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 98 THR OG1 : rot 110:sc= -0.826! USER MOD Set 1.2: A 100 HIS :FLIP no HD1:sc= -0.174 F(o=-1.6,f=-1) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 MET CE :methyl 176:sc= -1.11 (180deg=-1.16) USER MOD Set 3.1: A 3 HIS :FLIP no HD1:sc= -0.375 F(o=-2.5!,f=0.16) USER MOD Set 3.2: A 13 SER OG : rot 46:sc= 0.533 USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.278 USER MOD Single : A 8 SER OG : rot -74:sc= 0.755 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.414 USER MOD Single : A 16 MET CE :methyl -111:sc= -3.02! (180deg=-6.89!) USER MOD Single : A 17 GLN : amide:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0823 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 24 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.54) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.6) USER MOD Single : A 30 THR OG1 : rot -10:sc= 0.533 USER MOD Single : A 34 ASN : amide:sc= -0.065 K(o=-0.065,f=-2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.15) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 120:sc= -0.18 USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.542 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.109 USER MOD Single : A 50 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.8!) USER MOD Single : A 51 SER OG : rot -133:sc= -0.548! USER MOD Single : A 52 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.82! C(o=-2.8!,f=-2.9!) 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 57:sc= 0.856 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -2.23! C(o=-2.2!,f=-5.3!) USER MOD Single : A 83 SER OG : rot -76:sc= 0.501 USER MOD Single : A 84 THR OG1 : rot 12:sc= -4.7! 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= 0 F(o=-1.2,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.3!) USER MOD Single : A 92 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 95:sc= -0.71! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0866 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 53.016 6.424 -41.923 1.00 0.00 N ATOM 2 CA TYR A 1 51.720 6.579 -41.211 1.00 0.00 C ATOM 3 C TYR A 1 51.932 7.003 -39.762 1.00 0.00 C ATOM 4 O TYR A 1 52.861 6.539 -39.100 1.00 0.00 O ATOM 5 CB TYR A 1 50.972 5.245 -41.261 1.00 0.00 C ATOM 6 CG TYR A 1 49.742 5.271 -42.139 1.00 0.00 C ATOM 7 CD1 TYR A 1 48.748 6.223 -41.946 1.00 0.00 C ATOM 8 CD2 TYR A 1 49.575 4.346 -43.161 1.00 0.00 C ATOM 9 CE1 TYR A 1 47.622 6.250 -42.747 1.00 0.00 C ATOM 10 CE2 TYR A 1 48.452 4.366 -43.967 1.00 0.00 C ATOM 11 CZ TYR A 1 47.479 5.320 -43.756 1.00 0.00 C ATOM 12 OH TYR A 1 46.360 5.344 -44.556 1.00 0.00 O ATOM 0 H1 TYR A 1 52.839 6.135 -42.906 1.00 0.00 H new ATOM 0 H2 TYR A 1 53.527 7.330 -41.915 1.00 0.00 H new ATOM 0 H3 TYR A 1 53.589 5.699 -41.447 1.00 0.00 H new ATOM 0 HA TYR A 1 51.137 7.359 -41.701 1.00 0.00 H new ATOM 0 HB2 TYR A 1 51.650 4.472 -41.623 1.00 0.00 H new ATOM 0 HB3 TYR A 1 50.680 4.964 -40.249 1.00 0.00 H new ATOM 0 HD1 TYR A 1 48.857 6.953 -41.158 1.00 0.00 H new ATOM 0 HD2 TYR A 1 50.336 3.598 -43.329 1.00 0.00 H new ATOM 0 HE1 TYR A 1 46.858 6.995 -42.584 1.00 0.00 H new ATOM 0 HE2 TYR A 1 48.337 3.639 -44.757 1.00 0.00 H new ATOM 0 HH TYR A 1 46.415 4.623 -45.218 1.00 0.00 H new ATOM 24 N GLY A 2 51.067 7.887 -39.275 1.00 0.00 N ATOM 25 CA GLY A 2 51.179 8.356 -37.906 1.00 0.00 C ATOM 26 C GLY A 2 50.497 7.427 -36.919 1.00 0.00 C ATOM 27 O GLY A 2 49.816 7.880 -36.000 1.00 0.00 O ATOM 0 H GLY A 2 50.291 8.287 -39.803 1.00 0.00 H new ATOM 0 HA2 GLY A 2 52.232 8.452 -37.643 1.00 0.00 H new ATOM 0 HA3 GLY A 2 50.739 9.350 -37.828 1.00 0.00 H new ATOM 31 N HIS A 3 50.681 6.125 -37.113 1.00 0.00 N ATOM 32 CA HIS A 3 50.078 5.129 -36.235 1.00 0.00 C ATOM 33 C HIS A 3 50.342 5.461 -34.771 1.00 0.00 C ATOM 34 O HIS A 3 51.396 5.126 -34.230 1.00 0.00 O ATOM 35 CB HIS A 3 50.622 3.736 -36.559 1.00 0.00 C ATOM 36 CG HIS A 3 49.754 2.960 -37.501 1.00 0.00 C ATOM 37 ND1 HIS A 3 48.519 2.430 -37.334 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 50.132 2.647 -38.790 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 48.177 1.815 -38.515 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 49.167 1.961 -39.376 1.00 0.00 N flip ATOM 0 H HIS A 3 51.243 5.735 -37.870 1.00 0.00 H new ATOM 0 HA HIS A 3 49.001 5.140 -36.403 1.00 0.00 H new ATOM 0 HB2 HIS A 3 51.617 3.835 -36.992 1.00 0.00 H new ATOM 0 HB3 HIS A 3 50.733 3.173 -35.632 1.00 0.00 H new ATOM 0 HD2 HIS A 3 51.071 2.920 -39.249 1.00 0.00 H new ATOM 0 HE1 HIS A 3 47.249 1.297 -38.707 1.00 0.00 H new ATOM 0 HE2 HIS A 3 49.184 1.605 -40.332 1.00 0.00 H new ATOM 49 N CYS A 4 49.378 6.117 -34.130 1.00 0.00 N ATOM 50 CA CYS A 4 49.516 6.483 -32.726 1.00 0.00 C ATOM 51 C CYS A 4 49.112 5.324 -31.821 1.00 0.00 C ATOM 52 O CYS A 4 48.684 4.272 -32.297 1.00 0.00 O ATOM 53 CB CYS A 4 48.669 7.717 -32.402 1.00 0.00 C ATOM 54 SG CYS A 4 49.343 9.281 -33.052 1.00 0.00 S ATOM 0 H CYS A 4 48.498 6.404 -34.559 1.00 0.00 H new ATOM 0 HA CYS A 4 50.565 6.719 -32.544 1.00 0.00 H new ATOM 0 HB2 CYS A 4 47.667 7.571 -32.805 1.00 0.00 H new ATOM 0 HB3 CYS A 4 48.568 7.800 -31.320 1.00 0.00 H new ATOM 59 N VAL A 5 49.250 5.523 -30.514 1.00 0.00 N ATOM 60 CA VAL A 5 48.899 4.492 -29.545 1.00 0.00 C ATOM 61 C VAL A 5 48.526 5.106 -28.200 1.00 0.00 C ATOM 62 O VAL A 5 49.131 6.088 -27.766 1.00 0.00 O ATOM 63 CB VAL A 5 50.053 3.489 -29.335 1.00 0.00 C ATOM 64 CG1 VAL A 5 49.730 2.156 -29.993 1.00 0.00 C ATOM 65 CG2 VAL A 5 51.361 4.052 -29.870 1.00 0.00 C ATOM 0 H VAL A 5 49.602 6.387 -30.102 1.00 0.00 H new ATOM 0 HA VAL A 5 48.039 3.960 -29.953 1.00 0.00 H new ATOM 0 HB VAL A 5 50.170 3.322 -28.264 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.556 1.462 -29.834 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.821 1.745 -29.555 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.582 2.305 -31.063 1.00 0.00 H new ATOM 0 HG21 VAL A 5 52.161 3.328 -29.711 1.00 0.00 H new ATOM 0 HG22 VAL A 5 51.261 4.254 -30.936 1.00 0.00 H new ATOM 0 HG23 VAL A 5 51.600 4.977 -29.346 1.00 0.00 H new ATOM 75 N THR A 6 47.529 4.523 -27.543 1.00 0.00 N ATOM 76 CA THR A 6 47.076 5.013 -26.247 1.00 0.00 C ATOM 77 C THR A 6 47.385 4.007 -25.142 1.00 0.00 C ATOM 78 O THR A 6 48.236 4.252 -24.286 1.00 0.00 O ATOM 79 CB THR A 6 45.563 5.307 -26.249 1.00 0.00 C ATOM 80 OG1 THR A 6 44.979 4.888 -25.010 1.00 0.00 O ATOM 81 CG2 THR A 6 44.870 4.595 -27.401 1.00 0.00 C ATOM 0 H THR A 6 47.019 3.710 -27.887 1.00 0.00 H new ATOM 0 HA THR A 6 47.616 5.940 -26.055 1.00 0.00 H new ATOM 0 HB THR A 6 45.429 6.382 -26.372 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.018 5.080 -25.020 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.804 4.820 -27.379 1.00 0.00 H new ATOM 0 HG22 THR A 6 45.293 4.935 -28.346 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.016 3.519 -27.305 1.00 0.00 H new ATOM 89 N ASP A 7 46.690 2.874 -25.167 1.00 0.00 N ATOM 90 CA ASP A 7 46.892 1.831 -24.168 1.00 0.00 C ATOM 91 C ASP A 7 48.184 1.062 -24.432 1.00 0.00 C ATOM 92 O ASP A 7 48.523 0.134 -23.698 1.00 0.00 O ATOM 93 CB ASP A 7 45.704 0.868 -24.160 1.00 0.00 C ATOM 94 CG ASP A 7 45.201 0.582 -22.759 1.00 0.00 C ATOM 95 OD1 ASP A 7 44.999 1.547 -21.991 1.00 0.00 O ATOM 96 OD2 ASP A 7 45.008 -0.607 -22.428 1.00 0.00 O ATOM 0 H ASP A 7 45.982 2.655 -25.868 1.00 0.00 H new ATOM 0 HA ASP A 7 46.971 2.310 -23.192 1.00 0.00 H new ATOM 0 HB2 ASP A 7 44.894 1.290 -24.755 1.00 0.00 H new ATOM 0 HB3 ASP A 7 45.995 -0.068 -24.637 1.00 0.00 H new ATOM 101 N SER A 8 48.900 1.452 -25.482 1.00 0.00 N ATOM 102 CA SER A 8 50.151 0.796 -25.837 1.00 0.00 C ATOM 103 C SER A 8 49.894 -0.449 -26.684 1.00 0.00 C ATOM 104 O SER A 8 50.820 -1.192 -27.006 1.00 0.00 O ATOM 105 CB SER A 8 50.928 0.417 -24.575 1.00 0.00 C ATOM 106 OG SER A 8 50.808 -0.967 -24.297 1.00 0.00 O ATOM 0 H SER A 8 48.635 2.218 -26.101 1.00 0.00 H new ATOM 0 HA SER A 8 50.745 1.496 -26.425 1.00 0.00 H new ATOM 0 HB2 SER A 8 51.979 0.676 -24.700 1.00 0.00 H new ATOM 0 HB3 SER A 8 50.556 0.994 -23.729 1.00 0.00 H new ATOM 0 HG SER A 8 49.915 -1.153 -23.939 1.00 0.00 H new ATOM 112 N GLY A 9 48.633 -0.669 -27.040 1.00 0.00 N ATOM 113 CA GLY A 9 48.279 -1.823 -27.846 1.00 0.00 C ATOM 114 C GLY A 9 47.406 -1.457 -29.030 1.00 0.00 C ATOM 115 O GLY A 9 47.545 -2.026 -30.112 1.00 0.00 O ATOM 0 H GLY A 9 47.849 -0.068 -26.785 1.00 0.00 H new ATOM 0 HA2 GLY A 9 49.189 -2.305 -28.204 1.00 0.00 H new ATOM 0 HA3 GLY A 9 47.757 -2.550 -27.224 1.00 0.00 H new ATOM 119 N VAL A 10 46.506 -0.502 -28.823 1.00 0.00 N ATOM 120 CA VAL A 10 45.607 -0.057 -29.880 1.00 0.00 C ATOM 121 C VAL A 10 46.272 1.001 -30.753 1.00 0.00 C ATOM 122 O VAL A 10 46.263 2.187 -30.424 1.00 0.00 O ATOM 123 CB VAL A 10 44.303 0.521 -29.301 1.00 0.00 C ATOM 124 CG1 VAL A 10 43.215 0.556 -30.363 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.853 -0.281 -28.090 1.00 0.00 C ATOM 0 H VAL A 10 46.380 -0.021 -27.932 1.00 0.00 H new ATOM 0 HA VAL A 10 45.371 -0.932 -30.486 1.00 0.00 H new ATOM 0 HB VAL A 10 44.494 1.544 -28.978 1.00 0.00 H new ATOM 0 HG11 VAL A 10 42.301 0.968 -29.934 1.00 0.00 H new ATOM 0 HG12 VAL A 10 43.539 1.181 -31.195 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.024 -0.455 -30.722 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.930 0.143 -27.695 1.00 0.00 H new ATOM 0 HG22 VAL A 10 43.680 -1.317 -28.383 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.626 -0.245 -27.322 1.00 0.00 H new ATOM 135 N VAL A 11 46.854 0.563 -31.863 1.00 0.00 N ATOM 136 CA VAL A 11 47.530 1.469 -32.782 1.00 0.00 C ATOM 137 C VAL A 11 46.539 2.384 -33.495 1.00 0.00 C ATOM 138 O VAL A 11 46.014 2.042 -34.554 1.00 0.00 O ATOM 139 CB VAL A 11 48.343 0.695 -33.836 1.00 0.00 C ATOM 140 CG1 VAL A 11 49.420 1.583 -34.440 1.00 0.00 C ATOM 141 CG2 VAL A 11 48.955 -0.556 -33.224 1.00 0.00 C ATOM 0 H VAL A 11 46.871 -0.416 -32.148 1.00 0.00 H new ATOM 0 HA VAL A 11 48.207 2.075 -32.180 1.00 0.00 H new ATOM 0 HB VAL A 11 47.668 0.389 -34.635 1.00 0.00 H new ATOM 0 HG11 VAL A 11 49.983 1.018 -35.182 1.00 0.00 H new ATOM 0 HG12 VAL A 11 48.955 2.446 -34.917 1.00 0.00 H new ATOM 0 HG13 VAL A 11 50.094 1.923 -33.654 1.00 0.00 H new ATOM 0 HG21 VAL A 11 49.526 -1.091 -33.983 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.616 -0.274 -32.404 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.162 -1.201 -32.845 1.00 0.00 H new ATOM 151 N TYR A 12 46.292 3.552 -32.910 1.00 0.00 N ATOM 152 CA TYR A 12 45.371 4.522 -33.492 1.00 0.00 C ATOM 153 C TYR A 12 46.096 5.408 -34.498 1.00 0.00 C ATOM 154 O TYR A 12 46.970 6.185 -34.128 1.00 0.00 O ATOM 155 CB TYR A 12 44.746 5.389 -32.400 1.00 0.00 C ATOM 156 CG TYR A 12 43.756 4.653 -31.528 1.00 0.00 C ATOM 157 CD1 TYR A 12 42.439 4.480 -31.934 1.00 0.00 C ATOM 158 CD2 TYR A 12 44.137 4.132 -30.299 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.529 3.810 -31.141 1.00 0.00 C ATOM 160 CE2 TYR A 12 43.232 3.458 -29.499 1.00 0.00 C ATOM 161 CZ TYR A 12 41.930 3.300 -29.925 1.00 0.00 C ATOM 162 OH TYR A 12 41.028 2.631 -29.131 1.00 0.00 O ATOM 0 H TYR A 12 46.718 3.850 -32.032 1.00 0.00 H new ATOM 0 HA TYR A 12 44.581 3.974 -34.005 1.00 0.00 H new ATOM 0 HB2 TYR A 12 45.540 5.793 -31.771 1.00 0.00 H new ATOM 0 HB3 TYR A 12 44.245 6.238 -32.865 1.00 0.00 H new ATOM 0 HD1 TYR A 12 42.121 