USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 555 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 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0.0677 USER MOD Set 2.1: A 5 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 23:sc= 1.25 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 4 HIS : no HE2:sc= 0.00574 K(o=0.0057,f=-0.54) USER MOD Single : A 0 SER OG : rot 180:sc= -0.0701 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.485 F(o=-1,f=-0.49) USER MOD Single : A -1 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A -1 GLN N :NH3+ -165:sc= -0.0264 (180deg=-0.292) USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0247 (180deg=-0.267) USER MOD Single : A 16 SER OG : rot -152:sc= 0.296 USER MOD Single : A 19 SER OG : rot -134:sc= 0.798 USER MOD Single : A 20 SER OG : rot -78:sc= 1.04 USER MOD Single : A 21 MET CE :methyl 162:sc= -0.146 (180deg=-0.562) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 31 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 33 THR OG1 : rot 13:sc= 0.703 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 38 ASN : amide:sc=-0.00275 X(o=-0.0028,f=0) USER MOD Single : A 40 MET CE :methyl -159:sc= -0.0865 (180deg=-0.564) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -145:sc= -0.089 (180deg=-0.517) USER MOD Single : A 46 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 50 HIS : no HE2:sc= -0.0838 X(o=-0.084,f=-0.06) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 59 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.059) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.331 F(o=-1.2,f=-0.33) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= 0.0346 X(o=0.035,f=-0.38) USER MOD Single : A 72 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -1 -7.276 15.993 -2.010 1.00 0.00 N ATOM 2 CA GLN A -1 -6.655 14.872 -1.268 1.00 0.00 C ATOM 3 C GLN A -1 -7.353 13.562 -1.606 1.00 0.00 C ATOM 4 O GLN A -1 -8.544 13.400 -1.343 1.00 0.00 O ATOM 5 CB GLN A -1 -6.727 15.126 0.237 1.00 0.00 C ATOM 6 CG GLN A -1 -5.990 16.377 0.684 1.00 0.00 C ATOM 7 CD GLN A -1 -6.118 16.617 2.176 1.00 0.00 C ATOM 8 OE1 GLN A -1 -7.122 16.259 2.788 1.00 0.00 O ATOM 9 NE2 GLN A -1 -5.098 17.208 2.773 1.00 0.00 N ATOM 0 H1 GLN A -1 -6.649 16.822 -1.975 1.00 0.00 H new ATOM 0 H2 GLN A -1 -7.426 15.713 -3.000 1.00 0.00 H new ATOM 0 H3 GLN A -1 -8.190 16.232 -1.576 1.00 0.00 H new ATOM 0 HA GLN A -1 -5.608 14.801 -1.564 1.00 0.00 H new ATOM 0 HB2 GLN A -1 -7.773 15.207 0.533 1.00 0.00 H new ATOM 0 HB3 GLN A -1 -6.313 14.265 0.762 1.00 0.00 H new ATOM 0 HG2 GLN A -1 -4.936 16.289 0.421 1.00 0.00 H new ATOM 0 HG3 GLN A -1 -6.382 17.239 0.144 1.00 0.00 H new ATOM 0 HE21 GLN A -1 -4.282 17.490 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A -1 -5.126 17.382 3.778 1.00 0.00 H new ATOM 20 N SER A 0 -6.611 12.632 -2.188 1.00 0.00 N ATOM 21 CA SER A 0 -7.165 11.349 -2.590 1.00 0.00 C ATOM 22 C SER A 0 -6.039 10.392 -2.965 1.00 0.00 C ATOM 23 O SER A 0 -4.887 10.805 -3.113 1.00 0.00 O ATOM 24 CB SER A 0 -8.128 11.530 -3.769 1.00 0.00 C ATOM 25 OG SER A 0 -8.801 10.322 -4.073 1.00 0.00 O ATOM 0 H SER A 0 -5.618 12.744 -2.393 1.00 0.00 H new ATOM 0 HA SER A 0 -7.722 10.927 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 0 -8.857 12.305 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 0 -7.575 11.871 -4.644 1.00 0.00 H new ATOM 0 HG SER A 0 -9.409 10.467 -4.827 1.00 0.00 H new ATOM 31 N MET A 1 -6.371 9.128 -3.139 1.00 0.00 N ATOM 32 CA MET A 1 -5.377 8.114 -3.450 1.00 0.00 C ATOM 33 C MET A 1 -5.888 7.182 -4.529 1.00 0.00 C ATOM 34 O MET A 1 -7.091 6.951 -4.654 1.00 0.00 O ATOM 35 CB MET A 1 -5.019 7.311 -2.200 1.00 0.00 C ATOM 36 CG MET A 1 -6.225 6.712 -1.496 1.00 0.00 C ATOM 37 SD MET A 1 -5.780 5.734 -0.050 1.00 0.00 S ATOM 38 CE MET A 1 -7.407 5.321 0.573 1.00 0.00 C ATOM 0 H MET A 1 -7.326 8.775 -3.070 1.00 0.00 H new ATOM 0 HA MET A 1 -4.482 8.618 -3.814 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.335 6.509 -2.477 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.486 7.958 -1.503 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.898 7.514 -1.193 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.774 6.084 -2.198 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.309 4.713 1.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.949 6.236 0.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.955 4.761 -0.185 1.00 0.00 H new ATOM 48 N ALA A 2 -4.958 6.652 -5.300 1.00 0.00 N ATOM 49 CA ALA A 2 -5.289 5.751 -6.389 1.00 0.00 C ATOM 50 C ALA A 2 -5.101 4.311 -5.960 1.00 0.00 C ATOM 51 O ALA A 2 -6.045 3.526 -5.918 1.00 0.00 O ATOM 52 CB ALA A 2 -4.428 6.061 -7.606 1.00 0.00 C ATOM 0 H ALA A 2 -3.960 6.831 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.336 5.896 -6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.685 5.379 -8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.606 7.088 -7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.376 5.938 -7.348 1.00 0.00 H new ATOM 58 N LEU A 3 -3.865 3.990 -5.637 1.00 0.00 N ATOM 59 CA LEU A 3 -3.495 2.660 -5.176 1.00 0.00 C ATOM 60 C LEU A 3 -2.782 2.773 -3.849 1.00 0.00 C ATOM 61 O LEU A 3 -2.212 3.817 -3.534 1.00 0.00 O ATOM 62 CB LEU A 3 -2.586 1.932 -6.180 1.00 0.00 C ATOM 63 CG LEU A 3 -3.240 1.511 -7.498 1.00 0.00 C ATOM 64 CD1 LEU A 3 -3.503 2.714 -8.378 1.00 0.00 C ATOM 65 CD2 LEU A 3 -2.364 0.504 -8.221 1.00 0.00 C ATOM 0 H LEU A 3 -3.083 4.644 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.410 2.077 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.740 2.580 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.185 1.041 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.198 1.042 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.968 2.389 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.169 3.404 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.561 3.216 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.841 0.213 -9.157 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.393 0.952 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.228 -0.377 -7.594 1.00 0.00 H new ATOM 77 N HIS A 4 -2.824 1.715 -3.066 1.00 0.00 N ATOM 78 CA HIS A 4 -2.139 1.719 -1.786 1.00 0.00 C ATOM 79 C HIS A 4 -0.718 1.238 -1.985 1.00 0.00 C ATOM 80 O HIS A 4 -0.486 0.113 -2.425 1.00 0.00 O ATOM 81 CB HIS A 4 -2.829 0.817 -0.762 1.00 0.00 C ATOM 82 CG HIS A 4 -4.194 1.265 -0.333 1.00 0.00 C ATOM 83 ND1 HIS A 4 -5.340 0.561 -0.631 1.00 0.00 N ATOM 84 CD2 HIS A 4 -4.592 2.328 0.405 1.00 0.00 C ATOM 85 CE1 HIS A 4 -6.382 1.171 -0.100 1.00 0.00 C ATOM 86 NE2 HIS A 4 -5.958 2.245 0.538 1.00 0.00 N ATOM 0 H HIS A 4 -3.318 0.851 -3.287 1.00 0.00 H new ATOM 0 HA HIS A 4 -2.157 2.739 -1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.908 -0.186 -1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.194 0.745 0.121 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.377 -0.299 -1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -3.955 3.098 0.813 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.409 0.846 -0.175 1.00 0.00 H new ATOM 95 N TYR A 5 0.217 2.078 -1.618 1.00 0.00 N ATOM 96 CA TYR A 5 1.630 1.787 -1.793 1.00 0.00 C ATOM 97 C TYR A 5 2.219 1.286 -0.491 1.00 0.00 C ATOM 98 O TYR A 5 2.244 2.007 0.505 1.00 0.00 O ATOM 99 CB TYR A 5 2.404 3.034 -2.215 1.00 0.00 C ATOM 100 CG TYR A 5 2.395 3.370 -3.690 1.00 0.00 C ATOM 101 CD1 TYR A 5 1.359 2.996 -4.531 1.00 0.00 C ATOM 102 CD2 TYR A 5 3.444 4.096 -4.230 1.00 0.00 C ATOM 103 CE1 TYR A 5 1.372 3.335 -5.871 1.00 0.00 C ATOM 104 CE2 TYR A 5 3.470 4.437 -5.561 1.00 0.00 C ATOM 105 CZ TYR A 5 2.430 4.054 -6.384 1.00 0.00 C ATOM 106 OH TYR A 5 2.444 4.394 -7.721 1.00 0.00 O ATOM 0 H TYR A 5 0.027 2.984 -1.189 1.00 0.00 H new ATOM 0 HA TYR A 5 1.715 1.029 -2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.000 3.887 -1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.440 2.915 -1.899 1.00 0.00 H new ATOM 0 HD1 TYR A 5 0.529 2.431 -4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.259 4.401 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.556 3.038 -6.513 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.299 5.001 -5.961 1.00 0.00 H new ATOM 0 HH TYR A 5 3.259 4.901 -7.921 1.00 0.00 H new ATOM 116 N TYR A 6 2.684 0.060 -0.492 1.00 0.00 N ATOM 117 CA TYR A 6 3.346 -0.483 0.674 1.00 0.00 C ATOM 118 C TYR A 6 4.780 -0.839 0.336 1.00 0.00 C ATOM 119 O TYR A 6 5.051 -1.520 -0.652 1.00 0.00 O ATOM 120 CB TYR A 6 2.575 -1.678 1.220 1.00 0.00 C ATOM 121 CG TYR A 6 1.249 -1.280 1.827 1.00 0.00 C ATOM 122 CD1 TYR A 6 0.062 -1.442 1.125 1.00 0.00 C ATOM 123 CD2 TYR A 6 1.188 -0.726 3.099 1.00 0.00 C ATOM 124 CE1 TYR A 6 -1.147 -1.072 1.677 1.00 0.00 C ATOM 125 CE2 TYR A 6 -0.019 -0.354 3.657 