.430 1.00 0.00 O ATOM 0 H GLY A 53 19.472 16.566 -13.754 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.153 18.126 -14.889 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.242 18.900 -13.320 1.00 0.00 H new ATOM 748 N GLU A 54 22.074 15.775 -14.039 1.00 0.00 N ATOM 749 CA GLU A 54 23.005 14.704 -13.700 1.00 0.00 C ATOM 750 C GLU A 54 23.915 14.382 -14.884 1.00 0.00 C ATOM 751 O GLU A 54 23.671 14.825 -16.007 1.00 0.00 O ATOM 752 CB GLU A 54 22.233 13.454 -13.252 1.00 0.00 C ATOM 753 CG GLU A 54 22.121 12.371 -14.314 1.00 0.00 C ATOM 754 CD GLU A 54 21.169 11.260 -13.918 1.00 0.00 C ATOM 755 OE1 GLU A 54 20.018 11.568 -13.546 1.00 0.00 O ATOM 756 OE2 GLU A 54 21.575 10.080 -13.979 1.00 0.00 O ATOM 0 H GLU A 54 21.453 15.563 -14.820 1.00 0.00 H new ATOM 0 HA GLU A 54 23.633 15.039 -12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 54 22.723 13.035 -12.373 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.230 13.751 -12.946 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.783 12.818 -15.249 1.00 0.00 H new ATOM 0 HG3 GLU A 54 23.108 11.948 -14.502 1.00 0.00 H new ATOM 763 N PRO A 55 24.976 13.599 -14.643 1.00 0.00 N ATOM 764 CA PRO A 55 25.926 13.210 -15.687 1.00 0.00 C ATOM 765 C PRO A 55 25.226 12.770 -16.968 1.00 0.00 C ATOM 766 O PRO A 55 24.071 12.342 -16.940 1.00 0.00 O ATOM 767 CB PRO A 55 26.674 12.041 -15.051 1.00 0.00 C ATOM 768 CG PRO A 55 26.639 12.328 -13.589 1.00 0.00 C ATOM 769 CD PRO A 55 25.330 13.028 -13.331 1.00 0.00 C ATOM 0 HA PRO A 55 26.572 14.034 -15.990 1.00 0.00 H new ATOM 0 HB2 PRO A 55 26.193 11.090 -15.281 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.698 11.978 -15.419 1.00 0.00 H new ATOM 0 HG2 PRO A 55 26.709 11.407 -13.010 1.00 0.00 H new ATOM 0 HG3 PRO A 55 27.481 12.955 -13.295 1.00 0.00 H new ATOM 0 HD2 PRO A 55 24.568 12.334 -12.977 1.00 0.00 H new ATOM 0 HD3 PRO A 55 25.433 13.803 -12.571 1.00 0.00 H new ATOM 777 N CYS A 56 25.928 12.881 -18.090 1.00 0.00 N ATOM 778 CA CYS A 56 25.370 12.497 -19.383 1.00 0.00 C ATOM 779 C CYS A 56 25.716 11.050 -19.721 1.00 0.00 C ATOM 780 O CYS A 56 26.333 10.345 -18.922 1.00 0.00 O ATOM 781 CB CYS A 56 25.885 13.430 -20.480 1.00 0.00 C ATOM 782 SG CYS A 56 25.934 15.187 -19.999 1.00 0.00 S ATOM 0 H CYS A 56 26.884 13.234 -18.131 1.00 0.00 H new ATOM 0 HA CYS A 56 24.285 12.583 -19.322 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.888 13.115 -20.769 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.251 13.323 -21.360 1.00 0.00 H new ATOM 787 N VAL A 57 25.310 10.613 -20.910 1.00 0.00 N ATOM 788 CA VAL A 57 25.574 9.250 -21.354 1.00 0.00 C ATOM 789 C VAL A 57 26.011 9.221 -22.815 1.00 0.00 C ATOM 790 O VAL A 57 25.369 8.589 -23.654 1.00 0.00 O ATOM 791 CB VAL A 57 24.331 8.355 -21.186 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.261 8.724 -22.200 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.711 6.887 -21.315 1.00 0.00 C ATOM 0 H VAL A 57 24.797 11.184 -21.582 1.00 0.00 H new ATOM 0 HA VAL A 57 26.380 8.865 -20.729 1.00 0.00 H new ATOM 0 HB VAL A 57 23.923 8.518 -20.189 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.393 8.080 -22.063 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.967 9.764 -22.057 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.655 8.593 -23.208 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.821 6.269 -21.194 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.145 6.709 -22.299 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.439 6.631 -20.545 1.00 0.00 H new ATOM 803 N LEU A 58 27.107 9.907 -23.113 1.00 0.00 N ATOM 804 CA LEU A 58 27.628 9.954 -24.475 1.00 0.00 C ATOM 805 C LEU A 58 28.912 9.141 -24.595 1.00 0.00 C ATOM 806 O LEU A 58 29.490 8.721 -23.593 1.00 0.00 O ATOM 807 CB LEU A 58 27.882 11.401 -24.917 1.00 0.00 C ATOM 808 CG LEU A 58 27.881 12.451 -23.802 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.530 12.494 -23.103 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.997 12.175 -22.805 1.00 0.00 C ATOM 0 H LEU A 58 27.652 10.437 -22.433 1.00 0.00 H new ATOM 0 HA LEU A 58 26.875 9.517 -25.131 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.845 11.441 -25.427 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.122 11.676 -25.649 1.00 0.00 H new ATOM 0 HG LEU A 58 28.060 13.427 -24.252 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.552 13.247 -22.