4.877 -32.887 1.00 0.00 H new ATOM 0 HD2 TYR A 12 45.156 4.255 -29.962 1.00 0.00 H new ATOM 0 HE1 TYR A 12 40.508 3.686 -31.472 1.00 0.00 H new ATOM 0 HE2 TYR A 12 43.543 3.058 -28.546 1.00 0.00 H new ATOM 0 HH TYR A 12 41.472 2.335 -28.309 1.00 0.00 H new ATOM 172 N SER A 13 45.737 5.287 -35.768 1.00 0.00 N ATOM 173 CA SER A 13 46.373 6.084 -36.811 1.00 0.00 C ATOM 174 C SER A 13 45.895 7.530 -36.775 1.00 0.00 C ATOM 175 O SER A 13 44.793 7.824 -36.312 1.00 0.00 O ATOM 176 CB SER A 13 46.101 5.476 -38.184 1.00 0.00 C ATOM 177 OG SER A 13 47.221 4.744 -38.649 1.00 0.00 O ATOM 0 H SER A 13 45.014 4.650 -36.101 1.00 0.00 H new ATOM 0 HA SER A 13 47.447 6.079 -36.625 1.00 0.00 H new ATOM 0 HB2 SER A 13 45.232 4.821 -38.129 1.00 0.00 H new ATOM 0 HB3 SER A 13 45.859 6.267 -38.894 1.00 0.00 H new ATOM 0 HG SER A 13 47.563 4.175 -37.928 1.00 0.00 H new ATOM 183 N VAL A 14 46.741 8.428 -37.269 1.00 0.00 N ATOM 184 CA VAL A 14 46.422 9.850 -37.299 1.00 0.00 C ATOM 185 C VAL A 14 45.127 10.112 -38.057 1.00 0.00 C ATOM 186 O VAL A 14 45.142 10.396 -39.254 1.00 0.00 O ATOM 187 CB VAL A 14 47.559 10.661 -37.951 1.00 0.00 C ATOM 188 CG1 VAL A 14 48.046 9.975 -39.218 1.00 0.00 C ATOM 189 CG2 VAL A 14 47.105 12.083 -38.248 1.00 0.00 C ATOM 0 H VAL A 14 47.656 8.195 -37.655 1.00 0.00 H new ATOM 0 HA VAL A 14 46.300 10.169 -36.264 1.00 0.00 H new ATOM 0 HB VAL A 14 48.390 10.711 -37.248 1.00 0.00 H new ATOM 0 HG11 VAL A 14 48.849 10.562 -39.664 1.00 0.00 H new ATOM 0 HG12 VAL A 14 48.417 8.980 -38.973 1.00 0.00 H new ATOM 0 HG13 VAL A 14 47.222 9.891 -39.926 1.00 0.00 H new ATOM 0 HG21 VAL A 14 47.923 12.638 -38.708 1.00 0.00 H new ATOM 0 HG22 VAL A 14 46.255 12.059 -38.930 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.812 12.573 -37.319 1.00 0.00 H new ATOM 199 N GLY A 15 44.007 10.021 -37.349 1.00 0.00 N ATOM 200 CA GLY A 15 42.720 10.260 -37.973 1.00 0.00 C ATOM 201 C GLY A 15 41.659 9.276 -37.529 1.00 0.00 C ATOM 202 O GLY A 15 40.496 9.394 -37.916 1.00 0.00 O ATOM 0 H GLY A 15 43.967 9.787 -36.357 1.00 0.00 H new ATOM 0 HA2 GLY A 15 42.391 11.272 -37.739 1.00 0.00 H new ATOM 0 HA3 GLY A 15 42.831 10.203 -39.056 1.00 0.00 H new ATOM 206 N MET A 16 42.053 8.303 -36.715 1.00 0.00 N ATOM 207 CA MET A 16 41.113 7.302 -36.226 1.00 0.00 C ATOM 208 C MET A 16 40.059 7.944 -35.330 1.00 0.00 C ATOM 209 O MET A 16 38.958 7.415 -35.178 1.00 0.00 O ATOM 210 CB MET A 16 41.851 6.202 -35.462 1.00 0.00 C ATOM 211 CG MET A 16 41.699 4.824 -36.089 1.00 0.00 C ATOM 212 SD MET A 16 41.386 3.534 -34.868 1.00 0.00 S ATOM 213 CE MET A 16 42.920 2.614 -34.948 1.00 0.00 C ATOM 0 H MET A 16 43.010 8.186 -36.382 1.00 0.00 H new ATOM 0 HA MET A 16 40.613 6.857 -37.087 1.00 0.00 H new ATOM 0 HB2 MET A 16 42.910 6.454 -35.410 1.00 0.00 H new ATOM 0 HB3 MET A 16 41.480 6.170 -34.438 1.00 0.00 H new ATOM 0 HG2 MET A 16 40.880 4.845 -36.808 1.00 0.00 H new ATOM 0 HG3 MET A 16 42.604 4.580 -36.645 1.00 0.00 H new ATOM 0 HE1 MET A 16 42.735 1.636 -35.393 1.00 0.00 H new ATOM 0 HE2 MET A 16 43.640 3.160 -35.558 1.00 0.00 H new ATOM 0 HE3 MET A 16 43.320 2.485 -33.942 1.00 0.00 H new ATOM 223 N GLN A 17 40.403 9.088 -34.743 1.00 0.00 N ATOM 224 CA GLN A 17 39.486 9.804 -33.862 1.00 0.00 C ATOM 225 C GLN A 17 38.626 8.826 -33.074 1.00 0.00 C ATOM 226 O GLN A 17 37.564 8.407 -33.533 1.00 0.00 O ATOM 227 CB GLN A 17 38.595 10.747 -34.672 1.00 0.00 C ATOM 228 CG GLN A 17 39.032 12.200 -34.606 1.00 0.00 C ATOM 229 CD GLN A 17 37.986 13.149 -35.157 1.00 0.00 C ATOM 230 OE1 GLN A 17 38.221 13.844 -36.145 1.00 0.00 O ATOM 231 NE2 GLN A 17 36.823 13.183 -34.516 1.00 0.00 N ATOM 0 H GLN A 17 41.310 9.538 -34.862 1.00 0.00 H new ATOM 0 HA GLN A 17 40.077 10.393 -33.161 1.00 0.00 H new ATOM 0 HB2 GLN A 17 38.590 10.424 -35.713 1.00 0.00 H new ATOM 0 HB3 GLN A 17 37.570 10.667 -34.309 1.00 0.00 H new ATOM 0 HG2 GLN A 17 39.247 12.464 -33.571 1.00 0.00 H new ATOM 0 HG3 GLN A 17 39.959 12.322 -35.166 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.672 12.589 -33.701 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.081 13.803 -34.839 1.00 0.00 H new ATOM 240 N TRP A 18 39.097 8.458 -31.889 1.00 0.00 N ATOM 241 CA TRP A 18 38.374 7.517 -31.045 1.00 0.00 C ATOM 242 C TRP A 18 37.986 8.148 -29.713 1.00 0.00 C ATOM 243 O TRP A 18 38.064 9.365 -29.539 1.00 0.00 O ATOM 244 CB TRP A 18 39.221 6.269 -30.806 1.00 0.00 C ATOM 245 CG TRP A 18 40.480 6.550 -30.048 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.716 6.288 -28.731 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.674 7.153 -30.561 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.985 6.684 -28.392 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.595 7.219 -29.498 1.00 0.00 C ATOM 250 CE3 TRP A 18 42.056 7.640 -31.815 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.873 7.753 -29.654 1.00 0.00 C ATOM 252 CZ3 TRP A 18 43.323 8.171 -31.967 1.00 0.00 C ATOM 253 CH2 TRP A 18 44.219 8.223 -30.892 1.00 0.00 C ATOM 0 H TRP A 18 39.974 8.796 -31.492 1.00 0.00 H new ATOM 0 HA TRP A 18 37.457 7.237 -31.564 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.630 5.536 -30.258 1.00 0.00 H new ATOM 0 HB3 TRP A 18 39.475 5.820 -31.766 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.007 5.835 -28.054 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.407 6.595 -27.467 1.00 0.00 H new ATOM 0 HE3 TRP A 18 41.373 7.602 -32.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.566 7.794 -28.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 43.627 8.552 -32.931 1.00 0.00 H new ATOM 0 HH2 TRP A 18 45.203 8.642 -31.043 1.00 0.00 H new ATOM 264 N LEU A 19 37.567 7.309 -28.775 1.00 0.00 N ATOM 265 CA LEU A 19 37.159 7.775 -27.459 1.00 0.00 C ATOM 266 C LEU A 19 37.507 6.749 -26.390 1.00 0.00 C ATOM 267 O LEU A 19 37.124 5.584 -26.486 1.00 0.00 O ATOM 268 CB LEU A 19 35.654 8.053 -27.446 1.00 0.00 C ATOM 269 CG LEU A 19 35.098 8.549 -26.112 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.932 10.060 -26.135 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.770 7.870 -25.805 1.00 0.00 C ATOM 0 H LEU A 19 37.501 6.299 -28.903 1.00 0.00 H new ATOM 0 HA LEU A 19 37.697 8.697 -27.239 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.431 8.794 -28.213 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.129 7.139 -27.723 1.00 0.00 H new ATOM 0 HG LEU A 19 35.806 8.293 -25.324 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.535 10.397 -25.177 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.900 10.530 -26.312 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.242 10.338 -26.932 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.387 8.234 -24.852 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.054 8.098 -26.594 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.917 6.791 -25.749 1.00 0.00 H new ATOM 283 N LYS A 20 38.239 7.189 -25.376 1.00 0.00 N ATOM 284 CA LYS A 20 38.644 6.303 -24.290 1.00 0.00 C ATOM 285 C LYS A 20 37.817 6.555 -23.033 1.00 0.00 C ATOM 286 O LYS A 20 36.845 7.310 -23.055 1.00 0.00 O ATOM 287 CB LYS A 20 40.129 6.486 -23.980 1.00 0.00 C ATOM 288 CG LYS A 20 40.470 7.858 -23.426 1.00 0.00 C ATOM 289 CD LYS A 20 41.937 7.949 -23.037 1.00 0.00 C ATOM 290 CE LYS A 20 42.102 8.263 -21.558 1.00 0.00 C ATOM 291 NZ LYS A 20 43.535 8.345 -21.161 1.00 0.00 N ATOM 0 H LYS A 20 38.565 8.151 -25.281 1.00 0.00 H new ATOM 0 HA LYS A 20 38.469 5.277 -24.615 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.438 5.726 -23.262 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.705 6.317 -24.890 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.241 8.620 -24.171 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.847 8.066 -22.556 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.435 7.007 -23.268 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.425 8.722 -23.631 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.608 9.208 -21.331 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.606 7.494 -20.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.602 8.561 -20.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.001 7.435 -21.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.004 9.096 -21.706 1.00 0.00 H new ATOM 305 N THR A 21 38.215 5.916 -21.938 1.00 0.00 N ATOM 306 CA THR A 21 37.520 6.063 -20.665 1.00 0.00 C ATOM 307 C THR A 21 38.466 5.802 -19.496 1.00 0.00 C ATOM 308 O THR A 21 39.305 4.904 -19.555 1.00 0.00 O ATOM 309 CB THR A 21 36.320 5.105 -20.563 1.00 0.00 C ATOM 310 OG1 THR A 21 36.101 4.456 -21.821 1.00 0.00 O ATOM 311 CG2 THR A 21 35.063 5.854 -20.146 1.00 0.00 C ATOM 0 H THR A 21 39.019 5.289 -21.907 1.00 0.00 H new ATOM 0 HA THR A 21 37.156 7.090 -20.618 1.00 0.00 H new ATOM 0 HB THR A 21 36.546 4.356 -19.804 1.00 0.00 H new ATOM 0 HG1 THR A 21 35.337 3.847 -21.746 1.00 0.00 H new ATOM 0 HG21 THR A 21 34.228 5.156 -20.081 1.00 0.00 H new ATOM 0 HG22 THR A 21 35.223 6.320 -19.174 1.00 0.00 H new ATOM 0 HG23 THR A 21 34.836 6.623 -20.884 1.00 0.00 H new ATOM 319 N GLN A 22 38.327 6.595 -18.438 1.00 0.00 N ATOM 320 CA GLN A 22 39.175 6.448 -17.261 1.00 0.00 C ATOM 321 C GLN A 22 38.445 5.707 -16.144 1.00 0.00 C ATOM 322 O GLN A 22 38.874 5.722 -14.991 1.00 0.00 O ATOM 323 CB GLN A 22 39.631 7.820 -16.762 1.00 0.00 C ATOM 324 CG GLN A 22 40.256 8.683 -17.847 1.00 0.00 C ATOM 325 CD GLN A 22 40.900 9.939 -17.293 1.00 0.00 C ATOM 326 OE1 GLN A 22 41.714 9.879 -16.371 1.00 0.00 O ATOM 327 NE2 GLN A 22 40.538 11.086 -17.856 1.00 0.00 N ATOM 0 H GLN A 22 37.637 7.344 -18.372 1.00 0.00 H new ATOM 0 HA GLN A 22 40.047 5.861 -17.548 1.00 0.00 H new ATOM 0 HB2 GLN A 22 38.776 8.346 -16.338 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.353 7.683 -15.957 1.00 0.00 H new ATOM 0 HG2 GLN A 22 41.006 8.101 -18.383 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.490 8.961 -18.571 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.860 11.088 -18.618 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.938 11.964 -17.527 1.00 0.00 H new ATOM 336 N GLY A 23 37.340 5.056 -16.495 1.00 0.00 N ATOM 337 CA GLY A 23 36.573 4.316 -15.510 1.00 0.00 C ATOM 338 C GLY A 23 35.259 4.988 -15.166 1.00 0.00 C ATOM 339 O GLY A 23 34.189 4.497 -15.528 1.00 0.00 O ATOM 0 H GLY A 23 36.963 5.028 -17.442 1.00 0.00 H new ATOM 0 HA2 GLY A 23 36.375 3.313 -15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 23 37.167 4.203 -14.603 1.00 0.00 H new ATOM 343 N ASN A 24 35.340 6.111 -14.464 1.00 0.00 N ATOM 344 CA ASN A 24 34.149 6.852 -14.065 1.00 0.00 C ATOM 345 C ASN A 24 33.996 8.132 -14.882 1.00 0.00 C ATOM 346 O ASN A 24 33.098 8.935 -14.628 1.00 0.00 O ATOM 347 CB ASN A 24 34.211 7.194 -12.574 1.00 0.00 C ATOM 348 CG ASN A 24 32.965 7.911 -12.094 1.00 0.00 C ATOM 349 OD1 ASN A 24 33.029 9.049 -11.629 1.00 0.00 O ATOM 350 ND2 ASN A 24 31.821 7.246 -12.202 1.00 0.00 N ATOM 0 H ASN A 24 36.219 6.530 -14.159 1.00 0.00 H new ATOM 0 HA ASN A 24 33.283 6.218 -14.254 1.00 0.00 H new ATOM 0 HB2 ASN A 24 34.344 6.278 -11.999 1.00 0.00 H new ATOM 0 HB3 ASN A 24 35.083 7.819 -12.383 1.00 0.00 H new ATOM 0 HD21 ASN A 24 30.950 7.677 -11.893 1.00 0.00 H new ATOM 0 HD22 ASN A 24 31.814 6.304 -12.594 1.00 0.00 H new ATOM 357 N LYS A 25 34.875 8.319 -15.862 1.00 0.00 N ATOM 358 CA LYS A 25 34.829 9.507 -16.708 1.00 0.00 C ATOM 359 C LYS A 25 34.882 9.135 -18.186 1.00 0.00 C ATOM 360 O LYS A 25 35.298 8.034 -18.548 1.00 0.00 O ATOM 361 CB LYS A 25 35.989 10.446 -16.370 1.00 0.00 C ATOM 362 CG LYS A 25 36.071 10.811 -14.898 1.00 0.00 C ATOM 363 CD LYS A 25 37.200 10.069 -14.204 1.00 0.00 C ATOM 364 CE LYS A 25 37.922 10.959 -13.205 1.00 0.00 C ATOM 365 NZ LYS A 25 37.770 10.465 -11.808 1.00 0.00 N ATOM 0 H LYS A 25 35.625 7.666 -16.089 1.00 0.00 H new ATOM 0 HA LYS A 25 33.885 10.016 -16.515 1.00 0.00 H new ATOM 0 HB2 LYS A 25 36.925 9.976 -16.671 1.00 0.00 H new ATOM 0 HB3 LYS A 25 35.888 11.359 -16.956 1.00 0.00 H new ATOM 0 HG2 LYS A 25 36.223 11.885 -14.796 1.00 0.00 H new ATOM 0 HG3 LYS A 25 35.125 10.576 -14.410 1.00 0.00 H new ATOM 0 HD2 LYS A 25 36.800 9.194 -13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 25 37.909 9.706 -14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 25 38.981 11.006 -13.460 1.00 0.00 H new ATOM 0 HE3 LYS A 25 37.532 11.974 -13.