USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 SER OG : rot -147:sc= -2.02! USER MOD Set 1.2: A 84 THR OG1 : rot 176:sc= -3.51! USER MOD Set 1.3: A 93 LYS NZ :NH3+ 155:sc= -7.2! (180deg=-10.3!) USER MOD Set 2.1: A 22 GLN : amide:sc= -0.0814 X(o=-0.92,f=-1.3) USER MOD Set 2.2: A 25 LYS NZ :NH3+ -149:sc= 0 (180deg=0) USER MOD Set 2.3: A 27 MET CE :methyl -167:sc= -0.836 (180deg=-0.857) USER MOD Set 3.1: A 3 HIS : no HD1:sc= -2.2 K(o=-3.7,f=-4.6!) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= -1.46 USER MOD Single : A 1 TYR N :NH3+ 134:sc= 1.07 (180deg=-1.13!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 19:sc= 1 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -122:sc= 1.29 USER MOD Single : A 16 MET CE :methyl 136:sc= -1.09 (180deg=-3.68!) USER MOD Single : A 17 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.0095) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.405 K(o=-0.41,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 34 ASN : amide:sc= -2.5! C(o=-2.5!,f=-6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 41 THR OG1 : rot 99:sc= 0.0212 USER MOD Single : A 44 THR OG1 : rot 45:sc= 0.302! USER MOD Single : A 45 GLN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 46 THR OG1 : rot 131:sc= 0.894 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -6.99! C(o=-7!,f=-8.9!) USER MOD Single : A 51 SER OG : rot 40:sc= -7.4! USER MOD Single : A 52 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.89) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.544 USER MOD Single : A 63 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.4!) 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 -90:sc= -0.15 USER MOD Single : A 71 THR OG1 : rot 169:sc= -0.063 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 79 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-5.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -1.67! F(o=-3.2,f=-1.7!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.702 X(o=-0.7,f=-0.39) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 96:sc= 0.292 USER MOD Single : A 98 THR OG1 : rot 93:sc= 0.936 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 41.638 6.974 -47.226 1.00 0.00 N ATOM 2 CA TYR A 1 43.009 6.502 -46.896 1.00 0.00 C ATOM 3 C TYR A 1 43.620 7.327 -45.770 1.00 0.00 C ATOM 4 O TYR A 1 43.180 8.444 -45.496 1.00 0.00 O ATOM 5 CB TYR A 1 43.874 6.600 -48.153 1.00 0.00 C ATOM 6 CG TYR A 1 43.192 6.082 -49.401 1.00 0.00 C ATOM 7 CD1 TYR A 1 43.160 4.722 -49.684 1.00 0.00 C ATOM 8 CD2 TYR A 1 42.581 6.953 -50.294 1.00 0.00 C ATOM 9 CE1 TYR A 1 42.538 4.245 -50.823 1.00 0.00 C ATOM 10 CE2 TYR A 1 41.957 6.483 -51.434 1.00 0.00 C ATOM 11 CZ TYR A 1 41.938 5.130 -51.694 1.00 0.00 C ATOM 12 OH TYR A 1 41.319 4.660 -52.830 1.00 0.00 O ATOM 0 H1 TYR A 1 41.537 7.053 -48.258 1.00 0.00 H new ATOM 0 H2 TYR A 1 40.940 6.295 -46.861 1.00 0.00 H new ATOM 0 H3 TYR A 1 41.477 7.905 -46.790 1.00 0.00 H new ATOM 0 HA TYR A 1 42.959 5.468 -46.554 1.00 0.00 H new ATOM 0 HB2 TYR A 1 44.156 7.641 -48.309 1.00 0.00 H new ATOM 0 HB3 TYR A 1 44.796 6.040 -47.994 1.00 0.00 H new ATOM 0 HD1 TYR A 1 43.628 4.026 -49.003 1.00 0.00 H new ATOM 0 HD2 TYR A 1 42.594 8.014 -50.094 1.00 0.00 H new ATOM 0 HE1 TYR A 1 42.522 3.185 -51.029 1.00 0.00 H new ATOM 0 HE2 TYR A 1 41.486 7.173 -52.118 1.00 0.00 H new ATOM 0 HH TYR A 1 40.946 5.413 -53.335 1.00 0.00 H new ATOM 24 N GLY A 2 44.635 6.768 -45.119 1.00 0.00 N ATOM 25 CA GLY A 2 45.290 7.465 -44.029 1.00 0.00 C ATOM 26 C GLY A 2 44.817 6.984 -42.671 1.00 0.00 C ATOM 27 O GLY A 2 44.227 7.747 -41.906 1.00 0.00 O ATOM 0 H GLY A 2 45.015 5.845 -45.327 1.00 0.00 H new ATOM 0 HA2 GLY A 2 46.368 7.324 -44.106 1.00 0.00 H new ATOM 0 HA3 GLY A 2 45.101 8.535 -44.119 1.00 0.00 H new ATOM 31 N HIS A 3 45.075 5.716 -42.372 1.00 0.00 N ATOM 32 CA HIS A 3 44.670 5.135 -41.099 1.00 0.00 C ATOM 33 C HIS A 3 45.144 5.994 -39.930 1.00 0.00 C ATOM 34 O HIS A 3 46.118 6.738 -40.049 1.00 0.00 O ATOM 35 CB HIS A 3 45.227 3.718 -40.964 1.00 0.00 C ATOM 36 CG HIS A 3 44.312 2.662 -41.499 1.00 0.00 C ATOM 37 ND1 HIS A 3 43.974 2.564 -42.833 1.00 0.00 N ATOM 38 CD2 HIS A 3 43.661 1.652 -40.874 1.00 0.00 C ATOM 39 CE1 HIS A 3 43.155 1.542 -43.005 1.00 0.00 C ATOM 40 NE2 HIS A 3 42.950 0.971 -41.832 1.00 0.00 N ATOM 0 H HIS A 3 45.563 5.071 -42.994 1.00 0.00 H new ATOM 0 HA HIS A 3 43.581 5.095 -41.077 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.181 3.660 -41.488 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.428 3.514 -39.912 1.00 0.00 H new ATOM 0 HD2 HIS A 3 43.695 1.424 -39.819 1.00 0.00 H new ATOM 0 HE1 HIS A 3 42.726 1.227 -43.945 1.00 0.00 H new ATOM 0 HE2 HIS A 3 42.359 0.156 -41.664 1.00 0.00 H new ATOM 49 N CYS A 4 44.446 5.885 -38.805 1.00 0.00 N ATOM 50 CA CYS A 4 44.794 6.652 -37.614 1.00 0.00 C ATOM 51 C CYS A 4 45.328 5.738 -36.515 1.00 0.00 C ATOM 52 O CYS A 4 45.025 4.546 -36.485 1.00 0.00 O ATOM 53 CB CYS A 4 43.575 7.429 -37.113 1.00 0.00 C ATOM 54 SG CYS A 4 41.977 6.671 -37.567 1.00 0.00 S ATOM 0 H CYS A 4 43.637 5.274 -38.693 1.00 0.00 H new ATOM 0 HA CYS A 4 45.580 7.359 -37.879 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.631 7.513 -36.028 1.00 0.00 H new ATOM 0 HB3 CYS A 4 43.612 8.442 -37.513 1.00 0.00 H new ATOM 59 N VAL A 5 46.128 6.304 -35.619 1.00 0.00 N ATOM 60 CA VAL A 5 46.711 5.541 -34.521 1.00 0.00 C ATOM 61 C VAL A 5 46.938 6.430 -33.301 1.00 0.00 C ATOM 62 O VAL A 5 47.086 7.645 -33.428 1.00 0.00 O ATOM 63 CB VAL A 5 48.051 4.903 -34.930 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.251 3.576 -34.215 1.00 0.00 C ATOM 65 CG2 VAL A 5 48.117 4.721 -36.439 1.00 0.00 C ATOM 0 H VAL A 5 46.388 7.290 -35.631 1.00 0.00 H new ATOM 0 HA VAL A 5 46.003 4.751 -34.270 1.00 0.00 H new ATOM 0 HB VAL A 5 48.858 5.573 -34.633 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.203 3.140 -34.517 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.252 3.740 -33.137 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.441 2.895 -34.478 1.00 0.00 H new ATOM 0 HG21 VAL A 5 49.071 4.269 -36.710 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.303 4.072 -36.763 1.00 0.00 H new ATOM 0 HG23 VAL A 5 48.024 5.691 -36.927 1.00 0.00 H new ATOM 75 N THR A 6 46.962 5.819 -32.122 1.00 0.00 N ATOM 76 CA THR A 6 47.172 6.559 -30.884 1.00 0.00 C ATOM 77 C THR A 6 48.425 6.080 -30.158 1.00 0.00 C ATOM 78 O THR A 6 48.688 6.479 -29.023 1.00 0.00 O ATOM 79 CB THR A 6 45.964 6.427 -29.937 1.00 0.00 C ATOM 80 OG1 THR A 6 46.367 6.697 -28.588 1.00 0.00 O ATOM 81 CG2 THR A 6 45.359 5.034 -30.023 1.00 0.00 C ATOM 0 H THR A 6 46.839 4.814 -31.998 1.00 0.00 H new ATOM 0 HA THR A 6 47.295 7.606 -31.162 1.00 0.00 H new ATOM 0 HB THR A 6 45.210 7.152 -30.242 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.212 7.193 -28.592 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.508 4.965 -29.346 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.027 4.844 -31.044 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.108 4.294 -29.741 1.00 0.00 H new ATOM 89 N ASP A 7 49.196 5.223 -30.819 1.00 0.00 N ATOM 90 CA ASP A 7 50.421 4.690 -30.235 1.00 0.00 C ATOM 91 C ASP A 7 50.110 3.631 -29.181 1.00 0.00 C ATOM 92 O ASP A 7 51.010 3.128 -28.508 1.00 0.00 O ATOM 93 CB ASP A 7 51.246 5.818 -29.612 1.00 0.00 C ATOM 94 CG ASP A 7 51.379 7.014 -30.534 1.00 0.00 C ATOM 95 OD1 ASP A 7 51.958 6.857 -31.630 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.906 8.108 -30.159 1.00 0.00 O ATOM 0 H ASP A 7 48.994 4.883 -31.759 1.00 0.00 H new ATOM 0 HA ASP A 7 50.998 4.222 -31.033 1.00 0.00 H new ATOM 0 HB2 ASP A 7 50.780 6.133 -28.678 1.00 0.00 H new ATOM 0 HB3 ASP A 7 52.239 5.443 -29.362 1.00 0.00 H new ATOM 101 N SER A 8 48.830 3.296 -29.041 1.00 0.00 N ATOM 102 CA SER A 8 48.406 2.296 -28.068 1.00 0.00 C ATOM 103 C SER A 8 48.315 0.917 -28.713 1.00 0.00 C ATOM 104 O SER A 8 48.249 -0.100 -28.021 1.00 0.00 O ATOM 105 CB SER A 8 47.053 2.680 -27.466 1.00 0.00 C ATOM 106 OG SER A 8 47.199 3.129 -26.130 1.00 0.00 O ATOM 0 H SER A 8 48.071 3.702 -29.588 1.00 0.00 H new ATOM 0 HA SER A 8 49.151 2.259 -27.273 1.00 0.00 H new ATOM 0 HB2 SER A 8 46.593 3.463 -28.068 1.00 0.00 H new ATOM 0 HB3 SER A 8 46.382 1.821 -27.493 1.00 0.00 H new ATOM 0 HG SER A 8 46.321 3.370 -25.768 1.00 0.00 H new ATOM 112 N GLY A 9 48.310 0.891 -30.041 1.00 0.00 N ATOM 113 CA GLY A 9 48.227 -0.368 -30.757 1.00 0.00 C ATOM 114 C GLY A 9 46.921 -0.518 -31.512 1.00 0.00 C ATOM 115 O GLY A 9 46.731 -1.484 -32.253 1.00 0.00 O ATOM 0 H GLY A 9 48.362 1.719 -30.634 1.00 0.00 H new ATOM 0 HA2 GLY A 9 49.059 -0.440 -31.458 1.00 0.00 H new ATOM 0 HA3 GLY A 9 48.332 -1.192 -30.051 1.00 0.00 H new ATOM 119 N VAL A 10 46.017 0.438 -31.324 1.00 0.00 N ATOM 120 CA VAL A 10 44.722 0.407 -31.993 1.00 0.00 C ATOM 121 C VAL A 10 44.745 1.225 -33.280 1.00 0.00 C ATOM 122 O VAL A 10 44.274 2.362 -33.314 1.00 0.00 O ATOM 123 CB VAL A 10 43.604 0.943 -31.080 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.245 0.758 -31.737 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.646 0.256 -29.724 1.00 0.00 C ATOM 0 H VAL A 10 46.158 1.243 -30.714 1.00 0.00 H new ATOM 0 HA VAL A 10 44.518 -0.637 -32.233 1.00 0.00 H new ATOM 0 HB VAL A 10 43.766 2.010 -30.926 1.00 0.00 H new ATOM 0 HG11 VAL A 10 41.467 1.142 -31.078 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.221 1.301 -32.682 1.00 0.00 H new ATOM 0 HG13 VAL A 10 42.072 -0.302 -31.923 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.849 0.648 -29.093 1.00 0.00 H new ATOM 0 HG22 VAL A 10 43.510 -0.817 -29.856 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.609 0.444 -29.250 1.00 0.00 H new ATOM 135 N VAL A 11 45.297 0.638 -34.335 1.00 0.00 N ATOM 136 CA VAL A 11 45.385 1.307 -35.627 1.00 0.00 C ATOM 137 C VAL A 11 44.001 1.631 -36.177 1.00 0.00 C ATOM 138 O VAL A 11 43.413 0.842 -36.917 1.00 0.00 O ATOM 139 CB VAL A 11 46.143 0.447 -36.655 1.00 0.00 C ATOM 140 CG1 VAL A 11 46.166 1.131 -38.013 1.00 0.00 C ATOM 141 CG2 VAL A 11 47.557 0.161 -36.169 1.00 0.00 C ATOM 0 H VAL A 11 45.691 -0.303 -34.321 1.00 0.00 H new ATOM 0 HA VAL A 11 45.934 2.234 -35.463 1.00 0.00 H new ATOM 0 HB VAL A 11 45.620 -0.503 -36.764 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.706 0.507 -38.725 1.00 0.00 H new ATOM 0 HG12 VAL A 11 45.144 1.280 -38.363 1.00 0.00 H new ATOM 0 HG13 VAL A 11 46.664 2.097 -37.926 1.00 0.00 H new ATOM 0 HG21 VAL A 11 48.079 -0.448 -36.907 1.00 0.00 H new ATOM 0 HG22 VAL A 11 48.091 1.101 -36.030 1.00 0.00 H new ATOM 0 HG23 VAL A 11 47.514 -0.375 -35.221 1.00 0.00 H new ATOM 151 N TYR A 12 43.487 2.799 -35.812 1.00 0.00 N ATOM 152 CA TYR A 12 42.173 3.239 -36.268 1.00 0.00 C ATOM 153 C TYR A 12 42.174 3.475 -37.776 1.00 0.00 C ATOM 154 O TYR A 12 43.131 3.130 -38.468 1.00 0.00 O ATOM 155 CB TYR A 12 41.771 4.522 -35.540 1.00 0.00 C ATOM 156 CG TYR A 12 41.479 4.323 -34.075 1.00 0.00 C ATOM 157 CD1 TYR A 12 40.307 3.707 -33.659 1.00 0.00 C ATOM 158 CD2 TYR A 12 42.379 4.749 -33.109 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.039 3.520 -32.315 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.120 4.566 -31.765 1.00 0.00 C ATOM 161 CZ TYR A 12 40.949 3.951 -31.373 1.00 0.00 C ATOM 