1.00 0.00 C ATOM 126 CZ TYR A 6 -1.182 -0.528 2.940 1.00 0.00 C ATOM 127 OH TYR A 6 -2.387 -0.162 3.491 1.00 0.00 O ATOM 0 H TYR A 6 2.618 -0.580 -1.283 1.00 0.00 H new ATOM 0 HA TYR A 6 3.367 0.272 1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.403 -2.394 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.179 -2.183 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.086 -1.864 0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.099 -0.584 3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.062 -1.209 1.120 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.051 0.071 4.649 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.239 0.204 4.388 1.00 0.00 H new ATOM 137 N CYS A 7 5.698 -0.360 1.151 1.00 0.00 N ATOM 138 CA CYS A 7 7.100 -0.412 0.809 1.00 0.00 C ATOM 139 C CYS A 7 7.724 -1.767 1.104 1.00 0.00 C ATOM 140 O CYS A 7 7.809 -2.199 2.255 1.00 0.00 O ATOM 141 CB CYS A 7 7.832 0.717 1.512 1.00 0.00 C ATOM 142 SG CYS A 7 8.858 1.683 0.395 1.00 0.00 S ATOM 0 H CYS A 7 5.496 0.069 2.054 1.00 0.00 H new ATOM 0 HA CYS A 7 7.194 -0.278 -0.269 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.105 1.374 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.456 0.302 2.304 1.00 0.00 H new ATOM 147 N ARG A 8 8.171 -2.402 0.025 1.00 0.00 N ATOM 148 CA ARG A 8 8.766 -3.732 0.047 1.00 0.00 C ATOM 149 C ARG A 8 9.877 -3.841 1.086 1.00 0.00 C ATOM 150 O ARG A 8 10.906 -3.172 0.972 1.00 0.00 O ATOM 151 CB ARG A 8 9.323 -4.048 -1.347 1.00 0.00 C ATOM 152 CG ARG A 8 10.189 -5.296 -1.417 1.00 0.00 C ATOM 153 CD ARG A 8 11.558 -4.987 -2.013 1.00 0.00 C ATOM 154 NE ARG A 8 12.326 -4.059 -1.183 1.00 0.00 N ATOM 155 CZ ARG A 8 13.563 -4.296 -0.737 1.00 0.00 C ATOM 156 NH1 ARG A 8 14.191 -5.422 -1.061 1.00 0.00 N ATOM 157 NH2 ARG A 8 14.165 -3.404 0.044 1.00 0.00 N ATOM 0 H ARG A 8 8.128 -1.996 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 8 7.993 -4.450 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.489 -4.162 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.909 -3.196 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.311 -5.713 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.690 -6.054 -2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.118 -5.914 -2.132 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.431 -4.562 -3.009 1.00 0.00 H new ATOM 0 HE ARG A 8 11.889 -3.173 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.729 -6.111 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.135 -5.596 -0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.683 -2.543 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.109 -3.581 0.387 1.00 0.00 H new ATOM 171 N HIS A 9 9.632 -4.649 2.119 1.00 0.00 N ATOM 172 CA HIS A 9 10.668 -5.006 3.100 1.00 0.00 C ATOM 173 C HIS A 9 11.133 -3.752 3.837 1.00 0.00 C ATOM 174 O HIS A 9 12.232 -3.682 4.380 1.00 0.00 O ATOM 175 CB HIS A 9 11.840 -5.708 2.379 1.00 0.00 C ATOM 176 CG HIS A 9 12.923 -6.233 3.279 1.00 0.00 C ATOM 177 ND1 HIS A 9 14.102 -5.685 3.664 1.00 0.00 N flip ATOM 178 CD2 HIS A 9 12.867 -7.467 3.886 1.00 0.00 C flip ATOM 179 CE1 HIS A 9 14.723 -6.587 4.487 1.00 0.00 C flip ATOM 180 NE2 HIS A 9 13.958 -7.653 4.604 1.00 0.00 N flip ATOM 0 H HIS A 9 8.722 -5.072 2.302 1.00 0.00 H new ATOM 0 HA HIS A 9 10.261 -5.697 3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.442 -6.537 1.795 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.285 -5.006 1.674 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.056 -8.173 3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.683 -6.447 4.962 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.173 -8.483 5.157 1.00 0.00 H new ATOM 189 N CYS A 10 10.274 -2.760 3.863 1.00 0.00 N ATOM 190 CA CYS A 10 10.663 -1.457 4.331 1.00 0.00 C ATOM 191 C CYS A 10 9.694 -0.934 5.395 1.00 0.00 C ATOM 192 O CYS A 10 10.063 -0.104 6.222 1.00 0.00 O ATOM 193 CB CYS A 10 10.763 -0.563 3.104 1.00 0.00 C ATOM 194 SG CYS A 10 11.088 1.180 3.393 1.00 0.00 S ATOM 0 H CYS A 10 9.301 -2.834 3.565 1.00 0.00 H new ATOM 0 HA CYS A 10 11.629 -1.484 4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 10 11.553 -0.954 2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.830 -0.646 2.547 1.00 0.00 H new ATOM 199 N GLY A 11 8.457 -1.430 5.378 1.00 0.00 N ATOM 200 CA GLY A 11 7.543 -1.199 6.488 1.00 0.00 C ATOM 201 C GLY A 11 6.867 0.160 6.479 1.00 0.00 C ATOM 202 O GLY A 11 6.141 0.499 7.415 1.00 0.00 O ATOM 0 H GLY A 11 8.071 -1.987 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.775 -1.972 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.092 -1.311 7.423 1.00 0.00 H new ATOM 206 N VAL A 12 7.097 0.943 5.442 1.00 0.00 N ATOM 207 CA VAL A 12 6.490 2.256 5.343 1.00 0.00 C ATOM 208 C VAL A 12 5.393 2.272 4.286 1.00 0.00 C ATOM 209 O VAL A 12 5.483 1.586 3.266 1.00 0.00 O ATOM 210 CB VAL A 12 7.549 3.344 5.045 1.00 0.00 C ATOM 211 CG1 VAL A 12 8.490 2.900 3.953 1.00 0.00 C ATOM 212 CG2 VAL A 12 6.906 4.644 4.631 1.00 0.00 C ATOM 0 H VAL A 12 7.699 0.693 4.657 1.00 0.00 H new ATOM 0 HA VAL A 12 6.038 2.482 6.309 1.00 0.00 H new ATOM 0 HB VAL A 12 8.107 3.499 5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.224 3.684 3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 12 9.003 1.990 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.924 2.705 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.680 5.385 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.312 4.486 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.261 5.002 5.433 1.00 0.00 H new ATOM 222 N LYS A 13 4.353 3.043 4.551 1.00 0.00 N ATOM 223 CA LYS A 13 3.234 3.163 3.636 1.00 0.00 C ATOM 224 C LYS A 13 3.409 4.393 2.762 1.00 0.00 C ATOM 225 O LYS A 13 3.314 5.524 3.233 1.00 0.00 O ATOM 226 CB LYS A 13 1.927 3.255 4.414 1.00 0.00 C ATOM 227 CG LYS A 13 1.759 2.145 5.437 1.00 0.00 C ATOM 228 CD LYS A 13 0.461 2.286 6.213 1.00 0.00 C ATOM 229 CE LYS A 13 0.440 3.558 7.047 1.00 0.00 C ATOM 230 NZ LYS A 13 1.552 3.598 8.035 1.00 0.00 N ATOM 0 H LYS A 13 4.261 3.600 5.401 1.00 0.00 H new ATOM 0 HA LYS A 13 3.201 2.278 3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.881 4.218 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.092 3.224 3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.778 1.179 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.600 2.159 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.379 2.292 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.330 1.422 6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.509 4.424 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.513 3.632 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.370 4.348 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.617 2.681 8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.447 3.793 7.543 1.00 0.00 H new ATOM 244 N VAL A 14 3.663 4.162 1.492 1.00 0.00 N ATOM 245 CA VAL A 14 3.903 5.243 0.553 1.00 0.00 C ATOM 246 C VAL A 14 2.647 5.538 -0.246 1.00 0.00 C ATOM 247 O VAL A 14 2.692 6.232 -1.262 1.00 0.00 O ATOM 248 CB VAL A 14 5.062 4.926 -0.416 1.00 0.00 C ATOM 249 CG1 VAL A 14 6.202 5.909 -0.212 1.00 0.00 C ATOM 250 CG2 VAL A 14 5.559 3.499 -0.229 1.00 0.00 C ATOM 0 H VAL A 14 3.709 3.229 1.081 1.00 0.00 H new ATOM 0 HA VAL A 14 4.183 6.117 1.140 1.00 0.00 H new ATOM 0 HB VAL A 14 4.687 5.024 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.013 5.674 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.847 6.922 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.565 5.837 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.375 3.304 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.914 3.368 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.744 2.802 -0.422 1.00 0.00 H new ATOM 260 N GLY A 15 1.529 4.983 0.217 1.00 0.00 N ATOM 261 CA GLY A 15 0.255 5.206 -0.431 1.00 0.00 C ATOM 262 C GLY A 15 -0.096 6.671 -0.482 1.00 0.00 C ATOM 263 O GLY A 15 -0.513 7.176 -1.524 1.00 0.00 O ATOM 0 H GLY A 15 1.488 4.378 1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.287 4.804 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.525 4.663 0.103 1.00 0.00 H new ATOM 267 N SER A 16 0.072 7.350 0.651 1.00 0.00 N ATOM 268 CA SER A 16 -0.095 8.795 0.727 1.00 0.00 C ATOM 269 C SER A 16 -1.543 9.211 0.438 1.00 0.00 C ATOM 270 O SER A 16 -2.442 8.374 0.305 1.00 0.00 O ATOM 271 CB SER A 16 0.871 9.475 -0.261 1.00 0.00 C ATOM 272 OG SER A 16 0.819 10.891 -0.164 1.00 0.00 O ATOM 0 H SER A 16 0.327 6.914 1.537 1.00 0.00 H new ATOM 0 HA SER A 16 0.137 9.116 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.888 9.135 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.623 9.172 -1.278 1.00 0.00 H new ATOM 0 HG SER A 16 1.059 11.287 -1.028 1.00 0.00 H new ATOM 278 N LEU A 17 -1.747 10.516 0.383 1.00 0.00 N ATOM 279 