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 38.277 11.100 -11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 36.761 10.444 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 38.165 9.506 -11.734 1.00 0.00 H new ATOM 379 N GLN A 26 34.465 10.068 -19.035 1.00 0.00 N ATOM 380 CA GLN A 26 34.470 9.855 -20.478 1.00 0.00 C ATOM 381 C GLN A 26 35.487 10.772 -21.144 1.00 0.00 C ATOM 382 O GLN A 26 35.398 11.996 -21.037 1.00 0.00 O ATOM 383 CB GLN A 26 33.078 10.110 -21.060 1.00 0.00 C ATOM 384 CG GLN A 26 32.007 9.190 -20.501 1.00 0.00 C ATOM 385 CD GLN A 26 30.765 9.146 -21.370 1.00 0.00 C ATOM 386 OE1 GLN A 26 30.618 9.936 -22.302 1.00 0.00 O ATOM 387 NE2 GLN A 26 29.862 8.221 -21.066 1.00 0.00 N ATOM 0 H GLN A 26 34.118 10.983 -18.747 1.00 0.00 H new ATOM 0 HA GLN A 26 34.748 8.819 -20.672 1.00 0.00 H new ATOM 0 HB2 GLN A 26 32.795 11.144 -20.864 1.00 0.00 H new ATOM 0 HB3 GLN A 26 33.119 9.991 -22.143 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.413 8.183 -20.403 1.00 0.00 H new ATOM 0 HG3 GLN A 26 31.734 9.523 -19.500 1.00 0.00 H new ATOM 0 HE21 GLN A 26 30.025 7.586 -20.284 1.00 0.00 H new ATOM 0 HE22 GLN A 26 29.005 8.145 -21.614 1.00 0.00 H new ATOM 396 N MET A 27 36.462 10.179 -21.824 1.00 0.00 N ATOM 397 CA MET A 27 37.499 10.952 -22.494 1.00 0.00 C ATOM 398 C MET A 27 37.597 10.585 -23.973 1.00 0.00 C ATOM 399 O MET A 27 37.511 9.414 -24.340 1.00 0.00 O ATOM 400 CB MET A 27 38.846 10.723 -21.807 1.00 0.00 C ATOM 401 CG MET A 27 39.910 11.735 -22.195 1.00 0.00 C ATOM 402 SD MET A 27 41.251 10.996 -23.147 1.00 0.00 S ATOM 403 CE MET A 27 42.676 11.547 -22.212 1.00 0.00 C ATOM 0 H MET A 27 36.555 9.168 -21.925 1.00 0.00 H new ATOM 0 HA MET A 27 37.232 12.007 -22.426 1.00 0.00 H new ATOM 0 HB2 MET A 27 38.703 10.756 -20.727 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.203 9.722 -22.051 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.452 12.534 -22.778 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.318 12.192 -21.294 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.580 11.111 -22.636 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.742 12.634 -22.256 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.574 11.232 -21.174 1.00 0.00 H new ATOM 413 N LEU A 28 37.787 11.597 -24.815 1.00 0.00 N ATOM 414 CA LEU A 28 37.909 11.387 -26.254 1.00 0.00 C ATOM 415 C LEU A 28 39.351 11.600 -26.700 1.00 0.00 C ATOM 416 O LEU A 28 39.951 12.630 -26.396 1.00 0.00 O ATOM 417 CB LEU A 28 36.988 12.340 -27.017 1.00 0.00 C ATOM 418 CG LEU A 28 37.276 12.436 -28.514 1.00 0.00 C ATOM 419 CD1 LEU A 28 36.146 11.816 -29.318 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.490 13.886 -28.922 1.00 0.00 C ATOM 0 H LEU A 28 37.860 12.572 -24.525 1.00 0.00 H new ATOM 0 HA LEU A 28 37.615 10.361 -26.474 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.956 12.017 -26.878 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.072 13.335 -26.579 1.00 0.00 H new ATOM 0 HG LEU A 28 38.189 11.880 -28.725 1.00 0.00 H new ATOM 0 HD11 LEU A 28 36.371 11.895 -30.382 1.00 0.00 H new ATOM 0 HD12 LEU A 28 36.040 10.766 -29.046 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.216 12.342 -29.104 1.00 0.00 H new ATOM 0 HD21 LEU A 28 37.694 13.937 -29.992 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.594 14.464 -28.696 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.336 14.298 -28.371 1.00 0.00 H new ATOM 432 N CYS A 29 39.908 10.624 -27.414 1.00 0.00 N ATOM 433 CA CYS A 29 41.289 10.722 -27.878 1.00 0.00 C ATOM 434 C CYS A 29 41.369 10.862 -29.396 1.00 0.00 C ATOM 435 O CYS A 29 40.429 10.522 -30.115 1.00 0.00 O ATOM 436 CB CYS A 29 42.086 9.492 -27.437 1.00 0.00 C ATOM 437 SG CYS A 29 43.050 9.727 -25.906 1.00 0.00 S ATOM 0 H CYS A 29 39.429 9.764 -27.682 1.00 0.00 H new ATOM 0 HA CYS A 29 41.718 11.619 -27.431 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.397 8.660 -27.294 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.766 9.208 -28.240 1.00 0.00 H new ATOM 442 N THR A 30 42.509 11.361 -29.872 1.00 0.00 N ATOM 443 CA THR A 30 42.733 11.544 -31.303 1.00 0.00 C ATOM 444 C THR A 30 44.222 11.634 -31.616 1.00 0.00 C ATOM 445 O THR A 30 45.007 12.137 -30.812 1.00 0.00 O ATOM 446 CB THR A 30 42.043 12.813 -31.835 1.00 0.00 C ATOM 447 OG1 THR A 30 40.631 12.740 -31.602 1.00 0.00 O ATOM 448 CG2 THR A 30 42.312 12.987 -33.326 1.00 0.00 C ATOM 0 H THR A 30 43.293 11.646 -29.285 1.00 0.00 H new ATOM 0 HA THR A 30 42.302 10.673 -31.796 1.00 0.00 H new ATOM 0 HB THR A 30 42.451 13.673 -31.304 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.395 11.837 -31.303 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.816 13.890 -33.682 1.00 0.00 H new ATOM 0 HG22 THR A 30 43.385 13.073 -33.494 1.00 0.00 H new ATOM 0 HG23 THR A 30 41.927 12.123 -33.868 1.00 0.00 H new ATOM 456 N CYS A 31 44.602 11.152 -32.794 1.00 0.00 N ATOM 457 CA CYS A 31 45.996 11.185 -33.221 1.00 0.00 C ATOM 458 C CYS A 31 46.196 12.248 -34.297 1.00 0.00 C ATOM 459 O CYS A 31 45.801 12.065 -35.448 1.00 0.00 O ATOM 460 CB CYS A 31 46.423 9.810 -33.741 1.00 0.00 C ATOM 461 SG CYS A 31 48.060 9.788 -34.545 1.00 0.00 S ATOM 0 H CYS A 31 43.964 10.733 -33.471 1.00 0.00 H new ATOM 0 HA CYS A 31 46.618 11.441 -32.363 1.00 0.00 H new ATOM 0 HB2 CYS A 31 46.430 9.106 -32.909 1.00 0.00 H new ATOM 0 HB3 CYS A 31 45.677 9.456 -34.452 1.00 0.00 H new ATOM 466 N LEU A 32 46.801 13.368 -33.908 1.00 0.00 N ATOM 467 CA LEU A 32 47.039 14.473 -34.834 1.00 0.00 C ATOM 468 C LEU A 32 48.261 14.215 -35.708 1.00 0.00 C ATOM 469 O LEU A 32 48.140 14.011 -36.915 1.00 0.00 O ATOM 470 CB LEU A 32 47.216 15.782 -34.063 1.00 0.00 C ATOM 471 CG LEU A 32 47.814 15.635 -32.665 1.00 0.00 C ATOM 472 CD1 LEU A 32 48.718 16.812 -32.345 1.00 0.00 C ATOM 473 CD2 LEU A 32 46.713 15.507 -31.625 1.00 0.00 C ATOM 0 H LEU A 32 47.135 13.534 -32.959 1.00 0.00 H new ATOM 0 HA LEU A 32 46.169 14.553 -35.485 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.854 16.446 -34.646 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.245 16.269 -33.976 1.00 0.00 H new ATOM 0 HG LEU A 32 48.415 14.726 -32.642 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.135 16.690 -31.345 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.528 16.857 -33.073 1.00 0.00 H new ATOM 0 HD13 LEU A 32 48.141 17.736 -32.387 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.158 15.403 -30.635 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.085 16.397 -31.649 1.00 0.00 H new ATOM 0 HD23 LEU A 32 46.106 14.629 -31.844 1.00 0.00 H new ATOM 485 N GLY A 33 49.437 14.232 -35.096 1.00 0.00 N ATOM 486 CA GLY A 33 50.663 14.003 -35.839 1.00 0.00 C ATOM 487 C GLY A 33 51.860 13.801 -34.934 1.00 0.00 C ATOM 488 O GLY A 33 52.540 12.779 -35.010 1.00 0.00 O ATOM 0 H GLY A 33 49.565 14.400 -34.098 1.00 0.00 H new ATOM 0 HA2 GLY A 33 50.540 13.126 -36.475 1.00 0.00 H new ATOM 0 HA3 GLY A 33 50.849 14.851 -36.498 1.00 0.00 H new ATOM 492 N ASN A 34 52.109 14.776 -34.071 1.00 0.00 N ATOM 493 CA ASN A 34 53.226 14.701 -33.138 1.00 0.00 C ATOM 494 C ASN A 34 52.872 13.794 -31.967 1.00 0.00 C ATOM 495 O ASN A 34 53.745 13.332 -31.232 1.00 0.00 O ATOM 496 CB ASN A 34 53.600 16.102 -32.639 1.00 0.00 C ATOM 497 CG ASN A 34 52.813 16.520 -31.411 1.00 0.00 C ATOM 498 OD1 ASN A 34 51.637 16.867 -31.501 1.00 0.00 O ATOM 499 ND2 ASN A 34 53.464 16.490 -30.253 1.00 0.00 N ATOM 0 H ASN A 34 51.553 15.628 -33.997 1.00 0.00 H new ATOM 0 HA ASN A 34 54.087 14.279 -33.656 1.00 0.00 H new ATOM 0 HB2 ASN A 34 54.665 16.128 -32.408 1.00 0.00 H new ATOM 0 HB3 ASN A 34 53.429 16.824 -33.437 1.00 0.00 H new ATOM 0 HD21 ASN A 34 52.988 16.762 -29.393 1.00 0.00 H new ATOM 0 HD22 ASN A 34 54.440 16.195 -30.224 1.00 0.00 H new ATOM 506 N GLY A 35 51.577 13.542 -31.806 1.00 0.00 N ATOM 507 CA GLY A 35 51.109 12.691 -30.733 1.00 0.00 C ATOM 508 C GLY A 35 49.618 12.436 -30.822 1.00 0.00 C ATOM 509 O GLY A 35 49.047 12.439 -31.913 1.00 0.00 O ATOM 0 H GLY A 35 50.841 13.916 -32.405 1.00 0.00 H new ATOM 0 HA2 GLY A 35 51.642 11.741 -30.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 51.341 13.155 -29.774 1.00 0.00 H new ATOM 513 N VAL A 36 48.983 12.220 -29.677 1.00 0.00 N ATOM 514 CA VAL A 36 47.549 11.970 -29.640 1.00 0.00 C ATOM 515 C VAL A 36 46.855 12.936 -28.684 1.00 0.00 C ATOM 516 O VAL A 36 47.096 12.915 -27.477 1.00 0.00 O ATOM 517 CB VAL A 36 47.243 10.508 -29.235 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.851 10.377 -28.629 1.00 0.00 C ATOM 519 CG2 VAL A 36 47.390 9.591 -30.435 1.00 0.00 C ATOM 0 H VAL A 36 49.438 12.213 -28.764 1.00 0.00 H new ATOM 0 HA VAL A 36 47.162 12.133 -30.646 1.00 0.00 H new ATOM 0 HB VAL A 36 47.964 10.212 -28.473 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.669 9.337 -28.356 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.781 11.003 -27.740 1.00 0.00 H new ATOM 0 HG13 VAL A 36 45.106 10.696 -29.357 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.172 8.565 -30.138 1.00 0.00 H new ATOM 0 HG22 VAL A 36 46.694 9.898 -31.215 1.00 0.00 H new ATOM 0 HG23 VAL A 36 48.410 9.650 -30.815 1.00 0.00 H new ATOM 529 N SER A 37 45.990 13.780 -29.237 1.00 0.00 N ATOM 530 CA SER A 37 45.258 14.755 -28.440 1.00 0.00 C ATOM 531 C SER A 37 43.923 14.181 -27.981 1.00 0.00 C ATOM 532 O SER A 37 43.232 13.505 -28.743 1.00 0.00 O ATOM 533 CB SER A 37 45.025 16.033 -29.249 1.00 0.00 C ATOM 534 OG SER A 37 44.286 16.983 -28.501 1.00 0.00 O ATOM 0 H SER A 37 45.779 13.808 -30.235 1.00 0.00 H new ATOM 0 HA SER A 37 45.855 14.995 -27.560 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.984 16.462 -29.541 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.490 15.793 -30.168 1.00 0.00 H new ATOM 0 HG SER A 37 44.152 17.791 -29.039 1.00 0.00 H new ATOM 540 N CYS A 38 43.566 14.450 -26.731 1.00 0.00 N ATOM 541 CA CYS A 38 42.315 13.955 -26.175 1.00 0.00 C ATOM 542 C CYS A 38 41.665 15.001 -25.274 1.00 0.00 C ATOM 543 O CYS A 38 42.266 16.030 -24.967 1.00 0.00 O ATOM 544 CB CYS A 38 42.559 12.666 -25.388 1.00 0.00 C ATOM 545 SG CYS A 38 43.840 11.587 -26.101 1.00 0.00 S ATOM 0 H CYS A 38 44.125 15.007 -26.085 1.00 0.00 H new ATOM 0 HA CYS A 38 41.637 13.746 -27.002 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.844 12.925 -24.368 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.624 12.109 -25.326 1.00 0.00 H new ATOM 550 N GLN A 39 40.432 14.729 -24.857 1.00 0.00 N