162 OH TYR A 12 40.686 3.767 -30.035 1.00 0.00 O ATOM 0 H TYR A 12 43.962 3.462 -35.199 1.00 0.00 H new ATOM 0 HA TYR A 12 41.450 2.455 -36.042 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.571 5.255 -35.645 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.889 4.942 -36.023 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.594 3.369 -34.396 1.00 0.00 H new ATOM 0 HD2 TYR A 12 43.296 5.231 -33.413 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.123 3.039 -32.005 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.831 4.903 -31.025 1.00 0.00 H new ATOM 0 HH TYR A 12 40.700 4.633 -29.577 1.00 0.00 H new ATOM 172 N SER A 13 41.095 4.068 -38.277 1.00 0.00 N ATOM 173 CA SER A 13 40.971 4.355 -39.701 1.00 0.00 C ATOM 174 C SER A 13 40.404 5.754 -39.923 1.00 0.00 C ATOM 175 O SER A 13 39.707 6.295 -39.065 1.00 0.00 O ATOM 176 CB SER A 13 40.079 3.315 -40.379 1.00 0.00 C ATOM 177 OG SER A 13 40.845 2.235 -40.883 1.00 0.00 O ATOM 0 H SER A 13 40.294 4.359 -37.717 1.00 0.00 H new ATOM 0 HA SER A 13 41.966 4.310 -40.144 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.344 2.942 -39.666 1.00 0.00 H new ATOM 0 HB3 SER A 13 39.525 3.782 -41.193 1.00 0.00 H new ATOM 0 HG SER A 13 40.250 1.584 -41.311 1.00 0.00 H new ATOM 183 N VAL A 14 40.709 6.335 -41.079 1.00 0.00 N ATOM 184 CA VAL A 14 40.233 7.673 -41.414 1.00 0.00 C ATOM 185 C VAL A 14 38.744 7.823 -41.114 1.00 0.00 C ATOM 186 O VAL A 14 37.900 7.611 -41.986 1.00 0.00 O ATOM 187 CB VAL A 14 40.490 8.004 -42.897 1.00 0.00 C ATOM 188 CG1 VAL A 14 40.095 6.831 -43.781 1.00 0.00 C ATOM 189 CG2 VAL A 14 39.743 9.265 -43.305 1.00 0.00 C ATOM 0 H VAL A 14 41.284 5.900 -41.800 1.00 0.00 H new ATOM 0 HA VAL A 14 40.792 8.373 -40.793 1.00 0.00 H new ATOM 0 HB VAL A 14 41.557 8.187 -43.028 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.283 7.082 -44.825 1.00 0.00 H new ATOM 0 HG12 VAL A 14 40.683 5.955 -43.507 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.035 6.614 -43.646 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.939 9.480 -44.356 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.673 9.118 -43.158 1.00 0.00 H new ATOM 0 HG23 VAL A 14 40.081 10.102 -42.694 1.00 0.00 H new ATOM 199 N GLY A 15 38.431 8.195 -39.877 1.00 0.00 N ATOM 200 CA GLY A 15 37.047 8.375 -39.477 1.00 0.00 C ATOM 201 C GLY A 15 36.600 7.373 -38.429 1.00 0.00 C ATOM 202 O GLY A 15 35.413 7.284 -38.115 1.00 0.00 O ATOM 0 H GLY A 15 39.114 8.376 -39.141 1.00 0.00 H new ATOM 0 HA2 GLY A 15 36.915 9.384 -39.087 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.406 8.286 -40.354 1.00 0.00 H new ATOM 206 N MET A 16 37.549 6.620 -37.882 1.00 0.00 N ATOM 207 CA MET A 16 37.238 5.629 -36.859 1.00 0.00 C ATOM 208 C MET A 16 37.517 6.190 -35.470 1.00 0.00 C ATOM 209 O MET A 16 38.219 5.574 -34.668 1.00 0.00 O ATOM 210 CB MET A 16 38.056 4.355 -37.085 1.00 0.00 C ATOM 211 CG MET A 16 37.222 3.084 -37.063 1.00 0.00 C ATOM 212 SD MET A 16 37.532 2.075 -35.602 1.00 0.00 S ATOM 213 CE MET A 16 39.112 1.344 -36.022 1.00 0.00 C ATOM 0 H MET A 16 38.537 6.677 -38.129 1.00 0.00 H new ATOM 0 HA MET A 16 36.178 5.383 -36.930 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.568 4.427 -38.045 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.827 4.287 -36.317 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.165 3.347 -37.100 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.436 2.498 -37.957 1.00 0.00 H new ATOM 0 HE1 MET A 16 39.772 1.382 -35.155 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.965 0.306 -36.321 1.00 0.00 H new ATOM 0 HE3 MET A 16 39.562 1.899 -36.845 1.00 0.00 H new ATOM 223 N GLN A 17 36.964 7.368 -35.197 1.00 0.00 N ATOM 224 CA GLN A 17 37.152 8.025 -33.910 1.00 0.00 C ATOM 225 C GLN A 17 37.060 7.027 -32.762 1.00 0.00 C ATOM 226 O GLN A 17 36.673 5.874 -32.952 1.00 0.00 O ATOM 227 CB GLN A 17 36.111 9.129 -33.721 1.00 0.00 C ATOM 228 CG GLN A 17 34.751 8.791 -34.305 1.00 0.00 C ATOM 229 CD GLN A 17 33.693 8.588 -33.238 1.00 0.00 C ATOM 230 OE1 GLN A 17 33.556 7.498 -32.683 1.00 0.00 O ATOM 231 NE2 GLN A 17 32.938 9.640 -32.945 1.00 0.00 N ATOM 0 H GLN A 17 36.381 7.888 -35.853 1.00 0.00 H new ATOM 0 HA GLN A 17 38.149 8.465 -33.903 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.999 9.332 -32.656 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.478 10.045 -34.184 1.00 0.00 H new ATOM 0 HG2 GLN A 17 34.438 9.592 -34.974 1.00 0.00 H new ATOM 0 HG3 GLN A 17 34.833 7.886 -34.907 1.00 0.00 H new ATOM 0 HE21 GLN A 17 33.086 10.525 -33.430 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.210 9.563 -32.235 1.00 0.00 H new ATOM 240 N TRP A 18 37.420 7.483 -31.567 1.00 0.00 N ATOM 241 CA TRP A 18 37.383 6.637 -30.383 1.00 0.00 C ATOM 242 C TRP A 18 37.389 7.484 -29.114 1.00 0.00 C ATOM 243 O TRP A 18 37.161 8.693 -29.163 1.00 0.00 O ATOM 244 CB TRP A 18 38.578 5.685 -30.379 1.00 0.00 C ATOM 245 CG TRP A 18 39.896 6.391 -30.291 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.605 6.662 -29.156 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.662 6.922 -31.379 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.767 7.324 -29.473 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.824 7.497 -30.831 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.480 6.966 -32.766 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.797 8.107 -31.618 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.447 7.572 -33.546 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.592 8.135 -32.971 1.00 0.00 C ATOM 0 H TRP A 18 37.741 8.436 -31.394 1.00 0.00 H new ATOM 0 HA TRP A 18 36.462 6.055 -30.407 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.484 4.998 -29.538 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.556 5.082 -31.287 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.298 6.395 -28.156 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.472 7.636 -28.806 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.600 6.534 -33.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.681 8.542 -31.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.317 7.612 -34.617 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.329 8.601 -33.608 1.00 0.00 H new ATOM 264 N LEU A 19 37.652 6.843 -27.981 1.00 0.00 N ATOM 265 CA LEU A 19 37.688 7.544 -26.703 1.00 0.00 C ATOM 266 C LEU A 19 38.782 6.982 -25.802 1.00 0.00 C ATOM 267 O LEU A 19 38.829 5.782 -25.540 1.00 0.00 O ATOM 268 CB LEU A 19 36.333 7.446 -26.002 1.00 0.00 C ATOM 269 CG LEU A 19 36.289 8.042 -24.594 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.850 9.497 -24.645 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.359 7.234 -23.703 1.00 0.00 C ATOM 0 H LEU A 19 37.843 5.843 -27.921 1.00 0.00 H new ATOM 0 HA LEU A 19 37.910 8.592 -26.902 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.586 7.948 -26.616 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.045 6.396 -25.945 1.00 0.00 H new ATOM 0 HG LEU A 19 37.292 8.001 -24.170 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.824 9.905 -23.635 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.554 10.069 -25.249 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.856 9.562 -25.088 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.340 7.672 -22.705 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.353 7.244 -24.123 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.716 6.206 -23.641 1.00 0.00 H new ATOM 283 N LYS A 20 39.659 7.863 -25.333 1.00 0.00 N ATOM 284 CA LYS A 20 40.755 7.456 -24.459 1.00 0.00 C ATOM 285 C LYS A 20 40.596 8.059 -23.067 1.00 0.00 C ATOM 286 O LYS A 20 39.761 8.937 -22.850 1.00 0.00 O ATOM 287 CB LYS A 20 42.096 7.876 -25.059 1.00 0.00 C ATOM 288 CG LYS A 20 42.254 9.380 -25.205 1.00 0.00 C ATOM 289 CD LYS A 20 43.713 9.776 -25.346 1.00 0.00 C ATOM 290 CE LYS A 20 44.555 9.212 -24.211 1.00 0.00 C ATOM 291 NZ LYS A 20 45.509 10.221 -23.673 1.00 0.00 N ATOM 0 H LYS A 20 39.633 8.861 -25.542 1.00 0.00 H new ATOM 0 HA LYS A 20 40.729 6.370 -24.369 1.00 0.00 H new ATOM 0 HB2 LYS A 20 42.901 7.494 -24.431 1.00 0.00 H new ATOM 0 HB3 LYS A 20 42.208 7.411 -26.038 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.697 9.722 -26.077 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.823 9.878 -24.336 1.00 0.00 H new ATOM 0 HD2 LYS A 20 44.098 9.416 -26.300 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.797 10.863 -25.358 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.901 8.868 -23.410 1.00 0.00 H new ATOM 0 HE3 LYS A 20 45.108 8.343 -24.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 46.064 9.798 -22.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 46.150 10.531 -24.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.980 11.040 -23.310 1.00 0.00 H new ATOM 305 N THR A 21 41.403 7.579 -22.125 1.00 0.00 N ATOM 306 CA THR A 21 41.354 8.068 -20.751 1.00 0.00 C ATOM 307 C THR A 21 42.703 8.633 -20.319 1.00 0.00 C ATOM 308 O THR A 21 43.726 8.383 -20.957 1.00 0.00 O ATOM 309 CB THR A 21 40.942 6.953 -19.773 1.00 0.00 C ATOM 310 OG1 THR A 21 40.741 5.726 -20.486 1.00 0.00 O ATOM 311 CG2 THR A 21 39.669 7.331 -19.030 1.00 0.00 C ATOM 0 H THR A 21 42.099 6.851 -22.288 1.00 0.00 H new ATOM 0 HA THR A 21 40.606 8.860 -20.725 1.00 0.00 H new ATOM 0 HB THR A 21 41.743 6.821 -19.045 1.00 0.00 H new ATOM 0 HG1 THR A 21 40.481 5.021 -19.857 1.00 0.00 H new ATOM 0 HG21 THR A 21 39.396 6.529 -18.344 1.00 0.00 H new ATOM 0 HG22 THR A 21 39.836 8.249 -18.467 1.00 0.00 H new ATOM 0 HG23 THR A 21 38.862 7.486 -19.746 1.00 0.00 H new ATOM 319 N GLN A 22 42.696 9.398 -19.233 1.00 0.00 N ATOM 320 CA GLN A 22 43.918 10.002 -18.713 1.00 0.00 C ATOM 321 C GLN A 22 44.031 9.794 -17.207 1.00 0.00 C ATOM 322 O GLN A 22 44.356 10.720 -16.464 1.00 0.00 O ATOM 323 CB GLN A 22 43.948 11.496 -19.037 1.00 0.00 C ATOM 324 CG GLN A 22 43.086 11.875 -20.230 1.00 0.00 C ATOM 325 CD GLN A 22 43.681 13.006 -21.046 1.00 0.00 C ATOM 326 OE1 GLN A 22 43.715 12.950 -22.275 1.00 0.00 O ATOM 327 NE2 GLN A 22 44.152 14.043 -20.364 1.00 0.00 N ATOM 0 H GLN A 22 41.857 9.615 -18.695 1.00 0.00 H new ATOM 0 HA GLN A 22 44.767 9.515 -19.192 1.00 0.00 H new ATOM 0 HB2 GLN A 22 43.613 12.056 -18.164 1.00 0.00 H new ATOM 0 HB3 GLN A 22 44.977 11.797 -19.232 1.00 0.00 H new ATOM 0 HG2 GLN A 22 42.953 11.002 -20.869 1.00 0.00 H new ATOM 0 HG3 GLN A 22 42.096 12.167 -19.880 1.00 0.00 H new ATOM 0 HE21 GLN A 22 44.104 14.048 -19.345 1.00 0.00 H new ATOM 0 HE22 GLN A 22 44.562 14.835 -20.859 1.00 0.00 H new ATOM 336 N GLY A 23 43.759 8.571 -16.762 1.00 0.00 N ATOM 337 CA GLY A 23 43.837 8.263 -15.346 1.00 0.00 C ATOM 338 C GLY A 23 42.474 8.235 -14.682 1.00 0.00 C ATOM 339 O GLY A 23 41.868 7.173 -14.540 1.00 0.00 O ATOM 0 H GLY A 23 43.486 7.788 -17.357 1.00 0.00 H new ATOM 0 HA2 GLY A 23 44.322 7.296 -15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 23 44.464 9.004 -14.850 1.00 0.00 H new ATOM 343 N ASN A 24 41.993 9.404 -14.275 1.00 0.00 N ATOM 344 CA ASN A 24 40.693 9.509 -13.619 1.00 0.00 C ATOM 345 C ASN A 24 39.734 10.368 -14.437 1.00 0.00 C ATOM 346 O ASN A 24 38.637 10.693 -13.982 1.00 0.00 O ATOM 347 CB ASN A 24 40.854 10.101 -12.218 1.00 0.00 C ATOM 348 CG ASN A 24 40.476 9.118 -11.127 1.00 0.00 C ATOM 349 OD1 ASN A 24 41.338 8.465 -10.539 1.00 0.00 O ATOM 350 ND2 ASN A 24 39.182 9.010 -10.850 1.00 0.00 N ATOM 0 H ASN A 24 42.482 10.292 -14.387 1.00 0.00 H new ATOM 0 HA ASN A 24 40.274 8.506 -13.540 1.00 0.00 H new ATOM 0 HB2 ASN A 24 41.888 10.416 -12.077 1.00 0.00 H new ATOM 0 HB3 ASN A 24 40.234 10.993 -12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 24 38.868 8.366 -10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 24 38.502 9.571 -11.363 1.00 0.00 H new ATOM 357 N LYS A 25 40.151 10.733 -15.645 1.00 0.00 N ATOM 358 CA LYS A 25 39.324 11.555 -16.522 1.00 0.00 C ATOM 359 C LYS A 25 38.876 10.761 -17.745 1.00 0.00 C ATOM 360 O LYS A 25 39.061 9.546 -17.811 1.00 0.00 O ATOM 361 CB LYS A 25 40.093 12.801 -16.965 1.00 0.00 C ATOM 362 CG LYS A 25 40.750 13.552 -15.820 1.00 0.00 C ATOM 363 CD LYS A 25 42.259 13.622 -15.992 1.00 0.00 C ATOM 364 CE LYS A 25 42.744 15.060 -16.074 1.00 0.00 C ATOM 365 NZ LYS A 25 43.951 15.191 -16.937 1.00 0.00 N ATOM 0 H LYS A 25 41.055 10.473 -16.039 1.00 0.00 H new ATOM 0 HA LYS A 25 38.440 11.862 -15.