USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 HIS : no HD1:sc= -0.575 K(o=-0.83,f=-2.3) USER MOD Set 1.2: A 13 SER OG : rot -66:sc= -0.256 USER MOD Single : A 6 THR OG1 : rot -49:sc= 0.216! USER MOD Single : A 8 SER OG : rot 180:sc=-0.00327 USER MOD Single : A 12 TYR OH : rot -99:sc= 1.91 USER MOD Single : A 16 MET CE :methyl 133:sc= -0.462 (180deg=-3.24!) USER MOD Single : A 17 GLN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 27 MET CE :methyl -167:sc= -0.0408 (180deg=-0.272) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0487 USER MOD Single : A 34 ASN : amide:sc= -3.56! C(o=-3.6!,f=-7.9!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0522 USER MOD Single : A 39 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.42) USER MOD Single : A 45 GLN : amide:sc=-0.000736 X(o=-0.00074,f=-0.058) USER MOD Single : A 46 THR OG1 : rot 170:sc= 0.139 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0401 X(o=-0.04,f=-0.18) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.96! C(o=-2!,f=-2.8!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.866 K(o=-0.87,f=-0.2) 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 180:sc= -1.14! USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.431! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-0.9) USER MOD Single : A 83 SER OG : rot -138:sc= -0.928! USER MOD Single : A 84 THR OG1 : rot -159:sc= -4.1! 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 : amide:sc= -14.3! C(o=-14!,f=-32!) USER MOD Single : A 88 TYR OH : rot -53:sc= 0.245 USER MOD Single : A 90 GLN : amide:sc= -2.75! C(o=-2.7!,f=-5.8!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -111:sc= 1.09 (180deg=-0.684) USER MOD Single : A 94 TYR OH : rot 6:sc= 0.0577 USER MOD Single : A 95 SER OG : rot 81:sc= 1.29 USER MOD Single : A 98 THR OG1 : rot -177:sc= -0.584 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 48.065 4.638 -39.737 1.00 0.00 N ATOM 32 CA HIS A 3 47.207 3.922 -38.801 1.00 0.00 C ATOM 33 C HIS A 3 47.382 4.458 -37.385 1.00 0.00 C ATOM 34 O HIS A 3 48.471 4.887 -37.003 1.00 0.00 O ATOM 35 CB HIS A 3 47.521 2.426 -38.836 1.00 0.00 C ATOM 36 CG HIS A 3 46.521 1.623 -39.606 1.00 0.00 C ATOM 37 ND1 HIS A 3 46.605 1.422 -40.967 1.00 0.00 N ATOM 38 CD2 HIS A 3 45.413 0.963 -39.197 1.00 0.00 C ATOM 39 CE1 HIS A 3 45.593 0.672 -41.362 1.00 0.00 C ATOM 40 NE2 HIS A 3 44.854 0.379 -40.308 1.00 0.00 N ATOM 0 HA HIS A 3 46.171 4.077 -39.102 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.508 2.280 -39.276 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.568 2.049 -37.814 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.038 0.906 -38.186 1.00 0.00 H new ATOM 0 HE1 HIS A 3 45.402 0.352 -42.376 1.00 0.00 H new ATOM 0 HE2 HIS A 3 44.006 -0.188 -40.317 1.00 0.00 H new ATOM 49 N CYS A 4 46.304 4.428 -36.608 1.00 0.00 N ATOM 50 CA CYS A 4 46.344 4.910 -35.231 1.00 0.00 C ATOM 51 C CYS A 4 46.125 3.762 -34.252 1.00 0.00 C ATOM 52 O CYS A 4 45.479 2.768 -34.582 1.00 0.00 O ATOM 53 CB CYS A 4 45.287 5.995 -35.015 1.00 0.00 C ATOM 54 SG CYS A 4 43.893 5.909 -36.186 1.00 0.00 S ATOM 0 H CYS A 4 45.394 4.076 -36.907 1.00 0.00 H new ATOM 0 HA CYS A 4 47.330 5.338 -35.048 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.901 5.916 -33.999 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.761 6.973 -35.100 1.00 0.00 H new ATOM 59 N VAL A 5 46.671 3.902 -33.050 1.00 0.00 N ATOM 60 CA VAL A 5 46.537 2.872 -32.027 1.00 0.00 C ATOM 61 C VAL A 5 47.017 3.378 -30.670 1.00 0.00 C ATOM 62 O VAL A 5 48.152 3.835 -30.531 1.00 0.00 O ATOM 63 CB VAL A 5 47.328 1.603 -32.407 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.700 1.970 -32.947 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.447 0.666 -31.214 1.00 0.00 C ATOM 0 H VAL A 5 47.210 4.718 -32.760 1.00 0.00 H new ATOM 0 HA VAL A 5 45.478 2.624 -31.959 1.00 0.00 H new ATOM 0 HB VAL A 5 46.782 1.081 -33.193 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.243 1.062 -33.209 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.587 2.594 -33.833 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.256 2.518 -32.186 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.008 -0.222 -31.504 1.00 0.00 H new ATOM 0 HG22 VAL A 5 47.967 1.175 -30.402 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.451 0.373 -30.880 1.00 0.00 H new ATOM 75 N THR A 6 46.144 3.294 -29.672 1.00 0.00 N ATOM 76 CA THR A 6 46.475 3.743 -28.324 1.00 0.00 C ATOM 77 C THR A 6 47.856 3.254 -27.903 1.00 0.00 C ATOM 78 O THR A 6 48.844 3.980 -28.016 1.00 0.00 O ATOM 79 CB THR A 6 45.437 3.250 -27.300 1.00 0.00 C ATOM 80 OG1 THR A 6 45.487 1.823 -27.195 1.00 0.00 O ATOM 81 CG2 THR A 6 44.035 3.684 -27.702 1.00 0.00 C ATOM 0 H THR A 6 45.201 2.919 -29.771 1.00 0.00 H new ATOM 0 HA THR A 6 46.470 4.833 -28.344 1.00 0.00 H new ATOM 0 HB THR A 6 45.677 3.692 -26.333 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.465 1.428 -28.092 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.317 3.325 -26.964 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.991 4.772 -27.751 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.791 3.266 -28.679 1.00 0.00 H new ATOM 89 N ASP A 7 47.918 2.020 -27.413 1.00 0.00 N ATOM 90 CA ASP A 7 49.180 1.436 -26.971 1.00 0.00 C ATOM 91 C ASP A 7 49.390 0.057 -27.586 1.00 0.00 C ATOM 92 O ASP A 7 50.430 -0.216 -28.184 1.00 0.00 O ATOM 93 CB ASP A 7 49.212 1.335 -25.445 1.00 0.00 C ATOM 94 CG ASP A 7 50.620 1.416 -24.890 1.00 0.00 C ATOM 95 OD1 ASP A 7 51.560 1.635 -25.682 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.783 1.262 -23.660 1.00 0.00 O ATOM 0 H ASP A 7 47.110 1.405 -27.312 1.00 0.00 H new ATOM 0 HA ASP A 7 49.987 2.088 -27.304 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.609 2.137 -25.018 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.756 0.394 -25.136 1.00 0.00 H new ATOM 101 N SER A 8 48.395 -0.808 -27.431 1.00 0.00 N ATOM 102 CA SER A 8 48.467 -2.163 -27.968 1.00 0.00 C ATOM 103 C SER A 8 47.147 -2.902 -27.765 1.00 0.00 C ATOM 104 O SER A 8 47.126 -4.121 -27.603 1.00 0.00 O ATOM 105 CB SER A 8 49.606 -2.938 -27.303 1.00 0.00 C ATOM 106 OG SER A 8 49.235 -3.377 -26.008 1.00 0.00 O ATOM 0 H SER A 8 47.528 -0.596 -26.938 1.00 0.00 H new ATOM 0 HA SER A 8 48.661 -2.092 -29.038 1.00 0.00 H new ATOM 0 HB2 SER A 8 49.874 -3.797 -27.919 1.00 0.00 H new ATOM 0 HB3 SER A 8 50.491 -2.305 -27.236 1.00 0.00 H new ATOM 0 HG SER A 8 49.979 -3.871 -25.604 1.00 0.00 H new ATOM 112 N GLY A 9 46.047 -2.155 -27.778 1.00 0.00 N ATOM 113 CA GLY A 9 44.739 -2.758 -27.596 1.00 0.00 C ATOM 114 C GLY A 9 43.806 -2.475 -28.757 1.00 0.00 C ATOM 115 O GLY A 9 43.080 -3.360 -29.210 1.00 0.00 O ATOM 0 H GLY A 9 46.038 -1.144 -27.911 1.00 0.00 H new ATOM 0 HA2 GLY A 9 44.852 -3.836 -27.478 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.293 -2.382 -26.675 1.00 0.00 H new ATOM 119 N VAL A 10 43.828 -1.238 -29.237 1.00 0.00 N ATOM 120 CA VAL A 10 42.981 -0.834 -30.352 1.00 0.00 C ATOM 121 C VAL A 10 43.815 -0.245 -31.484 1.00 0.00 C ATOM 122 O VAL A 10 44.689 0.591 -31.254 1.00 0.00 O ATOM 123 CB VAL A 10 41.928 0.201 -29.913 1.00 0.00 C ATOM 124 CG1 VAL A 10 40.756 0.216 -30.882 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.456 -0.088 -28.496 1.00 0.00 C ATOM 0 H VAL A 10 44.424 -0.496 -28.871 1.00 0.00 H new ATOM 0 HA VAL A 10 42.471 -1.730 -30.705 1.00 0.00 H new ATOM 0 HB VAL A 10 42.389 1.189 -29.924 1.00 0.00 H new ATOM 0 HG11 VAL A 10 40.023 0.953 -30.555 1.00 0.00 H new ATOM 0 HG12 VAL A 10 41.112 0.476 -31.879 1.00 0.00 H new ATOM 0 HG13 VAL A 10 40.292 -0.770 -30.907 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.712 0.653 -28.202 1.00 0.00 H new ATOM 0 HG22 VAL A 10 41.013 -1.083 -28.456 1.00 0.00 H new ATOM 0 HG23 VAL A 10 42.304 -0.041 -27.813 1.00 0.00 H new ATOM 135 N VAL A 11 43.541 -0.688 -32.706 1.00 0.00 N ATOM 136 CA VAL A 11 44.269 -0.205 -33.873 1.00 0.00 C ATOM 137 C VAL A 11 43.361 0.592 -34.801 1.00 0.00 C ATOM 138 O VAL A 11 42.806 0.053 -35.758 1.00 0.00 O ATOM 139 CB VAL A 11 44.901 -1.365 -34.663 1.00 0.00 C ATOM 140 CG1 VAL A 11 45.660 -0.839 -35.872 1.00 0.00 C ATOM 141 CG2 VAL A 11 45.816 -2.184 -33.765 1.00 0.00 C ATOM 0 H VAL A 11 42.821 -1.380 -32.914 1.00 0.00 H new ATOM 0 HA VAL A 11 45.061 0.445 -33.501 1.00 0.00 H new ATOM 0 HB VAL A 11 44.102 -2.015 -35.021 1.00 0.00 H new ATOM 0 HG11 VAL A 11 46.099 -1.674 -36.417 1.00 0.00 H new ATOM 0 HG12 VAL A 11 44.974 -0.299 -36.525 1.00 0.00 H new ATOM 0 HG13 VAL A 11 46.451 -0.166 -35.541 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.254 -3.000 -34.340 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.610 -1.546 -33.376 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.240 -2.593 -32.935 1.00 0.00 H new ATOM 151 N TYR A 12 43.221 1.882 -34.514 1.00 0.00 N ATOM 152 CA TYR A 12 42.389 2.760 -35.325 1.00 0.00 C ATOM 153 C TYR A 12 43.069 3.061 -36.656 1.00 0.00 C ATOM 154 O TYR A 12 44.165 2.571 -36.928 1.00 0.00 O ATOM 155 CB TYR A 12 42.110 4.064 -34.577 1.00 0.00 C ATOM 156 CG TYR A 12 41.300 3.880 -33.314 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.918 3.760 -33.364 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.921 3.826 -32.074 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.175 3.590 -32.211 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.187 3.655 -30.916 1.00 0.00 C ATOM 161 CZ TYR A 12 39.814 3.538 -30.989 1.00 0.00 C ATOM 162 OH TYR A 12 39.080 3.369 -29.839 1.00 0.00 O ATOM 0 H TYR A 12 43.674 2.342 -33.724 1.00 0.00 H new ATOM 0 HA TYR A 12 41.444 2.254 -35.521 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.059 4.537 -34.324 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.580 4.747 -35.241 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.415 3.800 -34.319 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.995 3.919 -32.013 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.100 3.498 -32.266 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.685 3.613 -29.959 1.00 0.00 H new ATOM 0 HH TYR A 12 38.940 4.239 -29.410 1.00 0.00 H new ATOM 172 N SER A 13 42.419 3.875 -37.479 1.00 0.00 N ATOM 173 CA SER A 13 42.969 4.242 -38.777 1.00 0.00 C ATOM 174 C SER A 13 42.905 5.750 -38.989 1.00 0.00 C ATOM 175 O SER A 13 41.958 6.407 -38.561 1.00 0.00 O ATOM 176 CB SER A 13 42.220 3.520 -39.895 1.00 0.00 C ATOM 177 OG SER A 13 42.857 2.302 -40.236 1.00 0.00 O ATOM 0 H SER A 13 41.512 4.293 -37.271 1.00 0.00 H new ATOM 0 HA SER A 13 44.015 3.938 -38.800 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.195 3.322 -39.581 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.165 4.163 -40.773 1.00 0.00 H new ATOM 0 HG SER A 13 43.733 2.491 -40.634 1.00 0.00 H new ATOM 183 N VAL A 14 43.929 6.290 -39.646 1.00 0.00 N ATOM 184 CA VAL A 14 44.006 7.722 -39.914 1.00 0.00 C ATOM 185 C VAL A 14 42.623 8.328 -40.121 1.00 0.00 C ATOM 186 O VAL A 14 42.118 8.387 -41.242 1.00 0.00 O ATOM 187 CB VAL A 14 44.872 8.015 -41.152 1.00 0.00 C ATOM 188 CG1 VAL A 14 44.472 7.112 -42.308 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.761 9.480 -41.547 1.00 0.00 C ATOM 0 H VAL A 14 44.720 5.754 -40.003 1.00 0.00 H new ATOM 0 HA VAL A 14 44.467 8.178 -39.038 1.00 0.00 H new ATOM 0 HB VAL A 14 45.913 7.808 -40.902 1.00 0.00 H new ATOM 0 HG11 VAL A 14 45.095 7.333 -43.175 1.00 0.00 H new ATOM 0 HG12 VAL A 14 44.608 6.070 -42.020 1.00 0.00 H new ATOM 0 HG13 VAL A 14 43.426 7.285 -42.559 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.380 9.668 -42.424 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.722 9.717 -41.778 1.00 0.00 H new ATOM 0 HG23 VAL A 14 45.101 10.106 -40.722 1.00 0.00 H new ATOM 199 N GLY A 15 42.020 8.783 -39.029 1.00 0.00 N ATOM 200 CA GLY A 15 40.704 9.387 -39.099 1.00 0.00 C ATOM 201 C GLY A 15 39.591 8.401 -38.810 1.00 0.00 C ATOM 202 O GLY A 15 38.752 8.130 -39.669 1.00 0.00 O ATOM 0 H GLY A 15 42.422 8.744 -38.092 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.648 10.210 -38.387 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.557 9.814 -40.091 1.00 0.00 H new ATOM 206 N MET A 16 39.581 7.868 -37.595 1.00 0.00 N ATOM 207 CA MET A 16 38.559 6.911 -37.190 1.00 0.00 C ATOM 208 C MET A 16 37.709 7.475 -36.057 1.00 0.00 C ATOM 209 O MET A 16 36.532 7.143 -35.923 1.00 0.00 O ATOM 210 CB MET A 16 39.204 5.594 -36.755 1.00 0.00 C ATOM 211 CG MET A 16 38.595 4.373 -37.424 1.00 0.00 C ATOM 212 SD MET A 16 37.917 3.196 -36.239 1.00 0.00 S ATOM 213 CE MET A 16 38.961 1.773 -36.541 1.00 0.00 C ATOM 0 H MET A 16 40.269 8.082 -36.873 1.00 0.00 H new ATOM 0 HA MET A 16 37.913 6.722 -38.047 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.270 5.628 -36.980 1.00 0.00 H new ATOM 0 HB3 MET A 16 39.110 5.492 -35.674 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.806 4.692 -38.105 1.00 0.00 H new ATOM 0 HG3 MET A 16 39.355 3.877 -38.028 1.00 0.00 H new ATOM 0 HE1 MET A 16 39.310 1.370 -35.590 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.392 1.010 -37.072 1.00 0.00 H new ATOM 0 HE3 MET A 16 39.818 2.072 -37.145 1.00 0.00 H new ATOM 223 N GLN A 17 38.316 8.337 -35.246 1.00 0.00 N ATOM 224 CA GLN A 17 37.618 8.958 -34.126 1.00 0.00 C ATOM 225 C GLN A 17 37.090 7.908 -33.155 1.00 0.00 C ATOM 226 O GLN A 17 36.541 6.886 -33.564 1.00 0.00 O ATOM 227 CB GLN A 17 36.466 9.824 -34.634 1.00 0.00 C ATOM 228 CG GLN A 17 36.878 11.248 -34.973 1.00 0.00 C ATOM 229 CD GLN A 17 35.707 12.106 -35.409 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.787 12.824 -36.407 1.00 0.00 O ATOM 231 NE2 GLN A 17 34.612 12.038 -34.661 1.00 0.00 N ATOM 0 H GLN A 17 39.291 8.621 -35.344 1.00 0.00 H new ATOM 0 HA GLN A 17 38.332 9.587 -33.594 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.036 9.358 -35.521 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.682 9.852 -33.877 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.352 11.702 -34.103 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.624 11.227 -35.768 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.590 11.429 -33.843 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.793 12.594 -34.905 1.00 0.00 H new ATOM 240 N TRP A 18 37.254 8.177 -31.863 1.00 0.00 N ATOM 241 CA TRP A 18 36.789 7.266 -30.823 1.00 0.00 C ATOM 242 C TRP A 18 36.807 7.954 -29.461 1.00 0.00 C ATOM 243 O TRP A 18 37.105 9.144 -29.363 1.00 0.00 O ATOM 244 CB TRP A 18 37.650 6.001 -30.793 1.00 0.00 C ATOM 245 CG TRP A 18 39.026 6.221 -30.240 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.383 6.245 -28.923 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.228 6.442 -30.987 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.735 6.466 -28.805 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.275 6.592 -30.059 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.522 6.528 -32.351 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.593 6.822 -30.451 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.828 6.756 -32.737 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.849 6.899 -31.792 1.00 0.00 C ATOM 0 H TRP A 18 37.707 9.021 -31.511 1.00 0.00 H new ATOM 0 HA TRP A 18 35.762 6.980 -31.052 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.145 5.243 -30.195 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.734 5.605 -31.805 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.703 6.110 -28.095 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.252 6.526 -27.928 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.742 6.418 -33.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.382 6.935 -29.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.065 6.825 -33.788 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.860 7.074 -32.128 1.00 0.00 H new ATOM 264 N LEU A 19 36.484 7.203 -28.415 1.00 0.00 N ATOM 265 CA LEU A 19 36.460 7.752 -27.063 1.00 0.00 C ATOM 266 C LEU A 19 37.276 6.886 -26.109 1.00 0.00 C ATOM 267 O LEU A 19 37.334 5.666 -26.256 1.00 0.00 O ATOM 268 CB LEU A 19 35.018 7.868 -26.562 1.00 0.00 C ATOM 269 CG LEU A 19 34.836 8.688 -25.283 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.729 10.172 -25.607 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.607 8.219 -24.520 1.00 0.00 C ATOM 0 H LEU A 19 36.236 6.216 -28.475 1.00 0.00 H new ATOM 0 HA LEU A 19 36.907 8.746 -27.093 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.411 8.314 -27.350 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.628 6.865 -26.390 1.00 0.00 H new ATOM 0 HG LEU A 19 35.712 8.538 -24.652 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.600 10.738 -24.684 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.638 10.501 -26.110 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.872 10.341 -26.259 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.493 8.813 -23.613 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.723 8.339 -25.146 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.723 7.169 -24.253 1.00 0.00 H new ATOM 283 N LYS A 20 37.907 7.529 -25.132 1.00 0.00 N ATOM 284 CA LYS A 20 38.723 6.820 -24.153 1.00 0.00 C ATOM 285 C LYS A 20 38.267 7.136 -22.731 1.00 0.00 C ATOM 286 O LYS A 20 37.860 8.259 -22.434 1.00 0.00 O ATOM 287 CB LYS A 20 40.197 7.192 -24.324 1.00 0.00 C ATOM 288 CG LYS A 20 41.156 6.169 -23.740 1.00 0.00 C ATOM 289 CD LYS A 20 40.879 4.774 -24.278 1.00 0.00 C ATOM 290 CE LYS A 20 40.241 3.887 -23.222 1.00 0.00 C ATOM 291 NZ LYS A 20 40.723 2.480 -23.313 1.00 0.00 N ATOM 0 H LYS A 20 37.869 8.539 -24.997 1.00 0.00 H new ATOM 0 HA LYS A 20 38.603 5.750 -24.323 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.411 7.313 -25.386 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.376 8.157 -23.850 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.181 6.454 -23.976 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.068 6.165 -22.654 1.00 0.00 H new ATOM 0 HD2 LYS A 20 40.221 4.841 -25.144 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.811 4.323 -24.619 1.00 0.00 H new ATOM 0 HE2 LYS A 20 40.464 4.284 -22.232 1.00 0.00 H new ATOM 0 HE3 LYS A 20 39.157 3.908 -23.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 40.264 1.908 -22.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 40.488 2.092 -24.