ATOM 551 CA GLN A 39 39.699 15.647 -23.994 1.00 0.00 C ATOM 552 C GLN A 39 38.946 14.889 -22.905 1.00 0.00 C ATOM 553 O GLN A 39 37.878 14.328 -23.151 1.00 0.00 O ATOM 554 CB GLN A 39 38.714 16.476 -24.820 1.00 0.00 C ATOM 555 CG GLN A 39 39.383 17.382 -25.840 1.00 0.00 C ATOM 556 CD GLN A 39 39.074 18.848 -25.607 1.00 0.00 C ATOM 557 OE1 GLN A 39 39.947 19.706 -25.731 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.824 19.141 -25.267 1.00 0.00 N ATOM 0 H GLN A 39 39.921 13.881 -25.103 1.00 0.00 H new ATOM 0 HA GLN A 39 40.420 16.312 -23.519 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.031 15.803 -25.338 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.111 17.085 -24.146 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.462 17.231 -25.802 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.056 17.100 -26.841 1.00 0.00 H new ATOM 0 HE21 GLN A 39 37.133 18.397 -25.176 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.556 20.110 -25.097 1.00 0.00 H new ATOM 567 N GLU A 40 39.507 14.878 -21.699 1.00 0.00 N ATOM 568 CA GLU A 40 38.883 14.191 -20.574 1.00 0.00 C ATOM 569 C GLU A 40 37.569 14.865 -20.189 1.00 0.00 C ATOM 570 O GLU A 40 37.521 16.078 -19.993 1.00 0.00 O ATOM 571 CB GLU A 40 39.831 14.162 -19.373 1.00 0.00 C ATOM 572 CG GLU A 40 40.333 15.534 -18.953 1.00 0.00 C ATOM 573 CD GLU A 40 41.558 15.459 -18.062 1.00 0.00 C ATOM 574 OE1 GLU A 40 42.079 14.342 -17.862 1.00 0.00 O ATOM 575 OE2 GLU A 40 41.997 16.517 -17.564 1.00 0.00 O ATOM 0 H GLU A 40 40.391 15.336 -21.477 1.00 0.00 H new ATOM 0 HA GLU A 40 38.669 13.166 -20.879 1.00 0.00 H new ATOM 0 HB2 GLU A 40 39.319 13.699 -18.529 1.00 0.00 H new ATOM 0 HB3 GLU A 40 40.686 13.530 -19.613 1.00 0.00 H new ATOM 0 HG2 GLU A 40 40.570 16.118 -19.842 1.00 0.00 H new ATOM 0 HG3 GLU A 40 39.538 16.063 -18.427 1.00 0.00 H new ATOM 582 N THR A 41 36.509 14.062 -20.091 1.00 0.00 N ATOM 583 CA THR A 41 35.179 14.556 -19.732 1.00 0.00 C ATOM 584 C THR A 41 34.465 15.197 -20.920 1.00 0.00 C ATOM 585 O THR A 41 33.269 14.983 -21.117 1.00 0.00 O ATOM 586 CB THR A 41 35.229 15.572 -18.575 1.00 0.00 C ATOM 587 OG1 THR A 41 35.781 14.956 -17.406 1.00 0.00 O ATOM 588 CG2 THR A 41 33.838 16.101 -18.264 1.00 0.00 C ATOM 0 H THR A 41 36.547 13.056 -20.257 1.00 0.00 H new ATOM 0 HA THR A 41 34.619 13.678 -19.410 1.00 0.00 H new ATOM 0 HB THR A 41 35.861 16.406 -18.879 1.00 0.00 H new ATOM 0 HG1 THR A 41 35.811 15.609 -16.676 1.00 0.00 H new ATOM 0 HG21 THR A 41 33.896 16.817 -17.444 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.430 16.593 -19.147 1.00 0.00 H new ATOM 0 HG23 THR A 41 33.189 15.273 -17.978 1.00 0.00 H new ATOM 596 N ALA A 42 35.194 15.988 -21.705 1.00 0.00 N ATOM 597 CA ALA A 42 34.607 16.657 -22.861 1.00 0.00 C ATOM 598 C ALA A 42 33.176 17.096 -22.571 1.00 0.00 C ATOM 599 O ALA A 42 32.233 16.319 -22.723 1.00 0.00 O ATOM 600 CB ALA A 42 34.639 15.746 -24.078 1.00 0.00 C ATOM 0 H ALA A 42 36.186 16.180 -21.562 1.00 0.00 H new ATOM 0 HA ALA A 42 35.202 17.546 -23.071 1.00 0.00 H new ATOM 0 HB1 ALA A 42 34.197 16.262 -24.930 1.00 0.00 H new ATOM 0 HB2 ALA A 42 35.671 15.483 -24.308 1.00 0.00 H new ATOM 0 HB3 ALA A 42 34.072 14.839 -23.869 1.00 0.00 H new ATOM 606 N VAL A 43 33.019 18.346 -22.148 1.00 0.00 N ATOM 607 CA VAL A 43 31.703 18.886 -21.833 1.00 0.00 C ATOM 608 C VAL A 43 31.664 20.393 -22.062 1.00 0.00 C ATOM 609 O VAL A 43 32.675 21.014 -22.391 1.00 0.00 O ATOM 610 CB VAL A 43 31.290 18.526 -20.375 1.00 0.00 C ATOM 611 CG1 VAL A 43 30.676 19.693 -19.603 1.00 0.00 C ATOM 612 CG2 VAL A 43 30.339 17.340 -20.383 1.00 0.00 C ATOM 0 H VAL A 43 33.787 19.004 -22.016 1.00 0.00 H new ATOM 0 HA VAL A 43 30.978 18.429 -22.507 1.00 0.00 H new ATOM 0 HB VAL A 43 32.209 18.267 -19.849 1.00 0.00 H new ATOM 0 HG11 VAL A 43 30.414 19.366 -18.597 1.00 0.00 H new ATOM 0 HG12 VAL A 43 31.396 20.509 -19.543 1.00 0.00 H new ATOM 0 HG13 VAL A 43 29.779 20.038 -20.118 1.00 0.00 H new ATOM 0 HG21 VAL A 43 30.055 17.095 -19.360 1.00 0.00 H new ATOM 0 HG22 VAL A 43 29.447 17.593 -20.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 30.832 16.481 -20.839 1.00 0.00 H new ATOM 622 N THR A 44 30.486 20.967 -21.882 1.00 0.00 N ATOM 623 CA THR A 44 30.288 22.400 -22.065 1.00 0.00 C ATOM 624 C THR A 44 29.104 22.901 -21.243 1.00 0.00 C ATOM 625 O THR A 44 28.581 22.185 -20.389 1.00 0.00 O ATOM 626 CB THR A 44 30.056 22.749 -23.546 1.00 0.00 C ATOM 627 OG1 THR A 44 30.468 21.657 -24.378 1.00 0.00 O ATOM 628 CG2 THR A 44 30.825 24.002 -23.935 1.00 0.00 C ATOM 0 H THR A 44 29.645 20.460 -21.607 1.00 0.00 H new ATOM 0 HA THR A 44 31.198 22.892 -21.722 1.00 0.00 H new ATOM 0 HB THR A 44 28.991 22.935 -23.688 1.00 0.00 H new ATOM 0 HG1 THR A 44 29.703 21.336 -24.900 1.00 0.00 H new ATOM 0 HG21 THR A 44 30.645 24.228 -24.986 1.00 0.00 H new ATOM 0 HG22 THR A 44 30.491 24.839 -23.322 1.00 0.00 H new ATOM 0 HG23 THR A 44 31.891 23.839 -23.777 1.00 0.00 H new ATOM 636 N GLN A 45 28.684 24.135 -21.506 1.00 0.00 N ATOM 637 CA GLN A 45 27.560 24.730 -20.788 1.00 0.00 C ATOM 638 C GLN A 45 26.288 24.683 -21.631 1.00 0.00 C ATOM 639 O GLN A 45 26.293 25.063 -22.802 1.00 0.00 O ATOM 640 CB GLN A 45 27.882 26.176 -20.401 1.00 0.00 C ATOM 641 CG GLN A 45 29.264 26.350 -19.792 1.00 0.00 C ATOM 642 CD GLN A 45 29.459 27.712 -19.152 1.00 0.00 C ATOM 643 OE1 GLN A 45 28.782 28.722 -19.688 1.00 0.00 O flip ATOM 644 NE2 GLN A 45 30.209 27.855 -18.187 1.00 0.00 N flip ATOM 0 H GLN A 45 29.104 24.742 -22.210 1.00 0.00 H new ATOM 0 HA GLN A 45 27.392 24.150 -19.881 1.00 0.00 H new ATOM 0 HB2 GLN A 45 27.802 26.807 -21.287 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.134 26.528 -19.691 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.426 25.575 -19.042 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.018 26.207 -20.566 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.710 27.052 -17.807 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.330 28.777 -17.767 1.00 0.00 H new ATOM 653 N THR A 46 25.200 24.211 -21.030 1.00 0.00 N ATOM 654 CA THR A 46 23.922 24.108 -21.725 1.00 0.00 C ATOM 655 C THR A 46 22.836 24.915 -21.019 1.00 0.00 C ATOM 656 O THR A 46 22.915 25.157 -19.814 1.00 0.00 O ATOM 657 CB THR A 46 23.458 22.641 -21.826 1.00 0.00 C ATOM 658 OG1 THR A 46 23.087 22.152 -20.532 1.00 0.00 O ATOM 659 CG2 THR A 46 24.554 21.763 -22.403 1.00 0.00 C ATOM 0 H THR A 46 25.178 23.893 -20.061 1.00 0.00 H new ATOM 0 HA THR A 46 24.078 24.511 -22.726 1.00 0.00 H new ATOM 0 HB THR A 46 22.595 22.605 -22.491 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.792 21.220 -20.607 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.201 20.733 -22.464 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.816 22.116 -23.400 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.433 21.808 -21.760 1.00 0.00 H new ATOM 667 N TYR A 47 21.814 25.316 -21.772 1.00 0.00 N ATOM 668 CA TYR A 47 20.707 26.080 -21.206 1.00 0.00 C ATOM 669 C TYR A 47 19.401 25.296 -21.316 1.00 0.00 C ATOM 670 O TYR A 47 18.533 25.398 -20.450 1.00 0.00 O ATOM 671 CB TYR A 47 20.564 27.442 -21.893 1.00 0.00 C ATOM 672 CG TYR A 47 21.112 27.488 -23.301 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.480 27.524 -23.536 1.00 0.00 C ATOM 674 CD2 TYR A 47 20.257 27.510 -24.396 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.982 27.579 -24.822 1.00 0.00 C ATOM 676 CE2 TYR A 47 20.751 27.562 -25.685 1.00 0.00 C ATOM 677 CZ TYR A 47 22.113 27.598 -25.892 1.00 0.00 C ATOM 678 OH TYR A 47 22.607 27.652 -27.175 1.00 0.00 O ATOM 0 H TYR A 47 21.730 25.125 -22.771 1.00 0.00 H new ATOM 0 HA TYR A 47 20.927 26.252 -20.152 1.00 0.00 H new ATOM 0 HB2 TYR A 47 19.509 27.715 -21.917 1.00 0.00 H new ATOM 0 HB3 TYR A 47 21.074 28.195 -21.292 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.163 27.509 -22.700 1.00 0.00 H new ATOM 0 HD2 TYR A 47 19.189 27.486 -24.237 1.00 0.00 H new ATOM 0 HE1 TYR A 47 24.049 27.607 -24.988 1.00 0.00 H new ATOM 0 HE2 TYR A 47 20.074 27.574 -26.526 1.00 0.00 H new ATOM 0 HH TYR A 47 21.862 27.658 -27.812 1.00 0.00 H new ATOM 688 N GLY A 48 19.275 24.502 -22.376 1.00 0.00 N ATOM 689 CA GLY A 48 18.078 23.702 -22.559 1.00 0.00 C ATOM 690 C GLY A 48 17.136 24.254 -23.612 1.00 0.00 C ATOM 691 O GLY A 48 16.198 24.983 -23.290 1.00 0.00 O ATOM 0 H GLY A 48 19.978 24.399 -23.108 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.367 22.688 -22.837 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.548 23.633 -21.609 1.00 0.00 H new ATOM 695 N GLY A 49 17.371 23.893 -24.870 1.00 0.00 N ATOM 696 CA GLY A 49 16.509 24.356 -25.937 1.00 0.00 C ATOM 697 C GLY A 49 15.051 24.073 -25.647 1.00 0.00 C ATOM 698 O GLY A 49 14.207 24.966 -25.722 1.00 0.00 O ATOM 0 H GLY A 49 18.139 23.291 -25.166 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.650 25.428 -26.078 1.00 0.00 H new ATOM 0 HA3 GLY A 49 16.794 23.871 -26.871 1.00 0.00 H new ATOM 702 N ASN A 50 14.762 22.825 -25.305 1.00 0.00 N ATOM 703 CA ASN A 50 13.402 22.408 -24.986 1.00 0.00 C ATOM 704 C ASN A 50 13.317 21.904 -23.549 1.00 0.00 C ATOM 705 O ASN A 50 12.242 21.881 -22.951 1.00 0.00 O ATOM 706 CB ASN A 50 12.939 21.318 -25.954 1.00 0.00 C ATOM 707 CG ASN A 50 11.727 21.739 -26.760 1.00 0.00 C ATOM 708 OD1 ASN A 50 11.481 22.930 -26.956 1.00 0.00 O ATOM 709 ND2 ASN A 50 10.963 20.763 -27.235 1.00 0.00 N ATOM 0 H ASN A 50 15.455 22.079 -25.241 1.00 0.00 H new ATOM 0 HA ASN A 50 12.746 23.272 -25.089 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.755 21.068 -26.633 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.703 20.414 -25.393 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.135 20.986 -27.787 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.204 19.790 -27.048 1.00 0.00 H new ATOM 716 N SER A 51 14.461 21.506 -22.999 1.00 0.00 N ATOM 717 CA SER A 51 14.519 21.007 -21.631 1.00 0.00 C ATOM 718 C SER A 51 14.861 22.136 -20.660 1.00 0.00 C ATOM 719 O SER A 51 14.000 22.947 -20.318 1.00 0.00 O ATOM 720 CB SER A 51 15.541 19.872 -21.521 1.00 0.00 C ATOM 721 OG SER A 51 15.961 19.691 -20.180 1.00 0.00 O ATOM 0 H SER A 51 15.360 21.520 -23.481 1.00 0.00 H new ATOM 0 HA SER A 51 13.538 20.615 -21.364 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.103 18.947 -21.896 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.404 20.094 -22.149 1.00 0.00 H new ATOM 0 HG SER A 51 16.938 19.620 -20.150 1.00 0.00 H new ATOM 727 N ASN A 52 16.114 22.191 -20.221 1.00 0.00 N ATOM 728 CA ASN A 52 16.549 23.231 -19.297 1.00 0.00 C ATOM 729 C ASN A 52 18.051 23.152 -19.039 1.00 0.00 C ATOM 730 O ASN A 52 18.537 23.614 -18.007 1.00 0.00 O ATOM 731 CB ASN A 52 15.788 23.120 -17.975 1.00 0.00 C ATOM 732 CG ASN A 52 15.864 24.393 -17.158 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.308 25.433 -17.646 1.00 0.00 O ATOM 734 ND2 ASN A 52 15.431 24.321 -15.905 1.00 0.00 N ATOM 0 H ASN A 52 16.843 21.530 -20.489 1.00 0.00 H new ATOM 0 HA ASN A 52 16.332 24.195 -19.757 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.744 22.884 -18.179 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.194 22.293 -17.393 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.459 25.147 -15.308 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.071 23.439 -15.540 1.00 0.00 H new ATOM 741 N GLY A 53 18.784 22.566 -19.981 1.00 0.00 N ATOM 742 CA