CA LEU A 17 -3.042 11.108 0.084 1.00 0.00 C ATOM 280 C LEU A 17 -2.895 12.091 -1.069 1.00 0.00 C ATOM 281 O LEU A 17 -3.862 12.709 -1.517 1.00 0.00 O ATOM 282 CB LEU A 17 -3.577 11.838 1.309 1.00 0.00 C ATOM 283 CG LEU A 17 -2.625 12.882 1.892 1.00 0.00 C ATOM 284 CD1 LEU A 17 -3.398 14.096 2.357 1.00 0.00 C ATOM 285 CD2 LEU A 17 -1.822 12.297 3.044 1.00 0.00 C ATOM 0 H LEU A 17 -1.011 11.203 0.546 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.740 10.319 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.514 12.327 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.808 11.104 2.081 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.930 13.186 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.707 14.831 2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.931 14.533 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.114 13.800 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.151 13.058 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.501 11.964 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.237 11.449 2.686 1.00 0.00 H new ATOM 297 N GLU A 18 -1.657 12.254 -1.502 1.00 0.00 N ATOM 298 CA GLU A 18 -1.330 13.103 -2.641 1.00 0.00 C ATOM 299 C GLU A 18 -1.090 12.251 -3.887 1.00 0.00 C ATOM 300 O GLU A 18 -0.869 12.776 -4.981 1.00 0.00 O ATOM 301 CB GLU A 18 -0.069 13.914 -2.336 1.00 0.00 C ATOM 302 CG GLU A 18 -0.135 14.691 -1.032 1.00 0.00 C ATOM 303 CD GLU A 18 -1.083 15.869 -1.093 1.00 0.00 C ATOM 304 OE1 GLU A 18 -0.610 17.003 -1.320 1.00 0.00 O ATOM 305 OE2 GLU A 18 -2.299 15.679 -0.896 1.00 0.00 O ATOM 0 H GLU A 18 -0.848 11.803 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.167 13.777 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.786 13.238 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.109 14.612 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.448 14.021 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.863 15.048 -0.777 1.00 0.00 H new ATOM 312 N SER A 19 -1.153 10.936 -3.717 1.00 0.00 N ATOM 313 CA SER A 19 -0.801 9.995 -4.776 1.00 0.00 C ATOM 314 C SER A 19 -1.714 10.119 -5.988 1.00 0.00 C ATOM 315 O SER A 19 -1.312 9.821 -7.107 1.00 0.00 O ATOM 316 CB SER A 19 -0.848 8.572 -4.231 1.00 0.00 C ATOM 317 OG SER A 19 -2.044 8.344 -3.505 1.00 0.00 O ATOM 0 H SER A 19 -1.448 10.493 -2.847 1.00 0.00 H new ATOM 0 HA SER A 19 0.209 10.235 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.777 7.861 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.012 8.398 -3.585 1.00 0.00 H new ATOM 0 HG SER A 19 -1.833 7.895 -2.660 1.00 0.00 H new ATOM 323 N SER A 20 -2.933 10.571 -5.757 1.00 0.00 N ATOM 324 CA SER A 20 -3.916 10.725 -6.828 1.00 0.00 C ATOM 325 C SER A 20 -3.430 11.669 -7.935 1.00 0.00 C ATOM 326 O SER A 20 -3.857 11.557 -9.082 1.00 0.00 O ATOM 327 CB SER A 20 -5.233 11.235 -6.251 1.00 0.00 C ATOM 328 OG SER A 20 -4.999 12.292 -5.336 1.00 0.00 O ATOM 0 H SER A 20 -3.273 10.841 -4.834 1.00 0.00 H new ATOM 0 HA SER A 20 -4.062 9.744 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.880 11.581 -7.057 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.756 10.421 -5.749 1.00 0.00 H new ATOM 0 HG SER A 20 -4.692 11.923 -4.482 1.00 0.00 H new ATOM 334 N MET A 21 -2.520 12.585 -7.602 1.00 0.00 N ATOM 335 CA MET A 21 -2.050 13.559 -8.580 1.00 0.00 C ATOM 336 C MET A 21 -0.653 13.187 -9.041 1.00 0.00 C ATOM 337 O MET A 21 -0.160 13.676 -10.057 1.00 0.00 O ATOM 338 CB MET A 21 -2.051 14.982 -8.000 1.00 0.00 C ATOM 339 CG MET A 21 -1.079 15.184 -6.849 1.00 0.00 C ATOM 340 SD MET A 21 -1.026 16.892 -6.265 1.00 0.00 S ATOM 341 CE MET A 21 -2.731 17.148 -5.765 1.00 0.00 C ATOM 0 H MET A 21 -2.101 12.671 -6.676 1.00 0.00 H new ATOM 0 HA MET A 21 -2.732 13.544 -9.430 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.808 15.687 -8.795 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.058 15.223 -7.658 1.00 0.00 H new ATOM 0 HG2 MET A 21 -1.362 14.532 -6.023 1.00 0.00 H new ATOM 0 HG3 MET A 21 -0.081 14.883 -7.166 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.790 18.012 -5.104 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.347 17.323 -6.647 1.00 0.00 H new ATOM 0 HE3 MET A 21 -3.093 16.264 -5.240 1.00 0.00 H new ATOM 351 N VAL A 22 -0.021 12.309 -8.283 1.00 0.00 N ATOM 352 CA VAL A 22 1.334 11.884 -8.572 1.00 0.00 C ATOM 353 C VAL A 22 1.330 10.603 -9.396 1.00 0.00 C ATOM 354 O VAL A 22 2.229 10.345 -10.198 1.00 0.00 O ATOM 355 CB VAL A 22 2.122 11.667 -7.264 1.00 0.00 C ATOM 356 CG1 VAL A 22 3.559 11.304 -7.552 1.00 0.00 C ATOM 357 CG2 VAL A 22 2.052 12.902 -6.384 1.00 0.00 C ATOM 0 H VAL A 22 -0.430 11.874 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 22 1.821 12.670 -9.150 1.00 0.00 H new ATOM 0 HB VAL A 22 1.662 10.836 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.092 11.157 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.592 10.384 -8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.032 12.109 -8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.614 12.727 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.480 13.752 -6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.012 13.114 -6.137 1.00 0.00 H new ATOM 367 N SER A 23 0.288 9.824 -9.210 1.00 0.00 N ATOM 368 CA SER A 23 0.136 8.551 -9.892 1.00 0.00 C ATOM 369 C SER A 23 -1.138 8.547 -10.732 1.00 0.00 C ATOM 370 O SER A 23 -2.248 8.446 -10.209 1.00 0.00 O ATOM 371 CB SER A 23 0.096 7.408 -8.873 1.00 0.00 C ATOM 372 OG SER A 23 0.044 6.135 -9.503 1.00 0.00 O ATOM 0 H SER A 23 -0.482 10.053 -8.581 1.00 0.00 H new ATOM 0 HA SER A 23 0.991 8.407 -10.553 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.978 7.461 -8.234 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.773 7.529 -8.227 1.00 0.00 H new ATOM 0 HG SER A 23 0.409 6.204 -10.410 1.00 0.00 H new ATOM 378 N THR A 24 -0.963 8.664 -12.031 1.00 0.00 N ATOM 379 CA THR A 24 -2.071 8.600 -12.969 1.00 0.00 C ATOM 380 C THR A 24 -2.156 7.202 -13.568 1.00 0.00 C ATOM 381 O THR A 24 -2.354 7.026 -14.772 1.00 0.00 O ATOM 382 CB THR A 24 -1.912 9.646 -14.087 1.00 0.00 C ATOM 383 OG1 THR A 24 -0.541 9.709 -14.503 1.00 0.00 O ATOM 384 CG2 THR A 24 -2.370 11.019 -13.618 1.00 0.00 C ATOM 0 H THR A 24 -0.053 8.806 -12.469 1.00 0.00 H new ATOM 0 HA THR A 24 -2.992 8.821 -12.430 1.00 0.00 H new ATOM 0 HB THR A 24 -2.536 9.344 -14.929 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.446 10.375 -15.216 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.247 11.739 -14.427 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.420 10.973 -13.329 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.771 11.329 -12.762 1.00 0.00 H new ATOM 392 N ASP A 25 -1.997 6.212 -12.702 1.00 0.00 N ATOM 393 CA ASP A 25 -1.960 4.823 -13.110 1.00 0.00 C ATOM 394 C ASP A 25 -3.329 4.216 -12.908 1.00 0.00 C ATOM 395 O ASP A 25 -4.000 3.847 -13.870 1.00 0.00 O ATOM 396 CB ASP A 25 -0.904 4.050 -12.313 1.00 0.00 C ATOM 397 CG ASP A 25 0.508 4.555 -12.557 1.00 0.00 C ATOM 398 OD1 ASP A 25 0.882 5.605 -11.988 1.00 0.00 O ATOM 399 OD2 ASP A 25 1.260 3.896 -13.311 1.00 0.00 O ATOM 0 H ASP A 25 -1.890 6.353 -11.697 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.687 4.763 -14.164 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.132 4.124 -11.250 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.958 2.994 -12.578 1.00 0.00 H new ATOM 404 N SER A 26 -3.732 4.136 -11.635 1.00 0.00 N ATOM 405 CA SER A 26 -5.085 3.742 -11.246 1.00 0.00 C ATOM 406 C SER A 26 -5.347 2.247 -11.475 1.00 0.00 C ATOM 407 O SER A 26 -5.840 1.558 -10.580 1.00 0.00 O ATOM 408 CB SER A 26 -6.103 4.622 -11.976 1.00 0.00 C ATOM 409 OG SER A 26 -7.410 4.073 -11.930 1.00 0.00 O ATOM 0 H SER A 26 -3.123 4.344 -10.844 1.00 0.00 H new ATOM 0 HA SER A 26 -5.193 3.898 -10.173 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.111 5.615 -11.527 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.797 4.744 -13.015 1.00 0.00 H new ATOM 0 HG SER A 26 -8.030 4.664 -12.405 1.00 0.00 H new ATOM 415 N LEU A 27 -5.013 1.749 -12.655 1.00 0.00 N ATOM 416 CA LEU A 27 -5.156 0.334 -12.956 1.00 0.00 C ATOM 417 C LEU A 27 -4.095 -0.479 -12.227 1.00 0.00 C ATOM 418 O LEU A 27 -2.901 -0.360 -12.511 1.00 0.00 O ATOM 419 CB LEU A 27 -5.065 0.080 -14.463 1.00 0.00 C ATOM 420 CG LEU A 27 -6.338 0.383 -15.252 1.00 0.00 C ATOM 421 CD1 LEU A 27 -6.495 1.872 -15.482 1.00 0.00 C ATOM 422 CD2 LEU A 27 -6.334 -0.369 -16.566 1.00 0.00 C ATOM 0 H LEU A 27 -4.639 2.307 -13.423 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.141 0.019 -12.612 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.253 0.684 -14.869 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.797 -0.964 -14.624 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.192 0.047 -14.665 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.409 2.059 -16.046 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.550 2.385 -14.