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 41.754 2.457 -23.178 1.00 0.00 H new ATOM 379 N GLN A 26 35.899 10.631 -18.228 1.00 0.00 N ATOM 380 CA GLN A 26 35.685 10.381 -19.650 1.00 0.00 C ATOM 381 C GLN A 26 36.631 11.221 -20.503 1.00 0.00 C ATOM 382 O GLN A 26 37.167 12.229 -20.043 1.00 0.00 O ATOM 383 CB GLN A 26 34.235 10.687 -20.027 1.00 0.00 C ATOM 384 CG GLN A 26 33.416 9.449 -20.349 1.00 0.00 C ATOM 385 CD GLN A 26 31.940 9.754 -20.515 1.00 0.00 C ATOM 386 OE1 GLN A 26 31.561 10.877 -20.845 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.100 8.752 -20.285 1.00 0.00 N ATOM 0 HA GLN A 26 35.892 9.328 -19.843 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.760 11.223 -19.205 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.226 11.353 -20.890 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.795 8.995 -21.265 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.545 8.716 -19.553 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.460 7.837 -20.013 1.00 0.00 H new ATOM 0 HE22 GLN A 26 30.095 8.897 -20.380 1.00 0.00 H new ATOM 396 N MET A 27 36.832 10.798 -21.747 1.00 0.00 N ATOM 397 CA MET A 27 37.713 11.510 -22.665 1.00 0.00 C ATOM 398 C MET A 27 37.544 10.994 -24.092 1.00 0.00 C ATOM 399 O MET A 27 37.342 9.800 -24.309 1.00 0.00 O ATOM 400 CB MET A 27 39.169 11.360 -22.220 1.00 0.00 C ATOM 401 CG MET A 27 40.169 11.953 -23.198 1.00 0.00 C ATOM 402 SD MET A 27 41.092 10.692 -24.097 1.00 0.00 S ATOM 403 CE MET A 27 42.726 10.903 -23.393 1.00 0.00 C ATOM 0 H MET A 27 36.396 9.965 -22.142 1.00 0.00 H new ATOM 0 HA MET A 27 37.443 12.566 -22.649 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.295 11.840 -21.249 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.391 10.302 -22.083 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.642 12.589 -23.910 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.867 12.591 -22.656 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.455 10.365 -23.998 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.981 11.963 -23.375 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.738 10.510 -22.376 1.00 0.00 H new ATOM 413 N LEU A 28 37.625 11.901 -25.061 1.00 0.00 N ATOM 414 CA LEU A 28 37.477 11.535 -26.468 1.00 0.00 C ATOM 415 C LEU A 28 38.827 11.523 -27.176 1.00 0.00 C ATOM 416 O LEU A 28 39.537 12.529 -27.199 1.00 0.00 O ATOM 417 CB LEU A 28 36.533 12.513 -27.171 1.00 0.00 C ATOM 418 CG LEU A 28 36.357 12.274 -28.671 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.918 11.897 -28.986 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.767 13.510 -29.458 1.00 0.00 C ATOM 0 H LEU A 28 37.792 12.894 -24.899 1.00 0.00 H new ATOM 0 HA LEU A 28 37.056 10.531 -26.512 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.555 12.459 -26.692 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.906 13.526 -27.021 1.00 0.00 H new ATOM 0 HG LEU A 28 37.002 11.446 -28.966 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.812 11.731 -30.058 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.655 10.985 -28.450 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.254 12.704 -28.677 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.636 13.323 -30.524 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.146 14.354 -29.159 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.813 13.739 -29.256 1.00 0.00 H new ATOM 432 N CYS A 29 39.175 10.378 -27.757 1.00 0.00 N ATOM 433 CA CYS A 29 40.440 10.233 -28.469 1.00 0.00 C ATOM 434 C CYS A 29 40.207 10.158 -29.978 1.00 0.00 C ATOM 435 O CYS A 29 39.215 9.590 -30.433 1.00 0.00 O ATOM 436 CB CYS A 29 41.171 8.976 -27.993 1.00 0.00 C ATOM 437 SG CYS A 29 42.384 9.268 -26.663 1.00 0.00 S ATOM 0 H CYS A 29 38.598 9.537 -27.748 1.00 0.00 H new ATOM 0 HA CYS A 29 41.054 11.108 -28.256 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.434 8.252 -27.644 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.683 8.525 -28.843 1.00 0.00 H new ATOM 442 N THR A 30 41.127 10.733 -30.748 1.00 0.00 N ATOM 443 CA THR A 30 41.017 10.728 -32.203 1.00 0.00 C ATOM 444 C THR A 30 42.389 10.747 -32.861 1.00 0.00 C ATOM 445 O THR A 30 43.345 11.290 -32.307 1.00 0.00 O ATOM 446 CB THR A 30 40.214 11.938 -32.717 1.00 0.00 C ATOM 447 OG1 THR A 30 38.898 11.933 -32.152 1.00 0.00 O ATOM 448 CG2 THR A 30 40.121 11.918 -34.236 1.00 0.00 C ATOM 0 H THR A 30 41.955 11.207 -30.389 1.00 0.00 H new ATOM 0 HA THR A 30 40.494 9.809 -32.468 1.00 0.00 H new ATOM 0 HB THR A 30 40.733 12.846 -32.411 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.397 12.707 -32.484 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.550 12.781 -34.577 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.123 11.955 -34.662 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.623 11.003 -34.558 1.00 0.00 H new ATOM 456 N CYS A 31 42.478 10.164 -34.051 1.00 0.00 N ATOM 457 CA CYS A 31 43.732 10.133 -34.786 1.00 0.00 C ATOM 458 C CYS A 31 43.595 10.902 -36.092 1.00 0.00 C ATOM 459 O CYS A 31 42.976 10.431 -37.047 1.00 0.00 O ATOM 460 CB CYS A 31 44.166 8.692 -35.053 1.00 0.00 C ATOM 461 SG CYS A 31 42.948 7.689 -35.955 1.00 0.00 S ATOM 0 H CYS A 31 41.698 9.708 -34.524 1.00 0.00 H new ATOM 0 HA CYS A 31 44.501 10.612 -34.180 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.097 8.706 -35.620 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.381 8.209 -34.100 1.00 0.00 H new ATOM 466 N LEU A 32 44.165 12.100 -36.115 1.00 0.00 N ATOM 467 CA LEU A 32 44.102 12.962 -37.288 1.00 0.00 C ATOM 468 C LEU A 32 45.114 12.531 -38.349 1.00 0.00 C ATOM 469 O LEU A 32 44.859 11.603 -39.118 1.00 0.00 O ATOM 470 CB LEU A 32 44.346 14.420 -36.885 1.00 0.00 C ATOM 471 CG LEU A 32 45.283 14.612 -35.689 1.00 0.00 C ATOM 472 CD1 LEU A 32 46.236 15.770 -35.933 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.480 14.835 -34.416 1.00 0.00 C ATOM 0 H LEU A 32 44.679 12.499 -35.329 1.00 0.00 H new ATOM 0 HA LEU A 32 43.105 12.872 -37.719 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.760 14.954 -37.741 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.387 14.883 -36.654 1.00 0.00 H new ATOM 0 HG LEU A 32 45.876 13.706 -35.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.893 15.889 -35.071 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.835 15.567 -36.820 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.665 16.686 -36.083 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.161 14.970 -33.575 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.861 15.725 -34.528 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.843 13.970 -34.232 1.00 0.00 H new ATOM 485 N GLY A 33 46.262 13.206 -38.394 1.00 0.00 N ATOM 486 CA GLY A 33 47.279 12.868 -39.371 1.00 0.00 C ATOM 487 C GLY A 33 48.676 12.884 -38.786 1.00 0.00 C ATOM 488 O GLY A 33 49.499 12.026 -39.106 1.00 0.00 O ATOM 0 H GLY A 33 46.503 13.978 -37.772 1.00 0.00 H new ATOM 0 HA2 GLY A 33 47.071 11.879 -39.779 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.229 13.572 -40.201 1.00 0.00 H new ATOM 492 N ASN A 34 48.941 13.857 -37.923 1.00 0.00 N ATOM 493 CA ASN A 34 50.247 13.977 -37.288 1.00 0.00 C ATOM 494 C ASN A 34 50.424 12.901 -36.224 1.00 0.00 C ATOM 495 O ASN A 34 51.544 12.487 -35.922 1.00 0.00 O ATOM 496 CB ASN A 34 50.413 15.368 -36.669 1.00 0.00 C ATOM 497 CG ASN A 34 49.821 15.462 -35.276 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.719 14.975 -35.023 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.553 16.092 -34.364 1.00 0.00 N ATOM 0 H ASN A 34 48.270 14.574 -37.647 1.00 0.00 H new ATOM 0 HA ASN A 34 51.014 13.840 -38.050 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.473 15.618 -36.627 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.936 16.107 -37.313 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.207 16.187 -33.409 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.461 16.480 -34.618 1.00 0.00 H new ATOM 506 N GLY A 35 49.307 12.450 -35.661 1.00 0.00 N ATOM 507 CA GLY A 35 49.355 11.422 -34.639 1.00 0.00 C ATOM 508 C GLY A 35 47.980 11.071 -34.102 1.00 0.00 C ATOM 509 O GLY A 35 47.104 10.644 -34.854 1.00 0.00 O ATOM 0 H GLY A 35 48.370 12.779 -35.895 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.820 10.526 -35.051 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.987 11.760 -33.818 1.00 0.00 H new ATOM 513 N VAL A 36 47.793 11.255 -32.799 1.00 0.00 N ATOM 514 CA VAL A 36 46.516 10.960 -32.159 1.00 0.00 C ATOM 515 C VAL A 36 46.268 11.904 -30.986 1.00 0.00 C ATOM 516 O VAL A 36 47.013 11.901 -30.006 1.00 0.00 O ATOM 517 CB VAL A 36 46.452 9.496 -31.665 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.320 9.308 -30.665 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.287 8.545 -32.838 1.00 0.00 C ATOM 0 H VAL A 36 48.510 11.607 -32.165 1.00 0.00 H new ATOM 0 HA VAL A 36 45.739 11.105 -32.910 1.00 0.00 H new ATOM 0 HB VAL A 36 47.391 9.268 -31.162 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.296 8.270 -30.333 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.481 9.960 -29.806 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.371 9.559 -31.138 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.244 7.519 -32.472 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.365 8.780 -33.370 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.134 8.653 -33.516 1.00 0.00 H new ATOM 529 N SER A 37 45.218 12.710 -31.095 1.00 0.00 N ATOM 530 CA SER A 37 44.871 13.660 -30.044 1.00 0.00 C ATOM 531 C SER A 37 43.539 13.292 -29.400 1.00 0.00 C ATOM 532 O SER A 37 42.725 12.588 -29.998 1.00 0.00 O ATOM 533 CB SER A 37 44.802 15.078 -30.611 1.00 0.00 C ATOM 534 OG SER A 37 44.382 16.003 -29.623 1.00 0.00 O ATOM 0 H SER A 37 44.592 12.725 -31.900 1.00 0.00 H new ATOM 0 HA SER A 37 45.648 13.620 -29.281 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.781 15.368 -30.993 1.00 0.00 H new ATOM 0 HB3 SER A 37 44.111 15.103 -31.454 1.00 0.00 H new ATOM 0 HG SER A 37 44.348 16.902 -30.010 1.00 0.00 H new ATOM 540 N CYS A 38 43.322 13.771 -28.181 1.00 0.00 