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.754 12.748 -23.826 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.315 11.518 -22.667 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.980 12.932 -22.021 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.853 11.190 -22.362 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.959 12.206 -23.317 1.00 0.00 H new ATOM 822 N PRO A 59 29.371 8.907 -25.834 1.00 0.00 N ATOM 823 CA PRO A 59 28.694 9.399 -27.037 1.00 0.00 C ATOM 824 C PRO A 59 27.407 8.639 -27.334 1.00 0.00 C ATOM 825 O PRO A 59 27.413 7.416 -27.474 1.00 0.00 O ATOM 826 CB PRO A 59 29.722 9.154 -28.142 1.00 0.00 C ATOM 827 CG PRO A 59 30.534 8.005 -27.652 1.00 0.00 C ATOM 828 CD PRO A 59 30.590 8.144 -26.155 1.00 0.00 C ATOM 0 HA PRO A 59 28.390 10.441 -26.936 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.237 8.921 -29.090 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.342 10.035 -28.309 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.080 7.056 -27.939 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.535 8.023 -28.083 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.597 7.172 -25.662 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.489 8.670 -25.834 1.00 0.00 H new ATOM 836 N PHE A 60 26.305 9.374 -27.436 1.00 0.00 N ATOM 837 CA PHE A 60 25.009 8.774 -27.725 1.00 0.00 C ATOM 838 C PHE A 60 24.616 9.028 -29.176 1.00 0.00 C ATOM 839 O PHE A 60 25.410 9.548 -29.960 1.00 0.00 O ATOM 840 CB PHE A 60 23.941 9.342 -26.788 1.00 0.00 C ATOM 841 CG PHE A 60 23.957 10.841 -26.705 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.636 11.612 -27.811 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.297 11.479 -25.523 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.654 12.992 -27.739 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.315 12.859 -25.445 1.00 0.00 C ATOM 846 CZ PHE A 60 23.994 13.616 -26.555 1.00 0.00 C ATOM 0 H PHE A 60 26.284 10.387 -27.323 1.00 0.00 H new ATOM 0 HA PHE A 60 25.084 7.698 -27.565 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.959 9.015 -27.128 1.00 0.00 H new ATOM 0 HB3 PHE A 60 24.087 8.929 -25.790 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.369 11.129 -28.739 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.551 10.892 -24.653 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.402 13.582 -28.608 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.580 13.345 -24.517 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.009 14.694 -26.497 1.00 0.00 H new ATOM 856 N THR A 61 23.388 8.667 -29.530 1.00 0.00 N ATOM 857 CA THR A 61 22.899 8.866 -30.889 1.00 0.00 C ATOM 858 C THR A 61 21.536 9.546 -30.889 1.00 0.00 C ATOM 859 O THR A 61 20.602 9.089 -30.230 1.00 0.00 O ATOM 860 CB THR A 61 22.794 7.532 -31.653 1.00 0.00 C ATOM 861 OG1 THR A 61 23.538 6.516 -30.971 1.00 0.00 O ATOM 862 CG2 THR A 61 23.314 7.682 -33.075 1.00 0.00 C ATOM 0 H THR A 61 22.714 8.236 -28.897 1.00 0.00 H new ATOM 0 HA THR A 61 23.623 9.507 -31.392 1.00 0.00 H new ATOM 0 HB THR A 61 21.744 7.244 -31.695 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.464 5.671 -31.462 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.230 6.728 -33.596 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.726 8.435 -33.600 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.359 7.991 -33.050 1.00 0.00 H new ATOM 870 N TYR A 62 21.430 10.642 -31.633 1.00 0.00 N ATOM 871 CA TYR A 62 20.180 11.388 -31.722 1.00 0.00 C ATOM 872 C TYR A 62 19.954 11.895 -33.141 1.00 0.00 C ATOM 873 O TYR A 62 20.855 12.460 -33.761 1.00 0.00 O ATOM 874 CB TYR A 62 20.189 12.564 -30.744 1.00 0.00 C ATOM 875 CG TYR A 62 19.051 13.536 -30.957 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.753 13.208 -30.584 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.274 14.782 -31.530 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.709 14.094 -30.777 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.236 15.674 -31.726 1.00 0.00 C ATOM 880 CZ TYR A 62 16.956 15.326 -31.348 1.00 0.00 C ATOM 881 OH TYR A 62 15.920 16.210 -31.541 1.00 0.00 O ATOM 0 H TYR A 62 22.195 11.033 -32.183 1.00 0.00 H new ATOM 0 HA TYR A 62 19.364 10.715 -31.459 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.141 12.179 -29.725 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.135 13.098 -30.839 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.556 12.245 -30.136 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.275 15.058 -31.827 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.706 13.823 -30.483 1.00 0.00 H new ATOM 0 HE2 TYR A 62 18.427 16.639 -32.173 1.00 0.00 H new ATOM 0 HH TYR A 62 15.238 16.070 -30.851 1.00 0.00 H new ATOM 891 N ASN A 63 18.746 11.689 -33.651 1.00 0.00 N ATOM 892 CA ASN A 63 18.397 12.125 -34.997 1.00 0.00 C ATOM 893 C ASN A 63 19.217 11.382 -36.049 1.00 0.00 C ATOM 894 O ASN A 63 19.181 11.723 -37.231 1.00 0.00 O ATOM 895 CB ASN A 63 18.609 13.633 -35.138 1.00 0.00 C ATOM 896 CG ASN A 63 17.339 14.357 -35.539 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.570 13.871 -36.369 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.112 15.526 -34.951 1.00 0.00 N ATOM 0 H ASN A 63 17.990 11.221 -33.151 1.00 0.00 H new ATOM 0 HA ASN A 63 17.344 11.895 -35.161 1.00 