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 40.859 12.508 -17.683 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.410 13.473 -17.484 1.00 0.00 H new ATOM 0 HG2 LYS A 25 40.342 14.561 -15.764 1.00 0.00 H new ATOM 0 HG3 LYS A 25 40.513 13.060 -14.877 1.00 0.00 H new ATOM 0 HD2 LYS A 25 42.745 13.120 -15.156 1.00 0.00 H new ATOM 0 HD3 LYS A 25 42.548 13.087 -16.897 1.00 0.00 H new ATOM 0 HE2 LYS A 25 41.946 15.690 -16.467 1.00 0.00 H new ATOM 0 HE3 LYS A 25 42.973 15.424 -15.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 44.543 15.972 -16.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.495 14.305 -16.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 43.658 15.388 -17.915 1.00 0.00 H new ATOM 379 N GLN A 26 38.288 11.456 -18.713 1.00 0.00 N ATOM 380 CA GLN A 26 37.818 10.816 -19.935 1.00 0.00 C ATOM 381 C GLN A 26 38.017 11.730 -21.138 1.00 0.00 C ATOM 382 O GLN A 26 37.443 12.818 -21.206 1.00 0.00 O ATOM 383 CB GLN A 26 36.342 10.435 -19.804 1.00 0.00 C ATOM 384 CG GLN A 26 36.090 8.941 -19.928 1.00 0.00 C ATOM 385 CD GLN A 26 34.627 8.613 -20.141 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.050 8.930 -21.181 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.016 7.972 -19.150 1.00 0.00 N ATOM 0 H GLN A 26 38.126 12.462 -18.674 1.00 0.00 H new ATOM 0 HA GLN A 26 38.405 9.910 -20.089 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.970 10.780 -18.839 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.770 10.957 -20.571 1.00 0.00 H new ATOM 0 HG2 GLN A 26 36.672 8.546 -20.761 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.443 8.441 -19.026 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.533 7.728 -18.305 1.00 0.00 H new ATOM 0 HE22 GLN A 26 33.030 7.724 -19.234 1.00 0.00 H new ATOM 396 N MET A 27 38.834 11.282 -22.083 1.00 0.00 N ATOM 397 CA MET A 27 39.112 12.059 -23.285 1.00 0.00 C ATOM 398 C MET A 27 38.626 11.324 -24.529 1.00 0.00 C ATOM 399 O MET A 27 38.593 10.093 -24.561 1.00 0.00 O ATOM 400 CB MET A 27 40.611 12.340 -23.398 1.00 0.00 C ATOM 401 CG MET A 27 40.968 13.284 -24.534 1.00 0.00 C ATOM 402 SD MET A 27 41.930 12.477 -25.828 1.00 0.00 S ATOM 403 CE MET A 27 43.474 13.379 -25.715 1.00 0.00 C ATOM 0 H MET A 27 39.316 10.384 -22.041 1.00 0.00 H new ATOM 0 HA MET A 27 38.576 13.005 -23.210 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.965 12.765 -22.459 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.139 11.397 -23.540 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.053 13.690 -24.966 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.534 14.127 -24.137 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.087 13.162 -26.590 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.268 14.449 -25.672 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.008 13.076 -24.814 1.00 0.00 H new ATOM 413 N LEU A 28 38.251 12.081 -25.555 1.00 0.00 N ATOM 414 CA LEU A 28 37.771 11.492 -26.800 1.00 0.00 C ATOM 415 C LEU A 28 38.693 11.845 -27.963 1.00 0.00 C ATOM 416 O LEU A 28 38.943 13.018 -28.234 1.00 0.00 O ATOM 417 CB LEU A 28 36.351 11.966 -27.105 1.00 0.00 C ATOM 418 CG LEU A 28 35.765 11.431 -28.410 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.719 10.366 -28.129 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.166 12.562 -29.230 1.00 0.00 C ATOM 0 H LEU A 28 38.270 13.101 -25.549 1.00 0.00 H new ATOM 0 HA LEU A 28 37.766 10.409 -26.676 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.700 11.671 -26.282 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.346 13.055 -27.140 1.00 0.00 H new ATOM 0 HG LEU A 28 36.571 10.977 -28.987 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.313 9.997 -29.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.177 9.541 -27.583 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.915 10.795 -27.531 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.754 12.161 -30.156 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.373 13.045 -28.659 1.00 0.00 H new ATOM 0 HD23 LEU A 28 35.941 13.292 -29.464 1.00 0.00 H new ATOM 432 N CYS A 29 39.197 10.821 -28.646 1.00 0.00 N ATOM 433 CA CYS A 29 40.094 11.028 -29.778 1.00 0.00 C ATOM 434 C CYS A 29 39.421 10.651 -31.094 1.00 0.00 C ATOM 435 O CYS A 29 38.702 9.654 -31.173 1.00 0.00 O ATOM 436 CB CYS A 29 41.371 10.206 -29.600 1.00 0.00 C ATOM 437 SG CYS A 29 42.763 11.118 -28.857 1.00 0.00 S ATOM 0 H CYS A 29 39.000 9.842 -28.436 1.00 0.00 H new ATOM 0 HA CYS A 29 40.347 12.088 -29.812 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.146 9.341 -28.976 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.681 9.826 -30.573 1.00 0.00 H new ATOM 442 N THR A 30 39.670 11.450 -32.128 1.00 0.00 N ATOM 443 CA THR A 30 39.100 11.198 -33.449 1.00 0.00 C ATOM 444 C THR A 30 40.124 11.455 -34.542 1.00 0.00 C ATOM 445 O THR A 30 41.006 12.301 -34.393 1.00 0.00 O ATOM 446 CB THR A 30 37.868 12.083 -33.726 1.00 0.00 C ATOM 447 OG1 THR A 30 36.802 11.740 -32.833 1.00 0.00 O ATOM 448 CG2 THR A 30 37.402 11.920 -35.169 1.00 0.00 C ATOM 0 H THR A 30 40.263 12.278 -32.077 1.00 0.00 H new ATOM 0 HA THR A 30 38.797 10.151 -33.455 1.00 0.00 H new ATOM 0 HB THR A 30 38.151 13.123 -33.564 1.00 0.00 H new ATOM 0 HG1 THR A 30 36.026 12.309 -33.017 1.00 0.00 H new ATOM 0 HG21 THR A 30 36.532 12.553 -35.344 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.205 12.212 -35.846 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.136 10.879 -35.350 1.00 0.00 H new ATOM 456 N CYS A 31 39.996 10.736 -35.650 1.00 0.00 N ATOM 457 CA CYS A 31 40.908 10.910 -36.768 1.00 0.00 C ATOM 458 C CYS A 31 40.153 11.382 -38.002 1.00 0.00 C ATOM 459 O CYS A 31 39.409 10.626 -38.626 1.00 0.00 O ATOM 460 CB CYS A 31 41.666 9.618 -37.065 1.00 0.00 C ATOM 461 SG CYS A 31 40.622 8.142 -37.232 1.00 0.00 S ATOM 0 H CYS A 31 39.273 10.031 -35.796 1.00 0.00 H new ATOM 0 HA CYS A 31 41.637 11.672 -36.494 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.234 9.750 -37.986 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.389 9.446 -36.267 1.00 0.00 H new ATOM 466 N LEU A 32 40.353 12.649 -38.334 1.00 0.00 N ATOM 467 CA LEU A 32 39.697 13.263 -39.485 1.00 0.00 C ATOM 468 C LEU A 32 40.402 12.876 -40.781 1.00 0.00 C ATOM 469 O LEU A 32 40.052 11.883 -41.418 1.00 0.00 O ATOM 470 CB LEU A 32 39.684 14.789 -39.336 1.00 0.00 C ATOM 471 CG LEU A 32 40.785 15.356 -38.437 1.00 0.00 C ATOM 472 CD1 LEU A 32 41.218 16.737 -38.900 1.00 0.00 C ATOM 473 CD2 LEU A 32 40.321 15.395 -36.988 1.00 0.00 C ATOM 0 H LEU A 32 40.969 13.278 -37.819 1.00 0.00 H new ATOM 0 HA LEU A 32 38.671 12.898 -39.526 1.00 0.00 H new ATOM 0 HB2 LEU A 32 39.776 15.237 -40.325 1.00 0.00 H new ATOM 0 HB3 LEU A 32 38.716 15.093 -38.937 1.00 0.00 H new ATOM 0 HG LEU A 32 41.650 14.696 -38.507 1.00 0.00 H new ATOM 0 HD11 LEU A 32 42.001 17.113 -38.241 1.00 0.00 H new ATOM 0 HD12 LEU A 32 41.600 16.676 -39.919 1.00 0.00 H new ATOM 0 HD13 LEU A 32 40.364 17.414 -38.872 1.00 0.00 H new ATOM 0 HD21 LEU A 32 41.116 15.801 -36.362 1.00 0.00 H new ATOM 0 HD22 LEU A 32 39.436 16.027 -36.906 1.00 0.00 H new ATOM 0 HD23 LEU A 32 40.078 14.385 -36.657 1.00 0.00 H new ATOM 485 N GLY A 33 41.399 13.667 -41.163 1.00 0.00 N ATOM 486 CA GLY A 33 42.137 13.390 -42.382 1.00 0.00 C ATOM 487 C GLY A 33 43.530 13.985 -42.367 1.00 0.00 C ATOM 488 O GLY A 33 44.474 13.388 -42.884 1.00 0.00 O ATOM 0 H GLY A 33 41.709 14.493 -40.652 1.00 0.00 H new ATOM 0 HA2 GLY A 33 42.208 12.311 -42.522 1.00 0.00 H new ATOM 0 HA3 GLY A 33 41.586 13.787 -43.234 1.00 0.00 H new ATOM 492 N ASN A 34 43.660 15.167 -41.776 1.00 0.00 N ATOM 493 CA ASN A 34 44.947 15.845 -41.699 1.00 0.00 C ATOM 494 C ASN A 34 45.603 15.624 -40.338 1.00 0.00 C ATOM 495 O ASN A 34 46.791 15.896 -40.160 1.00 0.00 O ATOM 496 CB ASN A 34 44.773 17.343 -41.959 1.00 0.00 C ATOM 497 CG ASN A 34 44.340 18.101 -40.719 1.00 0.00 C ATOM 498 OD1 ASN A 34 43.183 18.025 -40.304 1.00 0.00 O ATOM 499 ND2 ASN A 34 45.268 18.838 -40.122 1.00 0.00 N ATOM 0 H ASN A 34 42.889 15.675 -41.343 1.00 0.00 H new ATOM 0 HA ASN A 34 45.597 15.423 -42.465 1.00 0.00 H new ATOM 0 HB2 ASN A 34 45.713 17.757 -42.324 1.00 0.00 H new ATOM 0 HB3 ASN A 34 44.034 17.488 -42.747 1.00 0.00 H new ATOM 0 HD21 ASN A 34 45.035 19.371 -39.284 1.00 0.00 H new ATOM 0 HD22 ASN A 34 46.214 18.871 -40.501 1.00 0.00 H new ATOM 506 N GLY A 35 44.826 15.123 -39.381 1.00 0.00 N ATOM 507 CA GLY A 35 45.356 14.871 -38.054 1.00 0.00 C ATOM 508 C GLY A 35 44.278 14.522 -37.052 1.00 0.00 C ATOM 509 O GLY A 35 43.154 15.011 -37.136 1.00 0.00 O ATOM 0 H GLY A 35 43.841 14.888 -39.501 1.00 0.00 H new ATOM 0 HA2 GLY A 35 46.078 14.056 -38.104 1.00 0.00 H new ATOM 0 HA3 GLY A 35 45.895 15.753 -37.709 1.00 0.00 H new ATOM 513 N VAL A 36 44.632 13.676 -36.102 1.00 0.00 N ATOM 514 CA VAL A 36 43.701 13.243 -35.066 1.00 0.00 C ATOM 515 C VAL A 36 43.412 14.375 -34.080 1.00 0.00 C ATOM 516 O VAL A 36 44.329 15.010 -33.558 1.00 0.00 O ATOM 517 CB VAL A 36 44.240 11.996 -34.314 1.00 0.00 C ATOM 518 CG1 VAL A 36 43.783 11.965 -32.859 1.00 0.00 C ATOM 519 CG2 VAL A 36 43.811 10.728 -35.027 1.00 0.00 C ATOM 0 H VAL A 36 45.564 13.270 -36.023 1.00 0.00 H new ATOM 0 HA VAL A 36 42.767 12.968 -35.557 1.00 0.00 H new ATOM 0 HB VAL A 36 45.328 12.058 -34.313 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.183 11.076 -32.371 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.145 12.855 -32.345 1.00 0.00 H new ATOM 0 HG13 VAL A 36 42.694 11.941 -32.820 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.195 9.861 -34.490 1.00 0.00 H new ATOM 0 HG22 VAL A 36 42.723 10.680 -35.062 1.00 0.00 H new ATOM 0 HG23 VAL A 36 44.206 10.730 -36.043 1.00 0.00 H new ATOM 529 N SER A 37 42.128 14.615 -33.829 1.00 0.00 N ATOM 530 CA SER A 37 41.707 15.662 -32.906 1.00 0.00 C ATOM 531 C SER A 37 40.948 15.061 -31.728 1.00 0.00 C ATOM 532 O SER A 37 40.021 14.273 -31.914 1.00 0.00 O ATOM 533 CB SER A 37 40.827 16.684 -33.629 1.00 0.00 C ATOM 534 OG SER A 37 39.942 17.324 -32.726 1.00 0.00 O ATOM 0 H SER A 37 41.360 14.096 -34.254 1.00 0.00 H new ATOM 0 HA SER A 37 42.596 16.166 -32.528 1.00 0.00 H new ATOM 0 HB2 