N ATOM 541 CA CYS A 38 42.087 13.488 -27.462 1.00 0.00 C ATOM 542 C CYS A 38 41.628 14.702 -26.661 1.00 0.00 C ATOM 543 O CYS A 38 42.403 15.627 -26.416 1.00 0.00 O ATOM 544 CB CYS A 38 42.278 12.291 -26.531 1.00 0.00 C ATOM 545 SG CYS A 38 43.329 10.974 -27.223 1.00 0.00 S ATOM 0 H CYS A 38 43.984 14.356 -27.671 1.00 0.00 H new ATOM 0 HA CYS A 38 41.317 13.251 -28.196 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.717 12.638 -25.595 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.301 11.873 -26.289 1.00 0.00 H new ATOM 550 N GLN A 39 40.363 14.690 -26.256 1.00 0.00 N ATOM 551 CA GLN A 39 39.797 15.788 -25.482 1.00 0.00 C ATOM 552 C GLN A 39 39.356 15.309 -24.103 1.00 0.00 C ATOM 553 O GLN A 39 38.232 14.836 -23.930 1.00 0.00 O ATOM 554 CB GLN A 39 38.610 16.404 -26.224 1.00 0.00 C ATOM 555 CG GLN A 39 38.994 17.063 -27.539 1.00 0.00 C ATOM 556 CD GLN A 39 40.093 18.093 -27.372 1.00 0.00 C ATOM 557 OE1 GLN A 39 40.883 18.328 -28.287 1.00 0.00 O ATOM 558 NE2 GLN A 39 40.150 18.713 -26.199 1.00 0.00 N ATOM 0 H GLN A 39 39.710 13.931 -26.451 1.00 0.00 H new ATOM 0 HA GLN A 39 40.570 16.546 -25.354 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.870 15.627 -26.418 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.134 17.144 -25.581 1.00 0.00 H new ATOM 0 HG2 GLN A 39 39.321 16.298 -28.243 1.00 0.00 H new ATOM 0 HG3 GLN A 39 38.115 17.541 -27.973 1.00 0.00 H new ATOM 0 HE21 GLN A 39 39.474 18.487 -25.469 1.00 0.00 H new ATOM 0 HE22 GLN A 39 40.869 19.416 -26.028 1.00 0.00 H new ATOM 636 N GLN A 45 29.214 21.244 -18.236 1.00 0.00 N ATOM 637 CA GLN A 45 28.133 21.550 -17.305 1.00 0.00 C ATOM 638 C GLN A 45 26.777 21.473 -17.998 1.00 0.00 C ATOM 639 O GLN A 45 26.685 21.590 -19.221 1.00 0.00 O ATOM 640 CB GLN A 45 28.332 22.941 -16.700 1.00 0.00 C ATOM 641 CG GLN A 45 29.747 23.198 -16.210 1.00 0.00 C ATOM 642 CD GLN A 45 29.923 22.877 -14.738 1.00 0.00 C ATOM 643 OE1 GLN A 45 29.781 21.729 -14.320 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.234 23.895 -13.944 1.00 0.00 N ATOM 0 HA GLN A 45 28.154 20.807 -16.507 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.073 23.692 -17.446 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.640 23.068 -15.867 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.444 22.598 -16.795 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.003 24.243 -16.383 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.342 24.831 -14.334 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.365 23.741 -12.944 1.00 0.00 H new ATOM 653 N THR A 46 25.725 21.279 -17.210 1.00 0.00 N ATOM 654 CA THR A 46 24.374 21.189 -17.748 1.00 0.00 C ATOM 655 C THR A 46 23.403 22.038 -16.935 1.00 0.00 C ATOM 656 O THR A 46 23.645 22.326 -15.763 1.00 0.00 O ATOM 657 CB THR A 46 23.872 19.733 -17.772 1.00 0.00 C ATOM 658 OG1 THR A 46 24.477 18.985 -16.711 1.00 0.00 O ATOM 659 CG2 THR A 46 24.191 19.076 -19.105 1.00 0.00 C ATOM 0 H THR A 46 25.783 21.181 -16.196 1.00 0.00 H new ATOM 0 HA THR A 46 24.415 21.565 -18.770 1.00 0.00 H new ATOM 0 HB THR A 46 22.791 19.743 -17.636 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.036 18.114 -16.632 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.828 18.048 -19.100 1.00 0.00 H new ATOM 0 HG22 THR A 46 23.705 19.629 -19.909 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.269 19.079 -19.263 1.00 0.00 H new ATOM 667 N TYR A 47 22.305 22.440 -17.567 1.00 0.00 N ATOM 668 CA TYR A 47 21.300 23.260 -16.903 1.00 0.00 C ATOM 669 C TYR A 47 20.013 23.319 -17.719 1.00 0.00 C ATOM 670 O TYR A 47 19.999 22.987 -18.905 1.00 0.00 O ATOM 671 CB TYR A 47 21.838 24.675 -16.686 1.00 0.00 C ATOM 672 CG TYR A 47 21.973 25.467 -17.967 1.00 0.00 C ATOM 673 CD1 TYR A 47 20.861 26.041 -18.570 1.00 0.00 C ATOM 674 CD2 TYR A 47 23.211 25.635 -18.576 1.00 0.00 C ATOM 675 CE1 TYR A 47 20.977 26.760 -19.743 1.00 0.00 C ATOM 676 CE2 TYR A 47 23.335 26.355 -19.749 1.00 0.00 C ATOM 677 CZ TYR A 47 22.215 26.914 -20.330 1.00 0.00 C ATOM 678 OH TYR A 47 22.335 27.631 -21.498 1.00 0.00 O ATOM 0 H TYR A 47 22.089 22.211 -18.537 1.00 0.00 H new ATOM 0 HA TYR A 47 21.076 22.804 -15.939 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.174 25.208 -16.006 1.00 0.00 H new ATOM 0 HB3 TYR A 47 22.812 24.615 -16.200 1.00 0.00 H new ATOM 0 HD1 TYR A 47 19.889 25.923 -18.114 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.089 25.196 -18.126 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.102 27.200 -20.199 1.00 0.00 H new ATOM 0 HE2 TYR A 47 24.304 26.480 -20.209 1.00 0.00 H new ATOM 0 HH TYR A 47 23.274 27.645 -21.778 1.00 0.00 H new ATOM 688 N GLY A 48 18.933 23.746 -17.072 1.00 0.00 N ATOM 689 CA GLY A 48 17.651 23.850 -17.743 1.00 0.00 C ATOM 690 C GLY A 48 17.440 22.763 -18.777 1.00 0.00 C ATOM 691 O GLY A 48 17.595 21.577 -18.483 1.00 0.00 O ATOM 0 H GLY A 48 18.924 24.023 -16.090 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.853 23.800 -17.002 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.577 24.824 -18.226 1.00 0.00 H new ATOM 695 N GLY A 49 17.082 23.168 -19.990 1.00 0.00 N ATOM 696 CA GLY A 49 16.849 22.210 -21.053 1.00 0.00 C ATOM 697 C GLY A 49 15.484 21.559 -20.951 1.00 0.00 C ATOM 698 O GLY A 49 14.460 22.240 -20.969 1.00 0.00 O ATOM 0 H GLY A 49 16.949 24.144 -20.256 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.939 22.711 -22.017 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.620 21.440 -21.021 1.00 0.00 H new ATOM 702 N ASN A 50 15.470 20.235 -20.837 1.00 0.00 N ATOM 703 CA ASN A 50 14.221 19.493 -20.726 1.00 0.00 C ATOM 704 C ASN A 50 14.212 18.627 -19.470 1.00 0.00 C ATOM 705 O ASN A 50 13.226 17.948 -19.180 1.00 0.00 O ATOM 706 CB ASN A 50 14.007 18.621 -21.964 1.00 0.00 C ATOM 707 CG ASN A 50 12.702 18.933 -22.672 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.367 20.095 -22.897 1.00 0.00 O ATOM 709 ND2 ASN A 50 11.957 17.892 -23.024 1.00 0.00 N ATOM 0 H ASN A 50 16.309 19.655 -20.819 1.00 0.00 H new ATOM 0 HA ASN A 50 13.406 20.213 -20.654 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.837 18.767 -22.656 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.017 17.571 -21.672 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.068 18.039 -23.501 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.274 16.945 -22.817 1.00 0.00 H new ATOM 716 N SER A 51 15.314 18.655 -18.726 1.00 0.00 N ATOM 717 CA SER A 51 15.431 17.874 -17.501 1.00 0.00 C ATOM 718 C SER A 51 16.145 18.671 -16.414 1.00 0.00 C ATOM 719 O SER A 51 16.660 18.103 -15.450 1.00 0.00 O ATOM 720 CB SER A 51 16.184 16.571 -17.772 1.00 0.00 C ATOM 721 OG SER A 51 15.417 15.446 -17.381 1.00 0.00 O ATOM 0 H SER A 51 16.139 19.211 -18.951 1.00 0.00 H new ATOM 0 HA SER A 51 14.425 17.638 -17.153 1.00 0.00 H new ATOM 0 HB2 SER A 51 16.424 16.500 -18.833 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.130 16.575 -17.231 1.00 0.00 H new ATOM 0 HG SER A 51 15.921 14.626 -17.566 1.00 0.00 H new ATOM 727 N ASN A 52 16.173 19.991 -16.574 1.00 0.00 N ATOM 728 CA ASN A 52 16.824 20.865 -15.606 1.00 0.00 C ATOM 729 C ASN A 52 18.269 20.434 -15.372 1.00 0.00 C ATOM 730 O ASN A 52 18.756 20.445 -14.242 1.00 0.00 O ATOM 731 CB ASN A 52 16.056 20.857 -14.284 1.00 0.00 C ATOM 732 CG ASN A 52 16.696 21.749 -13.238 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.518 21.300 -12.441 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.318 23.022 -13.237 1.00 0.00 N ATOM 0 H ASN A 52 15.752 20.478 -17.365 1.00 0.00 H new ATOM 0 HA ASN A 52 16.826 21.877 -16.010 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.032 21.185 -14.460 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.003 19.837 -13.904 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.713 23.671 -12.556 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.633 23.351 -13.917 1.00 0.00 H new ATOM 741 N GLY A 53 18.947 20.053 -16.449 1.00 0.00 N ATOM 742 CA GLY A 53 20.328 19.622 -16.343 1.00 0.00 C ATOM 743 C GLY A 53 20.453 18.122 -16.158 1.00 0.00 C ATOM 744 O GLY A 53 19.894 17.345 -16.933 1.00 0.00 O ATOM 0 H GLY A 53 18.564 20.035 -17.394 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.869 19.921 -17.241 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.801 20.130 -15.502 1.00 0.00 H new ATOM 748 N GLU A 54 21.189 17.715 -15.130 1.00 0.00 N ATOM 749 CA GLU A 54 21.386 16.299 -14.845 1.00 0.00 C ATOM 750 C GLU A 54 22.456 15.704 -15.754 1.00 0.00 C ATOM 751 O GLU A 54 22.816 16.289 -16.775 1.00 0.00 O ATOM 752 CB GLU A 54 20.073 15.534 -15.017 1.00 0.00 C ATOM 753 CG GLU A 54 18.876 16.236 -14.399 1.00 0.00 C ATOM 754 CD GLU A 54 17.686 15.314 -14.222 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.897 14.088 -14.101 1.00 0.00 O ATOM 756 OE2 GLU A 54 16.542 15.816 -14.204 1.00 0.00 O ATOM 0 H GLU A 54 21.659 18.346 -14.480 1.00 0.00 H new ATOM 0 HA GLU A 54 21.720 16.206 -13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.886 15.383 -16.080 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.176 14.546 -14.568 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.160 16.646 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.588 17.078 -15.029 1.00 0.00 H new ATOM 763 N PRO A 55 22.977 14.525 -15.387 1.00 0.00 N ATOM 764 CA PRO A 55 24.013 13.836 -16.165 1.00 0.00 C ATOM 765 C PRO A 55 23.546 13.507 -17.578 1.00 0.00 C ATOM 766 O PRO A 55 22.432 13.023 -17.777 1.00 0.00 O ATOM 767 CB PRO A 