USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 732 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 Single : A 31 THR OG1 : rot 150:sc= -0.114 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.554 K(o=0.55,f=-0.00087) USER MOD Single : A 45 LYS NZ :NH3+ -143:sc= 1.22 (180deg=0.976) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 166:sc= -0.14 (180deg=-0.488) USER MOD Single : A 51 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 1.14 (180deg=0.765) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot -88:sc= 1.29 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.58) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.597 K(o=0.6,f=-0.34) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl -164:sc= -0.0485 (180deg=-0.237) USER MOD Single : B 51 ASN : amide:sc= 0.432 X(o=0.43,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.403) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -6.830 14.263 -12.815 1.00 0.00 N ATOM 2 CA THR A 31 -6.858 12.800 -12.726 1.00 0.00 C ATOM 3 C THR A 31 -6.404 12.235 -11.366 1.00 0.00 C ATOM 4 O THR A 31 -5.870 12.952 -10.512 1.00 0.00 O ATOM 5 CB THR A 31 -6.060 12.193 -13.896 1.00 0.00 C ATOM 6 OG1 THR A 31 -6.260 10.801 -13.976 1.00 0.00 O ATOM 7 CG2 THR A 31 -4.554 12.456 -13.831 1.00 0.00 C ATOM 0 HA THR A 31 -7.903 12.502 -12.805 1.00 0.00 H new ATOM 0 HB THR A 31 -6.446 12.696 -14.783 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.181 10.512 -14.909 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.067 11.995 -14.690 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.371 13.531 -13.843 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.149 12.030 -12.913 1.00 0.00 H new ATOM 15 N ARG A 32 -6.581 10.923 -11.158 1.00 0.00 N ATOM 16 CA ARG A 32 -6.113 10.166 -9.977 1.00 0.00 C ATOM 17 C ARG A 32 -4.624 9.851 -10.118 1.00 0.00 C ATOM 18 O ARG A 32 -4.202 8.735 -10.427 1.00 0.00 O ATOM 19 CB ARG A 32 -7.003 8.935 -9.725 1.00 0.00 C ATOM 20 CG ARG A 32 -8.222 9.223 -8.830 1.00 0.00 C ATOM 21 CD ARG A 32 -8.919 10.571 -9.066 1.00 0.00 C ATOM 22 NE ARG A 32 -10.241 10.605 -8.406 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.507 10.906 -7.147 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.587 11.280 -6.303 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.725 10.822 -6.703 1.00 0.00 N ATOM 0 H ARG A 32 -7.072 10.333 -11.830 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.211 10.776 -9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.350 8.547 -10.683 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.402 8.152 -9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.952 8.427 -8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.904 9.177 -7.789 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.296 11.379 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.038 10.741 -10.136 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.042 10.368 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.615 11.350 -6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.839 11.503 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.476 10.524 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.931 11.054 -5.731 1.00 0.00 H new ATOM 39 N ALA A 33 -3.851 10.910 -9.917 1.00 0.00 N ATOM 40 CA ALA A 33 -2.403 10.990 -9.918 1.00 0.00 C ATOM 41 C ALA A 33 -1.776 10.185 -8.765 1.00 0.00 C ATOM 42 O ALA A 33 -2.092 10.400 -7.592 1.00 0.00 O ATOM 43 CB ALA A 33 -2.074 12.483 -9.848 1.00 0.00 C ATOM 0 H ALA A 33 -4.267 11.822 -9.731 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.978 10.541 -10.816 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.992 12.617 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.500 12.991 -10.713 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.495 12.906 -8.936 1.00 0.00 H new ATOM 49 N VAL A 34 -0.887 9.250 -9.109 1.00 0.00 N ATOM 50 CA VAL A 34 -0.248 8.274 -8.219 1.00 0.00 C ATOM 51 C VAL A 34 1.218 8.144 -8.591 1.00 0.00 C ATOM 52 O VAL A 34 1.562 7.463 -9.552 1.00 0.00 O ATOM 53 CB VAL A 34 -0.968 6.913 -8.269 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.204 5.809 -7.532 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.341 7.030 -7.591 1.00 0.00 C ATOM 0 H VAL A 34 -0.574 9.147 -10.074 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.321 8.628 -7.191 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.048 6.649 -9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.759 4.874 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.779 5.682 -7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.087 6.085 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.848 6.066 -7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.209 7.331 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.941 7.776 -8.112 1.00 0.00 H new ATOM 65 N SER A 35 2.074 8.821 -7.828 1.00 0.00 N ATOM 66 CA SER A 35 3.530 8.794 -7.968 1.00 0.00 C ATOM 67 C SER A 35 4.187 8.035 -6.816 1.00 0.00 C ATOM 68 O SER A 35 4.115 8.463 -5.661 1.00 0.00 O ATOM 69 CB SER A 35 4.055 10.219 -8.092 1.00 0.00 C ATOM 70 OG SER A 35 5.453 10.234 -8.337 1.00 0.00 O ATOM 0 H SER A 35 1.762 9.425 -7.068 1.00 0.00 H new ATOM 0 HA SER A 35 3.791 8.253 -8.877 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.536 10.731 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.838 10.770 -7.177 1.00 0.00 H new ATOM 0 HG SER A 35 5.762 11.161 -8.414 1.00 0.00 H new ATOM 76 N LEU A 36 4.812 6.898 -7.134 1.00 0.00 N ATOM 77 CA LEU A 36 5.508 6.019 -6.193 1.00 0.00 C ATOM 78 C LEU A 36 7.020 5.953 -6.457 1.00 0.00 C ATOM 79 O LEU A 36 7.538 6.452 -7.458 1.00 0.00 O ATOM 80 CB LEU A 36 4.869 4.605 -6.197 1.00 0.00 C ATOM 81 CG LEU A 36 3.862 4.292 -5.074 1.00 0.00 C ATOM 82 CD1 LEU A 36 4.464 4.519 -3.684 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.567 5.083 -5.211 1.00 0.00 C ATOM 0 H LEU A 36 4.848 6.552 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 36 5.390 6.449 -5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.366 4.463 -7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.672 