SER A 37 41.455 17.429 -34.117 1.00 0.00 H new ATOM 0 HB3 SER A 37 40.255 16.187 -34.413 1.00 0.00 H new ATOM 0 HG SER A 37 39.392 17.973 -33.212 1.00 0.00 H new ATOM 540 N CYS A 38 41.350 15.426 -30.516 1.00 0.00 N ATOM 541 CA CYS A 38 40.705 14.907 -29.315 1.00 0.00 C ATOM 542 C CYS A 38 40.337 16.027 -28.349 1.00 0.00 C ATOM 543 O CYS A 38 40.717 17.183 -28.539 1.00 0.00 O ATOM 544 CB CYS A 38 41.623 13.906 -28.614 1.00 0.00 C ATOM 545 SG CYS A 38 42.682 12.944 -29.739 1.00 0.00 S ATOM 0 H CYS A 38 42.116 16.076 -30.339 1.00 0.00 H new ATOM 0 HA CYS A 38 39.787 14.408 -29.623 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.257 14.444 -27.909 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.012 13.217 -28.031 1.00 0.00 H new ATOM 550 N GLN A 39 39.597 15.666 -27.305 1.00 0.00 N ATOM 551 CA GLN A 39 39.171 16.622 -26.291 1.00 0.00 C ATOM 552 C GLN A 39 39.016 15.930 -24.941 1.00 0.00 C ATOM 553 O GLN A 39 38.059 15.189 -24.717 1.00 0.00 O ATOM 554 CB GLN A 39 37.847 17.280 -26.694 1.00 0.00 C ATOM 555 CG GLN A 39 37.283 16.765 -28.008 1.00 0.00 C ATOM 556 CD GLN A 39 35.889 17.290 -28.289 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.580 18.464 -27.754 1.00 0.00 O flip ATOM 558 NE2 GLN A 39 35.099 16.646 -28.981 1.00 0.00 N flip ATOM 0 H GLN A 39 39.279 14.711 -27.140 1.00 0.00 H new ATOM 0 HA GLN A 39 39.935 17.395 -26.208 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.114 17.114 -25.904 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.995 18.357 -26.770 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.947 17.054 -28.822 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.260 15.675 -27.987 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.380 15.747 -29.373 1.00 0.00 H new ATOM 0 HE22 GLN A 39 34.164 17.012 -29.162 1.00 0.00 H new ATOM 567 N GLU A 40 39.970 16.168 -24.047 1.00 0.00 N ATOM 568 CA GLU A 40 39.944 15.560 -22.721 1.00 0.00 C ATOM 569 C GLU A 40 38.724 16.021 -21.930 1.00 0.00 C ATOM 570 O GLU A 40 38.152 17.073 -22.210 1.00 0.00 O ATOM 571 CB GLU A 40 41.225 15.899 -21.956 1.00 0.00 C ATOM 572 CG GLU A 40 41.154 17.213 -21.195 1.00 0.00 C ATOM 573 CD GLU A 40 42.455 17.989 -21.252 1.00 0.00 C ATOM 574 OE1 GLU A 40 43.352 17.588 -22.023 1.00 0.00 O ATOM 575 OE2 GLU A 40 42.578 18.997 -20.525 1.00 0.00 O ATOM 0 H GLU A 40 40.770 16.777 -24.216 1.00 0.00 H new ATOM 0 HA GLU A 40 39.881 14.479 -22.847 1.00 0.00 H new ATOM 0 HB2 GLU A 40 41.442 15.094 -21.254 1.00 0.00 H new ATOM 0 HB3 GLU A 40 42.057 15.941 -22.659 1.00 0.00 H new ATOM 0 HG2 GLU A 40 40.352 17.825 -21.607 1.00 0.00 H new ATOM 0 HG3 GLU A 40 40.900 17.013 -20.154 1.00 0.00 H new ATOM 582 N THR A 41 38.339 15.217 -20.940 1.00 0.00 N ATOM 583 CA THR A 41 37.191 15.523 -20.091 1.00 0.00 C ATOM 584 C THR A 41 35.915 14.886 -20.630 1.00 0.00 C ATOM 585 O THR A 41 35.203 14.190 -19.905 1.00 0.00 O ATOM 586 CB THR A 41 36.973 17.040 -19.945 1.00 0.00 C ATOM 587 OG1 THR A 41 38.215 17.688 -19.651 1.00 0.00 O ATOM 588 CG2 THR A 41 35.968 17.336 -18.842 1.00 0.00 C ATOM 0 H THR A 41 38.810 14.343 -20.706 1.00 0.00 H new ATOM 0 HA THR A 41 37.416 15.105 -19.110 1.00 0.00 H new ATOM 0 HB THR A 41 36.580 17.421 -20.887 1.00 0.00 H new ATOM 0 HG1 THR A 41 38.591 18.064 -20.474 1.00 0.00 H new ATOM 0 HG21 THR A 41 35.829 18.414 -18.756 1.00 0.00 H new ATOM 0 HG22 THR A 41 35.015 16.865 -19.082 1.00 0.00 H new ATOM 0 HG23 THR A 41 36.339 16.941 -17.896 1.00 0.00 H new ATOM 596 N ALA A 42 35.628 15.127 -21.904 1.00 0.00 N ATOM 597 CA ALA A 42 34.434 14.574 -22.531 1.00 0.00 C ATOM 598 C ALA A 42 33.180 15.325 -22.089 1.00 0.00 C ATOM 599 O ALA A 42 32.070 14.995 -22.506 1.00 0.00 O ATOM 600 CB ALA A 42 34.311 13.094 -22.203 1.00 0.00 C ATOM 0 H ALA A 42 36.204 15.700 -22.521 1.00 0.00 H new ATOM 0 HA ALA A 42 34.530 14.692 -23.610 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.416 12.690 -22.676 1.00 0.00 H new ATOM 0 HB2 ALA A 42 35.188 12.565 -22.575 1.00 0.00 H new ATOM 0 HB3 ALA A 42 34.240 12.965 -21.123 1.00 0.00 H new ATOM 606 N VAL A 43 33.364 16.336 -21.242 1.00 0.00 N ATOM 607 CA VAL A 43 32.246 17.132 -20.748 1.00 0.00 C ATOM 608 C VAL A 43 32.626 18.606 -20.637 1.00 0.00 C ATOM 609 O VAL A 43 33.740 18.997 -20.983 1.00 0.00 O ATOM 610 CB VAL A 43 31.763 16.634 -19.372 1.00 0.00 C ATOM 611 CG1 VAL A 43 31.630 15.120 -19.372 1.00 0.00 C ATOM 612 CG2 VAL A 43 32.706 17.093 -18.269 1.00 0.00 C ATOM 0 H VAL A 43 34.276 16.622 -20.885 1.00 0.00 H new ATOM 0 HA VAL A 43 31.437 17.020 -21.470 1.00 0.00 H new ATOM 0 HB VAL A 43 30.781 17.065 -19.177 1.00 0.00 H new ATOM 0 HG11 VAL A 43 31.288 14.785 -18.393 1.00 0.00 H new ATOM 0 HG12 VAL A 43 30.909 14.818 -20.131 1.00 0.00 H new ATOM 0 HG13 VAL A 43 32.598 14.670 -19.592 1.00 0.00 H new ATOM 0 HG21 VAL A 43 32.345 16.730 -17.307 1.00 0.00 H new ATOM 0 HG22 VAL A 43 33.704 16.696 -18.455 1.00 0.00 H new ATOM 0 HG23 VAL A 43 32.745 18.182 -18.254 1.00 0.00 H new ATOM 622 N THR A 44 31.691 19.420 -20.154 1.00 0.00 N ATOM 623 CA THR A 44 31.927 20.851 -19.999 1.00 0.00 C ATOM 624 C THR A 44 30.668 21.566 -19.522 1.00 0.00 C ATOM 625 O THR A 44 29.745 20.937 -19.003 1.00 0.00 O ATOM 626 CB THR A 44 32.393 21.490 -21.321 1.00 0.00 C ATOM 627 OG1 THR A 44 32.640 22.888 -21.131 1.00 0.00 O ATOM 628 CG2 THR A 44 31.350 21.299 -22.411 1.00 0.00 C ATOM 0 H THR A 44 30.763 19.112 -19.863 1.00 0.00 H new ATOM 0 HA THR A 44 32.713 20.963 -19.252 1.00 0.00 H new ATOM 0 HB THR A 44 33.315 20.998 -21.631 1.00 0.00 H new ATOM 0 HG1 THR A 44 33.147 23.021 -20.303 1.00 0.00 H new ATOM 0 HG21 THR A 44 31.701 21.758 -23.335 1.00 0.00 H new ATOM 0 HG22 THR A 44 31.186 20.234 -22.575 1.00 0.00 H new ATOM 0 HG23 THR A 44 30.414 21.768 -22.106 1.00 0.00 H new ATOM 636 N GLN A 45 30.639 22.882 -19.699 1.00 0.00 N ATOM 637 CA GLN A 45 29.493 23.685 -19.287 1.00 0.00 C ATOM 638 C GLN A 45 28.627 24.050 -20.488 1.00 0.00 C ATOM 639 O GLN A 45 29.136 24.290 -21.582 1.00 0.00 O ATOM 640 CB GLN A 45 29.961 24.957 -18.576 1.00 0.00 C ATOM 641 CG GLN A 45 31.070 24.717 -17.564 1.00 0.00 C ATOM 642 CD GLN A 45 31.735 26.002 -17.116 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.943 26.043 -16.884 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.946 27.064 -16.993 1.00 0.00 N ATOM 0 H GLN A 45 31.396 23.416 -20.125 1.00 0.00 H new ATOM 0 HA GLN A 45 28.895 23.091 -18.596 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.309 25.672 -19.321 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.111 25.413 -18.069 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.659 24.202 -16.695 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.819 24.057 -18.001 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.949 26.985 -17.196 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.337 27.958 -16.696 1.00 0.00 H new ATOM 653 N THR A 46 27.316 24.090 -20.275 1.00 0.00 N ATOM 654 CA THR A 46 26.379 24.426 -21.340 1.00 0.00 C ATOM 655 C THR A 46 25.703 25.766 -21.070 1.00 0.00 C ATOM 656 O THR A 46 25.414 26.105 -19.923 1.00 0.00 O ATOM 657 CB THR A 46 25.298 23.340 -21.500 1.00 0.00 C ATOM 658 OG1 THR A 46 24.972 22.782 -20.221 1.00 0.00 O ATOM 659 CG2 THR A 46 25.775 22.237 -22.434 1.00 0.00 C ATOM 0 H THR A 46 26.879 23.894 -19.375 1.00 0.00 H new ATOM 0 HA THR A 46 26.956 24.491 -22.263 1.00 0.00 H new ATOM 0 HB THR A 46 24.410 23.801 -21.932 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.998 22.765 -20.110 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.996 21.481 -22.532 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.996 22.660 -23.414 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.676 21.779 -22.026 1.00 0.00 H new ATOM 667 N TYR A 47 25.453 26.525 -22.132 1.00 0.00 N ATOM 668 CA TYR A 47 24.810 27.829 -22.003 1.00 0.00 C ATOM 669 C TYR A 47 24.157 28.255 -23.314 1.00 0.00 C ATOM 670 O TYR A 47 24.087 27.479 -24.267 1.00 0.00 O ATOM 671 CB TYR A 47 25.834 28.882 -21.574 1.00 0.00 C ATOM 672 CG TYR A 47 26.832 29.228 -22.656 1.00 0.00 C ATOM 673 CD1 TYR A 47 26.564 30.229 -23.582 1.00 0.00 C ATOM 674 CD2 TYR A 47 28.040 28.551 -22.755 1.00 0.00 C ATOM 675 CE1 TYR A 47 27.472 30.545 -24.574 1.00 0.00 C ATOM 676 CE2 TYR A 47 28.954 28.860 -23.744 1.00 0.00 C ATOM 677 CZ TYR A 47 28.665 29.858 -24.651 1.00 0.00 C ATOM 678 OH TYR A 47 29.571 30.170 -25.638 1.00 0.00 O ATOM 0 H TYR A 47 25.685 26.261 -23.090 1.00 0.00 H new ATOM 0 HA TYR A 47 24.034 27.745 -21.243 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.308 29.788 -21.273 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.371 28.519 -20.698 1.00 0.00 H new ATOM 0 HD1 TYR A 47 25.630 30.769 -23.525 1.00 0.00 H new ATOM 0 HD2 TYR A 47 28.269 27.769 -22.046 1.00 0.00 H new ATOM 0 HE1 TYR A 47 27.249 31.326 -25.286 1.00 0.00 H new ATOM 0 HE2 TYR A 47 29.889 28.323 -23.806 1.00 0.00 H new ATOM 0 HH TYR A 47 30.360 29.595 -25.552 1.00 0.00 H new ATOM 688 N GLY A 48 23.680 29.495 -23.350 1.00 0.00 N ATOM 689 CA GLY A 48 23.039 30.017 -24.543 1.00 0.00 C ATOM 690 C GLY A 48 22.208 28.978 -25.266 1.00 0.00 C ATOM 691 O GLY A 48 21.659 28.068 -24.645 1.00 0.00 O ATOM 0 H GLY A 48 23.726 30.151 -22.570 1.00 0.00 H new ATOM 0 HA2 GLY A 48 22.402 30.858 -24.269 1.00 0.00 H new ATOM 0 HA3 GLY A 48 23.801 30.402 -25.221 1.00 0.00 H new ATOM 695 N GLY A 49 22.114 29.118 -26.584 1.00 0.00 N ATOM 696 CA GLY A 49 21.340 28.181 -27.376 1.00 0.00 C ATOM 697 C GLY A 49 19.898 28.096 -26.918 1.00 0.00 C ATOM 698 O GLY A 49 19.537 28.648 -25.879 1.00 0.00 O ATOM 0 H GLY A 49 22.560 29.864 -27.118 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.369 28.483 -28.423 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.797 27.193 -27.316 1.00 0.00 H new ATOM 702 N ASN A 50 19.072 27.400 -27.691 1.00 0.00 N ATOM 703 CA ASN A 50 17.662 27.249 -27.353 1.00 0.00 C ATOM 704 C ASN A 50 17.505 26.585 -25.991 1.00 0.00 C ATOM 705 O ASN A 50 16.456 26.693 -25.353 1.00 0.00 O ATOM 706 CB ASN A 50 16.949 26.418 -28.420 1.00 0.00 C ATOM 707 CG ASN A 50 17.512 25.014 -28.526 1.00 0.00 C ATOM 708 OD1 ASN A 50 18.188 24.675 -29.498 1.00 0.00 O ATOM 709 ND2 ASN A 50 17.237 24.189 -27.523 1.00 0.00 N ATOM 0 H ASN A 50 19.353 26.933 -28.553 1.00 0.00 H new ATOM 0 HA ASN A 50 17.212 28.241 -27.313 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.886 26.364 -28.185 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.038 26.917 -29.385 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.590 23.232 -27.538 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.673 24.512 -26.737 1.00 0.00 H new ATOM 716 N SER A 51 18.555 25.903 -25.548 1.00 0.00 N ATOM 717 CA SER A 51 18.537 25.223 -24.258 1.00 0.00 C ATOM 718 C SER A 51 18.902 26.179 -23.126 1.00 0.00 C ATOM 719 O SER A 51 18.493 25.984 -21.982 1.00 0.00 O ATOM 720 CB SER A 51 19.499 24.036 -24.270 1.00 0.00 C ATOM 721 OG SER A 51 18.801 22.816 -24.449 1.00 0.00 O ATOM 0 H SER A 51 19.430 25.806 -26.063 1.00 0.00 H new ATOM 0 HA SER A 51 17.524 24.860 -24.085 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.228 24.163 -25.071 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.056 24.006 -23.334 1.00 0.00 H new ATOM 0 HG SER A 51 18.085 22.942 -25.106 1.00 0.00 H new ATOM 