55 24.268 12.549 -15.372 1.00 0.00 C ATOM 768 CG PRO A 55 23.749 12.827 -14.002 1.00 0.00 C ATOM 769 CD PRO A 55 22.596 13.770 -14.185 1.00 0.00 C ATOM 0 HA PRO A 55 24.903 14.452 -16.292 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.755 11.700 -15.823 1.00 0.00 H new ATOM 0 HB3 PRO A 55 25.330 12.304 -15.349 1.00 0.00 H new ATOM 0 HG2 PRO A 55 23.428 11.908 -13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 55 24.521 13.271 -13.374 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.656 13.236 -14.324 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.467 14.423 -13.322 1.00 0.00 H new ATOM 777 N CYS A 56 24.404 13.772 -18.559 1.00 0.00 N ATOM 778 CA CYS A 56 24.074 13.501 -19.953 1.00 0.00 C ATOM 779 C CYS A 56 24.209 12.016 -20.266 1.00 0.00 C ATOM 780 O CYS A 56 24.561 11.217 -19.398 1.00 0.00 O ATOM 781 CB CYS A 56 24.962 14.327 -20.883 1.00 0.00 C ATOM 782 SG CYS A 56 25.176 16.060 -20.360 1.00 0.00 S ATOM 0 H CYS A 56 25.331 14.173 -18.414 1.00 0.00 H new ATOM 0 HA CYS A 56 23.036 13.789 -20.118 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.942 13.854 -20.947 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.534 14.311 -21.885 1.00 0.00 H new ATOM 787 N VAL A 57 23.910 11.649 -21.506 1.00 0.00 N ATOM 788 CA VAL A 57 23.979 10.257 -21.930 1.00 0.00 C ATOM 789 C VAL A 57 24.688 10.114 -23.271 1.00 0.00 C ATOM 790 O VAL A 57 24.092 9.676 -24.255 1.00 0.00 O ATOM 791 CB VAL A 57 22.572 9.653 -22.049 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.829 10.287 -23.214 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.645 8.141 -22.208 1.00 0.00 C ATOM 0 H VAL A 57 23.617 12.298 -22.237 1.00 0.00 H new ATOM 0 HA VAL A 57 24.548 9.722 -21.169 1.00 0.00 H new ATOM 0 HB VAL A 57 22.022 9.865 -21.132 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.832 9.852 -23.290 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.744 11.361 -23.050 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.377 10.103 -24.138 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.637 7.735 -22.290 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.209 7.897 -23.108 1.00 0.00 H new ATOM 0 HG23 VAL A 57 23.141 7.707 -21.340 1.00 0.00 H new ATOM 803 N LEU A 58 25.963 10.478 -23.306 1.00 0.00 N ATOM 804 CA LEU A 58 26.745 10.380 -24.534 1.00 0.00 C ATOM 805 C LEU A 58 27.976 9.503 -24.330 1.00 0.00 C ATOM 806 O LEU A 58 28.297 9.117 -23.206 1.00 0.00 O ATOM 807 CB LEU A 58 27.168 11.770 -25.019 1.00 0.00 C ATOM 808 CG LEU A 58 26.474 12.941 -24.325 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.922 13.045 -22.878 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.753 14.242 -25.065 1.00 0.00 C ATOM 0 H LEU A 58 26.477 10.842 -22.504 1.00 0.00 H new ATOM 0 HA LEU A 58 26.114 9.919 -25.294 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.244 11.873 -24.881 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.976 11.838 -26.090 1.00 0.00 H new ATOM 0 HG LEU A 58 25.399 12.760 -24.340 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.417 13.885 -22.400 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.671 12.124 -22.352 1.00 0.00 H new ATOM 0 HD13 LEU A 58 28.000 13.201 -22.841 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.251 15.065 -24.556 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.827 14.428 -25.082 1.00 0.00 H new ATOM 0 HD23 LEU A 58 26.381 14.166 -26.087 1.00 0.00 H new ATOM 822 N PRO A 59 28.679 9.178 -25.424 1.00 0.00 N ATOM 823 CA PRO A 59 28.312 9.630 -26.769 1.00 0.00 C ATOM 824 C PRO A 59 27.000 9.017 -27.250 1.00 0.00 C ATOM 825 O PRO A 59 26.855 7.795 -27.292 1.00 0.00 O ATOM 826 CB PRO A 59 29.474 9.150 -27.651 1.00 0.00 C ATOM 827 CG PRO A 59 30.566 8.783 -26.703 1.00 0.00 C ATOM 828 CD PRO A 59 29.889 8.348 -25.439 1.00 0.00 C ATOM 0 HA PRO A 59 28.157 10.708 -26.799 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.178 8.295 -28.259 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.796 9.933 -28.337 1.00 0.00 H new ATOM 0 HG2 PRO A 59 31.183 7.982 -27.110 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.225 9.632 -26.520 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.651 7.284 -25.452 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.513 8.525 -24.563 1.00 0.00 H new ATOM 836 N PHE A 60 26.048 9.870 -27.617 1.00 0.00 N ATOM 837 CA PHE A 60 24.752 9.402 -28.101 1.00 0.00 C ATOM 838 C PHE A 60 24.612 9.666 -29.598 1.00 0.00 C ATOM 839 O PHE A 60 25.546 10.140 -30.244 1.00 0.00 O ATOM 840 CB PHE A 60 23.616 10.091 -27.344 1.00 0.00 C ATOM 841 CG PHE A 60 23.762 11.582 -27.279 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.767 12.339 -28.438 1.00 0.00 C ATOM 843 CD2 PHE A 60 23.895 12.227 -26.060 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.903 13.712 -28.384 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.030 13.599 -26.001 1.00 0.00 C ATOM 846 CZ PHE A 60 24.033 14.343 -27.164 1.00 0.00 C ATOM 0 H PHE A 60 26.148 10.885 -27.589 1.00 0.00 H new ATOM 0 HA PHE A 60 24.692 8.328 -27.926 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.669 9.847 -27.824 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.571 9.693 -26.330 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.663 11.850 -29.395 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.893 11.650 -25.147 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.908 14.291 -29.296 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.133 14.091 -25.045 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.137 15.417 -27.119 1.00 0.00 H new ATOM 856 N THR A 61 23.440 9.360 -30.143 1.00 0.00 N ATOM 857 CA THR A 61 23.182 9.569 -31.563 1.00 0.00 C ATOM 858 C THR A 61 21.994 10.501 -31.766 1.00 0.00 C ATOM 859 O THR A 61 20.887 10.223 -31.302 1.00 0.00 O ATOM 860 CB THR A 61 22.909 8.238 -32.287 1.00 0.00 C ATOM 861 OG1 THR A 61 23.503 7.155 -31.562 1.00 0.00 O ATOM 862 CG2 THR A 61 23.463 8.264 -33.704 1.00 0.00 C ATOM 0 H THR A 61 22.655 8.967 -29.624 1.00 0.00 H new ATOM 0 HA THR A 61 24.077 10.023 -31.988 1.00 0.00 H new ATOM 0 HB THR A 61 21.829 8.096 -32.338 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.323 6.312 -32.028 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.257 7.312 -34.193 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.990 9.070 -34.265 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.540 8.429 -33.671 1.00 0.00 H new ATOM 870 N TYR A 62 22.230 11.608 -32.461 1.00 0.00 N ATOM 871 CA TYR A 62 21.178 12.583 -32.723 1.00 0.00 C ATOM 872 C TYR A 62 21.302 13.151 -34.132 1.00 0.00 C ATOM 873 O TYR A 62 22.398 13.479 -34.588 1.00 0.00 O ATOM 874 CB TYR A 62 21.232 13.717 -31.697 1.00 0.00 C ATOM 875 CG TYR A 62 20.174 14.776 -31.910 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.872 14.586 -31.465 1.00 0.00 C ATOM 877 CD2 TYR A 62 20.477 15.966 -32.561 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.901 15.551 -31.662 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.513 16.935 -32.762 1.00 0.00 C ATOM 880 CZ TYR A 62 18.227 16.723 -32.311 1.00 0.00 C ATOM 881 OH TYR A 62 17.264 17.686 -32.510 1.00 0.00 O ATOM 0 H TYR A 62 23.139 11.852 -32.853 1.00 0.00 H new ATOM 0 HA TYR A 62 20.218 12.073 -32.638 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.118 13.297 -30.697 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.216 14.185 -31.736 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.613 13.669 -30.956 1.00 0.00 H new ATOM 0 HD2 TYR A 62 21.483 16.136 -32.916 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.893 15.387 -31.310 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.765 17.854 -33.270 1.00 0.00 H new ATOM 0 HH TYR A 62 16.606 17.645 -31.785 1.00 0.00 H new ATOM 891 N ASN A 63 20.171 13.264 -34.818 1.00 0.00 N ATOM 892 CA ASN A 63 20.152 13.792 -36.178 1.00 0.00 C ATOM 893 C ASN A 63 20.772 12.799 -37.158 1.00 0.00 C ATOM 894 O ASN A 63 20.913 13.093 -38.345 1.00 0.00 O ATOM 895 CB ASN A 63 20.901 15.124 -36.241 1.00 0.00 C ATOM 896 CG ASN A 63 19.984 16.288 -36.554 1.00 0.00 C ATOM 897 OD1 ASN A 63 19.142 16.206 -37.449 1.00 0.00 O ATOM 898 ND2 ASN A 63 20.142 17.381 -35.818 1.00 0.00 N ATOM 0 H ASN A 63 19.255 12.998 -34.456 1.00 0.00 H new ATOM 0 HA ASN A 63 19.112 13.954 -36.463 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.399 15.303 -35.288 1.00 0.00 H new ATOM 0 HB3 ASN A 63 21.680 15.064 -37.001 1.00 0.00 H new ATOM 0 HD21 ASN A 63 19.553 18.197 -35.984 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.853 17.405 -35.087 1.00 0.00 H new ATOM 905 N GLY A 64 21.139 11.625 -36.655 1.00 0.00 N ATOM 906 CA GLY A 64 21.739 10.611 -37.502 1.00 0.00 C ATOM 907 C GLY A 64 23.229 10.470 -37.268 1.00 0.00 C ATOM 908 O GLY A 64 23.844 9.496 -37.705 1.00 0.00 O ATOM 0 H GLY A 64 21.032 11.358 -35.676 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.253 9.653 -37.317 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.560 10.863 -38.547 1.00 0.00 H new ATOM 912 N ARG A 65 23.812 11.444 -36.577 1.00 0.00 N ATOM 913 CA ARG A 65 25.238 11.426 -36.284 1.00 0.00 C ATOM 914 C ARG A 65 25.483 11.061 -34.823 1.00 0.00 C ATOM 915 O ARG A 65 24.590 10.555 -34.144 1.00 0.00 O ATOM 916 CB ARG A 65 25.863 12.786 -36.602 1.00 0.00 C ATOM 917 CG ARG A 65 25.287 13.929 -35.783 1.00 0.00 C ATOM 918 CD ARG A 65 24.867 15.092 -36.664 1.00 0.00 C ATOM 919 NE ARG A 65 24.246 14.636 -37.901 1.00 0.00 N ATOM 920 CZ ARG