3.870 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 36 3.623 3.234 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.720 4.286 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.331 3.872 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.770 5.561 -3.586 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.894 4.823 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.787 6.150 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.092 4.842 -6.162 1.00 0.00 H new ATOM 95 N TYR A 37 7.703 5.299 -5.523 1.00 0.00 N ATOM 96 CA TYR A 37 9.155 5.221 -5.367 1.00 0.00 C ATOM 97 C TYR A 37 9.564 3.745 -5.266 1.00 0.00 C ATOM 98 O TYR A 37 9.828 3.214 -4.183 1.00 0.00 O ATOM 99 CB TYR A 37 9.553 6.072 -4.149 1.00 0.00 C ATOM 100 CG TYR A 37 9.180 7.539 -4.288 1.00 0.00 C ATOM 101 CD1 TYR A 37 10.017 8.416 -5.006 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.969 8.016 -3.743 1.00 0.00 C ATOM 103 CE1 TYR A 37 9.650 9.765 -5.176 1.00 0.00 C ATOM 104 CE2 TYR A 37 7.592 9.362 -3.922 1.00 0.00 C ATOM 105 CZ TYR A 37 8.435 10.242 -4.638 1.00 0.00 C ATOM 106 OH TYR A 37 8.085 11.547 -4.810 1.00 0.00 O ATOM 0 H TYR A 37 7.220 4.768 -4.798 1.00 0.00 H new ATOM 0 HA TYR A 37 9.690 5.627 -6.226 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.073 5.666 -3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.629 5.992 -3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.943 8.053 -5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.329 7.347 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.299 10.436 -5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.659 9.721 -3.512 1.00 0.00 H new ATOM 0 HH TYR A 37 7.220 11.713 -4.380 1.00 0.00 H new ATOM 116 N PHE A 38 9.547 3.061 -6.410 1.00 0.00 N ATOM 117 CA PHE A 38 10.041 1.708 -6.602 1.00 0.00 C ATOM 118 C PHE A 38 11.583 1.705 -6.596 1.00 0.00 C ATOM 119 O PHE A 38 12.218 2.760 -6.512 1.00 0.00 O ATOM 120 CB PHE A 38 9.442 1.216 -7.928 1.00 0.00 C ATOM 121 CG PHE A 38 8.002 0.741 -7.810 1.00 0.00 C ATOM 122 CD1 PHE A 38 6.940 1.663 -7.733 1.00 0.00 C ATOM 123 CD2 PHE A 38 7.719 -0.636 -7.768 1.00 0.00 C ATOM 124 CE1 PHE A 38 5.612 1.211 -7.618 1.00 0.00 C ATOM 125 CE2 PHE A 38 6.396 -1.091 -7.651 1.00 0.00 C ATOM 126 CZ PHE A 38 5.339 -0.167 -7.569 1.00 0.00 C ATOM 0 H PHE A 38 9.168 3.461 -7.268 1.00 0.00 H new ATOM 0 HA PHE A 38 9.743 1.035 -5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.490 2.023 -8.660 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.054 0.400 -8.312 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.146 2.723 -7.762 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.527 -1.350 -7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.802 1.924 -7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.190 -2.151 -7.624 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.321 -0.515 -7.469 1.00 0.00 H new ATOM 136 N SER A 39 12.201 0.528 -6.707 1.00 0.00 N ATOM 137 CA SER A 39 13.658 0.370 -6.799 1.00 0.00 C ATOM 138 C SER A 39 14.051 -0.556 -7.947 1.00 0.00 C ATOM 139 O SER A 39 13.191 -1.170 -8.577 1.00 0.00 O ATOM 140 CB SER A 39 14.217 -0.088 -5.445 1.00 0.00 C ATOM 141 OG SER A 39 15.634 -0.005 -5.428 1.00 0.00 O ATOM 0 H SER A 39 11.697 -0.358 -6.736 1.00 0.00 H new ATOM 0 HA SER A 39 14.107 1.336 -7.032 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.803 0.530 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.906 -1.114 -5.247 1.00 0.00 H new ATOM 0 HG SER A 39 15.969 -0.300 -4.555 1.00 0.00 H new ATOM 147 N ASP A 40 15.346 -0.617 -8.249 1.00 0.00 N ATOM 148 CA ASP A 40 15.912 -1.221 -9.456 1.00 0.00 C ATOM 149 C ASP A 40 15.382 -2.627 -9.739 1.00 0.00 C ATOM 150 O ASP A 40 14.849 -2.861 -10.816 1.00 0.00 O ATOM 151 CB ASP A 40 17.446 -1.192 -9.380 1.00 0.00 C ATOM 152 CG ASP A 40 17.990 0.142 -9.907 1.00 0.00 C ATOM 153 OD1 ASP A 40 17.738 0.442 -11.099 1.00 0.00 O ATOM 154 OD2 ASP A 40 18.649 0.886 -9.144 1.00 0.00 O ATOM 0 H ASP A 40 16.062 -0.230 -7.633 1.00 0.00 H new ATOM 0 HA ASP A 40 15.585 -0.620 -10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.767 -1.339 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.860 -2.015 -9.963 1.00 0.00 H new ATOM 159 N GLU A 41 15.458 -3.555 -8.785 1.00 0.00 N ATOM 160 CA GLU A 41 14.983 -4.936 -8.959 1.00 0.00 C ATOM 161 C GLU A 41 13.498 -4.996 -9.348 1.00 0.00 C ATOM 162 O GLU A 41 13.120 -5.652 -10.320 1.00 0.00 O ATOM 163 CB GLU A 41 15.201 -5.713 -7.655 1.00 0.00 C ATOM 164 CG GLU A 41 16.676 -5.830 -7.263 1.00 0.00 C ATOM 165 CD GLU A 41 17.320 -7.121 -7.807 1.00 0.00 C ATOM 166 OE1 GLU A 41 17.655 -7.173 -9.015 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.502 -8.089 -7.027 1.00 0.00 O ATOM 0 H GLU A 41 15.853 -3.373 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 41 15.554 -5.383 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.656 -5.220 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.779 -6.713 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.221 -4.966 -7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.765 -5.811 -6.177 1.00 0.00 H new ATOM 174 N GLN A 42 12.666 -4.268 -8.598 1.00 0.00 N ATOM 175 CA GLN A 42 11.223 -4.124 -8.829 1.00 0.00 C ATOM 176 C GLN A 42 10.930 -3.551 -10.235 1.00 0.00 C ATOM 177 O GLN A 42 10.081 -4.067 -10.965 1.00 0.00 O ATOM 178 CB GLN A 42 10.585 -3.242 -7.738 1.00 0.00 C ATOM 179 CG GLN A 42 11.010 -3.542 -6.287 1.00 0.00 C ATOM 180 CD GLN A 42 10.781 -4.996 -5.870 1.00 0.00 C ATOM 181 OE1 GLN A 42 9.677 -5.513 -5.894 1.00 0.00 O ATOM 182 NE2 GLN A 42 11.805 -5.710 -5.450 1.00 0.00 N ATOM 0 H GLN A 42 12.988 -3.744 -7.785 1.00 0.00 H new ATOM 0 HA GLN A 42 10.777 -5.117 -8.777 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.823 -2.201 -7.956 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.502 -3.343 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.067 -3.301 -6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.457 -2.888 -5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.737 -5.297 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.666 -6.676 -5.153 1.00 0.00 H new ATOM 191 N TYR A 43 11.654 -2.499 -10.634 1.00 0.00 N ATOM 192 CA TYR A 43 11.506 -1.804 -11.921 1.00 0.00 C ATOM 193 C TYR A 43 11.950 -2.653 -13.109 1.00 0.00 C ATOM 194 O TYR A 43 11.282 -2.727 -14.137 1.00 0.00 O ATOM 195 CB TYR A 43 12.377 -0.551 -11.889 1.00 0.00 C ATOM 196 CG TYR A 43 11.973 0.515 -12.890 1.00 0.00 C ATOM 197 CD1 TYR A 43 10.950 1.425 -12.569 1.00 0.00 C ATOM 198 CD2 TYR A 43 12.631 0.608 -14.132 1.00 0.00 C ATOM 199 CE1 TYR A 43 10.624 2.462 -13.464 1.00 0.00 C ATOM 200 CE2 TYR A 43 12.282 1.623 -15.046 1.00 0.00 C ATOM 201 CZ TYR A 43 11.281 2.560 -14.709 1.00 0.00 C ATOM 202 OH TYR A 43 10.953 3.562 -15.570 1.00 0.00 O ATOM 0 H TYR A 43 12.385 -2.093 -10.050 1.00 0.00 H new ATOM 0 HA TYR A 43 10.448 -1.575 -12.051 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.342 -0.124 -10.887 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.412 -0.837 -12.078 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.414 1.328 -11.636 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.406 -0.101 -14.385 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.868 3.185 -13.197 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.780 1.684 -16.003 1.00 0.00 H new ATOM 0 HH TYR A 43 11.498 3.488 -16.381 1.00 0.00 H new ATOM 212 N GLN A 44 13.092 -3.308 -12.946 1.00 0.00 N ATOM 213 CA GLN A 44 13.680 -4.212 -13.933 1.00 0.00 C ATOM 214 C GLN A 44 12.770 -5.420 -14.186 1.00 0.00 C ATOM 215 O GLN A 44 12.618 -5.831 -15.336 1.00 0.00 O ATOM 216 CB GLN A 44 15.098 -4.656 -13.530 1.00 0.00 C ATOM 217 CG GLN A 44 16.222 -3.758 -14.085 1.00 0.00 C ATOM 218 CD GLN A 44 16.270 -2.333 -13.520 1.00 0.00 C ATOM 219 OE1 GLN A 44 15.492 -1.462 -13.879 1.00 0.00 O ATOM 220 NE2 GLN A 44 17.228 -2.021 -12.671 1.00 0.00 N ATOM 0 H GLN A 44 13.654 -3.224 -12.099 1.00 0.00 H new ATOM 0 HA GLN A 44 13.770 -3.658 -14.867 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.166 -4.674 -12.442 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.259 -5.677 -13.876 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.179 -4.241 -13.888 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.113 -3.697 -15.168 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.887 -2.735 -12.360 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.311 -1.065 -12.324 1.00 0.00 H new ATOM 229 N LYS A 45 12.093 -5.940 -13.150 1.00 0.00 N ATOM 230 CA LYS A 45 11.007 -6.920 -13.302 1.00 0.00 C ATOM 231 C LYS A 45 9.891 -6.389 -14.208 1.00 0.00 C ATOM 232 O LYS A 45 9.528 -7.053 -15.176 1.00 0.00 O ATOM 233 CB LYS A 45 10.460 -7.363 -11.930 1.00 0.00 C ATOM 234 CG LYS A 45 10.143 -8.867 -11.907 1.00 0.00 C ATOM 235 CD LYS A 45 11.415 -9.697 -11.678 1.00 0.00 C ATOM 236 CE LYS A 45 11.140 -11.189 -11.881 1.00 0.00 C ATOM 237 NZ LYS A 45 12.335 -12.004 -11.548 1.00 0.00 N ATOM 0 H LYS A 45 12.285 -5.691 -12.180 1.00 0.00 H new ATOM 0 HA LYS A 45 11.425 -7.801 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.191 -7.132 -11.155 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.558 -6.797 -11.697 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.421 -9.078 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.680 -9.159 -12.850 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.195 -9.371 -12.365 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.788 -9.526 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.301 -11.496 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.849 -11.371 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.404 -12.804 -12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.189 -11.416 -11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.250 -12.364 -10.576 1.00 0.00 H new ATOM 251 N LEU A 46 9.399 -5.173 -13.949 1.00 0.00 N ATOM 252 CA LEU A 46 8.380 -4.511 -14.765 1.00 0.00 C ATOM 253 C LEU A 46 8.819 -4.296 -16.214 1.00 0.00 C ATOM 254 O LEU A 46 8.047 -4.550 -17.133 1.00 0.00 O ATOM 255 CB LEU A 46 8.003 -3.191 -14.085 1.00 0.00 C ATOM 256 CG LEU A 46 6.778 -3.279 -13.171 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.493 -3.113 -13.997 1.00 0.00 C ATOM 258 CD2 LEU A 46 6.680 -4.530 -12.297 1.00 0.00 C ATOM 0 H LEU A 46 9.704 -4.613 -13.153 1.00 0.00 H new ATOM 0 HA LEU A 46 7.508 -5.162 -14.829 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.854 -2.842 -13.500 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.815 -2.441 -14.853 1.00 0.00 H new ATOM 0 HG LEU A 46 6.904 -2.459 -12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.627 -3.177 -13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.502 -2.142 -14.492 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.438 -3.902 -14.747 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.774 -4.482 -11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.647 -5.416 -12.932 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.550 -4.585 -11.642 1.00 0.00 H new ATOM 270 N GLU A 47 10.060 -3.876 -16.441 1.00 0.00 N ATOM 271 CA GLU A 47 10.637 -3.772 -17.784 1.00 0.00 C ATOM 272 C GLU A 47 10.753 -5.133 -18.492 1.00 0.00 C ATOM 273 O GLU A 47 10.464 -5.233 -19.688 1.00 0.00 O ATOM 274 CB GLU A 47 11.983 -3.038 -17.716 1.00 0.00 C ATOM 275 CG GLU A 47 12.534 -2.718 -19.111 1.00 0.00 C ATOM 276 CD GLU A 47 13.836 -1.900 -19.020 1.00 0.00 C ATOM 277 OE1 GLU A 47 14.929 -2.505 -18.895 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.780 -0.648 -19.091 1.00 0.00 O ATOM 0 H GLU A 47 10.699 -3.596 -15.697 1.00 0.00 H new ATOM 0 HA GLU A 47 9.952 -3.187 -18.398 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.863 -2.113 -17.152 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.703 -3.651 -17.174 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.721 -3.645 -19.653 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.790 -2.161 -19.680 1.00 0.00 H new ATOM 285 N LYS A 48 11.105 -6.202 -17.765 1.00 0.00 N ATOM 286 CA LYS A 48 11.153 -7.564 -18.310 1.00 0.00 C ATOM 287 C LYS A 48 9.760 -8.053 -18.721 1.00 0.00 C ATOM 288 O LYS A 48 9.604 -8.678 -19.771 1.00 0.00 O ATOM 289 CB LYS A 48 11.863 -8.511 -17.319 1.00 0.00 C ATOM 290 CG LYS A 48 12.256 -9.856 -17.961 1.00 0.00 C ATOM 291 CD LYS A 48 11.166 -10.943 -17.884 1.00 0.00 C ATOM 292 CE LYS A 48 11.116 -11.814 -19.149 1.00 0.00 C ATOM 293 NZ LYS A 48 12.358 -12.609 -19.348 1.00 0.00 N ATOM 0 H LYS A 48 11.365 -6.146 -16.780 1.00 0.00 H new ATOM 0 HA LYS A 48 11.745 -7.558 -19.225 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.757 -8.022 -16.933 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.208 -8.697 -16.468 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.508 -9.685 -19.008 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.157 -10.228 -17.473 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.350 -11.577 -17.017 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.195 -10.470 -17.733 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.263 -12.490 -19.086 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.954 -11.176 -20.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.271 -13.178 -20.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.171 -11.967 -19.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.501 -13.239 -18.533 1.00 0.00 H new ATOM 307 N MET A 49 8.745 -7.742 -17.916 1.00 0.00 N ATOM 308 CA MET A 49 7.339 -8.043 -18.139 1.00 0.00 C ATOM 309 C MET A 49 6.760 -7.241 -19.316 1.00 0.00 C ATOM 310 O MET A 49 6.047 -7.792 -20.150 1.00 0.00 O ATOM 311 CB MET A 49 6.620 -7.697 -16.833 1.00 0.00 C ATOM 312 CG MET A 49 6.822 -8.744 -15.729 1.00 0.00 C ATOM 313 SD MET A 49 6.520 -8.140 -14.041 1.00 0.00 S ATOM 314 CE MET A 49 4.854 -7.451 -14.220 1.00 0.00 C ATOM 0 H MET A 49 8.896 -7.243 -17.039 1.00 0.00 H new ATOM 0 HA MET A 49 7.207 -9.092 -18.404 1.00 0.00 H new ATOM 0 HB2 MET A 49 6.976 -6.731 -16.476 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.554 -7.590 -17.031 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.159 -9.587 -15.922 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.843 -9.121 -15.788 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.428 -7.268 -13.234 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.906 -6.513 -14.773 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.225 -8.157 -14.762 1.00 0.00 H new ATOM 324 N ALA A 50 7.117 -5.960 -19.432 1.00 0.00 N ATOM 325 CA ALA A 50 6.652 -5.027 -20.458 1.00 0.00 C ATOM 326 C ALA A 50 6.899 -5.508 -21.890 1.00 0.00 C ATOM 327 O ALA A 50 6.075 -5.257 -22.766 1.00 0.00 O ATOM 328 CB ALA A 50 7.313 -3.674 -20.198 1.00 0.00 C ATOM 0 H ALA A 50 7.770 -5.525 -18.781 1.00 0.00 H new ATOM 0 HA ALA A 50 5.568 -4.948 -20.382 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.983 -2.957 -20.950 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.032 -3.316 -19.208 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.396 -3.782 -20.250 1.00 0.00 H new ATOM 334 N ASN A 51 7.984 -6.237 -22.144 1.00 0.00 N ATOM 335 CA ASN A 51 8.267 -6.818 -23.456 1.00 0.00 C ATOM 336 C ASN A 51 7.238 -7.888 -23.893 1.00 0.00 C ATOM 337 O ASN A 51 7.033 -8.089 -25.088 1.00 0.00 O ATOM 338 CB ASN A 51 9.705 -7.343 -23.441 1.00 0.00 C ATOM 339 CG ASN A 51 10.160 -7.837 -24.804 1.00 0.00 C ATOM 340 OD1 ASN A 51 10.351 -9.023 -25.035 1.00 0.00 O ATOM 341 ND2 ASN A 51 10.358 -6.945 -25.745 1.00 0.00 N ATOM 0 H ASN A 51 8.695 -6.443 -21.442 1.00 0.00 H new ATOM 0 HA ASN A 51 8.169 -6.043 -24.216 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.374 -6.551 -23.104 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.784 -8.156 -22.719 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.671 -7.240 -26.670 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.199 -5.956 -25.552 1.00 0.00 H new ATOM 348 N GLU A 52 6.525 -8.513 -22.949 1.00 0.00 N ATOM 349 CA GLU A 52 5.408 -9.433 -23.200 1.00 0.00 C ATOM 350 C GLU A 52 4.112 -8.709 -23.640 1.00 0.00 C ATOM 351 O GLU A 52 3.197 -9.335 -24.174 1.00 0.00 O ATOM 352 CB GLU A 52 5.160 -10.314 -21.954 1.00 0.00 C ATOM 353 CG GLU A 52 5.174 -11.821 -22.246 1.00 0.00 C ATOM 354 CD GLU A 52 3.994 -12.296 -23.119 1.00 0.00 C ATOM 355 OE1 GLU A 52 2.870 -12.473 -22.587 1.00 0.00 O ATOM 356 OE2 GLU A 52 4.199 -12.556 -24.330 1.00 0.00 O ATOM 0 H GLU A 52 6.716 -8.388 -21.955 1.00 0.00 H new ATOM 0 HA GLU A 52 5.695 -10.068 -24.039 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.921 -10.092 -21.206 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.197 -10.047 -21.518 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.109 -12.077 -22.745 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.157 -12.365 -21.302 1.00 0.00 H new ATOM 363 N GLU A 53 4.049 -7.381 -23.475 1.00 0.00 N ATOM 364 CA GLU A 53 2.988 -6.488 -23.981 1.00 0.00 C ATOM 365 C GLU A 53 3.536 -5.465 -25.008 1.00 0.00 C ATOM 366 O GLU A 53 2.807 -4.621 -25.530 1.00 0.00 O ATOM 367 CB GLU A 53 2.261 -5.867 -22.774 1.00 0.00 C ATOM 368 CG GLU A 53 0.962 -5.128 -23.132 1.00 0.00 C ATOM 369 CD GLU A 53 0.046 -4.933 -21.906 1.00 0.00 C ATOM 370 OE1 GLU A 53 -0.591 -5.920 -21.460 1.00 0.00 O ATOM 371 OE2 GLU A 53 -0.093 -3.786 -21.416 1.00 0.00 O ATOM 0 H GLU A 53 4.769 -6.872 -22.961 1.00 0.00 H new ATOM 0 HA GLU A 53 2.250 -7.052 -24.551 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.031 -6.656 -22.058 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.936 -5.171 -22.276 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.205 -4.156 -23.560 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.426 -5.688 -23.898 1.00 0.00 H new ATOM 378 N GLU A 54 4.821 -5.595 -25.357 1.00 0.00 N ATOM 379 CA GLU A 54 5.592 -4.797 -26.316 1.00 0.00 C ATOM 380 C GLU A 54 5.799 -3.335 -25.859 1.00 0.00 C ATOM 381 O GLU A 54 5.398 -2.375 -26.518 1.00 0.00 O ATOM 382 CB GLU A 54 5.034 -4.975 -27.743 1.00 0.00 C ATOM 383 CG GLU A 54 6.095 -4.664 -28.806 1.00 0.00 C ATOM 384 CD GLU A 54 5.507 -4.778 -30.226 1.00 0.00 C ATOM 385 OE1 GLU A 54 5.503 -5.897 -30.798 1.00 0.00 O ATOM 386 OE2 GLU A 54 5.053 -3.753 -30.790 1.00 0.00 O ATOM 0 H GLU A 54 5.398 -6.325 -24.939 1.00 0.00 H new ATOM 0 HA GLU A 54 6.610 -5.184 -26.349 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.679 -5.998 -27.871 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.175 -4.319 -27.883 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.486 -3.659 -28.651 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.933 -5.352 -28.700 1.00 0.00 H new ATOM 393 N GLU A 55 6.496 -3.194 -24.725 1.00 0.00 N ATOM 394 CA GLU A 55 7.004 -1.954 -24.109 1.00 0.00 C ATOM 395 C GLU A 55 5.910 -1.006 -23.563 1.00 0.00 C ATOM 396 O GLU A 55 5.287 -0.224 -24.285 1.00 0.00 O ATOM 397 CB GLU A 55 8.004 -1.212 -25.011 1.00 0.00 C ATOM 398 CG GLU A 55 9.031 -2.082 -25.757 1.00 0.00 C ATOM 399 CD GLU A 55 9.806 -3.038 -24.834 1.00 0.00 C ATOM 400 OE1 GLU A 55 10.403 -2.575 -23.832 1.00 0.00 O ATOM 401 OE2 GLU A 55 9.834 -4.258 -25.122 1.00 0.00 O ATOM 0 H GLU A 55 6.742 -4.010 -24.165 1.00 0.00 H new ATOM 0 HA GLU A 55 7.546 -2.298 -23.228 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.440 -0.641 -25.749 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.547 -0.492 -24.399 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.516 -2.664 -26.521 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.739 -1.434 -26.273 1.00 0.00 H new ATOM 408 N SER A 56 5.677 -1.088 -22.251 1.00 0.00 N ATOM 409 CA SER A 56 4.571 -0.460 -21.509 1.00 0.00 C ATOM 410 C SER A 56 4.932 -0.223 -20.029 1.00 0.00 C ATOM 411 O SER A 56 4.080 -0.289 -19.141 1.00 0.00 O ATOM 412 CB SER A 56 3.317 -1.340 -21.650 1.00 0.00 C ATOM 413 OG SER A 56 3.615 -2.694 -21.348 1.00 0.00 O ATOM 0 H SER A 56 6.290 -1.626 -21.638 1.00 0.00 H new ATOM 0 HA SER A 56 4.373 0.524 -21.934 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.536 -0.977 -20.982 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.928 -1.266 -22.665 1.00 0.00 H new ATOM 0 HG SER A 56 2.782 -3.206 -21.285 1.00 0.00 H new ATOM 419 N VAL A 57 6.218 0.004 -19.726 1.00 0.00 N ATOM 420 CA VAL A 57 6.747 0.031 -18.347 1.00 0.00 C ATOM 421 C VAL A 57 6.029 1.078 -17.480 1.00 0.00 C ATOM 422 O VAL A 57 5.938 2.251 -17.846 1.00 0.00 O ATOM 423 CB VAL A 57 8.274 0.272 -18.291 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.837 -0.187 -16.939 1.00 0.00 C ATOM 425 CG2 VAL A 57 9.055 -0.459 -19.390 1.00 0.00 C ATOM 0 H VAL A 57 6.930 0.176 -20.435 1.00 0.00 H new ATOM 0 HA VAL A 57 6.551 -0.962 -17.943 1.00 0.00 H new ATOM 0 HB VAL A 57 8.402 1.344 -18.438 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.912 -0.011 -16.914 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.359 0.374 -16.136 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.640 -1.251 -16.805 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.118 -0.242 -19.286 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.893 -1.533 -19.298 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.710 -0.122 -20.367 1.00 0.00 H new ATOM 435 N GLY A 58 5.479 0.642 -16.343 1.00 0.00 N ATOM 436 CA GLY A 58 4.673 1.450 -15.418 1.00 0.00 C ATOM 437 C GLY A 58 3.175 1.318 -15.698 1.00 0.00 C ATOM 438 O GLY A 58 2.390 1.047 -14.791 1.00 0.00 O ATOM 0 H GLY A 58 5.586 -0.322 -16.028 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.879 1.141 -14.393 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.966 2.496 -15.501 1.00 0.00 H new ATOM 442 N SER A 59 2.770 1.396 -16.965 1.00 0.00 N ATOM 443 CA SER A 59 1.408 1.050 -17.385 1.00 0.00 C ATOM 444 C SER A 59 1.106 -0.430 -17.134 1.00 0.00 C ATOM 445 O SER A 59 -0.001 -0.764 -16.719 1.00 0.00 O ATOM 446 CB SER A 59 1.209 1.376 -18.861 1.00 0.00 C ATOM 447 OG SER A 59 1.212 2.778 -19.081 1.00 0.00 O ATOM 0 H SER A 59 3.373 1.700 -17.729 1.00 0.00 H new ATOM 0 HA SER A 59 0.716 1.645 -16.789 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.000 0.911 -19.449 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.265 0.953 -19.206 1.00 0.00 H new ATOM 0 HG SER A 59 1.084 2.960 -20.036 1.00 0.00 H new ATOM 453 N TYR A 60 2.104 -1.311 -17.285 1.00 0.00 N ATOM 454 CA TYR A 60 2.019 -2.728 -16.912 1.00 0.00 C ATOM 455 C TYR A 60 1.735 -2.917 -15.413 1.00 0.00 C ATOM 456 O TYR A 60 0.908 -3.749 -15.050 1.00 0.00 O ATOM 457 CB TYR A 60 3.320 -3.435 -17.312 1.00 0.00 C ATOM 458 CG TYR A 60 3.167 -4.908 -17.662 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.892 -5.869 -16.669 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.326 -5.321 -18.996 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.784 -7.233 -17.014 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.257 -6.682 -19.339 1.00 0.00 C ATOM 463 CZ TYR A 60 2.979 -7.646 -18.350 1.00 0.00 C ATOM 464 OH TYR A 60 2.910 -8.963 -18.687 1.00 0.00 O ATOM 0 H TYR A 60 3.010 -1.053 -17.677 1.00 0.00 H new ATOM 0 HA TYR A 60 1.180 -3.172 -17.447 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.750 -2.916 -18.168 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.033 -3.343 -16.493 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.764 -5.561 -15.642 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.503 -4.584 -19.766 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.551 -7.964 -16.253 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.417 -6.989 -20.362 1.00 0.00 H new ATOM 0 HH TYR A 60 3.068 -9.063 -19.649 1.00 0.00 H new ATOM 474 N ILE A 61 2.368 -2.104 -14.550 1.00 0.00 N ATOM 475 CA ILE A 61 2.082 -2.018 -13.094 1.00 0.00 C ATOM 476 C ILE A 61 0.587 -1.761 -12.926 1.00 0.00 C ATOM 477 O ILE A 61 -0.115 -2.553 -12.295 1.00 0.00 O ATOM 478 CB ILE A 61 2.975 -0.952 -12.363 1.00 0.00 C ATOM 479 CG1 ILE A 61 3.919 -1.563 -11.307 1.00 0.00 C ATOM 480 CG2 ILE A 61 2.219 0.173 -11.619 1.00 0.00 C ATOM 481 CD1 ILE A 61 5.083 -0.630 -10.941 1.00 0.00 C ATOM 0 H ILE A 61 3.111 -1.471 -14.845 1.00 0.00 H new ATOM 0 HA ILE A 61 2.343 -2.960 -12.611 1.00 0.00 H new ATOM 0 HB ILE A 61 3.515 -0.532 -13.212 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.349 -1.796 -10.408 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.318 -2.505 -11.