727 N ASN A 52 19.676 27.213 -23.454 1.00 0.00 N ATOM 728 CA ASN A 52 20.098 28.202 -22.469 1.00 0.00 C ATOM 729 C ASN A 52 21.091 27.605 -21.475 1.00 0.00 C ATOM 730 O ASN A 52 21.502 28.268 -20.523 1.00 0.00 O ATOM 731 CB ASN A 52 18.886 28.765 -21.725 1.00 0.00 C ATOM 732 CG ASN A 52 19.282 29.672 -20.576 1.00 0.00 C ATOM 733 OD1 ASN A 52 19.640 30.832 -20.781 1.00 0.00 O ATOM 734 ND2 ASN A 52 19.220 29.146 -19.358 1.00 0.00 N ATOM 0 H ASN A 52 20.023 27.386 -24.397 1.00 0.00 H new ATOM 0 HA ASN A 52 20.596 29.012 -23.003 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.260 29.321 -22.424 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.283 27.941 -21.343 1.00 0.00 H new ATOM 0 HD21 ASN A 52 19.475 29.708 -18.546 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.918 28.180 -19.235 1.00 0.00 H new ATOM 741 N GLY A 53 21.479 26.354 -21.704 1.00 0.00 N ATOM 742 CA GLY A 53 22.429 25.704 -20.819 1.00 0.00 C ATOM 743 C GLY A 53 22.021 24.291 -20.449 1.00 0.00 C ATOM 744 O GLY A 53 22.785 23.567 -19.810 1.00 0.00 O ATOM 0 H GLY A 53 21.154 25.781 -22.483 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.407 25.680 -21.299 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.534 26.296 -19.910 1.00 0.00 H new ATOM 748 N GLU A 54 20.819 23.894 -20.847 1.00 0.00 N ATOM 749 CA GLU A 54 20.322 22.557 -20.547 1.00 0.00 C ATOM 750 C GLU A 54 21.421 21.514 -20.729 1.00 0.00 C ATOM 751 O GLU A 54 22.416 21.757 -21.411 1.00 0.00 O ATOM 752 CB GLU A 54 19.129 22.219 -21.441 1.00 0.00 C ATOM 753 CG GLU A 54 17.858 22.962 -21.063 1.00 0.00 C ATOM 754 CD GLU A 54 16.659 22.521 -21.880 1.00 0.00 C ATOM 755 OE1 GLU A 54 16.811 21.597 -22.707 1.00 0.00 O ATOM 756 OE2 GLU A 54 15.568 23.099 -21.692 1.00 0.00 O ATOM 0 H GLU A 54 20.171 24.477 -21.377 1.00 0.00 H new ATOM 0 HA GLU A 54 20.001 22.542 -19.506 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.383 22.452 -22.475 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.941 21.146 -21.393 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.650 22.803 -20.005 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.013 24.032 -21.200 1.00 0.00 H new ATOM 763 N PRO A 55 21.249 20.336 -20.112 1.00 0.00 N ATOM 764 CA PRO A 55 22.226 19.244 -20.198 1.00 0.00 C ATOM 765 C PRO A 55 22.263 18.606 -21.583 1.00 0.00 C ATOM 766 O PRO A 55 21.313 18.723 -22.357 1.00 0.00 O ATOM 767 CB PRO A 55 21.722 18.238 -19.162 1.00 0.00 C ATOM 768 CG PRO A 55 20.260 18.501 -19.057 1.00 0.00 C ATOM 769 CD PRO A 55 20.088 19.978 -19.281 1.00 0.00 C ATOM 0 HA PRO A 55 23.243 19.592 -20.018 1.00 0.00 H new ATOM 0 HB2 PRO A 55 21.918 17.213 -19.478 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.219 18.376 -18.202 1.00 0.00 H new ATOM 0 HG2 PRO A 55 19.706 17.927 -19.799 1.00 0.00 H new ATOM 0 HG3 PRO A 55 19.880 18.208 -18.078 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.148 20.201 -19.787 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.082 20.529 -18.340 1.00 0.00 H new ATOM 777 N CYS A 56 23.367 17.930 -21.889 1.00 0.00 N ATOM 778 CA CYS A 56 23.526 17.274 -23.181 1.00 0.00 C ATOM 779 C CYS A 56 22.907 15.880 -23.163 1.00 0.00 C ATOM 780 O CYS A 56 22.176 15.527 -22.238 1.00 0.00 O ATOM 781 CB CYS A 56 25.006 17.195 -23.557 1.00 0.00 C ATOM 782 SG CYS A 56 25.854 18.807 -23.562 1.00 0.00 S ATOM 0 H CYS A 56 24.163 17.823 -21.260 1.00 0.00 H new ATOM 0 HA CYS A 56 23.004 17.868 -23.932 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.513 16.531 -22.857 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.096 16.745 -24.546 1.00 0.00 H new ATOM 787 N VAL A 57 23.193 15.095 -24.196 1.00 0.00 N ATOM 788 CA VAL A 57 22.649 13.747 -24.301 1.00 0.00 C ATOM 789 C VAL A 57 23.510 12.866 -25.200 1.00 0.00 C ATOM 790 O VAL A 57 23.015 12.258 -26.149 1.00 0.00 O ATOM 791 CB VAL A 57 21.212 13.776 -24.854 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.220 14.072 -26.346 1.00 0.00 C ATOM 793 CG2 VAL A 57 20.501 12.462 -24.565 1.00 0.00 C ATOM 0 H VAL A 57 23.797 15.369 -24.971 1.00 0.00 H new ATOM 0 HA VAL A 57 22.644 13.327 -23.295 1.00 0.00 H new ATOM 0 HB VAL A 57 20.665 14.574 -24.353 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.196 14.088 -26.719 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.686 15.041 -26.522 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.784 13.298 -26.867 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.487 12.502 -24.963 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.044 11.643 -25.036 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.462 12.299 -23.488 1.00 0.00 H new ATOM 803 N LEU A 58 24.799 12.795 -24.894 1.00 0.00 N ATOM 804 CA LEU A 58 25.721 11.978 -25.679 1.00 0.00 C ATOM 805 C LEU A 58 25.951 10.625 -25.013 1.00 0.00 C ATOM 806 O LEU A 58 25.690 10.458 -23.821 1.00 0.00 O ATOM 807 CB LEU A 58 27.061 12.697 -25.883 1.00 0.00 C ATOM 808 CG LEU A 58 27.413 13.759 -24.838 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.493 14.962 -24.966 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.349 13.173 -23.435 1.00 0.00 C ATOM 0 H LEU A 58 25.230 13.289 -24.113 1.00 0.00 H new ATOM 0 HA LEU A 58 25.265 11.814 -26.655 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.854 11.950 -25.896 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.052 13.170 -26.865 1.00 0.00 H new ATOM 0 HG LEU A 58 28.435 14.093 -25.019 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.759 15.705 -24.215 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.599 15.397 -25.960 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.460 14.648 -24.815 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.602 13.944 -22.707 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.341 12.806 -23.239 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.057 12.349 -23.352 1.00 0.00 H new ATOM 822 N PRO A 59 26.436 9.634 -25.779 1.00 0.00 N ATOM 823 CA PRO A 59 26.755 9.806 -27.201 1.00 0.00 C ATOM 824 C PRO A 59 25.519 10.003 -28.069 1.00 0.00 C ATOM 825 O PRO A 59 24.602 9.182 -28.058 1.00 0.00 O ATOM 826 CB PRO A 59 27.443 8.493 -27.575 1.00 0.00 C ATOM 827 CG PRO A 59 26.939 7.502 -26.587 1.00 0.00 C ATOM 828 CD PRO A 59 26.722 8.267 -25.313 1.00 0.00 C ATOM 0 HA PRO A 59 27.363 10.696 -27.363 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.198 8.195 -28.594 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.528 8.586 -27.523 1.00 0.00 H new ATOM 0 HG2 PRO A 59 26.011 7.044 -26.931 1.00 0.00 H new ATOM 0 HG3 PRO A 59 27.658 6.695 -26.441 1.00 0.00 H new ATOM 0 HD2 PRO A 59 25.893 7.858 -24.735 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.603 8.237 -24.672 1.00 0.00 H new ATOM 836 N PHE A 60 25.511 11.086 -28.837 1.00 0.00 N ATOM 837 CA PHE A 60 24.399 11.377 -29.732 1.00 0.00 C ATOM 838 C PHE A 60 24.844 11.205 -31.180 1.00 0.00 C ATOM 839 O PHE A 60 26.007 10.902 -31.442 1.00 0.00 O ATOM 840 CB PHE A 60 23.875 12.796 -29.504 1.00 0.00 C ATOM 841 CG PHE A 60 24.957 13.833 -29.418 1.00 0.00 C ATOM 842 CD1 PHE A 60 25.624 14.253 -30.557 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.303 14.392 -28.198 1.00 0.00 C ATOM 844 CE1 PHE A 60 26.617 15.210 -30.481 1.00 0.00 C ATOM 845 CE2 PHE A 60 26.295 15.349 -28.116 1.00 0.00 C ATOM 846 CZ PHE A 60 26.953 15.758 -29.259 1.00 0.00 C ATOM 0 H PHE A 60 26.262 11.776 -28.858 1.00 0.00 H new ATOM 0 HA PHE A 60 23.590 10.678 -29.520 1.00 0.00 H new ATOM 0 HB2 PHE A 60 23.197 13.058 -30.316 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.292 12.815 -28.583 1.00 0.00 H new ATOM 0 HD1 PHE A 60 25.365 13.827 -31.515 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.791 14.076 -27.301 1.00 0.00 H new ATOM 0 HE1 PHE A 60 27.130 15.529 -31.376 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.556 15.777 -27.159 1.00 0.00 H new ATOM 0 HZ PHE A 60 27.730 16.506 -29.197 1.00 0.00 H new ATOM 856 N THR A 61 23.923 11.392 -32.117 1.00 0.00 N ATOM 857 CA THR A 61 24.248 11.247 -33.529 1.00 0.00 C ATOM 858 C THR A 61 23.873 12.497 -34.313 1.00 0.00 C ATOM 859 O THR A 61 22.750 12.992 -34.212 1.00 0.00 O ATOM 860 CB THR A 61 23.534 10.032 -34.151 1.00 0.00 C ATOM 861 OG1 THR A 61 22.924 9.243 -33.123 1.00 0.00 O ATOM 862 CG2 THR A 61 24.513 9.177 -34.941 1.00 0.00 C ATOM 0 H THR A 61 22.953 11.642 -31.927 1.00 0.00 H new ATOM 0 HA THR A 61 25.326 11.095 -33.588 1.00 0.00 H new ATOM 0 HB THR A 61 22.765 10.398 -34.831 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.471 8.474 -33.527 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.987 8.325 -35.371 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.954 9.773 -35.740 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.301 8.820 -34.278 1.00 0.00 H new ATOM 870 N TYR A 62 24.820 12.999 -35.096 1.00 0.00 N ATOM 871 CA TYR A 62 24.589 14.188 -35.902 1.00 0.00 C ATOM 872 C TYR A 62 25.372 14.115 -37.208 1.00 0.00 C ATOM 873 O TYR A 62 26.583 13.892 -37.207 1.00 0.00 O ATOM 874 CB TYR A 62 24.984 15.446 -35.127 1.00 0.00 C ATOM 875 CG TYR A 62 24.905 16.710 -35.953 1.00 0.00 C ATOM 876 CD1 TYR A 62 23.680 17.279 -36.271 1.00 0.00 C ATOM 877 CD2 TYR A 62 26.058 17.331 -36.415 1.00 0.00 C ATOM 878 CE1 TYR A 62 23.604 18.434 -37.026 1.00 0.00 C ATOM 879 CE2 TYR A 62 25.991 18.487 -37.171 1.00 0.00 C ATOM 880 CZ TYR A 62 24.762 19.033 -37.473 1.00 0.00 C ATOM 881 OH TYR A 62 24.691 20.183 -38.226 1.00 0.00 O ATOM 0 H TYR A 62 25.754 12.600 -35.189 1.00 0.00 H new ATOM 0 HA TYR A 62 23.525 14.237 -36.135 1.00 0.00 H new ATOM 0 HB2 TYR A 62 24.334 15.547 -34.258 1.00 0.00 H new ATOM 0 HB3 TYR A 62 26.001 15.329 -34.752 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.771 16.811 -35.923 1.00 0.00 H new ATOM 0 HD2 TYR A 62 27.022 16.904 -36.180 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.643 18.865 -37.264 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.896 18.959 -37.523 1.00 0.00 H new ATOM 0 HH TYR A 62 23.893 20.692 -37.972 1.00 0.00 H new ATOM 891 N ASN A 63 24.672 14.298 -38.321 1.00 0.00 N ATOM 892 CA ASN A 63 25.298 14.250 -39.637 1.00 0.00 C ATOM 893 C ASN A 63 25.679 12.821 -40.013 1.00 0.00 C ATOM 894 O ASN A 63 26.234 12.580 -41.085 1.00 0.00 O ATOM 895 CB ASN A 63 26.539 15.143 -39.667 1.00 0.00 C ATOM 896 CG ASN A 63 26.370 16.335 -40.589 1.00 0.00 C ATOM 897 OD1 ASN A 63 25.630 16.273 -41.570 1.00 0.00 O ATOM 898 ND2 ASN A 63 27.057 17.426 -40.276 1.00 0.00 N ATOM 0 H ASN A 63 23.669 14.481 -38.339 1.00 0.00 H new ATOM 0 HA ASN A 63 24.575 14.616 -40.366 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.755 15.495 -38.658 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.398 14.556 -39.990 1.00 0.00 H new ATOM 0 HD21 ASN A 63 26.984 18.260 -40.859 1.00 0.00 H new ATOM 0 HD22 ASN A 63 27.659 17.431 -39.452 1.00 0.00 H new ATOM 905 N GLY A 64 25.373 11.874 -39.130 1.00 0.00 N ATOM 906 CA GLY A 64 25.689 10.484 -39.399 1.00 0.00 C ATOM 907 C GLY A 64 26.759 9.934 -38.476 1.00 0.00 C ATOM 908 O GLY A 64 27.026 8.732 -38.477 1.00 0.00 O ATOM 0 H GLY A 64 24.913 12.045 -38.236 1.00 0.00 H new ATOM 0 HA2 GLY A 64 24.784 9.884 -39.297 1.00 0.00 H new ATOM 0 HA3 GLY A 64 26.022 10.385 -40.432 1.00 0.00 H new ATOM 912 N ARG A 65 27.374 10.809 -37.685 1.00 0.00 N ATOM 913 CA ARG A 65 