A 65 24.004 15.426 -38.943 1.00 0.00 C ATOM 921 NH1 ARG A 65 24.333 16.711 -38.895 1.00 0.00 N ATOM 922 NH2 ARG A 65 23.434 14.933 -40.033 1.00 0.00 N ATOM 0 H ARG A 65 23.317 12.256 -36.210 1.00 0.00 H new ATOM 0 HA ARG A 65 25.708 10.669 -36.912 1.00 0.00 H new ATOM 0 HB2 ARG A 65 26.938 12.732 -36.428 1.00 0.00 H new ATOM 0 HB3 ARG A 65 25.722 13.002 -37.661 1.00 0.00 H new ATOM 0 HG2 ARG A 65 24.427 13.573 -35.215 1.00 0.00 H new ATOM 0 HG3 ARG A 65 26.028 14.269 -35.060 1.00 0.00 H new ATOM 0 HD2 ARG A 65 24.169 15.727 -36.119 1.00 0.00 H new ATOM 0 HD3 ARG A 65 25.738 15.704 -36.898 1.00 0.00 H new ATOM 0 HE ARG A 65 23.982 13.653 -37.972 1.00 0.00 H new ATOM 0 HH11 ARG A 65 24.772 17.094 -38.058 1.00 0.00 H new ATOM 0 HH12 ARG A 65 24.147 17.315 -39.695 1.00 0.00 H new ATOM 0 HH21 ARG A 65 23.180 13.946 -40.074 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.249 15.541 -40.831 1.00 0.00 H new ATOM 936 N THR A 66 26.696 11.315 -34.344 1.00 0.00 N ATOM 937 CA THR A 66 27.047 11.003 -32.964 1.00 0.00 C ATOM 938 C THR A 66 27.794 12.157 -32.304 1.00 0.00 C ATOM 939 O THR A 66 28.530 12.893 -32.962 1.00 0.00 O ATOM 940 CB THR A 66 27.913 9.733 -32.880 1.00 0.00 C ATOM 941 OG1 THR A 66 27.265 8.653 -33.563 1.00 0.00 O ATOM 942 CG2 THR A 66 28.164 9.344 -31.431 1.00 0.00 C ATOM 0 H THR A 66 27.450 11.734 -34.889 1.00 0.00 H new ATOM 0 HA THR A 66 26.110 10.835 -32.434 1.00 0.00 H new ATOM 0 HB THR A 66 28.872 9.941 -33.355 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.822 7.849 -33.507 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.778 8.444 -31.397 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.682 10.156 -30.921 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.212 9.153 -30.935 1.00 0.00 H new ATOM 950 N PHE A 67 27.601 12.305 -30.999 1.00 0.00 N ATOM 951 CA PHE A 67 28.256 13.364 -30.241 1.00 0.00 C ATOM 952 C PHE A 67 28.739 12.842 -28.893 1.00 0.00 C ATOM 953 O PHE A 67 27.953 12.315 -28.104 1.00 0.00 O ATOM 954 CB PHE A 67 27.302 14.542 -30.034 1.00 0.00 C ATOM 955 CG PHE A 67 26.412 14.811 -31.213 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.357 13.964 -31.507 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.632 15.910 -32.027 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.536 14.208 -32.592 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.816 16.159 -33.114 1.00 0.00 C ATOM 960 CZ PHE A 67 24.767 15.307 -33.396 1.00 0.00 C ATOM 0 H PHE A 67 26.994 11.703 -30.442 1.00 0.00 H new ATOM 0 HA PHE A 67 29.119 13.705 -30.812 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.682 14.347 -29.159 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.885 15.437 -29.818 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.173 13.103 -30.882 1.00 0.00 H new ATOM 0 HD2 PHE A 67 27.451 16.580 -31.810 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.716 13.541 -32.811 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.999 17.019 -33.742 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.127 15.500 -34.245 1.00 0.00 H new ATOM 970 N TYR A 68 30.035 12.991 -28.636 1.00 0.00 N ATOM 971 CA TYR A 68 30.627 12.536 -27.385 1.00 0.00 C ATOM 972 C TYR A 68 30.570 13.637 -26.331 1.00 0.00 C ATOM 973 O TYR A 68 31.344 13.637 -25.374 1.00 0.00 O ATOM 974 CB TYR A 68 32.077 12.109 -27.619 1.00 0.00 C ATOM 975 CG TYR A 68 32.228 10.967 -28.602 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.822 11.099 -29.924 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.784 9.758 -28.205 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.962 10.056 -30.821 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.928 8.713 -29.094 1.00 0.00 C ATOM 980 CZ TYR A 68 32.517 8.866 -30.401 1.00 0.00 C ATOM 981 OH TYR A 68 32.658 7.825 -31.290 1.00 0.00 O ATOM 0 H TYR A 68 30.696 13.425 -29.280 1.00 0.00 H new ATOM 0 HA TYR A 68 30.056 11.681 -27.022 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.644 12.966 -27.983 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.518 11.816 -26.666 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.390 12.031 -30.257 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.109 9.634 -27.183 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.638 10.173 -31.845 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.361 7.779 -28.767 1.00 0.00 H new ATOM 0 HH TYR A 68 33.067 7.059 -30.835 1.00 0.00 H new ATOM 991 N SER A 69 29.646 14.577 -26.518 1.00 0.00 N ATOM 992 CA SER A 69 29.482 15.692 -25.593 1.00 0.00 C ATOM 993 C SER A 69 28.320 16.580 -26.024 1.00 0.00 C ATOM 994 O SER A 69 27.613 16.269 -26.983 1.00 0.00 O ATOM 995 CB SER A 69 30.769 16.516 -25.523 1.00 0.00 C ATOM 996 OG SER A 69 31.757 15.995 -26.395 1.00 0.00 O ATOM 0 H SER A 69 28.998 14.587 -27.306 1.00 0.00 H new ATOM 0 HA SER A 69 29.265 15.288 -24.604 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.556 17.552 -25.787 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.147 16.519 -24.501 1.00 0.00 H new ATOM 0 HG SER A 69 32.569 16.540 -26.332 1.00 0.00 H new ATOM 1002 N CYS A 70 28.130 17.690 -25.317 1.00 0.00 N ATOM 1003 CA CYS A 70 27.057 18.622 -25.638 1.00 0.00 C ATOM 1004 C CYS A 70 27.173 19.088 -27.086 1.00 0.00 C ATOM 1005 O CYS A 70 28.199 18.876 -27.733 1.00 0.00 O ATOM 1006 CB CYS A 70 27.094 19.822 -24.692 1.00 0.00 C ATOM 1007 SG CYS A 70 26.231 19.546 -23.109 1.00 0.00 S ATOM 0 H CYS A 70 28.704 17.965 -24.520 1.00 0.00 H new ATOM 0 HA CYS A 70 26.104 18.108 -25.513 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.133 20.078 -24.487 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.647 20.680 -25.193 1.00 0.00 H new ATOM 1012 N THR A 71 26.119 19.716 -27.597 1.00 0.00 N ATOM 1013 CA THR A 71 26.120 20.199 -28.974 1.00 0.00 C ATOM 1014 C THR A 71 24.973 21.170 -29.230 1.00 0.00 C ATOM 1015 O THR A 71 24.167 21.448 -28.342 1.00 0.00 O ATOM 1016 CB THR A 71 26.013 19.033 -29.974 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.954 19.541 -31.312 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.777 18.191 -29.691 1.00 0.00 C ATOM 0 H THR A 71 25.258 19.902 -27.082 1.00 0.00 H new ATOM 0 HA THR A 71 27.067 20.719 -29.119 1.00 0.00 H new ATOM 0 HB THR A 71 26.896 18.404 -29.863 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.888 18.794 -31.943 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.722 17.373 -30.409 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.837 17.784 -28.682 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.886 18.812 -29.779 1.00 0.00 H new ATOM 1026 N THR A 72 24.909 21.683 -30.456 1.00 0.00 N ATOM 1027 CA THR A 72 23.863 22.624 -30.842 1.00 0.00 C ATOM 1028 C THR A 72 23.312 22.290 -32.224 1.00 0.00 C ATOM 1029 O THR A 72 23.240 23.153 -33.098 1.00 0.00 O ATOM 1030 CB THR A 72 24.382 24.074 -30.848 1.00 0.00 C ATOM 1031 OG1 THR A 72 25.730 24.111 -31.333 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.325 24.674 -29.452 1.00 0.00 C ATOM 0 H THR A 72 25.571 21.462 -31.200 1.00 0.00 H new ATOM 0 HA THR A 72 23.068 22.535 -30.101 1.00 0.00 H new ATOM 0 HB THR A 72 23.743 24.662 -31.507 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.052 25.037 -31.335 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.696 25.698 -29.481 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.295 24.672 -29.097 1.00 0.00 H new ATOM 0 HG23 THR A 72 24.943 24.083 -28.776 1.00 0.00 H new ATOM 1040 N GLU A 73 22.930 21.032 -32.416 1.00 0.00 N ATOM 1041 CA GLU A 73 22.390 20.585 -33.695 1.00 0.00 C ATOM 1042 C GLU A 73 20.884 20.355 -33.607 1.00 0.00 C ATOM 1043 O GLU A 73 20.273 19.826 -34.535 1.00 0.00 O ATOM 1044 CB GLU A 73 23.086 19.299 -34.140 1.00 0.00 C ATOM 1045 CG GLU A 73 24.191 19.530 -35.156 1.00 0.00 C ATOM 1046 CD GLU A 73 23.656 19.939 -36.514 1.00 0.00 C ATOM 1047 OE1 GLU A 73 23.177 21.085 -36.641 1.00 0.00 O ATOM 1048 OE2 GLU A 73 23.714 19.113 -37.449 1.00 0.00 O ATOM 0 H GLU A 73 22.984 20.304 -31.703 1.00 0.00 H new ATOM 0 HA GLU A 73 22.574 21.368 -34.430 1.00 0.00 H new ATOM 0 HB2 GLU A 73 23.505 18.801 -33.266 1.00 0.00 H new ATOM 0 HB3 GLU A 73 22.345 18.623 -34.568 1.00 0.00 H new ATOM 0 HG2 GLU A 73 24.864 20.304 -34.786 1.00 0.00 H new ATOM 0 HG3 GLU A 73 24.780 18.619 -35.261 1.00 0.00 H new ATOM 1055 N GLY A 74 20.292 20.756 -32.489 1.00 0.00 N ATOM 1056 CA GLY A 74 18.864 20.583 -32.303 1.00 0.00 C ATOM 1057 C GLY A 74 18.142 21.898 -32.082 1.00 0.00 C ATOM 1058 O GLY A 74 16.926 21.922 -31.892 1.00 0.00 O ATOM 0 H GLY A 74 20.775 21.198 -31.707 1.00 0.00 H new ATOM 0 HA2 GLY A 74 18.445 20.085 -33.177 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.689 19.929 -31.449 1.00 0.00 H new ATOM 1122 N HIS A 79 22.678 27.218 -28.325 1.00 0.00 N ATOM 1123 CA HIS A 79 22.897 26.760 -26.957 1.00 0.00 C ATOM 1124 C HIS A 79 23.252 25.279 -26.933 1.00 0.00 C ATOM 1125 O HIS A 79 22.566 24.456 -27.541 1.00 0.00 O ATOM 1126 CB HIS A 79 21.659 27.007 -26.093 1.00 0.00 C ATOM 1127 CG HIS A 79 20.543 27.701 -26.812 1.00 0.00 C ATOM 1128 ND1 HIS A 79 19.840 27.121 -27.847 1.00 0.00 N ATOM 1129 CD2 HIS A 79 20.001 28.930 -26.634 1.00 0.00 C ATOM 1130 CE1 HIS A 79 18.916 27.963 -28.275 1.00 0.00 C ATOM 1131 NE2 HIS A 79 18.993 29.066 -27.555 1.00 0.00 N ATOM 0 HA HIS A 79 23.731 27.330 -26.547 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.295 26.051 -25.715 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.946 27.603 -25.227 