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.639 2.246 -16.044 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.247 -0.143 -17.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.469 -0.066 -17.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.283 -1.440 -16.372 1.00 0.00 H new ATOM 434 N GLY A 28 -4.532 -1.299 -11.282 1.00 0.00 N ATOM 435 CA GLY A 28 -3.612 -2.149 -10.550 1.00 0.00 C ATOM 436 C GLY A 28 -3.330 -3.439 -11.288 1.00 0.00 C ATOM 437 O GLY A 28 -3.382 -4.525 -10.710 1.00 0.00 O ATOM 0 H GLY A 28 -5.510 -1.392 -11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.677 -1.614 -10.383 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.029 -2.375 -9.569 1.00 0.00 H new ATOM 441 N PHE A 29 -3.010 -3.312 -12.565 1.00 0.00 N ATOM 442 CA PHE A 29 -2.780 -4.447 -13.422 1.00 0.00 C ATOM 443 C PHE A 29 -1.479 -4.242 -14.167 1.00 0.00 C ATOM 444 O PHE A 29 -1.122 -3.118 -14.512 1.00 0.00 O ATOM 445 CB PHE A 29 -3.926 -4.617 -14.418 1.00 0.00 C ATOM 446 CG PHE A 29 -5.282 -4.699 -13.787 1.00 0.00 C ATOM 447 CD1 PHE A 29 -5.759 -5.903 -13.306 1.00 0.00 C ATOM 448 CD2 PHE A 29 -6.081 -3.573 -13.683 1.00 0.00 C ATOM 449 CE1 PHE A 29 -7.007 -5.982 -12.725 1.00 0.00 C ATOM 450 CE2 PHE A 29 -7.328 -3.644 -13.106 1.00 0.00 C ATOM 451 CZ PHE A 29 -7.795 -4.853 -12.624 1.00 0.00 C ATOM 0 H PHE A 29 -2.904 -2.411 -13.032 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.725 -5.349 -12.812 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.913 -3.780 -15.116 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.754 -5.521 -15.001 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.149 -6.791 -13.386 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.721 -2.627 -14.060 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.368 -6.928 -12.349 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.941 -2.758 -13.030 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.773 -4.914 -12.170 1.00 0.00 H new ATOM 461 N GLN A 30 -0.787 -5.328 -14.412 1.00 0.00 N ATOM 462 CA GLN A 30 0.518 -5.274 -15.064 1.00 0.00 C ATOM 463 C GLN A 30 0.495 -6.061 -16.365 1.00 0.00 C ATOM 464 O GLN A 30 1.086 -5.654 -17.364 1.00 0.00 O ATOM 465 CB GLN A 30 1.626 -5.802 -14.137 1.00 0.00 C ATOM 466 CG GLN A 30 1.429 -7.242 -13.673 1.00 0.00 C ATOM 467 CD GLN A 30 2.600 -7.763 -12.854 1.00 0.00 C ATOM 468 OE1 GLN A 30 3.282 -6.999 -12.171 1.00 0.00 O ATOM 469 NE2 GLN A 30 2.848 -9.066 -12.914 1.00 0.00 N ATOM 0 H GLN A 30 -1.100 -6.269 -14.172 1.00 0.00 H new ATOM 0 HA GLN A 30 0.737 -4.230 -15.289 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.582 -5.728 -14.655 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.688 -5.156 -13.261 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.518 -7.306 -13.077 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.286 -7.883 -14.543 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.263 -9.671 -13.490 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.624 -9.462 -12.384 1.00 0.00 H new ATOM 478 N HIS A 31 -0.199 -7.185 -16.344 1.00 0.00 N ATOM 479 CA HIS A 31 -0.334 -8.024 -17.519 1.00 0.00 C ATOM 480 C HIS A 31 -1.744 -8.589 -17.557 1.00 0.00 C ATOM 481 O HIS A 31 -2.079 -9.492 -16.795 1.00 0.00 O ATOM 482 CB HIS A 31 0.699 -9.156 -17.497 1.00 0.00 C ATOM 483 CG HIS A 31 0.741 -9.957 -18.763 1.00 0.00 C ATOM 484 ND1 HIS A 31 1.705 -9.778 -19.729 1.00 0.00 N ATOM 485 CD2 HIS A 31 -0.068 -10.940 -19.222 1.00 0.00 C ATOM 486 CE1 HIS A 31 1.486 -10.610 -20.728 1.00 0.00 C ATOM 487 NE2 HIS A 31 0.415 -11.330 -20.446 1.00 0.00 N ATOM 0 H HIS A 31 -0.681 -7.539 -15.518 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.154 -7.429 -18.414 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.686 -8.732 -17.313 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.478 -9.822 -16.663 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.934 -11.343 -18.718 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.082 -10.689 -21.625 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.013 -12.056 -21.040 1.00 0.00 H new ATOM 496 N LEU A 32 -2.562 -8.045 -18.433 1.00 0.00 N ATOM 497 CA LEU A 32 -3.967 -8.400 -18.476 1.00 0.00 C ATOM 498 C LEU A 32 -4.479 -8.313 -19.911 1.00 0.00 C ATOM 499 O LEU A 32 -3.911 -7.597 -20.732 1.00 0.00 O ATOM 500 CB LEU A 32 -4.775 -7.483 -17.536 1.00 0.00 C ATOM 501 CG LEU A 32 -4.954 -6.023 -17.981 1.00 0.00 C ATOM 502 CD1 LEU A 32 -6.076 -5.369 -17.187 1.00 0.00 C ATOM 503 CD2 LEU A 32 -3.667 -5.230 -17.802 1.00 0.00 C ATOM 0 H LEU A 32 -2.278 -7.353 -19.127 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.092 -9.426 -18.131 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.764 -7.921 -17.401 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.290 -7.484 -16.560 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.210 -6.024 -19.040 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.195 -4.335 -17.510 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.006 -5.911 -17.357 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.831 -5.392 -16.125 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.826 -4.201 -18.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.377 -5.239 -16.751 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.876 -5.681 -18.401 1.00 0.00 H new ATOM 515 N THR A 33 -5.532 -9.059 -20.221 1.00 0.00 N ATOM 516 CA THR A 33 -6.072 -9.094 -21.579 1.00 0.00 C ATOM 517 C THR A 33 -7.543 -9.516 -21.589 1.00 0.00 C ATOM 518 O THR A 33 -8.434 -8.680 -21.732 1.00 0.00 O ATOM 519 CB THR A 33 -5.258 -10.041 -22.490 1.00 0.00 C ATOM 520 OG1 THR A 33 -3.975 -9.468 -22.781 1.00 0.00 O ATOM 521 CG2 THR A 33 -6.006 -10.328 -23.783 1.00 0.00 C ATOM 0 H THR A 33 -6.030 -9.648 -19.553 1.00 0.00 H new ATOM 0 HA THR A 33 -5.995 -8.079 -21.970 1.00 0.00 H new ATOM 0 HB THR A 33 -5.116 -10.983 -21.960 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.813 -8.708 -22.184 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.412 -10.996 -24.406 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.962 -10.799 -23.554 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.181 -9.394 -24.317 1.00 0.00 H new ATOM 529 N ASN A 34 -7.798 -10.809 -21.424 1.00 0.00 N ATOM 530 CA ASN A 34 -9.164 -11.315 -21.394 1.00 0.00 C ATOM 531 C ASN A 34 -9.826 -10.828 -20.127 1.00 0.00 C ATOM 532 O ASN A 34 -11.038 -10.629 -20.061 1.00 0.00 O ATOM 533 CB ASN A 34 -9.184 -12.845 -21.447 1.00 0.00 C ATOM 534 CG ASN A 34 -8.601 -13.389 -22.734 1.00 0.00 C ATOM 535 OD1 ASN A 34 -8.706 -12.763 -23.788 1.00 0.00 O ATOM 536 ND2 ASN A 34 -7.968 -14.547 -22.654 1.00 0.00 N ATOM 0 H ASN A 34 -7.079 -11.523 -21.309 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.705 -10.948 -22.266 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.622 -13.242 -20.601 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.211 -13.195 -21.340 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.543 -14.955 -23.487 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.905 -15.033 -21.759 1.00 0.00 H new ATOM 543 N GLU A 35 -8.988 -10.614 -19.129 1.00 0.00 N ATOM 544 CA GLU A 35 -9.416 -10.052 -17.858 1.00 0.00 C ATOM 545 C GLU A 35 -9.724 -8.580 -18.055 1.00 0.00 C ATOM 546 O GLU A 35 -10.733 -8.059 -17.583 1.00 0.00 O ATOM 547 CB GLU A 35 -8.298 -10.202 -16.828 1.00 0.00 C ATOM 548 CG GLU A 35 -7.590 -11.538 -16.906 1.00 0.00 C ATOM 549 CD GLU A 35 -6.492 -11.682 -15.875 1.00 0.00 C ATOM 550 OE1 GLU A 35 -5.407 -11.098 -16.073 1.00 0.00 O ATOM 551 OE2 GLU A 35 -6.701 -12.391 -14.869 1.00 0.00 O ATOM 0 H GLU A 35 -7.991 -10.824 -19.175 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.303 -10.576 -17.503 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.570 -9.404 -16.973 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.714 -10.077 -15.829 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.318 -12.338 -16.769 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.165 -11.661 -17.902 1.00 0.00 H new ATOM 558 N GLU A 36 -8.839 -7.948 -18.809 1.00 0.00 N ATOM 559 CA GLU A 36 -8.917 -6.525 -19.127 1.00 0.00 C ATOM 560 C GLU A 36 -10.276 -6.151 -19.710 1.00 0.00 C ATOM 561 O GLU A 36 -10.775 -5.056 -19.480 1.00 0.00 O ATOM 562 CB GLU A 36 -7.805 -6.172 -20.120 1.00 0.00 C ATOM 563 CG GLU A 36 -7.745 -4.702 -20.503 1.00 0.00 C ATOM 564 CD GLU A 36 -6.675 -4.415 -21.537 1.00 0.00 C ATOM 565 OE1 GLU A 36 -5.555 -4.013 -21.152 1.00 0.00 O ATOM 566 OE2 GLU A 36 -6.948 -4.591 -22.744 1.00 0.00 O ATOM 0 H GLU A 36 -8.033 -8.413 -19.225 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.790 -5.959 -18.204 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.846 -6.462 -19.690 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.941 -6.765 -21.024 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.715 -4.391 -20.892 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.554 -4.105 -19.611 1.00 0.00 H new ATOM 573 N ARG A 37 -10.878 -7.069 -20.449 1.00 0.00 N ATOM 574 CA ARG A 37 -12.174 -6.820 -21.070 1.00 0.00 C ATOM 575 C ARG A 37 -13.251 -6.566 -20.015 1.00 0.00 C ATOM 576 O ARG A 37 -14.148 -5.749 -20.216 1.00 0.00 O ATOM 577 CB ARG A 37 -12.552 -7.997 -21.969 1.00 0.00 C ATOM 578 CG ARG A 37 -11.544 -8.220 -23.084 1.00 0.00 C ATOM 579 CD ARG A 37 -11.856 -9.457 -23.907 1.00 0.00 C ATOM 580 NE ARG A 37 -10.829 -9.696 -24.919 1.00 0.00 N ATOM 581 CZ ARG A 37 -10.736 -10.810 -25.642 1.00 0.00 C ATOM 582 NH1 ARG A 37 -11.642 -11.769 -25.511 1.00 0.00 N ATOM 583 NH2 ARG A 37 -9.741 -10.959 -26.504 1.00 0.00 N ATOM 0 H ARG A 37 -10.492 -7.995 -20.635 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.101 -5.921 -21.682 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.629 -8.902 -21.366 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.536 -7.818 -22.403 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.529 -7.347 -23.737 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.546 -8.314 -22.655 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.931 -10.324 -23.250 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.826 -9.339 -24.391 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.139 -8.962 -25.082 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.414 -11.655 -24.854 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.567 -12.621 -26.067 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.046 -10.220 -26.614 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.670 -11.812 -27.058 1.00 0.00 H new ATOM 597 N ASN A 38 -13.168 -7.276 -18.898 1.00 0.00 N ATOM 598 CA ASN A 38 -14.068 -7.037 -17.775 1.00 0.00 C ATOM 599 C ASN A 38 -13.590 -5.851 -16.936 1.00 0.00 C ATOM 600 O ASN A 38 -14.375 -4.983 -16.555 1.00 0.00 O ATOM 601 CB ASN A 38 -14.184 -8.288 -16.897 1.00 0.00 C ATOM 602 CG ASN A 38 -15.244 -8.139 -15.818 1.00 0.00 C ATOM 603 OD1 ASN A 38 -16.421 -8.412 -16.052 1.00 0.00 O ATOM 604 ND2 ASN A 38 -14.836 -7.732 -14.626 1.00 0.00 N ATOM 0 H ASN A 38 -12.489 -8.021 -18.744 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.052 -6.801 -18.180 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -14.424 -9.147 -17.523 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -13.220 -8.493 -16.431 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.506 -7.635 -13.863 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -13.852 -7.515 -14.471 1.00 0.00 H new ATOM 611 N ASP A 39 -12.286 -5.818 -16.671 1.00 0.00 N ATOM 612 CA ASP A 39 -11.689 -4.824 -15.771 1.00 0.00 C ATOM 613 C ASP A 39 -11.636 -3.428 -16.390 1.00 0.00 C ATOM 614 O ASP A 39 -11.377 -2.448 -15.694 1.00 0.00 O ATOM 615 CB ASP A 39 -10.276 -5.251 -15.355 1.00 0.00 C ATOM 616 CG ASP A 39 -10.270 -6.462 -14.439 1.00 0.00 C ATOM 617 OD1 ASP A 39 -9.763 -7.529 -14.851 1.00 0.00 O ATOM 618 OD2 ASP A 39 -10.775 -6.355 -13.301 1.00 0.00 O ATOM 0 H ASP A 39 -11.614 -6.474 -17.069 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.334 -4.775 -14.894 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.692 -5.474 -16.248 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.784 -4.419 -14.852 1.00 0.00 H new ATOM 623 N MET A 40 -11.894 -3.331 -17.691 1.00 0.00 N ATOM 624 CA MET A 40 -11.763 -2.061 -18.412 1.00 0.00 C ATOM 625 C MET A 40 -12.732 -1.002 -17.891 1.00 0.00 C ATOM 626 O MET A 40 -12.549 0.185 -18.141 1.00 0.00 O ATOM 627 CB MET A 40 -12.000 -2.257 -19.913 1.00 0.00 C ATOM 628 CG MET A 40 -13.407 -2.725 -20.255 1.00 0.00 C ATOM 629 SD MET A 40 -13.724 -2.764 -22.030 1.00 0.00 S ATOM 630 CE MET A 40 -13.683 -1.015 -22.420 1.00 0.00 C ATOM 0 H MET A 40 -12.195 -4.114 -18.271 1.00 0.00 H new ATOM 0 HA MET A 40 -10.744 -1.712 -18.242 1.00 0.00 H new ATOM 0 HB2 MET A 40 -11.804 -1.317 -20.428 1.00 0.00 H new ATOM 0 HB3 MET A 40 -11.282 -2.984 -20.293 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.563 -3.721 -19.842 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.130 -2.064 -19.777 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.213 -0.838 -23.356 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.164 -0.452 -21.620 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.648 -0.689 -22.522 1.00 0.00 H new ATOM 640 N ILE A 41 -13.747 -1.428 -17.154 1.00 0.00 N ATOM 641 CA ILE A 41 -14.750 -0.507 -16.633 1.00 0.00 C ATOM 642 C ILE A 41 -14.278 0.107 -15.305 1.00 0.00 C ATOM 643 O ILE A 41 -15.047 0.245 -14.353 1.00 0.00 O ATOM 644 CB ILE A 41 -16.110 -1.220 -16.446 1.00 0.00 C ATOM 645 CG1 ILE A 41 -16.459 -2.025 -17.701 1.00 0.00 C ATOM 646 CG2 ILE A 41 -17.210 -0.209 -16.152 1.00 0.00 C ATOM 647 CD1 ILE A 41 -17.774 -2.769 -17.608 1.00 0.00 C ATOM 0 H ILE A 41 -13.899 -2.405 -16.903 1.00 0.00 H new ATOM 0 HA ILE A 41 -14.884 0.295 -17.359 1.00 0.00 H new ATOM 0 HB ILE A 41 -16.029 -1.900 -15.598 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.495 -1.349 -18.556 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.661 -2.741 -17.895 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -18.159 -0.730 -16.024 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -16.969 0.336 -15.239 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -17.291 0.492 -16.982 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -17.950 -3.314 -18.535 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -17.737 -3.471 -16.775 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -18.584 -2.058 -17.446 1.00 0.00 H new ATOM 659 N SER A 42 -12.992 0.459 -15.253 1.00 0.00 N ATOM 660 CA SER A 42 -12.388 1.071 -14.069 1.00 0.00 C ATOM 661 C SER A 42 -12.594 0.226 -12.817 1.00 0.00 C ATOM 662 O SER A 42 -12.611 0.735 -11.695 1.00 0.00 O ATOM 663 CB SER A 42 -12.954 2.465 -13.850 1.00 0.00 C ATOM 664 OG SER A 42 -12.515 3.363 -14.861 1.00 0.00 O ATOM 0 H SER A 42 -12.342 0.328 -16.028 1.00 0.00 H new ATOM 0 HA SER A 42 -11.315 1.136 -14.251 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.043 2.422 -13.846 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.647 2.836 -12.872 1.00 0.00 H new ATOM 0 HG SER A 42 -12.895 4.251 -14.697 1.00 0.00 H new ATOM 670 N TYR A 43 -12.756 -1.063 -13.018 1.00 0.00 N ATOM 671 CA TYR A 43 -12.973 -1.982 -11.925 1.00 0.00 C ATOM 672 C TYR A 43 -11.689 -2.740 -11.615 1.00 0.00 C ATOM 673 O TYR A 43 -10.901 -3.036 -12.513 1.00 0.00 O ATOM 674 CB TYR A 43 -14.105 -2.936 -12.299 1.00 0.00 C ATOM 675 CG TYR A 43 -14.323 -4.078 -11.325 1.00 0.00 C ATOM 676 CD1 TYR A 43 -13.749 -5.325 -11.540 1.00 0.00 C ATOM 677 CD2 TYR A 43 -15.111 -3.907 -10.195 1.00 0.00 C ATOM 678 CE1 TYR A 43 -13.958 -6.368 -10.658 1.00 0.00 C ATOM 679 CE2 TYR A 43 -15.321 -4.944 -9.306 1.00 0.00 C ATOM 680 CZ TYR A 43 -14.743 -6.172 -9.542 1.00 0.00 C ATOM 681 OH TYR A 43 -14.958 -7.211 -8.661 1.00 0.00 O ATOM 0 H TYR A 43 -12.741 -1.501 -13.939 1.00 0.00 H new ATOM 0 HA TYR A 43 -13.257 -1.434 -11.026 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -15.030 -2.365 -12.381 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -13.899 -3.352 -13.285 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -13.129 -5.482 -12.411 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -15.568 -2.947 -10.007 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.508 -7.332 -10.842 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -15.935 -4.792 -8.431 1.00 0.00 H new ATOM 0 HH TYR A 43 -15.532 -6.905 -7.928 1.00 0.00 H new ATOM 691 N LYS A 44 -11.473 -3.032 -10.346 1.00 0.00 N ATOM 692 CA LYS A 44 -10.288 -3.755 -9.922 1.00 0.00 C ATOM 693 C LYS A 44 -10.651 -5.158 -9.442 1.00 0.00 C ATOM 694 O LYS A 44 -11.288 -5.329 -8.401 1.00 0.00 O ATOM 695 CB LYS A 44 -9.561 -2.971 -8.824 1.00 0.00 C ATOM 696 CG LYS A 44 -10.470 -2.496 -7.701 1.00 0.00 C ATOM 697 CD LYS A 44 -9.763 -1.511 -6.785 1.00 0.00 C ATOM 698 CE LYS A 44 -10.698 -0.977 -5.712 1.00 0.00 C ATOM 699 NZ LYS A 44 -11.948 -0.415 -6.286 1.00 0.00 N ATOM 0 H LYS A 44 -12.106 -2.778 -9.587 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.618 -3.860 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.776 -3.599 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.071 -2.106 -9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.357 -2.026 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.810 -3.354 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.909 -1.999 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.372 -0.681 -7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.948 -1.779 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.186 -0.206 -5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.253 0.402 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.775 -0.112 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.692 -1.141 -6.275 1.00 0.00 H new ATOM 713 N GLU A 45 -10.254 -6.160 -10.225 1.00 0.00 N ATOM 714 CA GLU A 45 -10.495 -7.565 -9.893 1.00 0.00 C ATOM 715 C GLU A 45 -9.953 -7.915 -8.506 1.00 0.00 C ATOM 716 O GLU A 45 -10.469 -8.806 -7.833 1.00 0.00 O ATOM 717 CB GLU A 45 -9.838 -8.469 -10.938 1.00 0.00 C ATOM 718 CG GLU A 45 -10.069 -9.942 -10.702 1.00 0.00 C ATOM 719 CD GLU A 45 -9.272 -10.817 -11.640 1.00 0.00 C ATOM 720 OE1 GLU A 45 -9.789 -11.160 -12.722 1.00 0.00 O ATOM 721 OE2 GLU A 45 -8.122 -11.167 -11.297 1.00 0.00 O ATOM 0 H GLU A 45 -9.757 -6.022 -11.105 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.573 -7.724 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.219 -8.205 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.765 -8.276 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.806 -10.186 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.130 -10.162 -10.820 1.00 0.00 H new ATOM 728 N ASN A 46 -8.914 -7.208 -8.088 1.00 0.00 N ATOM 729 CA ASN A 46 -8.270 -7.467 -6.802 1.00 0.00 C ATOM 730 C ASN A 46 -9.177 -7.073 -5.638 1.00 0.00 C ATOM 731 O ASN A 46 -8.960 -7.489 -4.499 1.00 0.00 O ATOM 732 CB ASN A 46 -6.945 -6.702 -6.708 1.00 0.00 C ATOM 733 CG ASN A 46 -5.957 -7.084 -7.799 1.00 0.00 C ATOM 734 OD1 ASN A 46 -5.980 -8.341 -8.217 1.00 0.00 O flip ATOM 735 ND2 ASN A 46 -5.171 -6.256 -8.257 1.00 0.00 N flip ATOM 0 H ASN A 46 -8.495 -6.446 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.075 -8.537 -6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.145 -5.632 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.492 -6.889 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.182 -5.297 -7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.508 -6.529 -8.983 1.00 0.00 H new ATOM 742 N GLY A 47 -10.191 -6.264 -5.924 1.00 0.00 N ATOM 743 CA GLY A 47 -11.088 -5.780 -4.889 1.00 0.00 C ATOM 744 C GLY A 47 -10.533 -4.559 -4.185 1.00 0.00 C ATOM 745 O GLY A 47 -11.274 -3.649 -3.815 1.00 0.00 O ATOM 0 H GLY A 47 -10.410 -5.932 -6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.054 -5.536 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.262 -6.572 -4.160 1.00 0.00 H new ATOM 749 N ASP A 48 -9.223 -4.528 -4.023 1.00 0.00 N ATOM 750 CA ASP A 48 -8.545 -3.393 -3.423 1.00 0.00 C ATOM 751 C ASP A 48 -7.234 -3.148 -4.147 1.00 0.00 C ATOM 752 O ASP A 48 -6.691 -4.049 -4.785 1.00 0.00 O ATOM 753 CB ASP A 48 -8.299 -3.635 -1.930 1.00 0.00 C ATOM 754 CG ASP A 48 -7.585 -2.477 -1.261 1.00 0.00 C ATOM 755 OD1 ASP A 48 -6.555 -2.710 -0.594 1.00 0.00 O ATOM 756 OD2 ASP A 48 -8.039 -1.323 -1.413 1.00 0.00 O ATOM 0 H ASP A 48 -8.600 -5.286 -4.303 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.177 -2.510 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.253 -3.805 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.708 -4.542 -1.805 1.00 0.00 H new ATOM 761 N VAL A 49 -6.738 -1.933 -4.055 1.00 0.00 N ATOM 762 CA VAL A 49 -5.538 -1.542 -4.765 1.00 0.00 C ATOM 763 C VAL A 49 -4.315 -1.642 -3.860 1.00 0.00 C ATOM 764 O VAL A 49 -4.038 -0.747 -3.069 1.00 0.00 O ATOM 765 CB VAL A 49 -5.667 -0.113 -5.345 1.00 0.00 C ATOM 766 CG1 VAL A 49 -6.414 -0.143 -6.669 1.00 0.00 C ATOM 767 CG2 VAL A 49 -6.383 0.821 -4.370 1.00 0.00 C ATOM 0 H VAL A 49 -7.152 -1.192 -3.490 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.409 -2.233 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.659 0.269 -5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.496 0.870 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.871 -0.766 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.412 -0.554 -6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.457 1.816 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.383 0.438 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.820 0.875 -3.438 1.00 0.00 H new ATOM 777 N HIS A 50 -3.599 -2.752 -3.979 1.00 0.00 N ATOM 778 CA HIS A 50 -2.435 -3.023 -3.145 1.00 0.00 C ATOM 779 C HIS A 50 -1.196 -3.210 -4.015 1.00 0.00 C ATOM 780 O HIS A 50 -1.109 -4.170 -4.780 1.00 0.00 O ATOM 781 CB HIS A 50 -2.683 -4.284 -2.307 1.00 0.00 C ATOM 782 CG HIS A 50 -1.629 -4.565 -1.277 1.00 0.00 C ATOM 783 ND1 HIS A 50 -1.840 -4.391 0.069 1.00 0.00 N ATOM 784 CD2 HIS A 50 -0.364 -5.037 -1.398 1.00 0.00 C ATOM 785 CE1 HIS A 50 -0.756 -4.739 0.734 1.00 0.00 C ATOM 786 NE2 HIS A 50 0.158 -5.138 -0.132 1.00 0.00 N ATOM 0 H HIS A 50 -3.807 -3.488 -4.654 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.270 -2.176 -2.479 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.646 -4.188 -1.806 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.756 -5.141 -2.977 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -2.703 -4.046 0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.140 -5.287 -2.320 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.636 -4.704 1.807 1.00 0.00 H new ATOM 795 N VAL A 51 -0.242 -2.299 -3.886 1.00 0.00 N ATOM 796 CA VAL A 51 0.985 -2.351 -4.671 1.00 0.00 C ATOM 797 C VAL A 51 2.214 -2.154 -3.790 1.00 0.00 C ATOM 798 O VAL A 51 2.180 -1.405 -2.813 1.00 0.00 O ATOM 799 CB VAL A 51 0.990 -1.295 -5.793 1.00 0.00 C ATOM 800 CG1 VAL A 51 0.068 -1.695 -6.923 1.00 0.00 C ATOM 801 CG2 VAL A 51 0.573 0.053 -5.270 1.00 0.00 C ATOM 0 H VAL A 51 -0.294 -1.510 -3.241 1.00 0.00 H new ATOM 0 HA VAL A 51 1.023 -3.342 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 51 2.011 -1.233 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.092 -0.931 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.396 -2.647 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.949 -1.795 -6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.586 0.779 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.434 -0.012 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.265 0.370 -4.490 1.00 0.00 H new ATOM 811 N LEU A 52 3.286 -2.850 -4.125 1.00 0.00 N ATOM 812 CA LEU A 52 4.535 -2.760 -3.377 1.00 0.00 C ATOM 813 C LEU A 52 5.562 -1.940 -4.152 1.00 0.00 C ATOM 814 O LEU A 52 5.706 -2.100 -5.366 1.00 0.00 O ATOM 815 CB LEU A 52 5.087 -4.157 -3.095 1.00 0.00 C ATOM 816 CG LEU A 52 4.150 -5.090 -2.329 1.00 0.00 C ATOM 817 CD1 LEU A 52 4.791 -6.454 -2.168 1.00 0.00 C ATOM 818 CD2 LEU A 52 3.800 -4.507 -0.969 1.00 0.00 C ATOM 0 H LEU A 52 3.319 -3.491 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 52 4.333 -2.263 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.343 -4.627 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.013 -4.056 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 52 3.228 -5.198 -2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.115 -7.111 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.994 -6.879 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.726 -6.354 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.132 -5.188 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.711 -4.369 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.305 -3.545 -1.102 1.00 0.00 H new ATOM 830 N THR A 53 6.273 -1.063 -3.456 1.00 0.00 N ATOM 831 CA THR A 53 7.235 -0.180 -4.102 1.00 0.00 C ATOM 832 C THR A 53 8.407 0.129 -3.161 1.00 0.00 C ATOM 833 O THR A 53 8.528 -0.476 -2.091 1.00 0.00 O ATOM 834 CB THR A 53 6.545 1.131 -4.549 1.00 0.00 C ATOM 835 OG1 THR A 53 7.427 1.916 -5.361 1.00 0.00 O ATOM 836 CG2 THR A 53 6.096 1.948 -3.348 1.00 0.00 C ATOM 0 H THR A 53 6.202 -0.944 -2.445 1.00 0.00 H new ATOM 0 HA THR A 53 7.628 -0.688 -4.983 1.00 0.00 H new ATOM 0 HB THR A 53 5.668 0.858 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.973 2.740 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.614 2.864 -3.691 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.390 1.366 -2.756 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.962 2.200 -2.736 1.00 0.00 H new ATOM 844 N ILE A 54 9.265 1.061 -3.571 1.00 0.00 N ATOM 845 CA ILE A 54 10.440 1.441 -2.798 1.00 0.00 C ATOM 846 C ILE A 54 10.555 2.969 -2.688 1.00 0.00 C ATOM 847 O ILE A 54 10.719 3.674 -3.686 1.00 0.00 O ATOM 848 CB ILE A 54 11.729 0.813 -3.411 1.00 0.00 C ATOM 849 CG1 ILE A 54 12.028 -0.528 -2.735 1.00 0.00 C ATOM 850 CG2 ILE A 54 12.933 1.736 -3.302 1.00 0.00 C ATOM 851 CD1 ILE A 54 13.179 -1.290 -3.357 1.00 0.00 C ATOM 0 H ILE A 54 9.163 1.572 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 54 10.327 1.048 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 54 11.541 0.656 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.250 -0.351 -1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.133 -1.149 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.804 1.252 