28.420 10.387 -36.759 1.00 0.00 C ATOM 914 C ARG A 65 27.920 10.409 -35.319 1.00 0.00 C ATOM 915 O ARG A 65 26.717 10.486 -35.071 1.00 0.00 O ATOM 916 CB ARG A 65 29.654 11.281 -36.899 1.00 0.00 C ATOM 917 CG ARG A 65 29.417 12.724 -36.483 1.00 0.00 C ATOM 918 CD ARG A 65 30.053 13.694 -37.462 1.00 0.00 C ATOM 919 NE ARG A 65 29.857 13.266 -38.841 1.00 0.00 N ATOM 920 CZ ARG A 65 30.574 13.717 -39.865 1.00 0.00 C ATOM 921 NH1 ARG A 65 31.541 14.600 -39.663 1.00 0.00 N ATOM 922 NH2 ARG A 65 30.327 13.278 -41.092 1.00 0.00 N ATOM 0 H ARG A 65 27.168 11.808 -37.666 1.00 0.00 H new ATOM 0 HA ARG A 65 28.695 9.363 -37.011 1.00 0.00 H new ATOM 0 HB2 ARG A 65 30.462 10.867 -36.295 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.989 11.262 -37.936 1.00 0.00 H new ATOM 0 HG2 ARG A 65 28.346 12.916 -36.423 1.00 0.00 H new ATOM 0 HG3 ARG A 65 29.827 12.889 -35.487 1.00 0.00 H new ATOM 0 HD2 ARG A 65 29.624 14.686 -37.323 1.00 0.00 H new ATOM 0 HD3 ARG A 65 31.120 13.776 -37.253 1.00 0.00 H new ATOM 0 HE ARG A 65 29.127 12.580 -39.032 1.00 0.00 H new ATOM 0 HH11 ARG A 65 31.737 14.935 -38.720 1.00 0.00 H new ATOM 0 HH12 ARG A 65 32.090 14.944 -40.451 1.00 0.00 H new ATOM 0 HH21 ARG A 65 29.587 12.594 -41.250 1.00 0.00 H new ATOM 0 HH22 ARG A 65 30.877 13.624 -41.878 1.00 0.00 H new ATOM 936 N THR A 66 28.850 10.338 -34.373 1.00 0.00 N ATOM 937 CA THR A 66 28.503 10.344 -32.955 1.00 0.00 C ATOM 938 C THR A 66 29.514 11.148 -32.145 1.00 0.00 C ATOM 939 O THR A 66 30.696 11.199 -32.485 1.00 0.00 O ATOM 940 CB THR A 66 28.427 8.910 -32.391 1.00 0.00 C ATOM 941 OG1 THR A 66 27.634 8.085 -33.254 1.00 0.00 O ATOM 942 CG2 THR A 66 27.828 8.905 -30.992 1.00 0.00 C ATOM 0 H THR A 66 29.850 10.276 -34.562 1.00 0.00 H new ATOM 0 HA THR A 66 27.522 10.812 -32.869 1.00 0.00 H new ATOM 0 HB THR A 66 29.441 8.514 -32.336 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.592 7.176 -32.890 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.786 7.882 -30.618 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.448 9.509 -30.329 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.821 9.321 -31.026 1.00 0.00 H new ATOM 950 N PHE A 67 29.043 11.781 -31.075 1.00 0.00 N ATOM 951 CA PHE A 67 29.909 12.589 -30.224 1.00 0.00 C ATOM 952 C PHE A 67 29.645 12.314 -28.745 1.00 0.00 C ATOM 953 O PHE A 67 28.496 12.163 -28.326 1.00 0.00 O ATOM 954 CB PHE A 67 29.701 14.074 -30.527 1.00 0.00 C ATOM 955 CG PHE A 67 29.427 14.353 -31.979 1.00 0.00 C ATOM 956 CD1 PHE A 67 28.299 13.834 -32.597 1.00 0.00 C ATOM 957 CD2 PHE A 67 30.298 15.131 -32.725 1.00 0.00 C ATOM 958 CE1 PHE A 67 28.047 14.087 -33.932 1.00 0.00 C ATOM 959 CE2 PHE A 67 30.050 15.387 -34.061 1.00 0.00 C ATOM 960 CZ PHE A 67 28.923 14.863 -34.664 1.00 0.00 C ATOM 0 H PHE A 67 28.068 11.750 -30.777 1.00 0.00 H new ATOM 0 HA PHE A 67 30.943 12.318 -30.438 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.869 14.446 -29.930 1.00 0.00 H new ATOM 0 HB3 PHE A 67 30.588 14.628 -30.219 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.611 13.226 -32.029 1.00 0.00 H new ATOM 0 HD2 PHE A 67 31.181 15.542 -32.258 1.00 0.00 H new ATOM 0 HE1 PHE A 67 27.165 13.678 -34.402 1.00 0.00 H new ATOM 0 HE2 PHE A 67 30.736 15.995 -34.632 1.00 0.00 H new ATOM 0 HZ PHE A 67 28.727 15.060 -35.708 1.00 0.00 H new ATOM 970 N TYR A 68 30.719 12.253 -27.960 1.00 0.00 N ATOM 971 CA TYR A 68 30.613 11.999 -26.526 1.00 0.00 C ATOM 972 C TYR A 68 30.491 13.304 -25.747 1.00 0.00 C ATOM 973 O TYR A 68 30.388 13.296 -24.520 1.00 0.00 O ATOM 974 CB TYR A 68 31.833 11.215 -26.037 1.00 0.00 C ATOM 975 CG TYR A 68 31.861 9.778 -26.504 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.738 9.194 -27.071 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.010 9.008 -26.379 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.756 7.880 -27.501 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.038 7.694 -26.805 1.00 0.00 C ATOM 980 CZ TYR A 68 31.908 7.135 -27.365 1.00 0.00 C ATOM 981 OH TYR A 68 31.931 5.827 -27.792 1.00 0.00 O ATOM 0 H TYR A 68 31.675 12.376 -28.295 1.00 0.00 H new ATOM 0 HA TYR A 68 29.713 11.409 -26.353 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.738 11.717 -26.381 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.853 11.234 -24.947 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.834 9.775 -27.178 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.896 9.444 -25.942 1.00 0.00 H new ATOM 0 HE1 TYR A 68 29.873 7.440 -27.941 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.939 7.108 -26.700 1.00 0.00 H new ATOM 0 HH TYR A 68 32.818 5.444 -27.625 1.00 0.00 H new ATOM 991 N SER A 69 30.501 14.423 -26.463 1.00 0.00 N ATOM 992 CA SER A 69 30.391 15.732 -25.834 1.00 0.00 C ATOM 993 C SER A 69 30.089 16.805 -26.871 1.00 0.00 C ATOM 994 O SER A 69 29.802 16.502 -28.029 1.00 0.00 O ATOM 995 CB SER A 69 31.684 16.075 -25.092 1.00 0.00 C ATOM 996 OG SER A 69 32.606 15.000 -25.148 1.00 0.00 O ATOM 0 H SER A 69 30.584 14.449 -27.479 1.00 0.00 H new ATOM 0 HA SER A 69 29.569 15.698 -25.119 1.00 0.00 H new ATOM 0 HB2 SER A 69 32.133 16.966 -25.531 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.458 16.311 -24.052 1.00 0.00 H new ATOM 0 HG SER A 69 32.459 14.403 -24.385 1.00 0.00 H new ATOM 1002 N CYS A 70 30.159 18.061 -26.448 1.00 0.00 N ATOM 1003 CA CYS A 70 29.899 19.180 -27.340 1.00 0.00 C ATOM 1004 C CYS A 70 30.640 18.996 -28.659 1.00 0.00 C ATOM 1005 O CYS A 70 31.409 18.048 -28.820 1.00 0.00 O ATOM 1006 CB CYS A 70 30.319 20.492 -26.675 1.00 0.00 C ATOM 1007 SG CYS A 70 29.884 20.604 -24.909 1.00 0.00 S ATOM 0 H CYS A 70 30.394 18.329 -25.492 1.00 0.00 H new ATOM 0 HA CYS A 70 28.830 19.217 -27.548 1.00 0.00 H new ATOM 0 HB2 CYS A 70 31.397 20.612 -26.781 1.00 0.00 H new ATOM 0 HB3 CYS A 70 29.853 21.322 -27.206 1.00 0.00 H new ATOM 1012 N THR A 71 30.403 19.899 -29.603 1.00 0.00 N ATOM 1013 CA THR A 71 31.051 19.819 -30.905 1.00 0.00 C ATOM 1014 C THR A 71 30.799 21.075 -31.731 1.00 0.00 C ATOM 1015 O THR A 71 30.063 21.970 -31.315 1.00 0.00 O ATOM 1016 CB THR A 71 30.561 18.594 -31.698 1.00 0.00 C ATOM 1017 OG1 THR A 71 31.314 18.460 -32.910 1.00 0.00 O ATOM 1018 CG2 THR A 71 29.082 18.722 -32.029 1.00 0.00 C ATOM 0 H THR A 71 29.770 20.691 -29.492 1.00 0.00 H new ATOM 0 HA THR A 71 32.120 19.723 -30.717 1.00 0.00 H new ATOM 0 HB THR A 71 30.706 17.708 -31.080 1.00 0.00 H new ATOM 0 HG1 THR A 71 31.126 17.589 -33.317 1.00 0.00 H new ATOM 0 HG21 THR A 71 28.757 17.845 -32.589 1.00 0.00 H new ATOM 0 HG22 THR A 71 28.508 18.796 -31.106 1.00 0.00 H new ATOM 0 HG23 THR A 71 28.920 19.617 -32.629 1.00 0.00 H new ATOM 1026 N THR A 72 31.415 21.130 -32.905 1.00 0.00 N ATOM 1027 CA THR A 72 31.261 22.270 -33.799 1.00 0.00 C ATOM 1028 C THR A 72 31.118 21.810 -35.248 1.00 0.00 C ATOM 1029 O THR A 72 31.860 22.250 -36.125 1.00 0.00 O ATOM 1030 CB THR A 72 32.461 23.228 -33.697 1.00 0.00 C ATOM 1031 OG1 THR A 72 33.678 22.483 -33.578 1.00 0.00 O ATOM 1032 CG2 THR A 72 32.309 24.159 -32.506 1.00 0.00 C ATOM 0 H THR A 72 32.028 20.396 -33.261 1.00 0.00 H new ATOM 0 HA THR A 72 30.357 22.796 -33.492 1.00 0.00 H new ATOM 0 HB THR A 72 32.495 23.829 -34.605 1.00 0.00 H new ATOM 0 HG1 THR A 72 34.435 23.102 -33.515 1.00 0.00 H new ATOM 0 HG21 THR A 72 33.169 24.827 -32.454 1.00 0.00 H new ATOM 0 HG22 THR A 72 31.399 24.748 -32.618 1.00 0.00 H new ATOM 0 HG23 THR A 72 32.250 23.571 -31.590 1.00 0.00 H new ATOM 1040 N GLU A 73 30.164 20.916 -35.488 1.00 0.00 N ATOM 1041 CA GLU A 73 29.927 20.387 -36.828 1.00 0.00 C ATOM 1042 C GLU A 73 28.624 20.925 -37.412 1.00 0.00 C ATOM 1043 O GLU A 73 28.144 20.441 -38.436 1.00 0.00 O ATOM 1044 CB GLU A 73 29.877 18.860 -36.788 1.00 0.00 C ATOM 1045 CG GLU A 73 31.211 18.200 -37.091 1.00 0.00 C ATOM 1046 CD GLU A 73 31.331 17.764 -38.539 1.00 0.00 C ATOM 1047 OE1 GLU A 73 30.421 18.087 -39.333 1.00 0.00 O ATOM 1048 OE2 GLU A 73 32.331 17.099 -38.878 1.00 0.00 O ATOM 0 H GLU A 73 29.542 20.542 -34.772 1.00 0.00 H new ATOM 0 HA GLU A 73 30.750 20.710 -37.466 1.00 0.00 H new ATOM 0 HB2 GLU A 73 29.539 18.542 -35.802 1.00 0.00 H new ATOM 0 HB3 GLU A 73 29.136 18.510 -37.507 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.017 18.895 -36.857 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.339 17.333 -36.443 1.00 0.00 H new ATOM 1055 N GLY A 74 28.058 21.927 -36.753 1.00 0.00 N ATOM 1056 CA GLY A 74 26.815 22.512 -37.220 1.00 0.00 C ATOM 1057 C GLY A 74 26.407 23.730 -36.417 1.00 0.00 C ATOM 1058 O GLY A 74 25.441 23.687 -35.655 1.00 0.00 O ATOM 0 H GLY A 74 28.437 22.346 -35.903 1.00 0.00 H new ATOM 0 HA2 GLY A 74 26.920 22.791 -38.268 1.00 0.00 H new ATOM 0 HA3 GLY A 74 26.023 21.765 -37.167 1.00 0.00 H new ATOM 1062 N ARG A 75 27.143 24.819 -36.593 1.00 0.00 N ATOM 1063 CA ARG A 75 26.856 26.061 -35.887 1.00 0.00 C ATOM 1064 C ARG A 75 27.008 27.258 -36.819 1.00 0.00 C ATOM 1065 O ARG A 75 27.738 27.198 -37.808 1.00 0.00 O ATOM 1066 CB ARG A 75 27.785 26.214 -34.682 1.00 0.00 C ATOM 1067 CG ARG A 75 29.243 25.927 -34.998 1.00 0.00 C ATOM 1068 CD ARG A 75 30.086 25.882 -33.739 1.00 0.00 C ATOM 1069 NE ARG A 75 31.292 26.696 -33.857 1.00 0.00 N ATOM 1070 CZ ARG A 75 32.186 26.566 -34.834 1.00 0.00 C ATOM 1071 NH1 ARG A 75 32.033 25.629 -35.762 1.00 0.00 N ATOM 1072 NH2 ARG A 75 33.240 27.367 -34.880 1.00 0.00 N ATOM 0 H ARG A 75 27.946 24.868 -37.221 1.00 0.00 H new ATOM 0 HA ARG A 75 25.825 26.024 -35.536 1.00 0.00 H new ATOM 0 HB2 ARG A 75 27.699 27.229 -34.294 1.00 0.00 H new ATOM 0 HB3 ARG A 75 27.454 25.541 -33.891 1.00 0.00 H new ATOM 0 HG2 ARG A 75 29.322 24.976 -35.524 1.00 0.00 H new ATOM 0 HG3 ARG A 75 29.629 26.695 -35.668 1.00 0.00 H new ATOM 0 HD2 ARG A 75 29.494 26.233 -32.894 1.00 0.00 H new ATOM 0 HD3 ARG A 75 30.365 24.850 -33.527 1.00 0.00 H new ATOM 0 HE ARG A 75 31.460 27.408 -33.147 1.00 0.00 H new ATOM 0 HH11 ARG A 75 31.227 25.005 -35.728 1.00 0.00 H new ATOM 0 HH12 ARG A 75 32.721 25.534 -36.509 1.00 0.00 H new ATOM 0 HH21 ARG A 75 33.367 28.084 -34.166 1.00 0.00 H new ATOM 0 HH22 ARG A 75 33.925 27.266 -35.629 1.00 0.00 H new ATOM 1086 N GLN A 76 26.310 28.342 -36.500 1.00 0.00 N ATOM 1087 CA GLN A 76 26.363 29.550 -37.314 1.00 0.00 C ATOM 1088 C GLN A 76 26.800 30.752 -36.486 1.00 0.00 C ATOM 1089 O GLN A 76 26.115 31.774 -36.443 1.00 0.00 O ATOM 1090 CB GLN A 76 24.997 29.817 -37.946 1.00 0.00 C ATOM 1091 CG GLN A 76 24.279 28.549 -38.374 1.00 0.00 C ATOM 1092 CD GLN A 76 22.985 28.830 -39.113 1.00 0.00 C ATOM 1093 OE1 GLN A 76 22.389 29.897 -38.963 1.00 0.00 O ATOM 1094 NE2 GLN A 76 22.544 27.869 -39.916 1.00 0.00 N ATOM 0 H GLN A 76 25.701 28.409 -35.684 1.00 0.00 H new ATOM 0 HA GLN A 76 27.100 29.396 -38.102 1.00 0.00 H new ATOM 0 HB2 GLN A 76 24.373 30.357 -37.234 1.00 0.00 H new ATOM 0 HB3 GLN A 76 25.125 30.465 -38.813 1.00 0.00 H new ATOM 0 HG2 GLN A 76 24.938 27.962 -39.014 1.00 0.00 H new ATOM 0 HG3 GLN A 76 24.066 27.942 -37.494 1.00 0.00 H new ATOM 0 HE21 GLN A 76 23.071 27.001 -40.009 1.00 0.00 H new ATOM 0 HE22 GLN A 76 21.678 27.999 -40.439 1.00 0.00 H new ATOM 1103 N ASP A 77 27.949 30.622 -35.831 1.00 0.00 N ATOM 1104 CA ASP A 77 28.485 31.697 -35.003 1.00 0.00 C ATOM 1105 C ASP A 77 29.908 31.384 -34.557 