GLY A 53 20.222 22.445 -19.828 1.00 0.00 C ATOM 743 C GLY A 53 20.615 21.247 -18.988 1.00 0.00 C ATOM 744 O GLY A 53 21.719 21.195 -18.447 1.00 0.00 O ATOM 0 H GLY A 53 18.409 22.174 -20.845 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.684 22.362 -20.812 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.613 23.352 -19.368 1.00 0.00 H new ATOM 748 N GLU A 54 19.708 20.283 -18.878 1.00 0.00 N ATOM 749 CA GLU A 54 19.964 19.079 -18.099 1.00 0.00 C ATOM 750 C GLU A 54 21.167 18.320 -18.643 1.00 0.00 C ATOM 751 O GLU A 54 21.611 18.559 -19.766 1.00 0.00 O ATOM 752 CB GLU A 54 18.733 18.178 -18.103 1.00 0.00 C ATOM 753 CG GLU A 54 17.767 18.485 -16.975 1.00 0.00 C ATOM 754 CD GLU A 54 18.132 17.780 -15.684 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.125 16.532 -15.666 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.423 18.476 -14.689 1.00 0.00 O ATOM 0 H GLU A 54 18.789 20.313 -19.319 1.00 0.00 H new ATOM 0 HA GLU A 54 20.185 19.380 -17.075 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.215 18.285 -19.056 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.051 17.138 -18.028 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.746 19.561 -16.803 1.00 0.00 H new ATOM 0 HG3 GLU A 54 16.761 18.190 -17.273 1.00 0.00 H new ATOM 763 N PRO A 55 21.709 17.387 -17.848 1.00 0.00 N ATOM 764 CA PRO A 55 22.866 16.580 -18.250 1.00 0.00 C ATOM 765 C PRO A 55 22.547 15.684 -19.440 1.00 0.00 C ATOM 766 O PRO A 55 21.820 14.699 -19.313 1.00 0.00 O ATOM 767 CB PRO A 55 23.170 15.737 -17.006 1.00 0.00 C ATOM 768 CG PRO A 55 21.899 15.723 -16.228 1.00 0.00 C ATOM 769 CD PRO A 55 21.232 17.041 -16.501 1.00 0.00 C ATOM 0 HA PRO A 55 23.706 17.197 -18.569 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.476 14.727 -17.279 1.00 0.00 H new ATOM 0 HB3 PRO A 55 23.984 16.171 -16.425 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.263 14.893 -16.535 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.095 15.598 -15.163 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.146 16.957 -16.468 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.516 17.795 -15.767 1.00 0.00 H new ATOM 777 N CYS A 56 23.091 16.039 -20.600 1.00 0.00 N ATOM 778 CA CYS A 56 22.862 15.272 -21.820 1.00 0.00 C ATOM 779 C CYS A 56 22.994 13.775 -21.562 1.00 0.00 C ATOM 780 O CYS A 56 23.337 13.352 -20.458 1.00 0.00 O ATOM 781 CB CYS A 56 23.842 15.705 -22.912 1.00 0.00 C ATOM 782 SG CYS A 56 24.093 17.507 -23.016 1.00 0.00 S ATOM 0 H CYS A 56 23.694 16.853 -20.721 1.00 0.00 H new ATOM 0 HA CYS A 56 21.844 15.471 -22.156 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.804 15.225 -22.733 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.480 15.343 -23.874 1.00 0.00 H new ATOM 787 N VAL A 57 22.714 12.977 -22.588 1.00 0.00 N ATOM 788 CA VAL A 57 22.795 11.525 -22.472 1.00 0.00 C ATOM 789 C VAL A 57 23.697 10.929 -23.545 1.00 0.00 C ATOM 790 O VAL A 57 23.304 9.997 -24.246 1.00 0.00 O ATOM 791 CB VAL A 57 21.403 10.878 -22.588 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.833 11.089 -23.982 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.474 9.395 -22.256 1.00 0.00 C ATOM 0 H VAL A 57 22.429 13.311 -23.509 1.00 0.00 H new ATOM 0 HA VAL A 57 23.216 11.315 -21.489 1.00 0.00 H new ATOM 0 HB VAL A 57 20.738 11.358 -21.869 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.849 10.625 -24.047 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.745 12.157 -24.181 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.496 10.636 -24.719 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.481 8.955 -22.343 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.153 8.899 -22.949 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.839 9.267 -21.237 1.00 0.00 H new ATOM 803 N LEU A 58 24.906 11.463 -23.671 1.00 0.00 N ATOM 804 CA LEU A 58 25.847 10.965 -24.666 1.00 0.00 C ATOM 805 C LEU A 58 26.770 9.908 -24.067 1.00 0.00 C ATOM 806 O LEU A 58 26.821 9.727 -22.851 1.00 0.00 O ATOM 807 CB LEU A 58 26.679 12.106 -25.251 1.00 0.00 C ATOM 808 CG LEU A 58 26.571 13.440 -24.514 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.672 14.377 -24.966 1.00 0.00 C ATOM 810 CD2 LEU A 58 25.213 14.081 -24.747 1.00 0.00 C ATOM 0 H LEU A 58 25.255 12.234 -23.102 1.00 0.00 H new ATOM 0 HA LEU A 58 25.265 10.508 -25.466 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.725 11.801 -25.264 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.379 12.258 -26.288 1.00 0.00 H new ATOM 0 HG LEU A 58 26.681 13.249 -23.447 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.585 15.324 -24.434 1.00 0.00 H new ATOM 0 HD12 LEU A 58 28.642 13.929 -24.752 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.582 14.553 -26.038 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.162 15.029 -24.212 1.00 0.00 H new ATOM 0 HD22 LEU A 58 25.072 14.258 -25.813 1.00 0.00 H new ATOM 0 HD23 LEU A 58 24.430 13.416 -24.383 1.00 0.00 H new ATOM 822 N PRO A 59 27.516 9.200 -24.927 1.00 0.00 N ATOM 823 CA PRO A 59 27.462 9.409 -26.374 1.00 0.00 C ATOM 824 C PRO A 59 26.132 8.969 -26.963 1.00 0.00 C ATOM 825 O PRO A 59 25.602 7.918 -26.603 1.00 0.00 O ATOM 826 CB PRO A 59 28.588 8.531 -26.926 1.00 0.00 C ATOM 827 CG PRO A 59 29.394 8.108 -25.739 1.00 0.00 C ATOM 828 CD PRO A 59 28.463 8.143 -24.562 1.00 0.00 C ATOM 0 HA PRO A 59 27.570 10.464 -26.627 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.186 7.666 -27.454 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.201 9.083 -27.638 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.801 7.107 -25.883 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.240 8.778 -25.585 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.963 7.186 -24.413 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.990 8.374 -23.636 1.00 0.00 H new ATOM 836 N PHE A 60 25.601 9.769 -27.875 1.00 0.00 N ATOM 837 CA PHE A 60 24.333 9.442 -28.514 1.00 0.00 C ATOM 838 C PHE A 60 24.542 9.104 -29.984 1.00 0.00 C ATOM 839 O PHE A 60 25.608 9.353 -30.544 1.00 0.00 O ATOM 840 CB PHE A 60 23.342 10.596 -28.382 1.00 0.00 C ATOM 841 CG PHE A 60 23.922 11.933 -28.735 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.548 12.708 -27.773 1.00 0.00 C ATOM 843 CD2 PHE A 60 23.839 12.415 -30.030 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.080 13.940 -28.096 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.370 13.646 -30.360 1.00 0.00 C ATOM 846 CZ PHE A 60 24.991 14.410 -29.391 1.00 0.00 C ATOM 0 H PHE A 60 26.023 10.643 -28.188 1.00 0.00 H new ATOM 0 HA PHE A 60 23.921 8.569 -28.007 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.484 10.401 -29.025 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.972 10.630 -27.357 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.621 12.344 -26.759 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.354 11.822 -30.791 1.00 0.00 H new ATOM 0 HE1 PHE A 60 25.565 14.535 -27.337 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.300 14.011 -31.374 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.406 15.374 -29.646 1.00 0.00 H new ATOM 856 N THR A 61 23.515 8.541 -30.601 1.00 0.00 N ATOM 857 CA THR A 61 23.581 8.167 -32.008 1.00 0.00 C ATOM 858 C THR A 61 22.532 8.915 -32.820 1.00 0.00 C ATOM 859 O THR A 61 21.331 8.761 -32.593 1.00 0.00 O ATOM 860 CB THR A 61 23.379 6.651 -32.199 1.00 0.00 C ATOM 861 OG1 THR A 61 23.589 5.967 -30.957 1.00 0.00 O ATOM 862 CG2 THR A 61 24.334 6.106 -33.251 1.00 0.00 C ATOM 0 H THR A 61 22.624 8.332 -30.150 1.00 0.00 H new ATOM 0 HA THR A 61 24.575 8.438 -32.362 1.00 0.00 H new ATOM 0 HB THR A 61 22.356 6.483 -32.537 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.457 5.005 -31.087 1.00 0.00 H new ATOM 0 HG21 THR A 61 24.173 5.034 -33.368 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.152 6.607 -34.202 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.362 6.286 -32.937 1.00 0.00 H new ATOM 870 N TYR A 62 22.991 9.726 -33.765 1.00 0.00 N ATOM 871 CA TYR A 62 22.090 10.500 -34.608 1.00 0.00 C ATOM 872 C TYR A 62 22.512 10.425 -36.071 1.00 0.00 C ATOM 873 O TYR A 62 23.697 10.525 -36.391 1.00 0.00 O ATOM 874 CB TYR A 62 22.055 11.959 -34.147 1.00 0.00 C ATOM 875 CG TYR A 62 21.343 12.877 -35.111 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.965 12.818 -35.267 1.00 0.00 C ATOM 877 CD2 TYR A 62 22.051 13.804 -35.867 1.00 0.00 C ATOM 878 CE1 TYR A 62 19.311 13.657 -36.149 1.00 0.00 C ATOM 879 CE2 TYR A 62 21.403 14.645 -36.751 1.00 0.00 C ATOM 880 CZ TYR A 62 20.034 14.567 -36.889 1.00 0.00 C ATOM 881 OH TYR A 62 19.387 15.403 -37.769 1.00 0.00 O ATOM 0 H TYR A 62 23.981 9.864 -33.966 1.00 0.00 H new ATOM 0 HA TYR A 62 21.091 10.073 -34.517 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.564 12.013 -33.175 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.077 12.313 -34.008 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.395 12.105 -34.690 1.00 0.00 H new ATOM 0 HD2 TYR A 62 23.124 13.868 -35.762 1.00 0.00 H new ATOM 0 HE1 TYR A 62 18.238 13.600 -36.258 1.00 0.00 H new ATOM 0 HE2 TYR A 62 21.967 15.360 -37.331 1.00 0.00 H new ATOM 0 HH TYR A 62 20.042 15.984 -38.210 1.00 0.00 H new ATOM 891 N ASN A 63 21.536 10.245 -36.953 1.00 0.00 N ATOM 892 CA ASN A 63 21.807 10.155 -38.383 1.00 0.00 C ATOM 893 C ASN A 63 22.630 8.912 -38.701 1.00 0.00 C ATOM 894 O ASN A 63 23.138 8.757 -39.813 1.00 0.00 O ATOM 895 CB ASN A 63 22.541 11.406 -38.863 1.00 0.00 C ATOM 896 CG ASN A 63 21.598 12.435 -39.455 1.00 0.00 C ATOM 897 OD1 ASN A 63 20.545 12.092 -39.992 1.00 0.00 O ATOM 898 ND2 ASN A 63 21.974 13.705 -39.360 1.00 0.00 N ATOM 0 H ASN A 63 20.551 10.159 -36.704 1.00 0.00 H new ATOM 0 HA ASN A 63 20.854 10.081 -38.906 1.00 0.00 H new ATOM 0 HB2 ASN A 63 23.082 11.850 -38.027 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.284 11.125 -39.610 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.381 14.442 -39.741 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.856 13.943 -38.906 1.00 0.00 H new ATOM 905 N GLY A 64 22.759 8.025 -37.718 1.00 0.00 N ATOM 906 CA GLY A 64 23.521 6.806 -37.914 1.00 0.00 C ATOM 907 C GLY A 64 24.919 6.896 -37.332 1.00 0.00 C ATOM 908 O GLY A 64 25.625 5.893 -37.240 1.00 0.00 O ATOM 0 H GLY A 64 22.349 8.130 -36.790 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.992 5.972 -37.453 1.00 0.00 H new ATOM 0 HA3 GLY A 64 23.588 6.590 -38.980 1.00 0.00 H new ATOM 912 N ARG A 65 25.319 8.101 -36.939 1.00 0.00 N ATOM 913 CA ARG A 65 26.641 8.315 -36.364 1.00 0.00 C ATOM 914 C ARG A 65 26.557 8.464 -34.848 1.00 0.00 C ATOM 915 O ARG A 65 25.534 8.150 -34.241 1.00 0.00 O ATOM 916 CB ARG A 65 27.301 9.553 -36.980 1.00 0.00 C ATOM 917 CG ARG A 65 26.599 10.857 -36.639 1.00 0.00 C ATOM 918 CD ARG A 65 26.081 11.556 -37.887 1.00 0.00 C ATOM 919 NE ARG A 65 27.074 12.456 -38.467 1.00 0.00 N ATOM 920 CZ ARG A 65 27.029 12.892 -39.722 1.00 0.00 C ATOM 921 NH1 ARG A 65 26.043 12.508 -40.523 1.00 0.00 N ATOM 922 NH2 ARG A 65 27.968 13.710 -40.179 1.00 0.00 N ATOM 0 H ARG A 65 24.747 8.943 -37.008 1.00 0.00 H new ATOM 0 HA ARG A 65 27.253 7.442 -36.591 1.00 0.00 H new ATOM 0 HB2 ARG A 65 28.335 9.609 -36.640 1.00 0.00 H new ATOM 0 HB3 ARG A 65 27.327 9.438 -38.064 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.769 10.658 -35.962 1.00 0.00 H new ATOM 0 HG3 ARG A 65 27.289 11.516 -36.112 