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.728 2.666 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.131 1.953 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.326 -2.228 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.953 -1.501 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.087 -0.691 -3.296 1.00 0.00 H new ATOM 863 N CYS A 55 10.401 3.470 -1.462 1.00 0.00 N ATOM 864 CA CYS A 55 10.566 4.894 -1.165 1.00 0.00 C ATOM 865 C CYS A 55 12.037 5.304 -1.189 1.00 0.00 C ATOM 866 O CYS A 55 12.914 4.483 -1.458 1.00 0.00 O ATOM 867 CB CYS A 55 9.973 5.234 0.208 1.00 0.00 C ATOM 868 SG CYS A 55 10.880 4.517 1.606 1.00 0.00 S ATOM 0 H CYS A 55 10.159 2.903 -0.649 1.00 0.00 H new ATOM 0 HA CYS A 55 10.035 5.447 -1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.948 6.318 0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.941 4.886 0.242 1.00 0.00 H new ATOM 873 N GLU A 56 12.297 6.563 -0.862 1.00 0.00 N ATOM 874 CA GLU A 56 13.642 7.116 -0.904 1.00 0.00 C ATOM 875 C GLU A 56 14.591 6.359 0.022 1.00 0.00 C ATOM 876 O GLU A 56 15.698 6.003 -0.376 1.00 0.00 O ATOM 877 CB GLU A 56 13.621 8.597 -0.510 1.00 0.00 C ATOM 878 CG GLU A 56 12.860 9.502 -1.470 1.00 0.00 C ATOM 879 CD GLU A 56 11.383 9.178 -1.554 1.00 0.00 C ATOM 880 OE1 GLU A 56 10.691 9.263 -0.517 1.00 0.00 O ATOM 881 OE2 GLU A 56 10.907 8.829 -2.653 1.00 0.00 O ATOM 0 H GLU A 56 11.583 7.227 -0.561 1.00 0.00 H new ATOM 0 HA GLU A 56 14.005 7.012 -1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.178 8.688 0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.648 8.953 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.980 10.538 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.300 9.418 -2.464 1.00 0.00 H new ATOM 888 N ASP A 57 14.137 6.101 1.246 1.00 0.00 N ATOM 889 CA ASP A 57 14.981 5.497 2.282 1.00 0.00 C ATOM 890 C ASP A 57 15.533 4.131 1.862 1.00 0.00 C ATOM 891 O ASP A 57 16.734 3.886 1.963 1.00 0.00 O ATOM 892 CB ASP A 57 14.200 5.361 3.590 1.00 0.00 C ATOM 893 CG ASP A 57 14.979 4.611 4.653 1.00 0.00 C ATOM 894 OD1 ASP A 57 15.861 5.223 5.296 1.00 0.00 O ATOM 895 OD2 ASP A 57 14.706 3.407 4.853 1.00 0.00 O ATOM 0 H ASP A 57 13.184 6.301 1.549 1.00 0.00 H new ATOM 0 HA ASP A 57 15.831 6.163 2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.945 6.353 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.261 4.842 3.397 1.00 0.00 H new ATOM 900 N CYS A 58 14.668 3.247 1.383 1.00 0.00 N ATOM 901 CA CYS A 58 15.106 1.908 0.992 1.00 0.00 C ATOM 902 C CYS A 58 15.868 1.962 -0.328 1.00 0.00 C ATOM 903 O CYS A 58 16.863 1.264 -0.514 1.00 0.00 O ATOM 904 CB CYS A 58 13.916 0.957 0.904 1.00 0.00 C ATOM 905 SG CYS A 58 12.533 1.616 -0.041 1.00 0.00 S ATOM 0 H CYS A 58 13.672 3.426 1.256 1.00 0.00 H new ATOM 0 HA CYS A 58 15.782 1.526 1.757 1.00 0.00 H new ATOM 0 HB2 CYS A 58 14.242 0.022 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 58 13.576 0.720 1.912 1.00 0.00 H new ATOM 910 N GLN A 59 15.391 2.811 -1.237 1.00 0.00 N ATOM 911 CA GLN A 59 16.110 3.127 -2.468 1.00 0.00 C ATOM 912 C GLN A 59 17.545 3.551 -2.168 1.00 0.00 C ATOM 913 O GLN A 59 18.456 3.277 -2.941 1.00 0.00 O ATOM 914 CB GLN A 59 15.382 4.245 -3.234 1.00 0.00 C ATOM 915 CG GLN A 59 16.096 4.724 -4.493 1.00 0.00 C ATOM 916 CD GLN A 59 16.853 6.027 -4.296 1.00 0.00 C ATOM 917 OE1 GLN A 59 16.292 7.113 -4.442 1.00 0.00 O ATOM 918 NE2 GLN A 59 18.133 5.932 -3.986 1.00 0.00 N ATOM 0 H GLN A 59 14.499 3.297 -1.141 1.00 0.00 H new ATOM 0 HA GLN A 59 16.139 2.229 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.388 3.891 -3.509 1.00 0.00 H new ATOM 0 HB3 GLN A 59 15.244 5.095 -2.565 1.00 0.00 H new ATOM 0 HG2 GLN A 59 16.793 3.953 -4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.364 4.854 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 59 18.564 5.014 -3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.691 6.776 -3.859 1.00 0.00 H new ATOM 927 N GLU A 60 17.738 4.228 -1.049 1.00 0.00 N ATOM 928 CA GLU A 60 19.042 4.727 -0.672 1.00 0.00 C ATOM 929 C GLU A 60 19.997 3.603 -0.286 1.00 0.00 C ATOM 930 O GLU A 60 21.159 3.593 -0.697 1.00 0.00 O ATOM 931 CB GLU A 60 18.880 5.692 0.488 1.00 0.00 C ATOM 932 CG GLU A 60 18.904 7.146 0.089 1.00 0.00 C ATOM 933 CD GLU A 60 20.303 7.714 0.028 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.872 8.005 1.101 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.828 7.896 -1.086 1.00 0.00 O ATOM 0 H GLU A 60 16.997 4.444 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 60 19.477 5.235 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.937 5.481 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.676 5.512 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.428 7.258 -0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.313 7.723 0.801 1.00 0.00 H new ATOM 942 N ALA A 61 19.496 2.657 0.498 1.00 0.00 N ATOM 943 CA ALA A 61 20.283 1.499 0.902 1.00 0.00 C ATOM 944 C ALA A 61 20.575 0.655 -0.319 1.00 0.00 C ATOM 945 O ALA A 61 21.596 -0.017 -0.424 1.00 0.00 O ATOM 946 CB ALA A 61 19.538 0.686 1.948 1.00 0.00 C ATOM 0 H ALA A 61 18.545 2.669 0.868 1.00 0.00 H new ATOM 0 HA ALA A 61 21.221 1.833 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 61 20.141 -0.175 2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.348 1.307 2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.590 0.342 1.534 1.00 0.00 H new ATOM 952 N LEU A 62 19.626 0.705 -1.225 1.00 0.00 N ATOM 953 CA LEU A 62 19.685 0.010 -2.483 1.00 0.00 C ATOM 954 C LEU A 62 20.759 0.586 -3.401 1.00 0.00 C ATOM 955 O LEU A 62 21.667 -0.118 -3.852 1.00 0.00 O ATOM 956 CB LEU A 62 18.326 0.162 -3.142 1.00 0.00 C ATOM 957 CG LEU A 62 17.648 -1.141 -3.466 1.00 0.00 C ATOM 958 CD1 LEU A 62 16.929 -1.689 -2.243 1.00 0.00 C ATOM 959 CD2 LEU A 62 16.696 -0.989 -4.641 1.00 0.00 C ATOM 0 H LEU A 62 18.770 1.246 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 62 19.938 -1.036 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.679 0.742 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.443 0.736 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 62 18.415 -1.858 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.445 -2.632 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.649 -1.856 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.177 -0.973 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.221 -1.947 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 62 15.932 -0.251 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.251 -0.659 -5.519 1.00 0.00 H new ATOM 971 N ASP A 63 20.609 1.866 -3.685 1.00 0.00 N ATOM 972 CA ASP A 63 21.493 2.602 -4.590 1.00 0.00 C ATOM 973 C ASP A 63 22.940 2.583 -4.107 1.00 0.00 C ATOM 974 O ASP A 63 23.862 2.547 -4.924 1.00 0.00 O ATOM 975 CB ASP A 63 20.983 4.039 -4.732 1.00 0.00 C ATOM 976 CG ASP A 63 21.757 4.859 -5.747 1.00 0.00 C ATOM 977 OD1 ASP A 63 22.113 6.014 -5.435 1.00 0.00 O ATOM 978 OD2 ASP A 63 21.993 4.363 -6.873 1.00 0.00 O ATOM 0 H ASP A 63 19.862 2.438 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 63 21.480 2.113 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.932 4.016 -5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.036 4.532 -3.762 1.00 0.00 H new ATOM 983 N ARG A 64 23.127 2.595 -2.791 1.00 0.00 N ATOM 984 CA ARG A 64 24.443 2.424 -2.181 1.00 0.00 C ATOM 985 C ARG A 64 25.378 3.596 -2.487 1.00 0.00 C ATOM 986 O ARG A 64 25.970 3.677 -3.569 1.00 0.00 O ATOM 987 CB ARG A 64 25.090 1.119 -2.650 1.00 0.00 C ATOM 988 CG ARG A 64 26.412 0.835 -1.970 1.00 0.00 C ATOM 989 CD ARG A 64 27.231 -0.187 -2.737 1.00 0.00 C ATOM 990 NE ARG A 64 27.658 0.332 -4.034 1.00 0.00 N ATOM 991 CZ ARG A 64 28.076 -0.426 -5.044 1.00 0.00 C ATOM 992 NH1 ARG A 64 28.138 -1.747 -4.912 1.00 0.00 N ATOM 993 NH2 ARG A 64 28.431 0.143 -6.186 1.00 0.00 N ATOM 0 H ARG A 64 22.372 2.723 -2.117 1.00 0.00 H new ATOM 0 HA ARG A 64 24.288 2.389 -1.103 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.405 0.292 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.245 1.164 -3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 64 26.980 1.761 -1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 64 26.230 0.471 -0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 64 28.106 -0.468 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 64 26.641 -1.092 -2.883 1.00 0.00 H new ATOM 0 HE ARG A 64 27.634 1.342 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.864 -2.185 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 64 28.459 -2.323 -5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 64 28.383 1.157 -6.287 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.752 -0.433 -6.964 1.00 0.00 H new ATOM 1007 N ASN A 65 25.527 4.483 -1.516 1.00 0.00 N ATOM 1008 CA