1.00 0.00 C ATOM 1106 O ASP A 77 30.826 32.176 -34.768 1.00 0.00 O ATOM 1107 CB ASP A 77 27.592 31.924 -33.782 1.00 0.00 C ATOM 1108 CG ASP A 77 27.462 33.393 -33.427 1.00 0.00 C ATOM 1109 OD1 ASP A 77 26.561 34.058 -33.977 1.00 0.00 O ATOM 1110 OD2 ASP A 77 28.262 33.876 -32.600 1.00 0.00 O ATOM 0 H ASP A 77 28.527 29.782 -35.857 1.00 0.00 H new ATOM 0 HA ASP A 77 28.505 32.607 -35.603 1.00 0.00 H new ATOM 0 HB2 ASP A 77 26.602 31.511 -33.977 1.00 0.00 H new ATOM 0 HB3 ASP A 77 28.001 31.382 -32.930 1.00 0.00 H new ATOM 1115 N GLY A 78 30.080 30.225 -33.936 1.00 0.00 N ATOM 1116 CA GLY A 78 31.393 29.821 -33.465 1.00 0.00 C ATOM 1117 C GLY A 78 31.380 29.397 -32.009 1.00 0.00 C ATOM 1118 O GLY A 78 32.368 29.572 -31.295 1.00 0.00 O ATOM 0 H GLY A 78 29.334 29.555 -33.749 1.00 0.00 H new ATOM 0 HA2 GLY A 78 31.758 28.996 -34.077 1.00 0.00 H new ATOM 0 HA3 GLY A 78 32.092 30.647 -33.594 1.00 0.00 H new ATOM 1122 N HIS A 79 30.257 28.838 -31.568 1.00 0.00 N ATOM 1123 CA HIS A 79 30.118 28.386 -30.188 1.00 0.00 C ATOM 1124 C HIS A 79 29.817 26.892 -30.128 1.00 0.00 C ATOM 1125 O HIS A 79 28.816 26.431 -30.677 1.00 0.00 O ATOM 1126 CB HIS A 79 29.000 29.164 -29.491 1.00 0.00 C ATOM 1127 CG HIS A 79 28.964 30.616 -29.855 1.00 0.00 C ATOM 1128 ND1 HIS A 79 30.097 31.350 -30.134 1.00 0.00 N ATOM 1129 CD2 HIS A 79 27.921 31.470 -29.987 1.00 0.00 C ATOM 1130 CE1 HIS A 79 29.753 32.593 -30.421 1.00 0.00 C ATOM 1131 NE2 HIS A 79 28.439 32.691 -30.340 1.00 0.00 N ATOM 0 H HIS A 79 29.430 28.687 -32.146 1.00 0.00 H new ATOM 0 HA HIS A 79 31.063 28.569 -29.676 1.00 0.00 H new ATOM 0 HB2 HIS A 79 28.041 28.711 -29.743 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.122 29.071 -28.412 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.877 31.234 -29.842 1.00 0.00 H new ATOM 0 HE1 HIS A 79 30.432 33.393 -30.678 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.896 33.537 -30.512 1.00 0.00 H new ATOM 1140 N LEU A 80 30.678 26.139 -29.450 1.00 0.00 N ATOM 1141 CA LEU A 80 30.483 24.703 -29.318 1.00 0.00 C ATOM 1142 C LEU A 80 29.031 24.405 -28.965 1.00 0.00 C ATOM 1143 O LEU A 80 28.307 25.285 -28.500 1.00 0.00 O ATOM 1144 CB LEU A 80 31.412 24.136 -28.242 1.00 0.00 C ATOM 1145 CG LEU A 80 32.795 23.713 -28.740 1.00 0.00 C ATOM 1146 CD1 LEU A 80 33.476 24.863 -29.466 1.00 0.00 C ATOM 1147 CD2 LEU A 80 33.651 23.231 -27.578 1.00 0.00 C ATOM 0 H LEU A 80 31.512 26.499 -28.987 1.00 0.00 H new ATOM 0 HA LEU A 80 30.722 24.229 -30.270 1.00 0.00 H new ATOM 0 HB2 LEU A 80 31.537 24.885 -27.460 1.00 0.00 H new ATOM 0 HB3 LEU A 80 30.928 23.274 -27.783 1.00 0.00 H new ATOM 0 HG LEU A 80 32.673 22.890 -29.444 1.00 0.00 H new ATOM 0 HD11 LEU A 80 34.459 24.543 -29.813 1.00 0.00 H new ATOM 0 HD12 LEU A 80 32.870 25.164 -30.320 1.00 0.00 H new ATOM 0 HD13 LEU A 80 33.588 25.707 -28.786 1.00 0.00 H new ATOM 0 HD21 LEU A 80 34.632 22.933 -27.948 1.00 0.00 H new ATOM 0 HD22 LEU A 80 33.766 24.036 -26.852 1.00 0.00 H new ATOM 0 HD23 LEU A 80 33.169 22.378 -27.100 1.00 0.00 H new ATOM 1159 N TRP A 81 28.604 23.170 -29.195 1.00 0.00 N ATOM 1160 CA TRP A 81 27.230 22.785 -28.907 1.00 0.00 C ATOM 1161 C TRP A 81 27.100 21.284 -28.685 1.00 0.00 C ATOM 1162 O TRP A 81 28.029 20.521 -28.943 1.00 0.00 O ATOM 1163 CB TRP A 81 26.324 23.205 -30.064 1.00 0.00 C ATOM 1164 CG TRP A 81 26.680 22.530 -31.352 1.00 0.00 C ATOM 1165 CD1 TRP A 81 27.521 23.003 -32.320 1.00 0.00 C ATOM 1166 CD2 TRP A 81 26.214 21.255 -31.814 1.00 0.00 C ATOM 1167 NE1 TRP A 81 27.602 22.103 -33.352 1.00 0.00 N ATOM 1168 CE2 TRP A 81 26.810 21.023 -33.067 1.00 0.00 C ATOM 1169 CE3 TRP A 81 25.351 20.288 -31.289 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 26.570 19.866 -33.804 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 25.114 19.140 -32.022 1.00 0.00 C ATOM 1172 CH2 TRP A 81 25.721 18.937 -33.266 1.00 0.00 C ATOM 0 H TRP A 81 29.185 22.424 -29.577 1.00 0.00 H new ATOM 0 HA TRP A 81 26.929 23.291 -27.990 1.00 0.00 H new ATOM 0 HB2 TRP A 81 25.289 22.974 -29.812 1.00 0.00 H new ATOM 0 HB3 TRP A 81 26.387 24.285 -30.195 1.00 0.00 H new ATOM 0 HD1 TRP A 81 28.045 23.947 -32.278 1.00 0.00 H new ATOM 0 HE1 TRP A 81 28.162 22.220 -34.196 1.00 0.00 H new ATOM 0 HE3 TRP A 81 24.879 20.435 -30.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 27.037 19.708 -34.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 24.448 18.387 -31.627 1.00 0.00 H new ATOM 0 HH2 TRP A 81 25.515 18.029 -33.813 1.00 0.00 H new ATOM 1183 N CYS A 82 25.926 20.873 -28.218 1.00 0.00 N ATOM 1184 CA CYS A 82 25.639 19.467 -27.969 1.00 0.00 C ATOM 1185 C CYS A 82 24.143 19.203 -28.117 1.00 0.00 C ATOM 1186 O CYS A 82 23.384 20.097 -28.489 1.00 0.00 O ATOM 1187 CB CYS A 82 26.116 19.058 -26.573 1.00 0.00 C ATOM 1188 SG CYS A 82 25.117 19.739 -25.209 1.00 0.00 S ATOM 0 H CYS A 82 25.152 21.501 -28.003 1.00 0.00 H new ATOM 0 HA CYS A 82 26.177 18.868 -28.704 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.110 17.970 -26.504 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.150 19.380 -26.446 1.00 0.00 H new ATOM 1193 N SER A 83 23.723 17.978 -27.826 1.00 0.00 N ATOM 1194 CA SER A 83 22.314 17.617 -27.935 1.00 0.00 C ATOM 1195 C SER A 83 21.703 17.414 -26.553 1.00 0.00 C ATOM 1196 O SER A 83 22.281 16.738 -25.705 1.00 0.00 O ATOM 1197 CB SER A 83 22.155 16.348 -28.774 1.00 0.00 C ATOM 1198 OG SER A 83 20.843 15.827 -28.667 1.00 0.00 O ATOM 0 H SER A 83 24.333 17.222 -27.515 1.00 0.00 H new ATOM 0 HA SER A 83 21.787 18.434 -28.429 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.378 16.568 -29.818 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.875 15.599 -28.445 1.00 0.00 H new ATOM 0 HG SER A 83 20.873 14.850 -28.732 1.00 0.00 H new ATOM 1204 N THR A 84 20.536 18.012 -26.324 1.00 0.00 N ATOM 1205 CA THR A 84 19.867 17.895 -25.035 1.00 0.00 C ATOM 1206 C THR A 84 19.003 16.638 -24.963 1.00 0.00 C ATOM 1207 O THR A 84 18.560 16.243 -23.885 1.00 0.00 O ATOM 1208 CB THR A 84 18.991 19.127 -24.740 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.725 19.000 -25.397 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.680 20.407 -25.199 1.00 0.00 C ATOM 0 H THR A 84 20.038 18.579 -27.011 1.00 0.00 H new ATOM 0 HA THR A 84 20.653 17.829 -24.283 1.00 0.00 H new ATOM 0 HB THR A 84 18.836 19.182 -23.662 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.152 19.756 -25.151 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.041 21.263 -24.980 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.629 20.518 -24.674 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.863 20.357 -26.272 1.00 0.00 H new ATOM 1218 N THR A 85 18.768 16.011 -26.111 1.00 0.00 N ATOM 1219 CA THR A 85 17.958 14.797 -26.162 1.00 0.00 C ATOM 1220 C THR A 85 18.484 13.824 -27.220 1.00 0.00 C ATOM 1221 O THR A 85 19.310 14.187 -28.055 1.00 0.00 O ATOM 1222 CB THR A 85 16.465 15.127 -26.418 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.637 14.297 -25.594 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.073 14.937 -27.880 1.00 0.00 C ATOM 0 H THR A 85 19.125 16.321 -27.015 1.00 0.00 H new ATOM 0 HA THR A 85 18.035 14.313 -25.188 1.00 0.00 H new ATOM 0 HB THR A 85 16.318 16.178 -26.168 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.695 14.510 -25.758 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.018 15.180 -28.009 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.676 15.594 -28.507 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.244 13.901 -28.171 1.00 0.00 H new ATOM 1232 N SER A 86 18.000 12.587 -27.171 1.00 0.00 N ATOM 1233 CA SER A 86 18.424 11.559 -28.115 1.00 0.00 C ATOM 1234 C SER A 86 18.270 12.030 -29.557 1.00 0.00 C ATOM 1235 O SER A 86 19.238 12.059 -30.317 1.00 0.00 O ATOM 1236 CB SER A 86 17.618 10.278 -27.899 1.00 0.00 C ATOM 1237 OG SER A 86 18.066 9.244 -28.758 1.00 0.00 O ATOM 0 H SER A 86 17.313 12.272 -26.486 1.00 0.00 H new ATOM 0 HA SER A 86 19.480 11.357 -27.934 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.709 9.958 -26.861 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.561 10.474 -28.081 1.00 0.00 H new ATOM 0 HG SER A 86 17.536 8.435 -28.600 1.00 0.00 H new ATOM 1243 N ASN A 87 17.047 12.388 -29.930 1.00 0.00 N ATOM 1244 CA ASN A 87 16.766 12.847 -31.285 1.00 0.00 C ATOM 1245 C ASN A 87 16.948 14.356 -31.403 1.00 0.00 C ATOM 1246 O ASN A 87 16.020 15.123 -31.149 1.00 0.00 O ATOM 1247 CB ASN A 87 15.341 12.464 -31.681 1.00 0.00 C ATOM 1248 CG ASN A 87 15.301 11.555 -32.895 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.209 11.621 -33.648 1.00 0.00 O flip ATOM 1250 ND2 ASN A 87 16.239 10.802 -33.151 1.00 0.00 N flip ATOM 0 H ASN A 87 16.235 12.369 -29.314 1.00 0.00 H new ATOM 0 HA ASN A 87 17.473 12.364 -31.960 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.855 11.966 -30.842 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.769 13.368 -31.889 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.059 10.784 -32.544 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.197 10.195 -33.970 1.00 0.00 H new ATOM 1257 N TYR A 88 18.148 14.777 -31.790 1.00 0.00 N ATOM 1258 CA TYR A 88 18.443 16.196 -31.941 1.00 0.00 C ATOM 1259 C TYR A 88 17.984 16.706 -33.303 1.00 0.00 C ATOM 1260 O TYR A 88 17.635 17.877 -33.453 1.00 0.00 O ATOM 1261 CB TYR A 88 19.944 16.450 -31.768 1.00 0.00 C ATOM 1262 CG TYR A 88 20.416 17.741 -32.398 1.00 0.00 C ATOM 1263 CD1 TYR A 88 19.836 18.956 -32.055 1.00 0.00 C ATOM 1264 CD2 TYR A 88 21.438 17.744 -33.338 1.00 0.00 C ATOM 1265 CE1 TYR A 88 20.263 20.138 -32.631 1.00 0.00 C ATOM 1266 CE2 TYR A 88 21.871 18.920 -33.918 1.00 0.00 C ATOM 1267 CZ TYR A 88 21.281 20.115 -33.562 1.00 0.00 C ATOM 1268 OH TYR A 88 21.708 21.288 -34.137 1.00 0.00 O ATOM 0 H TYR A 88 18.929 14.157 -32.004 1.00 0.00 H new ATOM 0 HA TYR A 88 17.898 16.738 -31.167 1.00 0.00 H new ATOM 0 HB2 TYR A 88 20.181 16.467 -30.704 1.00 0.00 H new ATOM 0 HB3 TYR A 88 20.497 15.619 -32.205 1.00 0.00 H new ATOM 0 HD1 TYR A 88 19.039 18.977 -31.327 1.00 0.00 H new ATOM 0 HD2 TYR A 88 21.902 16.811 -33.620 1.00 0.00 H new ATOM 0 HE1 TYR A 88 19.802 21.075 -32.354 1.00 0.00 H new ATOM 0 HE2 TYR A 88 22.668 18.904 -34.647 1.00 0.00 H new ATOM 0 HH TYR A 88 22.431 21.098 -34.770 1.00 0.00 H new ATOM 1278 N GLU A 89 17.992 15.822 -34.295 1.00 0.00 N ATOM 1279 CA GLU A 89 17.584 16.187 -35.645 1.00 0.00 C ATOM 1280 C GLU A 89 16.070 16.083 -35.815 1.00 0.00 C ATOM 1281 O GLU A 89 15.559 16.143 -36.934 1.00 0.00 O ATOM 1282 CB GLU A 89 18.287 15.294 -36.668 1.00 0.00 C ATOM 1283 CG GLU A 89 19.721 15.708 -36.950 1.00 0.00 C ATOM 1284 CD GLU A 89 20.311 14.992 -38.149 1.00 0.00 C ATOM 1285 OE1 GLU A 89 19.867 13.862 -38.443 1.00 0.00 O ATOM 1286 OE2 GLU A 89 21.215 15.562 -38.795 1.00 0.00 O ATOM 0 H GLU A 89 18.277 14.848 -34.189 1.00 0.00 H new ATOM 0 HA GLU A 89 17.873 17.224 -35.813 1.00 0.00 H new ATOM 0 HB2 GLU A 89 18.278 14.265 -36.307 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.723 15.309 -37.600 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.758 16.784 -37.120 1.00 0.00 H new ATOM 0 HG3 GLU A 89 20.333 15.503 -36.072 1.00 0.00 H new ATOM 1293 N GLN A 90 15.357 15.928 -34.704 1.00 0.00 N ATOM 1294 CA GLN A 90 13.902 15.816 -34.745 1.00 0.00 C ATOM 1295 C GLN A 90 13.244 16.880 -33.868 1.00 0.00 C ATOM 1296 O GLN A 90 12.268 17.512 -34.270 1.00 0.00 O ATOM 1297 CB GLN A 90 13.467 14.415 -34.299 1.00 0.00 C ATOM 1298 CG GLN A 90 12.093 14.371 -33.644 1.00 0.00 C ATOM 1299 CD GLN A 90 10.969 14.646 -34.626 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.690 13.837 -35.510 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.317 15.793 -34.472 1.00 0.00 N ATOM 0 H GLN A 90 15.760 15.877 -33.768 1.00 0.00 H new ATOM 0 HA GLN A 90 13.577 15.978 -35.773 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.466 13.753 -35.165 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.204 14.023 -33.599 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.942 13.392 -33.190 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.055 15.105 -32.839 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.583 16.434 -33.725 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.551 16.032 -35.101 1.00 0.00 H new ATOM 1310 N ASP A 91 13.779 17.063 -32.668 1.00 0.00 N ATOM 1311 CA ASP A 91 13.238 18.041 -31.731 1.00 0.00 C ATOM 1312 C ASP A 91 13.881 19.411 -31.923 1.00 0.00 C ATOM 1313 O ASP A 91 13.210 20.439 -31.837 1.00 0.00 O ATOM 1314 CB ASP A 91 13.435 17.555 -30.296 1.00 0.00 C ATOM 1315 CG ASP A 91 12.365 16.572 -29.865 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.349 15.442 -30.398 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.544 16.930 -28.996 1.00 0.00 O ATOM 0 H ASP A 91 14.587 16.547 -32.320 1.00 0.00 H new ATOM 0 HA ASP A 91 12.171 18.146 -31.929 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.414 17.084 -30.206 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.430 18.411 -29.622 1.00 0.00 H new ATOM 1322 N GLN A 92 15.181 19.419 -32.194 1.00 0.00 N ATOM 1323 CA GLN A 92 15.909 20.667 -32.411 1.00 0.00 C ATOM 1324 C GLN A 92 16.144 21.416 -31.099 1.00 0.00 C ATOM 1325 O GLN A 92 15.972 22.633 -31.030 1.00 0.00 O ATOM 1326 CB GLN A 92 15.143 21.561 -33.388 1.00 0.00 C ATOM 1327 CG GLN A 92 15.934 21.915 -34.636 1.00 0.00 C ATOM 1328 CD GLN A 92 15.860 20.837 -35.699 1.00 0.00 C ATOM 1329 OE1 GLN A 92 16.645 19.888 -35.693 1.00 0.00 O ATOM 1330 NE2 GLN A 92 14.913 20.977 -36.620 1.00 0.00 N ATOM 0 H GLN A 92 15.753 18.578 -32.269 1.00 0.00 H new ATOM 0 HA GLN A 92 16.881 20.414 -32.834 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.222 21.058 -33.682 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.855 22.480 -32.877 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.557 22.852 -35.047 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.977 22.082 -34.365 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.284 21.779 -36.587 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.815 20.282 -37.360 1.00 0.00 H new ATOM 1339 N LYS A 93 16.547 20.684 -30.068 1.00 0.00 N ATOM 1340 CA LYS A 93 16.819 21.280 -28.762 1.00 0.00 C ATOM 1341 C LYS A 93 18.294 21.123 -28.393 1.00 0.00 C ATOM 1342 O LYS A 93 18.660 20.306 -27.549 1.00 0.00 O ATOM 1343 CB LYS A 93 15.926 20.658 -27.681 1.00 0.00 C ATOM 1344 CG LYS A 93 16.120 19.160 -27.496 1.00 0.00 C ATOM 1345 CD LYS A 93 15.538 18.373 -28.660 1.00 0.00 C ATOM 1346 CE LYS A 93 16.570 17.472 -29.332 1.00 0.00 C ATOM 1347 NZ LYS A 93 17.737 17.188 -28.454 1.00 0.00 N ATOM 0 H LYS A 93 16.693 19.675 -30.109 1.00 0.00 H new ATOM 0 HA LYS A 93 16.591 22.344 -28.823 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.122 21.158 -26.732 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.883 20.849 -27.933 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.183 18.939 -27.402 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.645 18.843 -26.568 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.707 17.765 -28.303 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.132 19.067 -29.396 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.097 16.532 -29.617 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.917 17.945 -30.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.177 16.290 -28.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.432 17.957 -28.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.419 17.118 -27.466 1.00 0.00 H new ATOM 1361 N TYR A 94 19.141 21.911 -29.042 1.00 0.00 N ATOM 1362 CA TYR A 94 20.578 21.859 -28.795 1.00 0.00 C ATOM 1363 C TYR A 94 21.001 22.870 -27.732 1.00 0.00 C ATOM 1364 O TYR A 94 20.179 23.614 -27.198 1.00 0.00 O ATOM 1365 CB TYR A 94 21.343 22.138 -30.089 1.00 0.00 C ATOM 1366 CG TYR A 94 21.438 23.612 -30.417 1.00 0.00 C ATOM 1367 CD1 TYR A 94 20.368 24.285 -30.993 1.00 0.00 C ATOM 1368 CD2 TYR A 94 22.597 24.330 -30.148 1.00 0.00 C ATOM 1369 CE1 TYR A 94 20.450 25.631 -31.292 1.00 0.00 C ATOM 1370 CE2 TYR A 94 22.686 25.677 -30.443 1.00 0.00 C ATOM 1371 CZ TYR A 94 21.610 26.323 -31.015 1.00 0.00 C ATOM 1372 OH TYR A 94 21.694 27.664 -31.309 1.00 0.00 O ATOM 0 H TYR A 94 18.859 22.595 -29.744 1.00 0.00 H new ATOM 0 HA TYR A 94 20.814 20.859 -28.432 1.00 0.00 H new ATOM 0 HB2 TYR A 94 22.348 21.725 -30.006 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.853 21.620 -30.913 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.457 23.747 -31.211 1.00 0.00 H new ATOM 0 HD2 TYR A 94 23.442 23.827 -29.701 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.609 26.139 -31.741 1.00 0.00 H new ATOM 0 HE2 TYR A 94 23.593 26.221 -30.227 1.00 0.00 H new ATOM 0 HH TYR A 94 22.577 28.001 -31.051 1.00 0.00 H new ATOM 1382 N SER A 95 22.300 22.892 -27.442 1.00 0.00 N ATOM 1383 CA SER A 95 22.863 23.809 -26.456 1.00 0.00 C ATOM 1384 C SER A 95 24.288 24.199 -26.844 1.00 0.00 C ATOM 1385 O SER A 95 24.859 23.631 -27.773 1.00 0.00 O ATOM 1386 CB SER A 95 22.854 23.168 -25.067 1.00 0.00 C ATOM 1387 OG SER A 95 22.522 21.792 -25.141 1.00 0.00 O ATOM 0 H SER A 95 22.987 22.279 -27.881 1.00 0.00 H new ATOM 0 HA SER A 95 22.248 24.709 -26.431 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.834 23.284 -24.603 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.136 23.684 -24.430 1.00 0.00 H new ATOM 0 HG SER A 95 23.343 21.258 -25.158 1.00 0.00 H new ATOM 1393 N PHE A 96 24.858 25.170 -26.134 1.00 0.00 N ATOM 1394 CA PHE A 96 26.216 25.624 -26.419 1.00 0.00 C ATOM 1395 C PHE A 96 27.203 25.097 -25.384 1.00 0.00 C ATOM 1396 O PHE A 96 26.826 24.394 -24.449 1.00 0.00 O ATOM 1397 CB PHE A 96 26.281 27.153 -26.448 1.00 0.00 C ATOM 1398 CG PHE A 96 25.865 27.775 -27.756 1.00 0.00 C ATOM 1399 CD1 PHE A 96 25.969 27.076 -28.952 1.00 0.00 C ATOM 1400 CD2 PHE A 96 25.372 29.069 -27.783 1.00 0.00 C ATOM 1401 CE1 PHE A 96 25.589 27.660 -30.144 1.00 0.00 C ATOM 1402 CE2 PHE A 96 24.989 29.656 -28.973 1.00 0.00 C ATOM 1403 CZ PHE A 96 25.099 28.951 -30.155 1.00 0.00 C ATOM 0 H PHE A 96 24.403 25.655 -25.361 1.00 0.00 H new ATOM 0 HA PHE A 96 26.491 25.232 -27.398 1.00 0.00 H new ATOM 0 HB2 PHE A 96 25.644 27.546 -25.655 1.00 0.00 H new ATOM 0 HB3 PHE A 96 27.301 27.464 -26.221 1.00 0.00 H new ATOM 0 HD1 PHE A 96 26.351 26.066 -28.949 1.00 0.00 H new ATOM 0 HD2 PHE A 96 25.286 29.626 -26.862 1.00 0.00 H new ATOM 0 HE1 PHE A 96 25.675 27.107 -31.068 1.00 0.00 H new ATOM 0 HE2 PHE A 96 24.604 30.665 -28.979 1.00 0.00 H new ATOM 0 HZ PHE A 96 24.802 29.409 -31.087 1.00 0.00 H new ATOM 1413 N CYS A 97 28.472 25.450 -25.563 1.00 0.00 N ATOM 1414 CA CYS A 97 29.523 25.020 -24.648 1.00 0.00 C ATOM 1415 C CYS A 97 30.686 26.008 -24.656 1.00 0.00 C ATOM 1416 O CYS A 97 31.167 26.407 -25.715 1.00 0.00 O ATOM 1417 CB CYS A 97 30.020 23.627 -25.032 1.00 0.00 C ATOM 1418 SG CYS A 97 28.790 22.307 -24.782 1.00 0.00 S ATOM 0 H CYS A 97 28.797 26.033 -26.334 1.00 0.00 H new ATOM 0 HA CYS A 97 29.106 24.985 -23.642 1.00 0.00 H new ATOM 0 HB2 CYS A 97 30.321 23.636 -26.080 1.00 0.00 H new ATOM 0 HB3 CYS A 97 30.910 23.396 -24.447 1.00 0.00 H new ATOM 1423 N THR A 98 31.133 26.397 -23.466 1.00 0.00 N ATOM 1424 CA THR A 98 32.241 27.337 -23.336 1.00 0.00 C ATOM 1425 C THR A 98 33.575 26.652 -23.604 1.00 0.00 C ATOM 1426 O THR A 98 34.493 27.256 -24.157 1.00 0.00 O ATOM 1427 CB THR A 98 32.282 27.978 -21.935 1.00 0.00 C ATOM 1428 OG1 THR A 98 33.300 27.354 -21.142 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.939 27.853 -21.233 1.00 0.00 C ATOM 0 H THR A 98 30.745 26.076 -22.579 1.00 0.00 H new ATOM 0 HA THR A 98 32.076 28.118 -24.078 1.00 0.00 H new ATOM 0 HB THR A 98 32.509 29.037 -22.055 1.00 0.00 H new ATOM 0 HG1 THR A 98 34.138 27.854 -21.233 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.999 28.314 -20.247 1.00 0.00 H new ATOM 0 HG22 THR A 98 30.172 28.356 -21.822 1.00 0.00 H new ATOM 0 HG23 THR A 98 30.681 26.799 -21.125 1.00 0.00 H new ATOM 1437 N ASP A 99 33.673 25.387 -23.207 1.00 0.00 N ATOM 1438 CA ASP A 99 34.896 24.615 -23.403 1.00 0.00 C ATOM 1439 C ASP A 99 36.037 25.180 -22.563 1.00 0.00 C ATOM 1440 O ASP A 99 36.570 24.501 -21.684 1.00 0.00 O ATOM 1441 CB ASP A 99 35.289 24.610 -24.881 1.00 0.00 C ATOM 1442 CG ASP A 99 36.404 23.624 -25.176 1.00 0.00 C ATOM 1443 OD1 ASP A 99 36.109 22.418 -25.310 1.00 0.00 O ATOM 1444 OD2 ASP A 99 37.570 24.059 -25.274 1.00 0.00 O ATOM 0 H ASP A 99 32.920 24.874 -22.748 1.00 0.00 H new ATOM 0 HA ASP A 99 34.705 23.591 -23.081 1.00 0.00 H new ATOM 0 HB2 ASP A 99 34.417 24.361 -25.486 1.00 0.00 H new ATOM 0 HB3 ASP A 99 35.605 25.611 -25.174 1.00 0.00 H new ATOM 1449 N HIS A 100 36.409 26.425 -22.840 1.00 0.00 N ATOM 1450 CA HIS A 100 37.489 27.080 -22.111 1.00 0.00 C ATOM 1451 C HIS A 100 36.965 27.748 -20.843 1.00 0.00 C ATOM 1452 O HIS A 100 35.806 27.571 -20.471 1.00 0.00 O ATOM 1453 CB HIS A 100 38.176 28.118 -23.001 1.00 0.00 C ATOM 1454 CG HIS A 100 39.402 27.601 -23.684 1.00 0.00 C ATOM 1455 ND1 HIS A 100 40.640 27.556 -23.080 1.00 0.00 N ATOM 1456 CD2 HIS A 100 39.578 27.104 -24.933 1.00 0.00 C ATOM 1457 CE1 HIS A 100 41.524 27.057 -23.925 1.00 0.00 C ATOM 1458 NE2 HIS A 100 40.905 26.775 -25.056 1.00 0.00 N ATOM 0 H HIS A 100 35.979 27.001 -23.564 1.00 0.00 H new ATOM 0 HA HIS A 100 38.214 26.318 -21.825 1.00 0.00 H new ATOM 0 HB2 HIS A 100 37.469 28.464 -23.755 1.00 0.00 H new ATOM 0 HB3 HIS A 100 38.445 28.983 -22.395 1.00 0.00 H new ATOM 0 HD2 HIS A 100 38.816 26.988 -25.690 1.00 0.00 H new ATOM 0 HE1 HIS A 100 42.574 26.906 -23.725 1.00 0.00 H new ATOM 0 HE2 HIS A 100 41.342 26.377 -25.887 1.00 0.00 H new ATOM 1467 N THR A 101 37.829 28.516 -20.184 1.00 0.00 N ATOM 1468 CA THR A 101 37.453 29.210 -18.956 1.00 0.00 C ATOM 1469 C THR A 101 37.752 30.703 -19.052 1.00 0.00 C ATOM 1470 O THR A 101 38.833 31.057 -19.567 1.00 0.00 O ATOM 1471 CB THR A 101 38.187 28.628 -17.734 1.00 0.00 C ATOM 1472 OG1 THR A 101 38.006 29.485 -16.598 1.00 0.00 O ATOM 1473 CG2 THR A 101 39.673 28.466 -18.019 1.00 0.00 C ATOM 1474 OXT THR A 101 36.902 31.506 -18.611 1.00 0.00 O ATOM 0 H THR A 101 38.793 28.673 -20.479 1.00 0.00 H new ATOM 0 HA THR A 101 36.380 29.066 -18.829 1.00 0.00 H new ATOM 0 HB THR A 101 37.765 27.646 -17.520 1.00 0.00 H new ATOM 0 HG1 THR A 101 38.475 29.107 -15.825 1.00 0.00 H new ATOM 0 HG21 THR A 101 40.169 28.053 -17.141 1.00 0.00 H new ATOM 0 HG22 THR A 101 39.810 27.791 -18.864 1.00 0.00 H new ATOM 0 HG23 THR A 101 40.106 29.438 -18.257 1.00 0.00 H new TER 1482 THR A 101