1.00 0.00 H new ATOM 0 HD2 ARG A 65 25.794 10.809 -38.627 1.00 0.00 H new ATOM 0 HD3 ARG A 65 25.182 12.121 -37.639 1.00 0.00 H new ATOM 0 HE ARG A 65 27.845 12.767 -37.876 1.00 0.00 H new ATOM 0 HH11 ARG A 65 25.320 11.878 -40.176 1.00 0.00 H new ATOM 0 HH12 ARG A 65 26.009 12.843 -41.486 1.00 0.00 H new ATOM 0 HH21 ARG A 65 28.728 14.007 -39.567 1.00 0.00 H new ATOM 0 HH22 ARG A 65 27.930 14.042 -41.143 1.00 0.00 H new ATOM 936 N THR A 66 27.640 8.942 -34.244 1.00 0.00 N ATOM 937 CA THR A 66 27.689 9.128 -32.797 1.00 0.00 C ATOM 938 C THR A 66 28.240 10.506 -32.445 1.00 0.00 C ATOM 939 O THR A 66 28.793 11.198 -33.300 1.00 0.00 O ATOM 940 CB THR A 66 28.560 8.048 -32.126 1.00 0.00 C ATOM 941 OG1 THR A 66 28.142 6.744 -32.553 1.00 0.00 O ATOM 942 CG2 THR A 66 28.473 8.140 -30.609 1.00 0.00 C ATOM 0 H THR A 66 28.495 9.208 -34.733 1.00 0.00 H new ATOM 0 HA THR A 66 26.668 9.042 -32.425 1.00 0.00 H new ATOM 0 HB THR A 66 29.595 8.216 -32.424 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.702 6.064 -32.123 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.097 7.367 -30.161 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.821 9.120 -30.283 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.439 7.999 -30.295 1.00 0.00 H new ATOM 950 N PHE A 67 28.083 10.905 -31.186 1.00 0.00 N ATOM 951 CA PHE A 67 28.564 12.206 -30.738 1.00 0.00 C ATOM 952 C PHE A 67 28.900 12.190 -29.250 1.00 0.00 C ATOM 953 O PHE A 67 28.125 11.691 -28.431 1.00 0.00 O ATOM 954 CB PHE A 67 27.517 13.282 -31.028 1.00 0.00 C ATOM 955 CG PHE A 67 27.022 13.266 -32.447 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.020 12.391 -32.833 1.00 0.00 C ATOM 957 CD2 PHE A 67 27.562 14.121 -33.394 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.564 12.371 -34.138 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.110 14.105 -34.700 1.00 0.00 C ATOM 960 CZ PHE A 67 26.110 13.229 -35.072 1.00 0.00 C ATOM 0 H PHE A 67 27.629 10.349 -30.462 1.00 0.00 H new ATOM 0 HA PHE A 67 29.477 12.435 -31.288 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.671 13.146 -30.354 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.943 14.261 -30.811 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.590 11.717 -32.107 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.345 14.808 -33.108 1.00 0.00 H new ATOM 0 HE1 PHE A 67 24.781 11.685 -34.427 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.539 14.777 -35.429 1.00 0.00 H new ATOM 0 HZ PHE A 67 25.755 13.215 -36.092 1.00 0.00 H new ATOM 970 N TYR A 68 30.062 12.747 -28.911 1.00 0.00 N ATOM 971 CA TYR A 68 30.516 12.812 -27.527 1.00 0.00 C ATOM 972 C TYR A 68 30.402 14.233 -26.990 1.00 0.00 C ATOM 973 O TYR A 68 31.282 14.711 -26.273 1.00 0.00 O ATOM 974 CB TYR A 68 31.967 12.333 -27.422 1.00 0.00 C ATOM 975 CG TYR A 68 32.189 10.948 -27.983 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.376 9.889 -27.606 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.209 10.702 -28.890 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.573 8.621 -28.119 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.414 9.437 -29.407 1.00 0.00 C ATOM 980 CZ TYR A 68 32.594 8.400 -29.018 1.00 0.00 C ATOM 981 OH TYR A 68 32.794 7.139 -29.531 1.00 0.00 O ATOM 0 H TYR A 68 30.708 13.162 -29.583 1.00 0.00 H new ATOM 0 HA TYR A 68 29.880 12.160 -26.928 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.612 13.037 -27.948 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.270 12.345 -26.375 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.576 10.058 -26.900 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.854 11.512 -29.197 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.930 7.807 -27.817 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.213 9.262 -30.112 1.00 0.00 H new ATOM 0 HH TYR A 68 33.553 7.155 -30.151 1.00 0.00 H new ATOM 991 N SER A 69 29.314 14.908 -27.346 1.00 0.00 N ATOM 992 CA SER A 69 29.083 16.279 -26.905 1.00 0.00 C ATOM 993 C SER A 69 28.049 16.965 -27.792 1.00 0.00 C ATOM 994 O SER A 69 27.475 16.345 -28.687 1.00 0.00 O ATOM 995 CB SER A 69 30.392 17.069 -26.923 1.00 0.00 C ATOM 996 OG SER A 69 31.068 16.971 -25.681 1.00 0.00 O ATOM 0 H SER A 69 28.577 14.527 -27.940 1.00 0.00 H new ATOM 0 HA SER A 69 28.700 16.249 -25.885 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.035 16.695 -27.720 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.185 18.116 -27.145 1.00 0.00 H new ATOM 0 HG SER A 69 31.230 16.028 -25.470 1.00 0.00 H new ATOM 1002 N CYS A 70 27.816 18.248 -27.538 1.00 0.00 N ATOM 1003 CA CYS A 70 26.854 19.019 -28.309 1.00 0.00 C ATOM 1004 C CYS A 70 27.291 19.132 -29.766 1.00 0.00 C ATOM 1005 O CYS A 70 28.431 18.815 -30.107 1.00 0.00 O ATOM 1006 CB CYS A 70 26.689 20.408 -27.696 1.00 0.00 C ATOM 1007 SG CYS A 70 26.222 20.386 -25.934 1.00 0.00 S ATOM 0 H CYS A 70 28.283 18.776 -26.801 1.00 0.00 H new ATOM 0 HA CYS A 70 25.895 18.501 -28.282 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.624 20.957 -27.807 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.930 20.954 -28.256 1.00 0.00 H new ATOM 1012 N THR A 71 26.379 19.579 -30.622 1.00 0.00 N ATOM 1013 CA THR A 71 26.673 19.727 -32.041 1.00 0.00 C ATOM 1014 C THR A 71 25.569 20.494 -32.760 1.00 0.00 C ATOM 1015 O THR A 71 24.512 20.764 -32.188 1.00 0.00 O ATOM 1016 CB THR A 71 26.847 18.357 -32.719 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.327 18.530 -34.057 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.527 17.598 -32.741 1.00 0.00 C ATOM 0 H THR A 71 25.430 19.845 -30.357 1.00 0.00 H new ATOM 0 HA THR A 71 27.605 20.288 -32.112 1.00 0.00 H new ATOM 0 HB THR A 71 27.573 17.779 -32.147 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.437 17.653 -34.481 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.671 16.632 -33.225 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.179 17.444 -31.720 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.785 18.174 -33.295 1.00 0.00 H new ATOM 1026 N THR A 72 25.820 20.839 -34.018 1.00 0.00 N ATOM 1027 CA THR A 72 24.847 21.571 -34.820 1.00 0.00 C ATOM 1028 C THR A 72 24.556 20.838 -36.124 1.00 0.00 C ATOM 1029 O THR A 72 24.367 21.459 -37.170 1.00 0.00 O ATOM 1030 CB THR A 72 25.341 22.994 -35.140 1.00 0.00 C ATOM 1031 OG1 THR A 72 26.727 22.963 -35.504 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.146 23.916 -33.945 1.00 0.00 C ATOM 0 H THR A 72 26.690 20.623 -34.505 1.00 0.00 H new ATOM 0 HA THR A 72 23.932 21.639 -34.231 1.00 0.00 H new ATOM 0 HB THR A 72 24.755 23.378 -35.975 1.00 0.00 H new ATOM 0 HG1 THR A 72 27.032 23.872 -35.707 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.502 24.915 -34.195 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.087 23.961 -33.689 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.709 23.532 -33.094 1.00 0.00 H new ATOM 1040 N GLU A 73 24.529 19.511 -36.055 1.00 0.00 N ATOM 1041 CA GLU A 73 24.267 18.685 -37.229 1.00 0.00 C ATOM 1042 C GLU A 73 22.769 18.532 -37.474 1.00 0.00 C ATOM 1043 O GLU A 73 22.346 17.730 -38.307 1.00 0.00 O ATOM 1044 CB GLU A 73 24.904 17.308 -37.053 1.00 0.00 C ATOM 1045 CG GLU A 73 26.044 17.036 -38.021 1.00 0.00 C ATOM 1046 CD GLU A 73 25.595 17.059 -39.469 1.00 0.00 C ATOM 1047 OE1 GLU A 73 24.389 17.275 -39.713 1.00 0.00 O ATOM 1048 OE2 GLU A 73 26.448 16.859 -40.359 1.00 0.00 O ATOM 0 H GLU A 73 24.686 18.983 -35.196 1.00 0.00 H new ATOM 0 HA GLU A 73 24.706 19.182 -38.094 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.276 17.217 -36.032 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.138 16.543 -37.183 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.826 17.781 -37.875 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.483 16.064 -37.796 1.00 0.00 H new ATOM 1055 N GLY A 74 21.973 19.301 -36.743 1.00 0.00 N ATOM 1056 CA GLY A 74 20.531 19.229 -36.896 1.00 0.00 C ATOM 1057 C GLY A 74 19.905 20.574 -37.209 1.00 0.00 C ATOM 1058 O GLY A 74 18.702 20.662 -37.451 1.00 0.00 O ATOM 0 H GLY A 74 22.298 19.973 -36.048 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.290 18.527 -37.694 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.092 18.834 -35.980 1.00 0.00 H new ATOM 1062 N ARG A 75 20.718 21.626 -37.204 1.00 0.00 N ATOM 1063 CA ARG A 75 20.226 22.968 -37.489 1.00 0.00 C ATOM 1064 C ARG A 75 21.213 23.741 -38.358 1.00 0.00 C ATOM 1065 O ARG A 75 22.375 23.357 -38.487 1.00 0.00 O ATOM 1066 CB ARG A 75 19.968 23.729 -36.186 1.00 0.00 C ATOM 1067 CG ARG A 75 21.031 23.499 -35.126 1.00 0.00 C ATOM 1068 CD ARG A 75 20.407 23.211 -33.770 1.00 0.00 C ATOM 1069 NE ARG A 75 19.199 24.001 -33.548 1.00 0.00 N ATOM 1070 CZ ARG A 75 18.370 23.809 -32.528 1.00 0.00 C ATOM 1071 NH1 ARG A 75 18.618 22.857 -31.638 1.00 0.00 N ATOM 1072 NH2 ARG A 75 17.290 24.568 -32.395 1.00 0.00 N ATOM 0 H ARG A 75 21.717 21.575 -37.006 1.00 0.00 H new ATOM 0 HA ARG A 75 19.289 22.873 -38.037 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.909 24.795 -36.404 1.00 0.00 H new ATOM 0 HB3 ARG A 75 18.999 23.431 -35.787 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.667 22.664 -35.421 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.672 24.378 -35.054 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.165 22.150 -33.699 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.131 23.426 -32.984 1.00 0.00 H new ATOM 0 HE ARG A 75 18.979 24.742 -34.214 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.447 22.271 -31.736 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.980 22.712 -30.856 1.00 0.00 H new ATOM 0 HH21 ARG A 75 17.095 25.301 -33.077 1.00 0.00 H new ATOM 0 HH22 ARG A 75 16.655 24.419 -31.611 1.00 0.00 H new ATOM 1086 N GLN A 76 20.740 24.832 -38.952 1.00 0.00 N ATOM 1087 CA GLN A 76 21.579 25.661 -39.810 1.00 0.00 C ATOM 1088 C GLN A 76 21.806 27.037 -39.189 1.00 0.00 C ATOM 1089 O GLN A 76 22.317 27.946 -39.842 1.00 0.00 O ATOM 1090 CB GLN A 76 20.939 25.814 -41.190 1.00 0.00 C ATOM 1091 CG GLN A 76 20.185 24.579 -41.652 1.00 0.00 C ATOM 1092 CD GLN A 76 19.839 24.623 -43.126 1.00 0.00 C ATOM 1093 OE1 GLN A 76 18.667 24.680 -43.500 1.00 0.00 O ATOM 1094 NE2 GLN A 76 20.861 24.597 -43.974 1.00 0.00 N ATOM 0 H GLN A 76 19.780 25.163 -38.855 1.00 0.00 H new ATOM 0 HA GLN A 76 22.545 25.166 -39.916 1.00 0.00 H new ATOM 0 HB2 GLN A 76 20.254 26.662 -41.171 1.00 0.00 H new ATOM 0 HB3 GLN A 76 21.716 26.048 -41.918 1.00 0.00 H new ATOM 0 HG2 GLN A 76 20.788 23.694 -41.451 1.00 0.00 H new ATOM 0 HG3 GLN A 76 19.268 24.479 -41.071 1.00 0.00 H new ATOM 0 HE21 GLN A 76 21.816 24.550 -43.620 1.00 0.00 H new ATOM 0 HE22 GLN A 76 20.690 24.625 -44.979 1.00 0.00 H new ATOM 1103 N ASP A 77 21.422 27.181 -37.925 1.00 0.00 N ATOM 1104 CA ASP A 77 21.585 28.445 -37.217 1.00 0.00 C ATOM 1105 C ASP A 77 22.967 28.538 -36.584 1.00 0.00 C ATOM 1106 O ASP A 77 23.648 29.558 -36.699 1.00 0.00 O ATOM 1107 CB ASP A 77 20.506 28.594 -36.143 1.00 0.00 C ATOM 1108 CG ASP A 77 20.017 30.023 -36.008 1.00 0.00 C ATOM 1109 OD1 ASP A 77 20.048 30.757 -37.017 1.00 0.00 O ATOM 1110 OD2 ASP A 77 19.604 30.407 -34.894 1.00 0.00 O ATOM 0 H ASP A 77 20.996 26.438 -37.370 1.00 0.00 H new ATOM 0 HA ASP A 77 21.482 29.255 -37.939 1.00 0.00 H new ATOM 0 HB2 ASP A 77 19.664 27.946 -36.386 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.902 28.256 -35.185 