ASN A 65 26.436 5.616 -1.642 1.00 0.00 C ATOM 1009 C ASN A 65 26.869 6.124 -0.260 1.00 0.00 C ATOM 1010 O ASN A 65 28.063 6.108 0.042 1.00 0.00 O ATOM 1011 CB ASN A 65 25.817 6.737 -2.495 1.00 0.00 C ATOM 1012 CG ASN A 65 26.697 7.972 -2.585 1.00 0.00 C ATOM 1013 OD1 ASN A 65 26.600 8.885 -1.763 1.00 0.00 O ATOM 1014 ND2 ASN A 65 27.557 8.017 -3.590 1.00 0.00 N ATOM 0 H ASN A 65 25.028 4.441 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 65 27.331 5.276 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 65 25.628 6.359 -3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 65 24.852 7.016 -2.073 1.00 0.00 H new ATOM 0 HD21 ASN A 65 28.167 8.826 -3.703 1.00 0.00 H new ATOM 0 HD22 ASN A 65 27.609 7.242 -4.251 1.00 0.00 H new ATOM 1021 N PRO A 66 25.936 6.577 0.615 1.00 0.00 N ATOM 1022 CA PRO A 66 26.294 6.968 1.987 1.00 0.00 C ATOM 1023 C PRO A 66 26.611 5.765 2.873 1.00 0.00 C ATOM 1024 O PRO A 66 27.416 5.854 3.800 1.00 0.00 O ATOM 1025 CB PRO A 66 25.038 7.677 2.493 1.00 0.00 C ATOM 1026 CG PRO A 66 23.930 7.063 1.715 1.00 0.00 C ATOM 1027 CD PRO A 66 24.495 6.803 0.350 1.00 0.00 C ATOM 0 HA PRO A 66 27.192 7.585 2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 66 24.902 7.528 3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 66 25.094 8.753 2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 66 23.588 6.139 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 66 23.070 7.731 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 66 24.031 5.935 -0.119 1.00 0.00 H new ATOM 0 HD3 PRO A 66 24.337 7.649 -0.319 1.00 0.00 H new ATOM 1035 N HIS A 67 25.975 4.637 2.578 1.00 0.00 N ATOM 1036 CA HIS A 67 26.136 3.436 3.367 1.00 0.00 C ATOM 1037 C HIS A 67 25.799 2.215 2.523 1.00 0.00 C ATOM 1038 O HIS A 67 25.601 2.333 1.311 1.00 0.00 O ATOM 1039 CB HIS A 67 25.258 3.487 4.629 1.00 0.00 C ATOM 1040 CG HIS A 67 23.784 3.566 4.366 1.00 0.00 C ATOM 1041 ND1 HIS A 67 22.987 4.632 4.126 1.00 0.00 N flip ATOM 1042 CD2 HIS A 67 22.959 2.464 4.343 1.00 0.00 C flip ATOM 1043 CE1 HIS A 67 21.711 4.160 3.962 1.00 0.00 C flip ATOM 1044 NE2 HIS A 67 21.721 2.850 4.099 1.00 0.00 N flip ATOM 0 H HIS A 67 25.338 4.536 1.788 1.00 0.00 H new ATOM 0 HA HIS A 67 27.175 3.365 3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 67 25.459 2.600 5.230 1.00 0.00 H new ATOM 0 HB3 HIS A 67 25.553 4.350 5.226 1.00 0.00 H new ATOM 0 HD2 HIS A 67 23.276 1.443 4.500 1.00 0.00 H new ATOM 0 HE1 HIS A 67 20.840 4.763 3.754 1.00 0.00 H new ATOM 0 HE2 HIS A 67 20.909 2.237 4.028 1.00 0.00 H new ATOM 1053 N TYR A 68 25.707 1.072 3.191 1.00 0.00 N ATOM 1054 CA TYR A 68 25.513 -0.235 2.554 1.00 0.00 C ATOM 1055 C TYR A 68 26.761 -0.635 1.782 1.00 0.00 C ATOM 1056 O TYR A 68 27.111 -0.010 0.784 1.00 0.00 O ATOM 1057 CB TYR A 68 24.288 -0.253 1.633 1.00 0.00 C ATOM 1058 CG TYR A 68 23.968 -1.632 1.093 1.00 0.00 C ATOM 1059 CD1 TYR A 68 24.215 -1.959 -0.236 1.00 0.00 C ATOM 1060 CD2 TYR A 68 23.423 -2.606 1.916 1.00 0.00 C ATOM 1061 CE1 TYR A 68 23.925 -3.220 -0.725 1.00 0.00 C ATOM 1062 CE2 TYR A 68 23.132 -3.867 1.436 1.00 0.00 C ATOM 1063 CZ TYR A 68 23.383 -4.169 0.116 1.00 0.00 C ATOM 1064 OH TYR A 68 23.089 -5.427 -0.364 1.00 0.00 O ATOM 0 H TYR A 68 25.765 1.021 4.208 1.00 0.00 H new ATOM 0 HA TYR A 68 25.332 -0.960 3.347 1.00 0.00 H new ATOM 0 HB2 TYR A 68 23.424 0.125 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 68 24.459 0.426 0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 68 24.640 -1.217 -0.896 1.00 0.00 H new ATOM 0 HD2 TYR A 68 23.223 -2.374 2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 68 24.122 -3.460 -1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 68 22.709 -4.613 2.092 1.00 0.00 H new ATOM 0 HH TYR A 68 22.715 -5.973 0.358 1.00 0.00 H new ATOM 1074 N HIS A 69 27.431 -1.677 2.262 1.00 0.00 N ATOM 1075 CA HIS A 69 28.686 -2.138 1.677 1.00 0.00 C ATOM 1076 C HIS A 69 29.653 -0.962 1.591 1.00 0.00 C ATOM 1077 O HIS A 69 30.147 -0.620 0.515 1.00 0.00 O ATOM 1078 CB HIS A 69 28.445 -2.754 0.292 1.00 0.00 C ATOM 1079 CG HIS A 69 29.539 -3.671 -0.166 1.00 0.00 C ATOM 1080 ND1 HIS A 69 30.713 -3.227 -0.733 1.00 0.00 N ATOM 1081 CD2 HIS A 69 29.623 -5.022 -0.144 1.00 0.00 C ATOM 1082 CE1 HIS A 69 31.470 -4.263 -1.043 1.00 0.00 C ATOM 1083 NE2 HIS A 69 30.831 -5.362 -0.697 1.00 0.00 N ATOM 0 H HIS A 69 27.121 -2.225 3.065 1.00 0.00 H new ATOM 0 HA HIS A 69 29.119 -2.914 2.308 1.00 0.00 H new ATOM 0 HB2 HIS A 69 27.506 -3.306 0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 69 28.329 -1.951 -0.436 1.00 0.00 H new ATOM 0 HD1 HIS A 69 30.959 -2.250 -0.889 1.00 0.00 H new ATOM 0 HD2 HIS A 69 28.878 -5.704 0.238 1.00 0.00 H new ATOM 0 HE1 HIS A 69 32.447 -4.218 -1.502 1.00 0.00 H new ATOM 1092 N GLU A 70 29.891 -0.345 2.742 1.00 0.00 N ATOM 1093 CA GLU A 70 30.628 0.911 2.822 1.00 0.00 C ATOM 1094 C GLU A 70 32.055 0.761 2.293 1.00 0.00 C ATOM 1095 O GLU A 70 32.341 1.097 1.144 1.00 0.00 O ATOM 1096 CB GLU A 70 30.640 1.418 4.271 1.00 0.00 C ATOM 1097 CG GLU A 70 29.258 1.694 4.837 1.00 0.00 C ATOM 1098 CD GLU A 70 29.302 2.110 6.291 1.00 0.00 C ATOM 1099 OE1 GLU A 70 29.462 3.318 6.564 1.00 0.00 O ATOM 1100 OE2 GLU A 70 29.186 1.230 7.173 1.00 0.00 O ATOM 0 H GLU A 70 29.579 -0.701 3.646 1.00 0.00 H new ATOM 0 HA GLU A 70 30.122 1.642 2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 70 31.139 0.680 4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 70 31.232 2.332 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 70 28.779 2.479 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 70 28.642 0.800 4.736 1.00 0.00 H new ATOM 1107 N TYR A 71 32.939 0.242 3.128 1.00 0.00 N ATOM 1108 CA TYR A 71 34.327 0.035 2.745 1.00 0.00 C ATOM 1109 C TYR A 71 34.528 -1.394 2.260 1.00 0.00 C ATOM 1110 O TYR A 71 35.302 -1.648 1.340 1.00 0.00 O ATOM 1111 CB TYR A 71 35.256 0.352 3.925 1.00 0.00 C ATOM 1112 CG TYR A 71 34.864 -0.324 5.224 1.00 0.00 C ATOM 1113 CD1 TYR A 71 35.520 -1.463 5.664 1.00 0.00 C ATOM 1114 CD2 TYR A 71 33.835 0.181 6.011 1.00 0.00 C ATOM 1115 CE1 TYR A 71 35.161 -2.081 6.847 1.00 0.00 C ATOM 1116 CE2 TYR A 71 33.472 -0.430 7.193 1.00 0.00 C ATOM 1117 CZ TYR A 71 34.138 -1.560 7.607 1.00 0.00 C ATOM 1118 OH TYR A 71 33.774 -2.176 8.782 1.00 0.00 O ATOM 0 H TYR A 71 32.719 -0.046 4.082 1.00 0.00 H new ATOM 0 HA TYR A 71 34.576 0.711 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 71 36.271 0.052 3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 71 35.272 1.431 4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 71 36.325 -1.874 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 71 33.310 1.069 5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 71 35.681 -2.969 7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 71 32.669 -0.023 7.790 1.00 0.00 H new ATOM 0 HH TYR A 71 33.037 -1.681 9.196 1.00 0.00 H new ATOM 1128 N HIS A 72 33.812 -2.315 2.889 1.00 0.00 N ATOM 1129 CA HIS A 72 33.827 -3.727 2.519 1.00 0.00 C ATOM 1130 C HIS A 72 32.510 -4.358 2.933 1.00 0.00 C ATOM 1131 O HIS A 72 31.834 -5.006 2.140 1.00 0.00 O ATOM 1132 CB HIS A 72 34.986 -4.480 3.191 1.00 0.00 C ATOM 1133 CG HIS A 72 36.338 -4.189 2.610 1.00 0.00 C ATOM 1134 ND1 HIS A 72 37.399 -3.743 3.365 1.00 0.00 N ATOM 1135 CD2 HIS A 72 36.803 -4.298 1.342 1.00 0.00 C ATOM 1136 CE1 HIS A 72 38.455 -3.585 2.588 1.00 0.00 C ATOM 1137 NE2 HIS A 72 38.120 -3.917 1.357 1.00 0.00 N ATOM 0 H HIS A 72 33.199 -2.104 3.677 1.00 0.00 H new ATOM 0 HA HIS A 72 33.966 -3.796 1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 72 34.999 -4.229 4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 72 34.797 -5.551 3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 72 36.241 -4.624 0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 72 39.428 -3.242 2.907 1.00 0.00 H new ATOM 0 HE2 HIS A 72 38.740 -3.894 0.547 1.00 0.00 H new ATOM 1146 N THR A 73 32.156 -4.149 4.189 1.00 0.00 N ATOM 1147 CA THR A 73 30.914 -4.653 4.732 1.00 0.00 C ATOM 1148 C THR A 73 29.788 -3.635 4.571 1.00 0.00 C ATOM 1149 O THR A 73 28.718 -4.008 4.049 1.00 0.00 O ATOM 1150 CB THR A 73 31.093 -5.021 6.212 1.00 0.00 C ATOM 1151 OG1 THR A 73 31.971 -4.075 6.842 1.00 0.00 O ATOM 1152 CG2 THR A 73 31.663 -6.422 6.353 1.00 0.00 C ATOM 1153 OXT THR A 73 29.988 -2.454 4.935 1.00 0.00 O ATOM 0 H THR A 73 32.722 -3.626 4.857 1.00 0.00 H new ATOM 0 HA THR A 73 30.640 -5.549 4.175 1.00 0.00 H new ATOM 0 HB THR A 73 30.117 -4.994 6.697 1.00 0.00 H new ATOM 0 HG1 THR A 73 32.083 -4.311 7.787 1.00 0.00 H new ATOM 0 HG21 THR A 73 31.782 -6.662 7.410 1.00 0.00 H new ATOM 0 HG22 THR A 73 30.984 -7.139 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 73 32.633 -6.472 5.859 1.00 0.00 H new TER 1161 THR A 73 HETATM 1162 ZN ZN A 101 10.847 2.243 1.377 1.00 0.00 ZN