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.937 0.848 -11.154 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.605 0.729 -12.327 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.581 -0.264 -10.851 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.714 -1.112 -10.194 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.673 -0.417 -11.832 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.689 0.302 -10.536 1.00 0.00 H new ATOM 493 N LYS A 62 0.082 -0.696 -13.561 1.00 0.00 N ATOM 494 CA LYS A 62 -1.301 -0.258 -13.408 1.00 0.00 C ATOM 495 C LYS A 62 -2.233 -1.383 -13.831 1.00 0.00 C ATOM 496 O LYS A 62 -3.026 -1.855 -13.028 1.00 0.00 O ATOM 497 CB LYS A 62 -1.530 1.054 -14.183 1.00 0.00 C ATOM 498 CG LYS A 62 -2.742 1.825 -13.636 1.00 0.00 C ATOM 499 CD LYS A 62 -2.984 3.149 -14.379 1.00 0.00 C ATOM 500 CE LYS A 62 -3.628 2.925 -15.755 1.00 0.00 C ATOM 501 NZ LYS A 62 -3.771 4.200 -16.508 1.00 0.00 N ATOM 0 H LYS A 62 0.628 -0.115 -14.197 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.521 -0.036 -12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.639 1.678 -14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.684 0.832 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.632 1.200 -13.715 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.590 2.030 -12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.628 3.790 -13.777 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.037 3.674 -14.503 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.021 2.227 -16.332 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.608 2.465 -15.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.524 4.101 -17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.015 4.967 -15.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.874 4.425 -16.984 1.00 0.00 H new ATOM 515 N ARG A 63 -2.041 -1.897 -15.048 1.00 0.00 N ATOM 516 CA ARG A 63 -2.765 -3.011 -15.682 1.00 0.00 C ATOM 517 C ARG A 63 -2.849 -4.246 -14.786 1.00 0.00 C ATOM 518 O ARG A 63 -3.910 -4.858 -14.718 1.00 0.00 O ATOM 519 CB ARG A 63 -2.117 -3.330 -17.045 1.00 0.00 C ATOM 520 CG ARG A 63 -2.979 -4.216 -17.961 1.00 0.00 C ATOM 521 CD ARG A 63 -4.220 -3.471 -18.476 1.00 0.00 C ATOM 522 NE ARG A 63 -5.000 -4.283 -19.429 1.00 0.00 N ATOM 523 CZ ARG A 63 -5.947 -5.165 -19.161 1.00 0.00 C ATOM 524 NH1 ARG A 63 -6.264 -5.500 -17.941 1.00 0.00 N ATOM 525 NH2 ARG A 63 -6.605 -5.734 -20.131 1.00 0.00 N ATOM 0 H ARG A 63 -1.322 -1.520 -15.666 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.797 -2.700 -15.843 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.903 -2.394 -17.561 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.161 -3.826 -16.873 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.381 -4.553 -18.807 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.291 -5.107 -17.416 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.853 -3.196 -17.632 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.911 -2.544 -18.959 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.782 -4.147 -20.416 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.775 -5.077 -17.152 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.001 -6.185 -17.775 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.390 -5.499 -21.100 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.335 -6.414 -19.921 1.00 0.00 H new ATOM 539 N TYR A 64 -1.783 -4.575 -14.057 1.00 0.00 N ATOM 540 CA TYR A 64 -1.732 -5.712 -13.132 1.00 0.00 C ATOM 541 C TYR A 64 -2.640 -5.534 -11.912 1.00 0.00 C ATOM 542 O TYR A 64 -3.303 -6.469 -11.470 1.00 0.00 O ATOM 543 CB TYR A 64 -0.286 -5.977 -12.687 1.00 0.00 C ATOM 544 CG TYR A 64 0.033 -7.460 -12.732 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.563 -8.347 -11.815 1.00 0.00 C ATOM 546 CD2 TYR A 64 0.818 -7.970 -13.782 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.408 -9.738 -11.968 1.00 0.00 C ATOM 548 CE2 TYR A 64 0.987 -9.359 -13.932 1.00 0.00 C ATOM 549 CZ TYR A 64 0.359 -10.251 -13.038 1.00 0.00 C ATOM 550 OH TYR A 64 0.484 -11.595 -13.219 1.00 0.00 O ATOM 0 H TYR A 64 -0.910 -4.048 -14.092 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.109 -6.576 -13.680 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.403 -5.433 -13.334 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.138 -5.600 -11.675 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.142 -7.958 -10.990 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.293 -7.293 -14.476 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.876 -10.413 -11.267 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.600 -9.743 -14.734 1.00 0.00 H new ATOM 0 HH TYR A 64 1.046 -11.769 -14.003 1.00 0.00 H new ATOM 560 N ILE A 65 -2.716 -4.308 -11.405 1.00 0.00 N ATOM 561 CA ILE A 65 -3.636 -3.880 -10.343 1.00 0.00 C ATOM 562 C ILE A 65 -5.076 -4.015 -10.846 1.00 0.00 C ATOM 563 O ILE A 65 -5.921 -4.533 -10.122 1.00 0.00 O ATOM 564 CB ILE A 65 -3.294 -2.452 -9.847 1.00 0.00 C ATOM 565 CG1 ILE A 65 -1.862 -2.399 -9.272 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.302 -1.915 -8.824 1.00 0.00 C ATOM 567 CD1 ILE A 65 -1.300 -0.985 -9.088 1.00 0.00 C ATOM 0 H ILE A 65 -2.116 -3.550 -11.732 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.525 -4.525 -9.472 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.354 -1.801 -10.719 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.853 -2.908 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.198 -2.956 -9.933 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.008 -0.912 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.294 -1.880 -9.275 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.322 -2.571 -7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.291 -1.045 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.272 -0.476 -10.052 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.937 -0.427 -8.401 1.00 0.00 H new ATOM 579 N LEU A 66 -5.353 -3.644 -12.106 1.00 0.00 N ATOM 580 CA LEU A 66 -6.697 -3.730 -12.696 1.00 0.00 C ATOM 581 C LEU A 66 -7.097 -5.196 -12.920 1.00 0.00 C ATOM 582 O LEU A 66 -8.239 -5.588 -12.678 1.00 0.00 O ATOM 583 CB LEU A 66 -6.795 -2.943 -14.023 1.00 0.00 C ATOM 584 CG LEU A 66 -5.981 -1.647 -14.139 