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.305 29.665 -25.904 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.217 27.780 -29.077 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.399 29.888 -27.665 1.00 0.00 H new ATOM 1140 N LEU A 80 24.326 24.945 -26.228 1.00 0.00 N ATOM 1141 CA LEU A 80 24.769 23.560 -26.125 1.00 0.00 C ATOM 1142 C LEU A 80 23.790 22.742 -25.294 1.00 0.00 C ATOM 1143 O LEU A 80 23.187 23.251 -24.350 1.00 0.00 O ATOM 1144 CB LEU A 80 26.167 23.493 -25.505 1.00 0.00 C ATOM 1145 CG LEU A 80 27.328 23.664 -26.487 1.00 0.00 C ATOM 1146 CD1 LEU A 80 26.905 24.514 -27.674 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.528 24.284 -25.785 1.00 0.00 C ATOM 0 H LEU A 80 24.906 25.613 -25.720 1.00 0.00 H new ATOM 0 HA LEU A 80 24.807 23.139 -27.130 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.244 24.265 -24.739 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.277 22.533 -25.002 1.00 0.00 H new ATOM 0 HG LEU A 80 27.614 22.680 -26.858 1.00 0.00 H new ATOM 0 HD11 LEU A 80 27.745 24.624 -28.360 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.075 24.031 -28.190 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.592 25.498 -27.324 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.346 24.399 -26.496 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.252 25.261 -25.387 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.846 23.636 -24.968 1.00 0.00 H new ATOM 1159 N TRP A 81 23.630 21.475 -25.654 1.00 0.00 N ATOM 1160 CA TRP A 81 22.718 20.592 -24.940 1.00 0.00 C ATOM 1161 C TRP A 81 23.210 19.150 -24.969 1.00 0.00 C ATOM 1162 O TRP A 81 24.129 18.806 -25.712 1.00 0.00 O ATOM 1163 CB TRP A 81 21.318 20.670 -25.552 1.00 0.00 C ATOM 1164 CG TRP A 81 21.289 20.304 -27.003 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.584 21.117 -28.056 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.949 19.029 -27.561 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.449 20.429 -29.237 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.059 19.144 -28.959 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.562 17.802 -27.015 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.798 18.079 -29.818 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.302 16.745 -27.868 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.421 16.890 -29.256 1.00 0.00 C ATOM 0 H TRP A 81 24.119 21.037 -26.435 1.00 0.00 H new ATOM 0 HA TRP A 81 22.679 20.922 -23.902 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.651 20.006 -25.003 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.931 21.682 -25.431 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.881 22.152 -27.974 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.612 20.811 -30.168 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.468 17.681 -25.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.890 18.188 -30.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.002 15.792 -27.457 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.211 16.046 -29.896 1.00 0.00 H new ATOM 1183 N CYS A 82 22.580 18.313 -24.156 1.00 0.00 N ATOM 1184 CA CYS A 82 22.928 16.901 -24.075 1.00 0.00 C ATOM 1185 C CYS A 82 21.725 16.090 -23.605 1.00 0.00 C ATOM 1186 O CYS A 82 20.848 16.612 -22.923 1.00 0.00 O ATOM 1187 CB CYS A 82 24.108 16.695 -23.124 1.00 0.00 C ATOM 1188 SG CYS A 82 23.730 17.054 -21.378 1.00 0.00 S ATOM 0 H CYS A 82 21.818 18.591 -23.538 1.00 0.00 H new ATOM 0 HA CYS A 82 23.219 16.557 -25.068 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.450 15.663 -23.205 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.933 17.331 -23.444 1.00 0.00 H new ATOM 1193 N SER A 83 21.682 14.817 -23.976 1.00 0.00 N ATOM 1194 CA SER A 83 20.570 13.956 -23.589 1.00 0.00 C ATOM 1195 C SER A 83 20.792 13.373 -22.200 1.00 0.00 C ATOM 1196 O SER A 83 21.891 12.936 -21.866 1.00 0.00 O ATOM 1197 CB SER A 83 20.381 12.830 -24.607 1.00 0.00 C ATOM 1198 OG SER A 83 19.217 12.076 -24.316 1.00 0.00 O ATOM 0 H SER A 83 22.398 14.360 -24.540 1.00 0.00 H new ATOM 0 HA SER A 83 19.666 14.565 -23.568 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.306 13.250 -25.610 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.254 12.177 -24.599 1.00 0.00 H new ATOM 0 HG SER A 83 19.407 11.122 -24.436 1.00 0.00 H new ATOM 1204 N THR A 84 19.736 13.371 -21.393 1.00 0.00 N ATOM 1205 CA THR A 84 19.816 12.841 -20.041 1.00 0.00 C ATOM 1206 C THR A 84 19.828 11.316 -20.056 1.00 0.00 C ATOM 1207 O THR A 84 20.222 10.678 -19.080 1.00 0.00 O ATOM 1208 CB THR A 84 18.642 13.337 -19.177 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.412 13.184 -19.891 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.833 14.799 -18.798 1.00 0.00 C ATOM 0 H THR A 84 18.817 13.730 -21.653 1.00 0.00 H new ATOM 0 HA THR A 84 20.748 13.202 -19.606 1.00 0.00 H new ATOM 0 HB THR A 84 18.610 12.740 -18.265 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.735 13.781 -19.509 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.992 15.129 -18.188 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.758 14.910 -18.232 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.885 15.405 -19.702 1.00 0.00 H new ATOM 1218 N THR A 85 19.405 10.741 -21.177 1.00 0.00 N ATOM 1219 CA THR A 85 19.377 9.292 -21.333 1.00 0.00 C ATOM 1220 C THR A 85 19.456 8.905 -22.812 1.00 0.00 C ATOM 1221 O THR A 85 19.216 9.733 -23.691 1.00 0.00 O ATOM 1222 CB THR A 85 18.127 8.672 -20.663 1.00 0.00 C ATOM 1223 OG1 THR A 85 18.468 7.410 -20.077 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.978 8.477 -21.646 1.00 0.00 C ATOM 0 H THR A 85 19.076 11.258 -21.992 1.00 0.00 H new ATOM 0 HA THR A 85 20.253 8.887 -20.826 1.00 0.00 H new ATOM 0 HB THR A 85 17.792 9.370 -19.896 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.675 7.021 -19.652 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.125 8.039 -21.127 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.691 9.441 -22.066 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.295 7.811 -22.449 1.00 0.00 H new ATOM 1232 N SER A 86 19.806 7.653 -23.079 1.00 0.00 N ATOM 1233 CA SER A 86 19.933 7.169 -24.452 1.00 0.00 C ATOM 1234 C SER A 86 18.599 7.234 -25.182 1.00 0.00 C ATOM 1235 O SER A 86 18.550 7.314 -26.410 1.00 0.00 O ATOM 1236 CB SER A 86 20.458 5.731 -24.463 1.00 0.00 C ATOM 1237 OG SER A 86 21.570 5.602 -25.330 1.00 0.00 O ATOM 0 H SER A 86 20.007 6.953 -22.365 1.00 0.00 H new ATOM 0 HA SER A 86 20.642 7.815 -24.969 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.744 5.437 -23.453 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.665 5.053 -24.780 1.00 0.00 H new ATOM 0 HG SER A 86 21.888 4.675 -25.318 1.00 0.00 H new ATOM 1243 N ASN A 87 17.520 7.189 -24.415 1.00 0.00 N ATOM 1244 CA ASN A 87 16.176 7.232 -24.973 1.00 0.00 C ATOM 1245 C ASN A 87 15.755 8.658 -25.316 1.00 0.00 C ATOM 1246 O ASN A 87 14.721 9.136 -24.853 1.00 0.00 O ATOM 1247 CB ASN A 87 15.184 6.616 -23.984 1.00 0.00 C ATOM 1248 CG ASN A 87 13.749 6.673 -24.471 1.00 0.00 C ATOM 1249 OD1 ASN A 87 13.440 7.339 -25.455 1.00 0.00 O ATOM 1250 ND2 ASN A 87 12.862 5.969 -23.776 1.00 0.00 N ATOM 0 H ASN A 87 17.550 7.122 -23.398 1.00 0.00 H new ATOM 0 HA ASN A 87 16.177 6.655 -25.898 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.459 5.577 -23.802 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.259 7.138 -23.030 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.881 5.968 -24.054 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.162 5.429 -22.964 1.00 0.00 H new ATOM 1257 N TYR A 88 16.552 9.337 -26.135 1.00 0.00 N ATOM 1258 CA TYR A 88 16.224 10.699 -26.533 1.00 0.00 C ATOM 1259 C TYR A 88 15.271 10.692 -27.723 1.00 0.00 C ATOM 1260 O TYR A 88 14.468 11.609 -27.894 1.00 0.00 O ATOM 1261 CB TYR A 88 17.482 11.486 -26.894 1.00 0.00 C ATOM 1262 CG TYR A 88 17.173 12.859 -27.445 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.544 13.006 -28.675 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.493 14.006 -26.732 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.244 14.256 -29.178 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.198 15.260 -27.230 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.573 15.380 -28.452 1.00 0.00 C ATOM 1268 OH TYR A 88 16.276 16.627 -28.950 1.00 0.00 O ATOM 0 H TYR A 88 17.418 8.972 -26.531 1.00 0.00 H new ATOM 0 HA TYR A 88 15.740 11.183 -25.685 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.109 11.587 -26.008 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.058 10.925 -27.630 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.285 12.127 -29.247 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.980 13.917 -25.772 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.754 14.353 -30.136 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.456 16.143 -26.664 1.00 0.00 H new ATOM 0 HH TYR A 88 16.637 16.712 -29.857 1.00 0.00 H new ATOM 1278 N GLU A 89 15.374 9.655 -28.548 1.00 0.00 N ATOM 1279 CA GLU A 89 14.531 9.529 -29.731 1.00 0.00 C ATOM 1280 C GLU A 89 13.116 9.112 -29.353 1.00 0.00 C ATOM 1281 O GLU A 89 12.191 9.218 -30.159 1.00 0.00 O ATOM 1282 CB GLU A 89 15.131 8.511 -30.702 1.00 0.00 C ATOM 1283 CG GLU A 89 16.541 8.855 -31.152 1.00 0.00 C ATOM 1284 CD GLU A 89 17.353 7.629 -31.517 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.889 6.504 -31.237 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.454 