0.00 H new ATOM 0 HB2 ASN A 63 18.972 14.037 -34.193 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.382 13.821 -35.883 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.273 16.059 -35.182 1.00 0.00 H new ATOM 0 HD22 ASN A 63 17.776 15.891 -34.269 1.00 0.00 H new ATOM 905 N GLY A 64 19.947 10.359 -35.616 1.00 0.00 N ATOM 906 CA GLY A 64 20.753 9.582 -36.541 1.00 0.00 C ATOM 907 C GLY A 64 22.239 9.860 -36.413 1.00 0.00 C ATOM 908 O GLY A 64 23.062 9.090 -36.908 1.00 0.00 O ATOM 0 H GLY A 64 19.995 10.054 -34.644 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.572 8.521 -36.369 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.435 9.798 -37.561 1.00 0.00 H new ATOM 912 N ARG A 65 22.588 10.958 -35.750 1.00 0.00 N ATOM 913 CA ARG A 65 23.990 11.319 -35.569 1.00 0.00 C ATOM 914 C ARG A 65 24.480 10.905 -34.187 1.00 0.00 C ATOM 915 O ARG A 65 23.800 10.168 -33.474 1.00 0.00 O ATOM 916 CB ARG A 65 24.192 12.822 -35.773 1.00 0.00 C ATOM 917 CG ARG A 65 23.374 13.684 -34.828 1.00 0.00 C ATOM 918 CD ARG A 65 22.149 14.259 -35.519 1.00 0.00 C ATOM 919 NE ARG A 65 22.336 15.657 -35.892 1.00 0.00 N ATOM 920 CZ ARG A 65 21.644 16.260 -36.853 1.00 0.00 C ATOM 921 NH1 ARG A 65 20.730 15.583 -37.536 1.00 0.00 N ATOM 922 NH2 ARG A 65 21.865 17.536 -37.131 1.00 0.00 N ATOM 0 H ARG A 65 21.924 11.610 -35.331 1.00 0.00 H new ATOM 0 HA ARG A 65 24.575 10.785 -36.318 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.248 13.058 -35.643 1.00 0.00 H new ATOM 0 HB3 ARG A 65 23.932 13.078 -36.800 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.063 13.090 -33.969 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.993 14.496 -34.447 1.00 0.00 H new ATOM 0 HD2 ARG A 65 21.927 13.673 -36.411 1.00 0.00 H new ATOM 0 HD3 ARG A 65 21.286 14.173 -34.858 1.00 0.00 H new ATOM 0 HE ARG A 65 23.036 16.201 -35.388 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.559 14.600 -37.323 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.199 16.045 -38.274 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.568 18.058 -36.607 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.333 17.997 -37.869 1.00 0.00 H new ATOM 936 N THR A 66 25.666 11.374 -33.815 1.00 0.00 N ATOM 937 CA THR A 66 26.243 11.038 -32.519 1.00 0.00 C ATOM 938 C THR A 66 26.915 12.246 -31.874 1.00 0.00 C ATOM 939 O THR A 66 27.490 13.091 -32.560 1.00 0.00 O ATOM 940 CB THR A 66 27.275 9.902 -32.650 1.00 0.00 C ATOM 941 OG1 THR A 66 26.653 8.735 -33.200 1.00 0.00 O ATOM 942 CG2 THR A 66 27.886 9.567 -31.299 1.00 0.00 C ATOM 0 H THR A 66 26.245 11.986 -34.390 1.00 0.00 H new ATOM 0 HA THR A 66 25.420 10.710 -31.884 1.00 0.00 H new ATOM 0 HB THR A 66 28.069 10.239 -33.317 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.316 8.018 -33.281 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.611 8.762 -31.417 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.385 10.449 -30.896 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.101 9.250 -30.613 1.00 0.00 H new ATOM 950 N PHE A 67 26.841 12.318 -30.548 1.00 0.00 N ATOM 951 CA PHE A 67 27.444 13.417 -29.805 1.00 0.00 C ATOM 952 C PHE A 67 28.149 12.905 -28.553 1.00 0.00 C ATOM 953 O PHE A 67 27.535 12.256 -27.707 1.00 0.00 O ATOM 954 CB PHE A 67 26.384 14.448 -29.414 1.00 0.00 C ATOM 955 CG PHE A 67 25.296 14.619 -30.434 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.421 13.582 -30.714 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.144 15.820 -31.107 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.416 13.740 -31.648 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.140 15.985 -32.041 1.00 0.00 C ATOM 960 CZ PHE A 67 23.275 14.942 -32.313 1.00 0.00 C ATOM 0 H PHE A 67 26.368 11.626 -29.966 1.00 0.00 H new ATOM 0 HA PHE A 67 28.181 13.892 -30.453 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.936 14.152 -28.465 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.870 15.410 -29.251 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.526 12.640 -30.196 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.819 16.637 -30.899 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.741 12.924 -31.858 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.031 16.927 -32.558 1.00 0.00 H new ATOM 0 HZ PHE A 67 22.490 15.067 -33.044 1.00 0.00 H new ATOM 970 N TYR A 68 29.438 13.205 -28.438 1.00 0.00 N ATOM 971 CA TYR A 68 30.224 12.778 -27.287 1.00 0.00 C ATOM 972 C TYR A 68 30.057 13.754 -26.124 1.00 0.00 C ATOM 973 O TYR A 68 30.791 13.692 -25.138 1.00 0.00 O ATOM 974 CB TYR A 68 31.700 12.669 -27.669 1.00 0.00 C ATOM 975 CG TYR A 68 31.978 11.631 -28.734 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.527 11.802 -30.037 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.696 10.484 -28.435 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.785 10.853 -31.010 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.960 9.532 -29.399 1.00 0.00 C ATOM 980 CZ TYR A 68 32.502 9.721 -30.686 1.00 0.00 C ATOM 981 OH TYR A 68 32.762 8.774 -31.651 1.00 0.00 O ATOM 0 H TYR A 68 29.961 13.743 -29.129 1.00 0.00 H new ATOM 0 HA TYR A 68 29.863 11.799 -26.971 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.048 13.640 -28.021 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.280 12.427 -26.778 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.967 12.689 -30.294 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.056 10.332 -27.428 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.427 10.998 -32.018 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.522 8.645 -29.147 1.00 0.00 H new ATOM 0 HH TYR A 68 33.591 9.004 -32.120 1.00 0.00 H new ATOM 991 N SER A 69 29.088 14.657 -26.250 1.00 0.00 N ATOM 992 CA SER A 69 28.824 15.650 -25.215 1.00 0.00 C ATOM 993 C SER A 69 27.488 16.343 -25.460 1.00 0.00 C ATOM 994 O SER A 69 26.711 15.932 -26.321 1.00 0.00 O ATOM 995 CB SER A 69 29.949 16.685 -25.175 1.00 0.00 C ATOM 996 OG SER A 69 30.926 16.414 -26.165 1.00 0.00 O ATOM 0 H SER A 69 28.472 14.721 -27.061 1.00 0.00 H new ATOM 0 HA SER A 69 28.778 15.137 -24.254 1.00 0.00 H new ATOM 0 HB2 SER A 69 29.536 17.682 -25.330 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.415 16.683 -24.190 1.00 0.00 H new ATOM 0 HG SER A 69 31.634 17.090 -26.120 1.00 0.00 H new ATOM 1002 N CYS A 70 27.227 17.401 -24.697 1.00 0.00 N ATOM 1003 CA CYS A 70 25.989 18.153 -24.831 1.00 0.00 C ATOM 1004 C CYS A 70 25.895 18.799 -26.210 1.00 0.00 C ATOM 1005 O CYS A 70 26.904 18.974 -26.894 1.00 0.00 O ATOM 1006 CB CYS A 70 25.909 19.222 -23.741 1.00 0.00 C ATOM 1007 SG CYS A 70 25.759 18.551 -22.053 1.00 0.00 S ATOM 0 H CYS A 70 27.859 17.755 -23.979 1.00 0.00 H new ATOM 0 HA CYS A 70 25.151 17.465 -24.719 1.00 0.00 H new ATOM 0 HB2 CYS A 70 26.800 19.848 -23.794 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.054 19.867 -23.942 1.00 0.00 H new ATOM 1012 N THR A 71 24.679 19.148 -26.615 1.00 0.00 N ATOM 1013 CA THR A 71 24.457 19.770 -27.916 1.00 0.00 C ATOM 1014 C THR A 71 23.096 20.456 -27.978 1.00 0.00 C ATOM 1015 O THR A 71 22.357 20.483 -26.994 1.00 0.00 O ATOM 1016 CB THR A 71 24.545 18.734 -29.050 1.00 0.00 C ATOM 1017 OG1 THR A 71 24.504 19.395 -30.320 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.403 17.732 -28.958 1.00 0.00 C ATOM 0 H THR A 71 23.833 19.011 -26.062 1.00 0.00 H new ATOM 0 HA THR A 71 25.241 20.516 -28.047 1.00 0.00 H new ATOM 0 HB THR A 71 25.488 18.197 -28.949 1.00 0.00 H new ATOM 0 HG1 THR A 71 24.654 18.741 -31.034 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.486 17.010 -29.770 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.453 17.211 -28.002 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.451 18.257 -29.036 1.00 0.00 H new ATOM 1026 N THR A 72 22.772 21.006 -29.143 1.00 0.00 N ATOM 1027 CA THR A 72 21.501 21.691 -29.340 1.00 0.00 C ATOM 1028 C THR A 72 20.907 21.359 -30.705 1.00 0.00 C ATOM 1029 O THR A 72 20.509 22.249 -31.454 1.00 0.00 O ATOM 1030 CB THR A 72 21.662 23.218 -29.216 1.00 0.00 C ATOM 1031 OG1 THR A 72 22.967 23.612 -29.656 1.00 0.00 O ATOM 1032 CG2 THR A 72 21.451 23.667 -27.778 1.00 0.00 C ATOM 0 H THR A 72 23.374 20.990 -29.966 1.00 0.00 H new ATOM 0 HA THR A 72 20.826 21.342 -28.559 1.00 0.00 H new ATOM 0 HB THR A 72 20.909 23.693 -29.845 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.060 24.584 -29.575 1.00 0.00 H new ATOM 0 HG21 THR A 72 21.569 24.749 -27.713 1.00 0.00 H new ATOM 0 HG22 THR A 72 20.447 23.392 -27.455 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.185 23.183 -27.134 1.00 0.00 H new ATOM 1040 N GLU A 73 20.855 20.067 -31.018 1.00 0.00 N ATOM 1041 CA GLU A 73 20.315 19.605 -32.293 1.00 0.00 C ATOM 1042 C GLU A 73 18.828 19.285 -32.176 1.00 0.00 C ATOM 1043 O GLU A 73 18.242 18.673 -33.068 1.00 0.00 O ATOM 1044 CB GLU A 73 21.072 18.364 -32.762 1.00 0.00 C ATOM 1045 CG GLU A 73 21.981 18.620 -33.953 1.00 0.00 C ATOM 1046 CD GLU A 73 21.322 19.478 -35.014 1.00 0.00 C ATOM 1047 OE1 GLU A 73 20.343 19.011 -35.633 1.00 0.00 O ATOM 1048 OE2 GLU A 73 21.784 20.620 -35.225 1.00 0.00 O ATOM 0 H GLU A 73 21.181 19.320 -30.405 1.00 0.00 H new ATOM 0 HA GLU A 73 20.439 20.405 -33.022 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.670 17.979 -31.936 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.353 17.588 -33.024 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.893 19.108 -33.611 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.275 17.667 -34.393 1.00 0.00 H new ATOM 1055 N GLY A 74 18.227 19.701 -31.069 1.00 0.00 N ATOM 1056 CA GLY A 74 16.814 19.451 -30.851 1.00 0.00 C ATOM 1057 C GLY A 74 16.256 20.303 -29.734 1.00 0.00 C ATOM 1058 O GLY A 74 15.447 