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.256 -0.888 -15.428 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.139 -0.689 -12.959 1.00 0.00 C ATOM 0 H LEU A 66 -4.649 -3.275 -12.745 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.390 -3.276 -11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.488 -3.607 -14.831 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.844 -2.698 -14.192 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.951 -2.003 -14.139 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.652 0.019 -15.452 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.002 -1.516 -16.282 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.312 -0.622 -15.475 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.529 0.198 -13.127 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.185 -0.397 -12.865 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.816 -1.184 -12.043 1.00 0.00 H new ATOM 598 N LYS A 67 -6.126 -6.016 -13.342 1.00 0.00 N ATOM 599 CA LYS A 67 -6.243 -7.464 -13.528 1.00 0.00 C ATOM 600 C LYS A 67 -6.568 -8.166 -12.208 1.00 0.00 C ATOM 601 O LYS A 67 -7.506 -8.958 -12.141 1.00 0.00 O ATOM 602 CB LYS A 67 -4.945 -7.982 -14.170 1.00 0.00 C ATOM 603 CG LYS A 67 -5.043 -9.454 -14.596 1.00 0.00 C ATOM 604 CD LYS A 67 -3.746 -9.903 -15.288 1.00 0.00 C ATOM 605 CE LYS A 67 -3.757 -11.394 -15.659 1.00 0.00 C ATOM 606 NZ LYS A 67 -4.717 -11.706 -16.754 1.00 0.00 N ATOM 0 H LYS A 67 -5.195 -5.670 -13.573 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.074 -7.689 -14.196 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.706 -7.371 -15.040 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.123 -7.866 -13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.231 -10.079 -13.723 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.888 -9.587 -15.272 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.596 -9.310 -16.190 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.900 -9.703 -14.630 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.755 -11.696 -15.963 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.014 -11.982 -14.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.684 -12.724 -16.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.679 -11.444 -16.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.459 -11.168 -17.606 1.00 0.00 H new ATOM 620 N ALA A 68 -5.828 -7.838 -11.149 1.00 0.00 N ATOM 621 CA ALA A 68 -6.032 -8.374 -9.802 1.00 0.00 C ATOM 622 C ALA A 68 -7.357 -7.909 -9.155 1.00 0.00 C ATOM 623 O ALA A 68 -7.964 -8.656 -8.388 1.00 0.00 O ATOM 624 CB ALA A 68 -4.813 -7.996 -8.958 1.00 0.00 C ATOM 0 H ALA A 68 -5.053 -7.178 -11.204 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.126 -9.458 -9.861 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.937 -8.383 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.915 -8.425 -9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.718 -6.911 -8.922 1.00 0.00 H new ATOM 630 N LEU A 69 -7.863 -6.724 -9.526 1.00 0.00 N ATOM 631 CA LEU A 69 -9.120 -6.135 -9.040 1.00 0.00 C ATOM 632 C LEU A 69 -10.354 -6.977 -9.385 1.00 0.00 C ATOM 633 O LEU A 69 -11.351 -6.934 -8.661 1.00 0.00 O ATOM 634 CB LEU A 69 -9.263 -4.708 -9.613 1.00 0.00 C ATOM 635 CG LEU A 69 -9.399 -3.584 -8.572 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.133 -3.395 -7.733 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.666 -2.266 -9.305 1.00 0.00 C ATOM 0 H LEU A 69 -7.388 -6.125 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.070 -6.105 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.394 -4.498 -10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.137 -4.683 -10.264 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.214 -3.863 -7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.289 -2.589 -7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.910 -4.318 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.298 -3.143 -8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.765 -1.459 -8.579 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.836 -2.049 -9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.587 -2.350 -9.881 1.00 0.00 H new ATOM 649 N ARG A 70 -10.275 -7.770 -10.462 1.00 0.00 N ATOM 650 CA ARG A 70 -11.328 -8.700 -10.895 1.00 0.00 C ATOM 651 C ARG A 70 -11.712 -9.703 -9.801 1.00 0.00 C ATOM 652 O ARG A 70 -12.900 -9.959 -9.600 1.00 0.00 O ATOM 653 CB ARG A 70 -10.930 -9.412 -12.200 1.00 0.00 C ATOM 654 CG ARG A 70 -10.825 -8.429 -13.376 1.00 0.00 C ATOM 655 CD ARG A 70 -10.542 -9.162 -14.692 1.00 0.00 C ATOM 656 NE ARG A 70 -10.605 -8.235 -15.839 1.00 0.00 N ATOM 657 CZ ARG A 70 -10.664 -8.550 -17.121 1.00 0.00 C ATOM 658 NH1 ARG A 70 -10.598 -9.785 -17.536 1.00 0.00 N ATOM 659 NH2 ARG A 70 -10.791 -7.621 -18.023 1.00 0.00 N ATOM 0 H ARG A 70 -9.457 -7.783 -11.072 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.219 -8.104 -11.092 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.974 -9.917 -12.062 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.666 -10.181 -12.434 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.753 -7.864 -13.464 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.031 -7.709 -13.181 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.557 -9.626 -14.649 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.267 -9.965 -14.828 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.603 -7.239 -15.617 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.498 -10.545 -16.863 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.647 -9.991 -18.534 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.846 -6.642 -17.742 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.836 -7.872 -19.011 1.00 0.00 H new ATOM 673 N LYS A 71 -10.714 -10.236 -9.082 1.00 0.00 N ATOM 674 CA LYS A 71 -10.840 -11.048 -7.857 1.00 0.00 C ATOM 675 C LYS A 71 -9.730 -10.709 -6.845 1.00 0.00 C ATOM 676 O LYS A 71 -8.759 -11.456 -6.707 1.00 0.00 O ATOM 677 CB LYS A 71 -10.883 -12.556 -8.163 1.00 0.00 C ATOM 678 CG LYS A 71 -12.197 -13.087 -8.766 1.00 0.00 C ATOM 