1.00 0.00 H new ATOM 1115 N GLY A 78 23.375 27.466 -35.916 1.00 0.00 N ATOM 1116 CA GLY A 78 24.675 27.442 -35.274 1.00 0.00 C ATOM 1117 C GLY A 78 24.581 27.221 -33.777 1.00 0.00 C ATOM 1118 O GLY A 78 25.418 27.707 -33.017 1.00 0.00 O ATOM 0 H GLY A 78 22.828 26.612 -35.807 1.00 0.00 H new ATOM 0 HA2 GLY A 78 25.281 26.651 -35.717 1.00 0.00 H new ATOM 0 HA3 GLY A 78 25.189 28.384 -35.467 1.00 0.00 H new ATOM 1122 N HIS A 79 23.560 26.485 -33.352 1.00 0.00 N ATOM 1123 CA HIS A 79 23.361 26.200 -31.936 1.00 0.00 C ATOM 1124 C HIS A 79 23.762 24.767 -31.604 1.00 0.00 C ATOM 1125 O HIS A 79 23.176 23.813 -32.115 1.00 0.00 O ATOM 1126 CB HIS A 79 21.901 26.434 -31.545 1.00 0.00 C ATOM 1127 CG HIS A 79 21.360 27.749 -32.014 1.00 0.00 C ATOM 1128 ND1 HIS A 79 22.164 28.789 -32.429 1.00 0.00 N ATOM 1129 CD2 HIS A 79 20.085 28.190 -32.134 1.00 0.00 C ATOM 1130 CE1 HIS A 79 21.408 29.813 -32.783 1.00 0.00 C ATOM 1131 NE2 HIS A 79 20.144 29.475 -32.614 1.00 0.00 N ATOM 0 H HIS A 79 22.858 26.075 -33.968 1.00 0.00 H new ATOM 0 HA HIS A 79 23.997 26.877 -31.366 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.290 25.631 -31.957 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.810 26.379 -30.460 1.00 0.00 H new ATOM 0 HD2 HIS A 79 19.190 27.635 -31.897 1.00 0.00 H new ATOM 0 HE1 HIS A 79 21.764 30.765 -33.149 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.340 30.072 -32.809 1.00 0.00 H new ATOM 1140 N LEU A 80 24.762 24.625 -30.741 1.00 0.00 N ATOM 1141 CA LEU A 80 25.242 23.310 -30.336 1.00 0.00 C ATOM 1142 C LEU A 80 24.215 22.609 -29.455 1.00 0.00 C ATOM 1143 O LEU A 80 24.023 22.982 -28.299 1.00 0.00 O ATOM 1144 CB LEU A 80 26.566 23.441 -29.585 1.00 0.00 C ATOM 1145 CG LEU A 80 27.799 23.622 -30.470 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.703 24.919 -31.259 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.063 23.600 -29.628 1.00 0.00 C ATOM 0 H LEU A 80 25.256 25.406 -30.308 1.00 0.00 H new ATOM 0 HA LEU A 80 25.397 22.711 -31.234 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.498 24.291 -28.906 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.707 22.552 -28.970 1.00 0.00 H new ATOM 0 HG LEU A 80 27.842 22.794 -31.177 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.589 25.031 -31.884 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.815 24.896 -31.890 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.636 25.760 -30.569 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.932 23.730 -30.273 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.028 24.409 -28.898 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.137 22.645 -29.108 1.00 0.00 H new ATOM 1159 N TRP A 81 23.555 21.596 -30.005 1.00 0.00 N ATOM 1160 CA TRP A 81 22.545 20.850 -29.263 1.00 0.00 C ATOM 1161 C TRP A 81 23.029 19.444 -28.930 1.00 0.00 C ATOM 1162 O TRP A 81 23.735 18.815 -29.718 1.00 0.00 O ATOM 1163 CB TRP A 81 21.245 20.775 -30.064 1.00 0.00 C ATOM 1164 CG TRP A 81 21.360 19.950 -31.310 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.555 20.409 -32.580 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.285 18.522 -31.406 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.605 19.356 -33.459 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.442 18.187 -32.763 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.102 17.494 -30.476 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.421 16.869 -33.214 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.081 16.186 -30.923 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.240 15.884 -32.282 1.00 0.00 C ATOM 0 H TRP A 81 23.701 21.273 -30.961 1.00 0.00 H new ATOM 0 HA TRP A 81 22.361 21.379 -28.328 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.461 20.358 -29.432 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.934 21.784 -30.333 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.655 21.449 -32.854 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.741 19.431 -34.467 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.979 17.718 -29.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.543 16.634 -34.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.940 15.384 -30.213 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.219 14.852 -32.600 1.00 0.00 H new ATOM 1183 N CYS A 82 22.637 18.956 -27.758 1.00 0.00 N ATOM 1184 CA CYS A 82 23.022 17.622 -27.315 1.00 0.00 C ATOM 1185 C CYS A 82 21.788 16.757 -27.080 1.00 0.00 C ATOM 1186 O CYS A 82 20.659 17.198 -27.295 1.00 0.00 O ATOM 1187 CB CYS A 82 23.853 17.704 -26.034 1.00 0.00 C ATOM 1188 SG CYS A 82 22.880 18.078 -24.540 1.00 0.00 S ATOM 0 H CYS A 82 22.051 19.466 -27.097 1.00 0.00 H new ATOM 0 HA CYS A 82 23.626 17.164 -28.099 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.372 16.757 -25.889 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.618 18.471 -26.158 1.00 0.00 H new ATOM 1193 N SER A 83 22.010 15.525 -26.637 1.00 0.00 N ATOM 1194 CA SER A 83 20.913 14.601 -26.374 1.00 0.00 C ATOM 1195 C SER A 83 20.620 14.512 -24.878 1.00 0.00 C ATOM 1196 O SER A 83 21.534 14.513 -24.055 1.00 0.00 O ATOM 1197 CB SER A 83 21.245 13.214 -26.924 1.00 0.00 C ATOM 1198 OG SER A 83 22.306 12.616 -26.198 1.00 0.00 O ATOM 0 H SER A 83 22.938 15.143 -26.453 1.00 0.00 H new ATOM 0 HA SER A 83 20.024 14.981 -26.877 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.361 12.578 -26.872 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.520 13.293 -27.976 1.00 0.00 H new ATOM 0 HG SER A 83 23.156 13.024 -26.465 1.00 0.00 H new ATOM 1204 N THR A 84 19.339 14.433 -24.536 1.00 0.00 N ATOM 1205 CA THR A 84 18.922 14.339 -23.144 1.00 0.00 C ATOM 1206 C THR A 84 18.262 12.993 -22.868 1.00 0.00 C ATOM 1207 O THR A 84 18.129 12.577 -21.717 1.00 0.00 O ATOM 1208 CB THR A 84 17.941 15.468 -22.770 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.040 15.715 -23.853 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.691 16.749 -22.425 1.00 0.00 C ATOM 0 H THR A 84 18.570 14.432 -25.206 1.00 0.00 H new ATOM 0 HA THR A 84 19.820 14.438 -22.534 1.00 0.00 H new ATOM 0 HB THR A 84 17.376 15.150 -21.894 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.120 14.997 -24.515 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.977 17.530 -22.165 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.353 16.566 -21.579 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.280 17.068 -23.285 1.00 0.00 H new ATOM 1218 N THR A 85 17.856 12.314 -23.937 1.00 0.00 N ATOM 1219 CA THR A 85 17.214 11.010 -23.824 1.00 0.00 C ATOM 1220 C THR A 85 17.856 10.005 -24.776 1.00 0.00 C ATOM 1221 O THR A 85 18.081 10.305 -25.949 1.00 0.00 O ATOM 1222 CB THR A 85 15.707 11.103 -24.130 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.055 11.902 -23.136 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.072 9.721 -24.171 1.00 0.00 C ATOM 0 H THR A 85 17.961 12.648 -24.895 1.00 0.00 H new ATOM 0 HA THR A 85 17.348 10.672 -22.796 1.00 0.00 H new ATOM 0 HB THR A 85 15.588 11.568 -25.109 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.098 11.958 -23.338 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.008 9.816 -24.389 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.550 9.124 -24.948 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.203 9.232 -23.206 1.00 0.00 H new ATOM 1232 N SER A 86 18.152 8.814 -24.266 1.00 0.00 N ATOM 1233 CA SER A 86 18.770 7.768 -25.074 1.00 0.00 C ATOM 1234 C SER A 86 18.130 7.702 -26.457 1.00 0.00 C ATOM 1235 O SER A 86 18.802 7.422 -27.450 1.00 0.00 O ATOM 1236 CB SER A 86 18.642 6.412 -24.376 1.00 0.00 C ATOM 1237 OG SER A 86 19.888 5.991 -23.845 1.00 0.00 O ATOM 0 H SER A 86 17.974 8.549 -23.297 1.00 0.00 H new ATOM 0 HA SER A 86 19.826 8.010 -25.192 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.906 6.480 -23.575 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.275 5.669 -25.084 1.00 0.00 H new ATOM 0 HG SER A 86 19.779 5.123 -23.403 1.00 0.00 H new ATOM 1243 N ASN A 87 16.827 7.962 -26.514 1.00 0.00 N ATOM 1244 CA ASN A 87 16.096 7.931 -27.775 1.00 0.00 C ATOM 1245 C ASN A 87 15.600 9.322 -28.154 1.00 0.00 C ATOM 1246 O ASN A 87 14.409 9.618 -28.046 1.00 0.00 O ATOM 1247 CB ASN A 87 14.911 6.969 -27.680 1.00 0.00 C ATOM 1248 CG ASN A 87 15.002 5.841 -28.687 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.161 5.894 -29.715 1.00 0.00 O flip ATOM 1250 ND2 ASN A 87 15.819 4.931 -28.546 1.00 0.00 N flip ATOM 0 H ASN A 87 16.257 8.196 -25.702 1.00 0.00 H new ATOM 0 HA ASN A 87 16.780 7.583 -28.550 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.865 6.552 -26.674 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.985 7.521 -27.839 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.446 4.929 -27.742 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.869 4.179 -29.233 1.00 0.00 H new ATOM 1257 N TYR A 88 16.518 10.172 -28.600 1.00 0.00 N ATOM 1258 CA TYR A 88 16.170 11.530 -29.000 1.00 0.00 C ATOM 1259 C TYR A 88 15.482 11.526 -30.360 1.00 0.00 C ATOM 1260 O TYR A 88 14.859 12.510 -30.758 1.00 0.00 O ATOM 1261 CB TYR A 88 17.427 12.407 -29.037 1.00 0.00 C ATOM 1262 CG TYR A 88 17.351 13.549 -30.028 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.701 13.360 -31.359 1.00 0.00 C ATOM 1264 CD2 TYR A 88 16.931 14.812 -29.633 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.635 14.398 -32.269 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.860 15.855 -30.536 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.213 15.644 -31.853 1.00 0.00 C ATOM 1268 OH TYR A 88 17.146 16.680 -32.755 1.00 0.00 O ATOM 0 H TYR A 88 17.508 9.945 -28.694 1.00 0.00 H new ATOM 0 HA TYR A 88 15.477 11.943 -28.267 1.00 0.00 H new ATOM 0 HB2 TYR A 88 17.603 12.814 -28.041 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.286 11.783 -29.282 1.00 0.00 H new ATOM 0 HD1 TYR A 88 18.030 12.385 -31.688 1.00 0.00 H new ATOM 0 HD2 TYR A 88 16.655 14.982 -28.603 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.912 14.235 -33.300 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.530 16.831 -30.213 1.00 0.00 H new ATOM 0 HH TYR A 88 16.829 17.489 -32.301 1.00 0.00 H new ATOM 1278 N GLU A 89 15.603 10.411 -31.072 1.00 0.00 N ATOM 1279 CA GLU A 89 14.998 10.273 -32.391 1.00 0.00 C ATOM 1280 C GLU A 89 13.493 10.043 -32.283 1.00 0.00 C ATOM 1281 O GLU A 89 12.779 10.075 -33.285 1.00 0.00 O ATOM 1282 CB GLU A 89 15.648 9.119 -33.154 1.00 0.00 C ATOM 1283 CG GLU A 89 17.002 9.468 -33.748 1.00 0.00 C ATOM 1284 CD GLU A 89 16.967 9.570 -35.261 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.965 8.514 -35.927 1.00 0.00 O ATOM 1286 OE2 GLU A 89 16.942 10.706 -35.779 1.00 0.00 O ATOM 0 H GLU A 89 16.116 9.588 -30.757 1.00 0.00 H new ATOM 0 HA GLU A 89 15.165 11.202 -32.937 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.764 8.269 -32.481 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.980 8.802 -33.955 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.344 10.416 -33.332 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.729 8.710 -33.455 1.00 0.00 H new ATOM 1293 N GLN A 90 13.017 9.810 -31.064 1.00 0.00 N ATOM 1294 CA GLN A 90 11.595 9.573 -30.836 1.00 0.00 C ATOM 1295 C GLN A 90 11.030 10.554 -29.812 1.00 0.00 C ATOM 1296 O GLN A 90 9.875 10.969 -29.909 1.00 0.00 O ATOM 1297 CB GLN A 90 11.364 8.136 -30.366 1.00 0.00 C