7.792 -32.085 1.00 0.00 O ATOM 0 H GLU A 89 16.034 8.888 -28.418 1.00 0.00 H new ATOM 0 HA GLU A 89 14.484 10.504 -30.216 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.140 7.530 -30.227 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.488 8.435 -31.579 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.491 9.522 -32.013 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.050 9.399 -30.356 1.00 0.00 H new ATOM 1293 N GLN A 90 12.952 8.635 -28.125 1.00 0.00 N ATOM 1294 CA GLN A 90 11.647 8.199 -27.645 1.00 0.00 C ATOM 1295 C GLN A 90 11.190 9.058 -26.474 1.00 0.00 C ATOM 1296 O GLN A 90 9.996 9.293 -26.290 1.00 0.00 O ATOM 1297 CB GLN A 90 11.698 6.728 -27.232 1.00 0.00 C ATOM 1298 CG GLN A 90 12.998 6.037 -27.611 1.00 0.00 C ATOM 1299 CD GLN A 90 13.236 4.768 -26.817 1.00 0.00 C ATOM 1300 OE1 GLN A 90 14.244 4.635 -26.124 1.00 0.00 O ATOM 1301 NE2 GLN A 90 12.305 3.825 -26.915 1.00 0.00 N ATOM 0 H GLN A 90 13.706 8.540 -27.444 1.00 0.00 H new ATOM 0 HA GLN A 90 10.928 8.312 -28.457 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.559 6.657 -26.153 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.866 6.199 -27.697 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.982 5.798 -28.674 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.830 6.723 -27.451 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.485 3.977 -27.501 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.411 2.949 -26.404 1.00 0.00 H new ATOM 1310 N ASP A 91 12.150 9.529 -25.687 1.00 0.00 N ATOM 1311 CA ASP A 91 11.850 10.368 -24.536 1.00 0.00 C ATOM 1312 C ASP A 91 11.907 11.843 -24.918 1.00 0.00 C ATOM 1313 O ASP A 91 11.017 12.619 -24.573 1.00 0.00 O ATOM 1314 CB ASP A 91 12.829 10.081 -23.396 1.00 0.00 C ATOM 1315 CG ASP A 91 12.231 10.369 -22.034 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.517 11.386 -21.903 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.478 9.581 -21.098 1.00 0.00 O ATOM 0 H ASP A 91 13.143 9.343 -25.826 1.00 0.00 H new ATOM 0 HA ASP A 91 10.840 10.136 -24.198 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.138 9.037 -23.441 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.726 10.685 -23.531 1.00 0.00 H new ATOM 1322 N GLN A 92 12.961 12.225 -25.637 1.00 0.00 N ATOM 1323 CA GLN A 92 13.127 13.607 -26.069 1.00 0.00 C ATOM 1324 C GLN A 92 13.437 14.511 -24.882 1.00 0.00 C ATOM 1325 O GLN A 92 12.959 15.643 -24.809 1.00 0.00 O ATOM 1326 CB GLN A 92 11.866 14.095 -26.784 1.00 0.00 C ATOM 1327 CG GLN A 92 12.146 14.795 -28.104 1.00 0.00 C ATOM 1328 CD GLN A 92 11.297 14.259 -29.241 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.201 14.756 -29.499 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.800 13.239 -29.927 1.00 0.00 N ATOM 0 H GLN A 92 13.709 11.597 -25.931 1.00 0.00 H new ATOM 0 HA GLN A 92 13.966 13.648 -26.763 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.209 13.244 -26.966 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.328 14.778 -26.127 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.962 15.863 -27.991 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.200 14.678 -28.356 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.713 12.858 -29.679 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.273 12.837 -30.702 1.00 0.00 H new ATOM 1339 N LYS A 93 14.242 14.003 -23.955 1.00 0.00 N ATOM 1340 CA LYS A 93 14.619 14.763 -22.770 1.00 0.00 C ATOM 1341 C LYS A 93 16.117 15.054 -22.773 1.00 0.00 C ATOM 1342 O LYS A 93 16.938 14.136 -22.805 1.00 0.00 O ATOM 1343 CB LYS A 93 14.231 14.003 -21.499 1.00 0.00 C ATOM 1344 CG LYS A 93 14.011 12.513 -21.708 1.00 0.00 C ATOM 1345 CD LYS A 93 15.312 11.736 -21.591 1.00 0.00 C ATOM 1346 CE LYS A 93 15.612 11.373 -20.145 1.00 0.00 C ATOM 1347 NZ LYS A 93 14.643 10.378 -19.607 1.00 0.00 N ATOM 0 H LYS A 93 14.646 13.068 -24.002 1.00 0.00 H new ATOM 0 HA LYS A 93 14.081 15.711 -22.787 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.013 14.142 -20.752 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.319 14.440 -21.091 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.297 12.143 -20.972 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.572 12.343 -22.691 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.251 10.828 -22.191 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.131 12.331 -21.996 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.622 10.970 -20.075 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.585 12.274 -19.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.042 10.831 -18.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.048 10.020 -20.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.162 9.587 -19.175 1.00 0.00 H new ATOM 1361 N TYR A 94 16.466 16.336 -22.754 1.00 0.00 N ATOM 1362 CA TYR A 94 17.865 16.742 -22.771 1.00 0.00 C ATOM 1363 C TYR A 94 18.129 17.907 -21.823 1.00 0.00 C ATOM 1364 O TYR A 94 17.203 18.501 -21.271 1.00 0.00 O ATOM 1365 CB TYR A 94 18.272 17.138 -24.192 1.00 0.00 C ATOM 1366 CG TYR A 94 17.682 18.457 -24.642 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.082 19.655 -24.061 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.726 18.503 -25.649 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.543 20.861 -24.471 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.183 19.704 -26.064 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.596 20.880 -25.472 1.00 0.00 C ATOM 1372 OH TYR A 94 16.058 22.078 -25.884 1.00 0.00 O ATOM 0 H TYR A 94 15.801 17.109 -22.727 1.00 0.00 H new ATOM 0 HA TYR A 94 18.460 15.893 -22.434 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.359 17.197 -24.247 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.960 16.355 -24.883 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.825 19.644 -23.277 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.402 17.584 -26.115 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.863 21.783 -24.009 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.440 19.722 -26.847 1.00 0.00 H new ATOM 0 HH TYR A 94 16.526 22.816 -25.441 1.00 0.00 H new ATOM 1382 N SER A 95 19.406 18.231 -21.656 1.00 0.00 N ATOM 1383 CA SER A 95 19.824 19.329 -20.796 1.00 0.00 C ATOM 1384 C SER A 95 20.727 20.281 -21.571 1.00 0.00 C ATOM 1385 O SER A 95 21.426 19.869 -22.497 1.00 0.00 O ATOM 1386 CB SER A 95 20.559 18.793 -19.566 1.00 0.00 C ATOM 1387 OG SER A 95 21.017 17.469 -19.781 1.00 0.00 O ATOM 0 H SER A 95 20.177 17.742 -22.111 1.00 0.00 H new ATOM 0 HA SER A 95 18.938 19.870 -20.463 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.405 19.440 -19.333 1.00 0.00 H new ATOM 0 HB3 SER A 95 19.894 18.815 -18.703 1.00 0.00 H new ATOM 0 HG SER A 95 21.849 17.491 -20.298 1.00 0.00 H new ATOM 1393 N PHE A 96 20.706 21.554 -21.201 1.00 0.00 N ATOM 1394 CA PHE A 96 21.523 22.552 -21.882 1.00 0.00 C ATOM 1395 C PHE A 96 22.972 22.489 -21.420 1.00 0.00 C ATOM 1396 O PHE A 96 23.328 21.685 -20.560 1.00 0.00 O ATOM 1397 CB PHE A 96 20.955 23.952 -21.654 1.00 0.00 C ATOM 1398 CG PHE A 96 19.808 24.274 -22.567 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.897 24.014 -23.925 1.00 0.00 C ATOM 1400 CD2 PHE A 96 18.640 24.830 -22.068 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.843 24.299 -24.770 1.00 0.00 C ATOM 1402 CE2 PHE A 96 17.582 25.119 -22.910 1.00 0.00 C ATOM 1403 CZ PHE A 96 17.684 24.853 -24.262 1.00 0.00 C ATOM 0 H PHE A 96 20.136 21.920 -20.438 1.00 0.00 H new ATOM 0 HA PHE A 96 21.500 22.331 -22.949 1.00 0.00 H new ATOM 0 HB2 PHE A 96 20.625 24.040 -20.619 1.00 0.00 H new ATOM 0 HB3 PHE A 96 21.746 24.688 -21.800 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.802 23.583 -24.327 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.556 25.039 -21.012 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.924 24.089 -25.826 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.677 25.552 -22.511 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.858 25.078 -24.921 1.00 0.00 H new ATOM 1413 N CYS A 97 23.806 23.339 -22.008 1.00 0.00 N ATOM 1414 CA CYS A 97 25.222 23.381 -21.671 1.00 0.00 C ATOM 1415 C CYS A 97 25.737 24.816 -21.670 1.00 0.00 C ATOM 1416 O CYS A 97 25.634 25.524 -22.671 1.00 0.00 O ATOM 1417 CB CYS A 97 26.025 22.542 -22.668 1.00 0.00 C ATOM 1418 SG CYS A 97 26.842 21.087 -21.936 1.00 0.00 S ATOM 0 H CYS A 97 23.524 24.010 -22.723 1.00 0.00 H new ATOM 0 HA CYS A 97 25.347 22.968 -20.670 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.359 22.208 -23.464 1.00 0.00 H new ATOM 0 HB3 CYS A 97 26.782 23.175 -23.131 1.00 0.00 H new ATOM 1423 N THR A 98 26.295 25.238 -20.541 1.00 0.00 N ATOM 1424 CA THR A 98 26.827 26.585 -20.414 1.00 0.00 C ATOM 1425 C THR A 98 27.659 26.963 -21.636 1.00 0.00 C ATOM 1426 O THR A 98 28.409 26.143 -22.165 1.00 0.00 O ATOM 1427 CB THR A 98 27.693 26.720 -19.150 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.362 25.482 -18.881 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.843 27.114 -17.952 1.00 0.00 C ATOM 0 H THR A 98 26.390 24.665 -19.702 1.00 0.00 H new ATOM 0 HA THR A 98 25.976 27.262 -20.338 1.00 0.00 H new ATOM 0 HB THR A 98 28.432 27.502 -19.323 1.00 0.00 H new ATOM 0 HG1 THR A 98 28.875 25.561 -18.050 1.00 0.00 H new ATOM 0 HG21 THR A 98 27.477 27.204 -17.070 1.00 0.00 H new ATOM 0 HG22 THR A 98 26.358 28.070 -18.149 1.00 0.00 H new ATOM 0 HG23 THR A 98 26.084 26.351 -17.778 1.00 0.00 H new