19.840 -28.929 1.00 0.00 O ATOM 0 H GLY A 74 18.693 20.208 -30.316 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.264 19.652 -31.770 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.664 18.398 -30.614 1.00 0.00 H new ATOM 1122 N HIS A 79 19.866 25.913 -26.021 1.00 0.00 N ATOM 1123 CA HIS A 79 20.566 25.526 -24.801 1.00 0.00 C ATOM 1124 C HIS A 79 21.067 24.088 -24.894 1.00 0.00 C ATOM 1125 O HIS A 79 20.281 23.154 -25.051 1.00 0.00 O ATOM 1126 CB HIS A 79 19.646 25.681 -23.589 1.00 0.00 C ATOM 1127 CG HIS A 79 18.802 26.918 -23.634 1.00 0.00 C ATOM 1128 ND1 HIS A 79 19.104 28.006 -24.426 1.00 0.00 N ATOM 1129 CD2 HIS A 79 17.661 27.238 -22.980 1.00 0.00 C ATOM 1130 CE1 HIS A 79 18.185 28.940 -24.257 1.00 0.00 C ATOM 1131 NE2 HIS A 79 17.299 28.499 -23.385 1.00 0.00 N ATOM 0 HA HIS A 79 21.427 26.184 -24.681 1.00 0.00 H new ATOM 0 HB2 HIS A 79 18.995 24.809 -23.523 1.00 0.00 H new ATOM 0 HB3 HIS A 79 20.251 25.697 -22.683 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.911 28.078 -25.046 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.133 26.617 -22.271 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.163 29.901 -24.749 1.00 0.00 H new ATOM 1140 N LEU A 80 22.381 23.919 -24.796 1.00 0.00 N ATOM 1141 CA LEU A 80 22.991 22.598 -24.871 1.00 0.00 C ATOM 1142 C LEU A 80 22.289 21.614 -23.941 1.00 0.00 C ATOM 1143 O LEU A 80 21.785 21.993 -22.883 1.00 0.00 O ATOM 1144 CB LEU A 80 24.475 22.686 -24.516 1.00 0.00 C ATOM 1145 CG LEU A 80 25.395 23.079 -25.673 1.00 0.00 C ATOM 1146 CD1 LEU A 80 25.090 24.493 -26.138 1.00 0.00 C ATOM 1147 CD2 LEU A 80 26.853 22.955 -25.257 1.00 0.00 C ATOM 0 H LEU A 80 23.045 24.682 -24.664 1.00 0.00 H new ATOM 0 HA LEU A 80 22.886 22.233 -25.893 1.00 0.00 H new ATOM 0 HB2 LEU A 80 24.598 23.411 -23.711 1.00 0.00 H new ATOM 0 HB3 LEU A 80 24.798 21.720 -24.127 1.00 0.00 H new ATOM 0 HG LEU A 80 25.215 22.398 -26.505 1.00 0.00 H new ATOM 0 HD11 LEU A 80 25.754 24.756 -26.962 1.00 0.00 H new ATOM 0 HD12 LEU A 80 24.055 24.550 -26.474 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.243 25.188 -25.313 1.00 0.00 H new ATOM 0 HD21 LEU A 80 27.495 23.238 -26.091 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.047 23.613 -24.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 27.063 21.924 -24.971 1.00 0.00 H new ATOM 1159 N TRP A 81 22.261 20.349 -24.345 1.00 0.00 N ATOM 1160 CA TRP A 81 21.622 19.304 -23.552 1.00 0.00 C ATOM 1161 C TRP A 81 22.256 17.946 -23.836 1.00 0.00 C ATOM 1162 O TRP A 81 22.818 17.723 -24.908 1.00 0.00 O ATOM 1163 CB TRP A 81 20.125 19.248 -23.858 1.00 0.00 C ATOM 1164 CG TRP A 81 19.826 18.976 -25.300 1.00 0.00 C ATOM 1165 CD1 TRP A 81 19.605 19.900 -26.278 1.00 0.00 C ATOM 1166 CD2 TRP A 81 19.720 17.692 -25.928 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.367 19.271 -27.476 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.432 17.915 -27.287 1.00 0.00 C ATOM 1169 CE3 TRP A 81 19.841 16.376 -25.471 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.263 16.871 -28.193 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 19.673 15.341 -26.372 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.387 15.594 -27.720 1.00 0.00 C ATOM 0 H TRP A 81 22.674 20.021 -25.218 1.00 0.00 H new ATOM 0 HA TRP A 81 21.764 19.543 -22.498 1.00 0.00 H new ATOM 0 HB2 TRP A 81 19.665 18.472 -23.246 1.00 0.00 H new ATOM 0 HB3 TRP A 81 19.667 20.194 -23.571 1.00 0.00 H new ATOM 0 HD1 TRP A 81 19.616 20.970 -26.132 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.173 19.737 -28.362 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.062 16.172 -24.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.042 17.063 -29.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.764 14.320 -26.031 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.262 14.764 -28.399 1.00 0.00 H new ATOM 1183 N CYS A 82 22.160 17.041 -22.869 1.00 0.00 N ATOM 1184 CA CYS A 82 22.721 15.703 -23.016 1.00 0.00 C ATOM 1185 C CYS A 82 21.810 14.660 -22.380 1.00 0.00 C ATOM 1186 O CYS A 82 20.963 14.986 -21.548 1.00 0.00 O ATOM 1187 CB CYS A 82 24.113 15.637 -22.383 1.00 0.00 C ATOM 1188 SG CYS A 82 24.123 15.898 -20.580 1.00 0.00 S ATOM 0 H CYS A 82 21.699 17.209 -21.975 1.00 0.00 H new ATOM 0 HA CYS A 82 22.804 15.486 -24.081 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.554 14.664 -22.601 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.749 16.388 -22.852 1.00 0.00 H new ATOM 1193 N SER A 83 21.988 13.406 -22.777 1.00 0.00 N ATOM 1194 CA SER A 83 21.182 12.315 -22.245 1.00 0.00 C ATOM 1195 C SER A 83 21.831 11.714 -21.003 1.00 0.00 C ATOM 1196 O SER A 83 23.028 11.430 -20.993 1.00 0.00 O ATOM 1197 CB SER A 83 20.986 11.232 -23.307 1.00 0.00 C ATOM 1198 OG SER A 83 20.645 9.991 -22.714 1.00 0.00 O ATOM 0 H SER A 83 22.684 13.120 -23.466 1.00 0.00 