ATOM 1298 CG GLN A 90 11.544 7.958 -28.870 1.00 0.00 C ATOM 1299 CD GLN A 90 10.226 7.954 -28.119 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.177 7.646 -28.685 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.275 8.298 -26.837 1.00 0.00 N ATOM 0 H GLN A 90 13.592 9.780 -30.222 1.00 0.00 H new ATOM 0 HA GLN A 90 11.074 9.728 -31.781 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.356 7.828 -30.643 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.054 7.474 -30.889 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.069 7.022 -28.680 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.174 8.760 -28.486 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.167 8.546 -26.409 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.420 8.314 -26.280 1.00 0.00 H new ATOM 1310 N ASP A 91 11.848 10.917 -28.830 1.00 0.00 N ATOM 1311 CA ASP A 91 11.424 11.845 -27.787 1.00 0.00 C ATOM 1312 C ASP A 91 11.655 13.291 -28.213 1.00 0.00 C ATOM 1313 O ASP A 91 10.834 14.165 -27.939 1.00 0.00 O ATOM 1314 CB ASP A 91 12.177 11.558 -26.487 1.00 0.00 C ATOM 1315 CG ASP A 91 11.286 10.938 -25.427 1.00 0.00 C ATOM 1316 OD1 ASP A 91 10.256 11.554 -25.083 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.619 9.835 -24.944 1.00 0.00 O ATOM 0 H ASP A 91 12.807 10.584 -28.734 1.00 0.00 H new ATOM 0 HA ASP A 91 10.356 11.703 -27.622 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.011 10.888 -26.694 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.601 12.486 -26.104 1.00 0.00 H new ATOM 1322 N GLN A 92 12.779 13.535 -28.878 1.00 0.00 N ATOM 1323 CA GLN A 92 13.123 14.875 -29.338 1.00 0.00 C ATOM 1324 C GLN A 92 13.726 15.701 -28.205 1.00 0.00 C ATOM 1325 O GLN A 92 14.012 16.886 -28.374 1.00 0.00 O ATOM 1326 CB GLN A 92 11.889 15.584 -29.900 1.00 0.00 C ATOM 1327 CG GLN A 92 12.220 16.824 -30.712 1.00 0.00 C ATOM 1328 CD GLN A 92 12.446 16.516 -32.178 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.563 15.866 -32.482 1.00 0.00 O flip ATOM 1330 NE2 GLN A 92 11.626 16.859 -33.029 1.00 0.00 N flip ATOM 0 H GLN A 92 13.469 12.820 -29.111 1.00 0.00 H new ATOM 0 HA GLN A 92 13.865 14.777 -30.130 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.333 14.887 -30.527 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.233 15.864 -29.075 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.407 17.544 -30.617 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.113 17.295 -30.301 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.780 17.357 -32.751 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.792 16.645 -34.012 1.00 0.00 H new ATOM 1339 N LYS A 93 13.921 15.065 -27.053 1.00 0.00 N ATOM 1340 CA LYS A 93 14.496 15.742 -25.899 1.00 0.00 C ATOM 1341 C LYS A 93 15.965 16.056 -26.145 1.00 0.00 C ATOM 1342 O LYS A 93 16.780 15.152 -26.329 1.00 0.00 O ATOM 1343 CB LYS A 93 14.341 14.879 -24.644 1.00 0.00 C ATOM 1344 CG LYS A 93 12.916 14.827 -24.107 1.00 0.00 C ATOM 1345 CD LYS A 93 11.892 15.066 -25.204 1.00 0.00 C ATOM 1346 CE LYS A 93 10.475 14.831 -24.707 1.00 0.00 C ATOM 1347 NZ LYS A 93 9.727 16.107 -24.537 1.00 0.00 N ATOM 0 H LYS A 93 13.689 14.084 -26.896 1.00 0.00 H new ATOM 0 HA LYS A 93 13.961 16.679 -25.746 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.672 13.865 -24.868 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.999 15.265 -23.865 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.736 13.855 -23.647 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.794 15.577 -23.326 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.984 16.088 -25.572 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.098 14.404 -26.045 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.945 14.191 -25.412 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.507 14.300 -23.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.766 15.903 -24.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.219 16.708 -23.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.673 16.602 -25.450 1.00 0.00 H new ATOM 1361 N TYR A 94 16.296 17.342 -26.161 1.00 0.00 N ATOM 1362 CA TYR A 94 17.669 17.769 -26.402 1.00 0.00 C ATOM 1363 C TYR A 94 18.028 19.005 -25.584 1.00 0.00 C ATOM 1364 O TYR A 94 17.195 19.560 -24.868 1.00 0.00 O ATOM 1365 CB TYR A 94 17.864 18.067 -27.889 1.00 0.00 C ATOM 1366 CG TYR A 94 17.106 19.291 -28.359 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.558 20.569 -28.054 1.00 0.00 C ATOM 1368 CD2 TYR A 94 15.940 19.167 -29.105 1.00 0.00 C ATOM 1369 CE1 TYR A 94 16.867 21.690 -28.478 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.246 20.282 -29.533 1.00 0.00 C ATOM 1371 CZ TYR A 94 15.714 21.541 -29.218 1.00 0.00 C ATOM 1372 OH TYR A 94 15.024 22.653 -29.642 1.00 0.00 O ATOM 0 H TYR A 94 15.635 18.104 -26.011 1.00 0.00 H new ATOM 0 HA TYR A 94 18.328 16.958 -26.094 1.00 0.00 H new ATOM 0 HB2 TYR A 94 18.926 18.208 -28.088 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.542 17.203 -28.471 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.463 20.689 -27.477 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.571 18.183 -29.354 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.229 22.677 -28.230 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.341 20.169 -30.112 1.00 0.00 H new ATOM 0 HH TYR A 94 14.235 22.374 -30.152 1.00 0.00 H new ATOM 1382 N SER A 95 19.280 19.435 -25.716 1.00 0.00 N ATOM 1383 CA SER A 95 19.776 20.613 -25.016 1.00 0.00 C ATOM 1384 C SER A 95 20.610 21.468 -25.962 1.00 0.00 C ATOM 1385 O SER A 95 20.582 21.264 -27.176 1.00 0.00 O ATOM 1386 CB SER A 95 20.619 20.204 -23.803 1.00 0.00 C ATOM 1387 OG SER A 95 20.311 18.884 -23.389 1.00 0.00 O ATOM 0 H SER A 95 19.974 18.979 -26.308 1.00 0.00 H new ATOM 0 HA SER A 95 18.922 21.193 -24.666 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.678 20.272 -24.052 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.440 20.897 -22.981 1.00 0.00 H new ATOM 0 HG SER A 95 20.947 18.258 -23.793 1.00 0.00 H new ATOM 1393 N PHE A 96 21.354 22.418 -25.412 1.00 0.00 N ATOM 1394 CA PHE A 96 22.192 23.286 -26.230 1.00 0.00 C ATOM 1395 C PHE A 96 23.601 23.392 -25.660 1.00 0.00 C ATOM 1396 O PHE A 96 23.944 22.711 -24.695 1.00 0.00 O ATOM 1397 CB PHE A 96 21.572 24.676 -26.348 1.00 0.00 C ATOM 1398 CG PHE A 96 20.540 24.779 -27.434 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.891 24.590 -28.762 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.220 25.061 -27.128 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.942 24.682 -29.763 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.268 25.154 -28.124 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.629 24.965 -29.443 1.00 0.00 C ATOM 0 H PHE A 96 21.395 22.607 -24.411 1.00 0.00 H new ATOM 0 HA PHE A 96 22.257 22.841 -27.223 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.114 24.943 -25.396 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.362 25.403 -26.537 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.917 24.369 -29.017 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.931 25.210 -26.098 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.227 24.533 -30.794 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.241 25.375 -27.871 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.886 25.038 -30.223 1.00 0.00 H new ATOM 1413 N CYS A 97 24.414 24.250 -26.267 1.00 0.00 N ATOM 1414 CA CYS A 97 25.788 24.445 -25.821 1.00 0.00 C ATOM 1415 C CYS A 97 26.311 25.811 -26.249 1.00 0.00 C ATOM 1416 O CYS A 97 26.515 26.065 -27.435 1.00 0.00 O ATOM 1417 CB CYS A 97 26.691 23.345 -26.381 1.00 0.00 C ATOM 1418 SG CYS A 97 27.109 22.046 -25.176 1.00 0.00 S ATOM 0 H CYS A 97 24.145 24.821 -27.068 1.00 0.00 H new ATOM 0 HA CYS A 97 25.798 24.396 -24.732 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.199 22.886 -27.238 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.613 23.797 -26.747 1.00 0.00 H new ATOM 1423 N THR A 98 26.530 26.683 -25.273 1.00 0.00 N ATOM 1424 CA THR A 98 27.036 28.022 -25.547 1.00 0.00 C ATOM 1425 C THR A 98 28.386 27.959 -26.243 1.00 0.00 C ATOM 1426 O THR A 98 28.561 28.494 -27.337 1.00 0.00 O ATOM 1427 CB THR A 98 27.179 28.854 -24.257 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.502 28.711 -23.727 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.163 28.424 -23.211 1.00 0.00 C ATOM 0 H THR A 98 26.365 26.487 -24.286 1.00 0.00 H new ATOM 0 HA THR A 98 26.308 28.505 -26.198 1.00 0.00 H new ATOM 0 HB THR A 98 26.995 29.899 -24.508 1.00 0.00 H new ATOM 0 HG1 THR A 98 28.993 29.551 -23.843 1.00 0.00 H new ATOM 0 HG21 THR A 98 26.288 29.028 -22.312 1.00 0.00 H new ATOM 0 HG22 THR A 98 25.156 28.562 -23.604 1.00 0.00 H new ATOM 0 HG23 THR A 98 26.316 27.373 -22.966 1.00 0.00 H new ATOM 1437 N ASP A 99 29.340 27.298 -25.599 1.00 0.00 N ATOM 1438 CA ASP A 99 30.683 27.158 -26.150 1.00 0.00 C ATOM 1439 C ASP A 99 31.419 28.496 -26.149 1.00 0.00 C ATOM 1440 O ASP A 99 32.500 28.619 -25.574 1.00 0.00 O ATOM 1441 CB ASP A 99 30.616 26.602 -27.575 1.00 0.00 C ATOM 1442 CG ASP A 99 30.874 25.110 -27.623 1.00 0.00 C ATOM 1443 OD1 ASP A 99 30.026 24.344 -27.118 1.00 0.00 O ATOM 1444 OD2 ASP A 99 31.923 24.705 -28.167 1.00 0.00 O ATOM 0 H ASP A 99 29.208 26.849 -24.692 1.00 0.00 H new ATOM 0 HA ASP A 99 31.235 26.462 -25.519 1.00 0.00 H new ATOM 0 HB2 ASP A 99 29.634 26.812 -27.999 1.00 0.00 H new ATOM 0 HB3 ASP A 99 31.349 27.115 -28.198 1.00 0.00 H new ATOM 1449 N HIS A 100 30.827 29.493 -26.797 1.00 0.00 N ATOM 1450 CA HIS A 100 31.428 30.820 -26.872 1.00 0.00 C ATOM 1451 C HIS A 100 32.935 30.722 -27.089 1.00 0.00 C ATOM 1452 O HIS A 100 33.404 30.667 -28.225 1.00 0.00 O ATOM 1453 CB HIS A 100 31.126 31.609 -25.597 1.00 0.00 C ATOM 1454 CG HIS A 100 29.734 32.151 -25.555 1.00 0.00 C ATOM 1455 ND1 HIS A 100 28.687 31.846 -24.752 1.00 0.00 N flip ATOM 1456 CD2 HIS A 100 29.279 33.126 -26.419 1.00 0.00 C flip ATOM 1457 CE1 HIS A 100 27.632 32.633 -25.141 1.00 0.00 C flip ATOM 1458 NE2 HIS A 100 28.015 33.396 -26.149 1.00 0.00 N flip ATOM 0 H HIS A 100 29.932 29.408 -27.278 1.00 0.00 H new ATOM 0 HA HIS A 100 30.995 31.345 -27.723 1.00 0.00 H new ATOM 0 HB2 HIS A 100 31.284 30.964 -24.733 1.00 0.00 H new ATOM 0 HB3 HIS A 100 31.833 32.434 -25.512 1.00 0.00 H new ATOM 0 HD2 HIS A 100 29.865 33.595 -27.195 1.00 0.00 H new ATOM 0 HE1 HIS A 100 26.648 32.629 -24.695 1.00 0.00 H new ATOM 0 HE2 HIS A 100 27.433 34.078 -26.636 1.00 0.00 H new ATOM 1467 N THR A 101 33.688 30.699 -25.993 1.00 0.00 N ATOM 1468 CA THR A 101 35.142 30.604 -26.070 1.00 0.00 C ATOM 1469 C THR A 101 35.580 29.189 -26.428 1.00 0.00 C ATOM 1470 O THR A 101 34.710 28.382 -26.818 1.00 0.00 O ATOM 1471 CB THR A 101 35.803 31.012 -24.740 1.00 0.00 C ATOM 1472 OG1 THR A 101 34.831 31.011 -23.688 1.00 0.00 O ATOM 1473 CG2 THR A 101 36.436 32.392 -24.849 1.00 0.00 C ATOM 1474 OXT THR A 101 36.790 28.899 -26.320 1.00 0.00 O ATOM 0 H THR A 101 33.317 30.745 -25.044 1.00 0.00 H new ATOM 0 HA THR A 101 35.463 31.291 -26.852 1.00 0.00 H new ATOM 0 HB THR A 101 36.585 30.287 -24.513 1.00 0.00 H new ATOM 0 HG1 THR A 101 35.260 31.270 -22.846 1.00 0.00 H new ATOM 0 HG21 THR A 101 36.896 32.657 -23.897 1.00 0.00 H new ATOM 0 HG22 THR A 101 37.197 32.383 -25.630 1.00 0.00 H new ATOM 0 HG23 THR A 101 35.669 33.125 -25.098 1.00 0.00 H new TER 1482 THR A 101