H new ATOM 0 HA SER A 83 20.209 12.719 -21.965 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.201 11.535 -24.000 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.900 11.121 -23.890 1.00 0.00 H new ATOM 0 HG SER A 83 20.867 9.262 -23.330 1.00 0.00 H new ATOM 1204 N THR A 84 21.033 11.520 -19.958 1.00 0.00 N ATOM 1205 CA THR A 84 21.529 10.948 -18.714 1.00 0.00 C ATOM 1206 C THR A 84 21.455 9.425 -18.750 1.00 0.00 C ATOM 1207 O THR A 84 21.724 8.756 -17.751 1.00 0.00 O ATOM 1208 CB THR A 84 20.727 11.462 -17.500 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.422 10.871 -17.490 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.600 12.978 -17.534 1.00 0.00 C ATOM 0 H THR A 84 20.040 11.751 -19.949 1.00 0.00 H new ATOM 0 HA THR A 84 22.568 11.260 -18.610 1.00 0.00 H new ATOM 0 HB THR A 84 21.263 11.179 -16.594 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.934 11.142 -18.296 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.031 13.315 -16.668 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.593 13.427 -17.512 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.085 13.280 -18.446 1.00 0.00 H new ATOM 1218 N THR A 85 21.084 8.882 -19.907 1.00 0.00 N ATOM 1219 CA THR A 85 20.968 7.441 -20.073 1.00 0.00 C ATOM 1220 C THR A 85 21.007 7.059 -21.553 1.00 0.00 C ATOM 1221 O THR A 85 20.366 7.699 -22.386 1.00 0.00 O ATOM 1222 CB THR A 85 19.665 6.923 -19.420 1.00 0.00 C ATOM 1223 OG1 THR A 85 19.900 6.629 -18.038 1.00 0.00 O ATOM 1224 CG2 THR A 85 19.123 5.680 -20.114 1.00 0.00 C ATOM 0 H THR A 85 20.859 9.422 -20.743 1.00 0.00 H new ATOM 0 HA THR A 85 21.818 6.974 -19.575 1.00 0.00 H new ATOM 0 HB THR A 85 18.918 7.711 -19.520 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.546 7.269 -17.673 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.208 5.356 -19.618 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.908 5.910 -21.157 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.865 4.883 -20.064 1.00 0.00 H new ATOM 1232 N SER A 86 21.762 6.011 -21.871 1.00 0.00 N ATOM 1233 CA SER A 86 21.879 5.548 -23.248 1.00 0.00 C ATOM 1234 C SER A 86 20.517 5.552 -23.932 1.00 0.00 C ATOM 1235 O SER A 86 20.350 6.132 -25.004 1.00 0.00 O ATOM 1236 CB SER A 86 22.482 4.143 -23.288 1.00 0.00 C ATOM 1237 OG SER A 86 23.087 3.812 -22.050 1.00 0.00 O ATOM 0 H SER A 86 22.300 5.469 -21.195 1.00 0.00 H new ATOM 0 HA SER A 86 22.540 6.230 -23.783 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.704 3.416 -23.522 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.223 4.084 -24.085 1.00 0.00 H new ATOM 0 HG SER A 86 23.463 2.909 -22.101 1.00 0.00 H new ATOM 1243 N ASN A 87 19.542 4.906 -23.298 1.00 0.00 N ATOM 1244 CA ASN A 87 18.192 4.842 -23.840 1.00 0.00 C ATOM 1245 C ASN A 87 17.439 6.133 -23.545 1.00 0.00 C ATOM 1246 O ASN A 87 16.554 6.166 -22.689 1.00 0.00 O ATOM 1247 CB ASN A 87 17.437 3.652 -23.249 1.00 0.00 C ATOM 1248 CG ASN A 87 16.987 2.668 -24.310 1.00 0.00 C ATOM 1249 OD1 ASN A 87 17.465 2.697 -25.444 1.00 0.00 O ATOM 1250 ND2 ASN A 87 16.064 1.786 -23.944 1.00 0.00 N ATOM 0 H ASN A 87 19.664 4.420 -22.409 1.00 0.00 H new ATOM 0 HA ASN A 87 18.261 4.714 -24.920 1.00 0.00 H new ATOM 0 HB2 ASN A 87 18.077 3.140 -22.531 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.567 4.013 -22.700 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.724 1.096 -24.614 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.695 1.798 -22.993 1.00 0.00 H new ATOM 1257 N TYR A 88 17.797 7.194 -24.256 1.00 0.00 N ATOM 1258 CA TYR A 88 17.158 8.487 -24.071 1.00 0.00 C ATOM 1259 C TYR A 88 15.806 8.514 -24.767 1.00 0.00 C ATOM 1260 O TYR A 88 14.847 9.102 -24.267 1.00 0.00 O ATOM 1261 CB TYR A 88 18.056 9.602 -24.612 1.00 0.00 C ATOM 1262 CG TYR A 88 17.306 10.860 -24.986 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.779 11.692 -24.008 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.125 11.213 -26.317 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.093 12.842 -24.345 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.440 12.363 -26.663 1.00 0.00 C ATOM 1267 CZ TYR A 88 15.926 13.174 -25.674 1.00 0.00 C ATOM 1268 OH TYR A 88 15.243 14.319 -26.014 1.00 0.00 O ATOM 0 H TYR A 88 18.528 7.183 -24.967 1.00 0.00 H new ATOM 0 HA TYR A 88 17.002 8.649 -23.005 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.807 9.847 -23.861 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.589 9.234 -25.488 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.908 11.436 -22.967 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.526 10.579 -27.094 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.689 13.479 -23.572 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.308 12.625 -27.703 1.00 0.00 H new ATOM 0 HH TYR A 88 15.216 14.406 -26.990 1.00 0.00 H new ATOM 1278 N GLU A 89 15.738 7.870 -25.926 1.00 0.00 N ATOM 1279 CA GLU A 89 14.503 7.815 -26.692 1.00 0.00 C ATOM 1280 C GLU A 89 13.505 6.860 -26.045 1.00 0.00 C ATOM 1281 O GLU A 89 12.378 6.711 -26.516 1.00 0.00 O ATOM 1282 CB GLU A 89 14.787 7.381 -28.131 1.00 0.00 C ATOM 1283 CG GLU A 89 15.427 8.468 -28.980 1.00 0.00 C ATOM 1284 CD GLU A 89 15.378 8.155 -30.463 1.00 0.00 C ATOM 1285 OE1 GLU A 89 14.325 8.403 -31.087 1.00 0.00 O ATOM 1286 OE2 GLU A 89 16.391 7.663 -31.000 1.00 0.00 O ATOM 0 H GLU A 89 16.523 7.380 -26.354 1.00 0.00 H new ATOM 0 HA GLU A 89 14.067 8.814 -26.704 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.442 6.510 -28.116 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.853 7.069 -28.599 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.919 9.414 -28.795 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.465 8.599 -28.674 1.00 0.00 H new ATOM 1293 N GLN A 90 13.927 6.213 -24.961 1.00 0.00 N ATOM 1294 CA GLN A 90 13.069 5.271 -24.252 1.00 0.00 C ATOM 1295 C GLN A 90 12.551 5.877 -22.952 1.00 0.00 C ATOM 1296 O GLN A 90 11.346 5.908 -22.704 1.00 0.00 O ATOM 1297 CB GLN A 90 13.832 3.976 -23.962 1.00 0.00 C ATOM 1298 CG GLN A 90 13.270 3.184 -22.793 1.00 0.00 C ATOM 1299 CD GLN A 90 11.870 2.667 -23.057 1.00 0.00 C ATOM 1300 OE1 GLN A 90 11.045 3.356 -23.657 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.595 1.447 -22.611 1.00 0.00 N ATOM 0 H GLN A 90 14.857 6.325 -24.556 1.00 0.00 H new ATOM 0 HA GLN A 90 12.213 5.045 -24.888 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.818 3.349 -24.854 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.875 4.217 -23.758 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.929 2.343 -22.579 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.259 3.815 -21.904 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.309 0.911 -22.118 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.669 1.046 -22.761 1.00 0.00 H new ATOM 1310 N ASP A 91 13.472 6.353 -22.124 1.00 0.00 N ATOM 1311 CA ASP A 91 13.113 6.957 -20.845 1.00 0.00 C ATOM 1312 C ASP A 91 12.723 8.420 -21.023 1.00 0.00 C ATOM 1313 O ASP A 91 11.727 8.879 -20.465 1.00 0.00 O ATOM 1314 CB ASP A 91 14.277 6.843 -19.859 1.00 0.00 C ATOM 1315 CG ASP A 91 13.873 7.205 -18.444 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.095 8.167 -18.276 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.335 6.526 -17.503 1.00 0.00 O ATOM 0 H ASP A 91 14.474 6.333 -22.314 1.00 0.00 H new ATOM 0 HA ASP A 91 12.254 6.418 -20.446 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.664 5.824 -19.874 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.088 7.497 -20.181 1.00 0.00 H new ATOM 1322 N GLN A 92 13.515 9.147 -21.805 1.00 0.00 N ATOM 1323 CA GLN A 92 13.250 10.559 -22.057 1.00 0.00 C ATOM 1324 C GLN A 92 13.798 11.432 -20.932 1.00 0.00 C ATOM 1325 O GLN A 92 13.208 12.456 -20.586 1.00 0.00 O ATOM 1326 CB GLN A 92 11.747 10.796 -22.217 1.00 0.00 C ATOM 1327 CG GLN A 92 11.408 12.109 -22.904 1.00 0.00 C ATOM 1328 CD GLN A 92 11.168 11.942 -24.392 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.720 12.680 -25.208 1.00 0.00 O ATOM 1330 NE2 GLN A 92 10.340 10.969 -24.753 1.00 0.00 N ATOM 0 H GLN A 92 14.344 8.782 -22.274 1.00 0.00 H new ATOM 0 HA GLN A 92 13.757 10.836 -22.982 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.317 9.974 -22.790 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.278 10.779 -21.233 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.519 12.538 -22.442 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.222 12.817 -22.748 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.904 10.381 -24.043 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.140 10.810 -25.740 1.00 0.00 H new ATOM 1339 N LYS A 93 14.930 11.025 -20.367 1.00 0.00 N ATOM 1340 CA LYS A 93 15.556 11.778 -19.285 1.00 0.00 C ATOM 1341 C LYS A 93 16.841 12.440 -19.769 1.00 0.00 C ATOM 1342 O LYS A 93 17.905 11.820 -19.786 1.00 0.00 O ATOM 1343 CB LYS A 93 15.852 10.871 -18.084 1.00 0.00 C ATOM 1344 CG LYS A 93 15.645 9.389 -18.347 1.00 0.00 C ATOM 1345 CD LYS A 93 16.943 8.725 -18.765 1.00 0.00 C ATOM 1346 CE LYS A 93 17.739 8.257 -17.557 1.00 0.00 C ATOM 1347 NZ LYS A 93 17.585 6.795 -17.323 1.00 0.00 N ATOM 0 H LYS A 93 15.432 10.180 -20.639 1.00 0.00 H new ATOM 0 HA LYS A 93 14.858 12.552 -18.968 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.883 11.031 -17.770 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.215 11.172 -17.252 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.259 8.907 -17.449 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.896 9.256 -19.128 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.727 7.875 -19.412 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.541 9.426 -19.348 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.793 8.492 -17.704 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.411 8.803 -16.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.240 6.633 -16.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.903 6.404 -18.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.505 6.325 -17.446 1.00 0.00 H new ATOM 1361 N TYR A 94 16.729 13.700 -20.171 1.00 0.00 N ATOM 1362 CA TYR A 94 17.874 14.455 -20.669 1.00 0.00 C ATOM 1363 C TYR A 94 18.239 15.598 -19.726 1.00 0.00 C ATOM 1364 O TYR A 94 17.536 15.865 -18.752 1.00 0.00 O ATOM 1365 CB TYR A 94 17.567 15.013 -22.059 1.00 0.00 C ATOM 1366 CG TYR A 94 16.592 16.172 -22.046 1.00 0.00 C ATOM 1367 CD1 TYR A 94 16.966 17.415 -21.550 1.00 0.00 C ATOM 1368 CD2 TYR A 94 15.298 16.021 -22.530 1.00 0.00 C ATOM 1369 CE1 TYR A 94 16.078 18.474 -21.538 1.00 0.00 C ATOM 1370 CE2 TYR A 94 14.405 17.076 -22.521 1.00 0.00 C ATOM 1371 CZ TYR A 94 14.800 18.299 -22.024 1.00 0.00 C ATOM 1372 OH TYR A 94 13.913 19.352 -22.012 1.00 0.00 O ATOM 0 H TYR A 94 15.853 14.223 -20.162 1.00 0.00 H new ATOM 0 HA TYR A 94 18.724 13.775 -20.726 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.498 15.337 -22.525 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.161 14.215 -22.680 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.966 17.556 -21.168 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.985 15.064 -22.920 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.384 19.434 -21.150 1.00 0.00 H new ATOM 0 HE2 TYR A 94 13.403 16.942 -22.901 1.00 0.00 H new ATOM 0 HH TYR A 94 13.056 19.063 -22.390 1.00 0.00 H new ATOM 1382 N SER A 95 19.343 16.273 -20.031 1.00 0.00 N ATOM 1383 CA SER A 95 19.808 17.394 -19.224 1.00 0.00 C ATOM 1384 C SER A 95 20.327 18.518 -20.116 1.00 0.00 C ATOM 1385 O SER A 95 20.516 18.331 -21.318 1.00 0.00 O ATOM 1386 CB SER A 95 20.907 16.939 -18.262 1.00 0.00 C ATOM 1387 OG SER A 95 20.994 15.525 -18.219 1.00 0.00 O ATOM 0 H SER A 95 19.934 16.061 -20.835 1.00 0.00 H new ATOM 0 HA SER A 95 18.965 17.770 -18.644 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.864 17.356 -18.575 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.703 17.324 -17.263 1.00 0.00 H new ATOM 0 HG SER A 95 21.824 15.235 -18.651 1.00 0.00 H new ATOM 1393 N PHE A 96 20.555 19.687 -19.525 1.00 0.00 N ATOM 1394 CA PHE A 96 21.048 20.838 -20.275 1.00 0.00 C ATOM 1395 C PHE A 96 22.556 20.996 -20.109 1.00 0.00 C ATOM 1396 O PHE A 96 23.217 20.150 -19.506 1.00 0.00 O ATOM 1397 CB PHE A 96 20.335 22.112 -19.821 1.00 0.00 C ATOM 1398 CG PHE A 96 18.947 22.254 -20.378 1.00 0.00 C ATOM 1399 CD1 PHE A 96 18.685 21.951 -21.705 1.00 0.00 C ATOM 1400 CD2 PHE A 96 17.907 22.690 -19.575 1.00 0.00 C ATOM 1401 CE1 PHE A 96 17.408 22.080 -22.219 1.00 0.00 C ATOM 1402 CE2 PHE A 96 16.628 22.821 -20.084 1.00 0.00 C ATOM 1403 CZ PHE A 96 16.379 22.516 -21.408 1.00 0.00 C ATOM 0 H PHE A 96 20.407 19.862 -18.531 1.00 0.00 H new ATOM 0 HA PHE A 96 20.836 20.668 -21.331 1.00 0.00 H new ATOM 0 HB2 PHE A 96 20.284 22.122 -18.732 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.928 22.977 -20.120 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.487 21.611 -22.344 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.097 22.931 -18.539 1.00 0.00 H new ATOM 0 HE1 PHE A 96 17.215 21.840 -23.254 1.00 0.00 H new ATOM 0 HE2 PHE A 96 15.825 23.161 -19.447 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.381 22.618 -21.808 1.00 0.00 H new ATOM 1413 N CYS A 97 23.094 22.084 -20.651 1.00 0.00 N ATOM 1414 CA CYS A 97 24.525 22.354 -20.565 1.00 0.00 C ATOM 1415 C CYS A 97 24.819 23.832 -20.797 1.00 0.00 C ATOM 1416 O CYS A 97 24.513 24.376 -21.858 1.00 0.00 O ATOM 1417 CB CYS A 97 25.286 21.508 -21.586 1.00 0.00 C ATOM 1418 SG CYS A 97 26.222 20.126 -20.860 1.00 0.00 S ATOM 0 H CYS A 97 22.561 22.793 -21.154 1.00 0.00 H new ATOM 0 HA CYS A 97 24.857 22.090 -19.561 1.00 0.00 H new ATOM 0 HB2 CYS A 97 24.577 21.110 -22.312 1.00 0.00 H new ATOM 0 HB3 CYS A 97 25.975 22.151 -22.133 1.00 0.00 H new ATOM 1423 N THR A 98 25.419 24.476 -19.801 1.00 0.00 N ATOM 1424 CA THR A 98 25.759 25.885 -19.899 1.00 0.00 C ATOM 1425 C THR A 98 26.634 26.156 -21.118 1.00 0.00 C ATOM 1426 O THR A 98 26.150 26.603 -22.157 1.00 0.00 O ATOM 1427 CB THR A 98 26.493 26.363 -18.635 1.00 0.00 C ATOM 1428 OG1 THR A 98 27.791 25.761 -18.562 1.00 0.00 O ATOM 1429 CG2 THR A 98 25.697 26.017 -17.385 1.00 0.00 C ATOM 0 H THR A 98 25.679 24.040 -18.916 1.00 0.00 H new ATOM 0 HA THR A 98 24.824 26.436 -20.002 1.00 0.00 H new ATOM 0 HB THR A 98 26.600 27.446 -18.692 1.00 0.00 H new ATOM 0 HG1 THR A 98 28.251 26.073 -17.755 1.00 0.00 H new ATOM 0 HG21 THR A 98 26.235 26.365 -16.503 1.00 0.00 H new ATOM 0 HG22 THR A 98 24.722 26.501 -17.429 1.00 0.00 H new ATOM 0 HG23 THR A 98 25.563 24.937 -17.326 1.00 0.00 H new