679 CD LYS A 71 -12.163 -13.246 -10.293 1.00 0.00 C ATOM 680 CE LYS A 71 -13.525 -13.761 -10.778 1.00 0.00 C ATOM 681 NZ LYS A 71 -13.538 -14.001 -12.245 1.00 0.00 N ATOM 0 H LYS A 71 -9.739 -10.106 -9.353 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.796 -10.791 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.070 -12.790 -8.851 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.685 -13.099 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.428 -14.052 -8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.008 -12.409 -8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.933 -12.291 -10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.375 -13.941 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.769 -14.687 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.299 -13.037 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -14.476 -14.348 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.330 -13.113 -12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.817 -14.711 -12.487 1.00 0.00 H new ATOM 695 N ILE A 72 -9.893 -9.597 -6.115 1.00 0.00 N ATOM 696 CA ILE A 72 -9.027 -9.215 -4.978 1.00 0.00 C ATOM 697 C ILE A 72 -8.866 -10.355 -3.947 1.00 0.00 C ATOM 698 O ILE A 72 -7.754 -10.594 -3.473 1.00 0.00 O ATOM 699 CB ILE A 72 -9.536 -7.907 -4.314 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.620 -6.787 -5.379 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.638 -7.506 -3.130 1.00 0.00 C ATOM 702 CD1 ILE A 72 -9.715 -5.341 -4.875 1.00 0.00 C ATOM 0 H ILE A 72 -10.639 -8.925 -6.296 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.031 -9.026 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.535 -8.072 -3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.741 -6.864 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.489 -6.983 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.016 -6.587 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.642 -8.301 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.620 -7.345 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -9.767 -4.662 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.610 -5.227 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.835 -5.106 -4.277 1.00 0.00 H new ATOM 714 N GLU A 73 -9.959 -11.078 -3.653 1.00 0.00 N ATOM 715 CA GLU A 73 -10.070 -12.241 -2.741 1.00 0.00 C ATOM 716 C GLU A 73 -9.354 -12.068 -1.376 1.00 0.00 C ATOM 717 O GLU A 73 -9.934 -11.369 -0.512 1.00 0.00 O ATOM 718 CB GLU A 73 -9.690 -13.523 -3.513 1.00 0.00 C ATOM 719 CG GLU A 73 -10.108 -14.815 -2.793 1.00 0.00 C ATOM 720 CD GLU A 73 -9.744 -16.066 -3.626 1.00 0.00 C ATOM 721 OE1 GLU A 73 -8.622 -16.613 -3.464 1.00 0.00 O ATOM 722 OE2 GLU A 73 -10.581 -16.529 -4.442 1.00 0.00 O ATOM 0 H GLU A 73 -10.859 -10.852 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.110 -12.329 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.157 -13.497 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.612 -13.537 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.617 -14.867 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.182 -14.799 -2.607 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 16.247 6.642 -6.693 1.00 0.00 N ATOM 731 CA THR B 31 15.296 5.518 -6.812 1.00 0.00 C ATOM 732 C THR B 31 14.439 5.651 -8.077 1.00 0.00 C ATOM 733 O THR B 31 14.583 6.607 -8.846 1.00 0.00 O ATOM 734 CB THR B 31 14.453 5.393 -5.526 1.00 0.00 C ATOM 735 OG1 THR B 31 14.185 4.049 -5.204 1.00 0.00 O ATOM 736 CG2 THR B 31 13.172 6.225 -5.470 1.00 0.00 C ATOM 0 HA THR B 31 15.855 4.589 -6.920 1.00 0.00 H new ATOM 0 HB THR B 31 15.098 5.834 -4.766 1.00 0.00 H new ATOM 0 HG1 THR B 31 13.370 3.759 -5.664 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.667 6.053 -4.519 1.00 0.00 H new ATOM 0 HG22 THR B 31 13.420 7.282 -5.563 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.513 5.934 -6.288 1.00 0.00 H new ATOM 744 N ARG B 32 13.554 4.682 -8.312 1.00 0.00 N ATOM 745 CA ARG B 32 12.709 4.567 -9.514 1.00 0.00 C ATOM 746 C ARG B 32 11.323 5.192 -9.314 1.00 0.00 C ATOM 747 O ARG B 32 10.421 4.581 -8.739 1.00 0.00 O ATOM 748 CB ARG B 32 12.616 3.096 -9.953 1.00 0.00 C ATOM 749 CG ARG B 32 13.964 2.483 -10.368 1.00 0.00 C ATOM 750 CD ARG B 32 14.457 3.016 -11.718 1.00 0.00 C ATOM 751 NE ARG B 32 15.689 2.324 -12.138 1.00 0.00 N ATOM 752 CZ ARG B 32 16.197 2.247 -13.353 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.618 2.777 -14.395 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.326 1.633 -13.531 1.00 0.00 N ATOM 0 H ARG B 32 13.395 3.924 -7.649 1.00 0.00 H new ATOM 0 HA ARG B 32 13.182 5.137 -10.314 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.197 2.509 -9.136 1.00 0.00 H new ATOM 0 HB3 ARG B 32 11.921 3.020 -10.789 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.709 2.698 -9.602 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.866 1.399 -10.422 1.00 0.00 H new ATOM 0 HD2 ARG B 32 13.683 2.879 -12.473 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.644 4.087 -11.644 1.00 0.00 H new ATOM 0 HE ARG B 32 16.211 1.848 -11.402 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.735 3.276 -14.289 1.00 0.00 H new ATOM 0 HH12 ARG B 32 16.048 2.692 -15.316 1.00 0.00 H new ATOM 0 HH21 ARG B 32 17.811 1.216 -12.736 1.00 0.00 H new ATOM 0 HH22 ARG B 32 17.729 1.567 -14.466 1.00 0.00 H new ATOM 768 N ALA B 33 11.157 6.418 -9.805 1.00 0.00 N ATOM 769 CA ALA B 33 9.885 7.114 -9.928 1.00 0.00 C ATOM 770 C ALA B 33 8.928 6.355 -10.870 1.00 0.00 C ATOM 771 O ALA B 33 9.247 6.084 -12.030 1.00 0.00 O ATOM 772 CB ALA B 33 10.158 8.538 -10.428 1.00 0.00 C ATOM 0 H ALA B 33 11.942 6.975 -10.142 1.00 0.00 H new ATOM 0 HA ALA B 33 9.393 7.162 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.215 9.076 -10.527 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.799 9.057 -9.716 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.654 8.494 -11.398 1.00 0.00 H new ATOM 778 N VAL B 34 7.743 6.036 -10.357 1.00 0.00 N ATOM 779 CA VAL B 34 6.622 5.385 -11.056 1.00 0.00 C ATOM 780 C VAL B 34 5.358 6.210 -10.849 1.00 0.00 C ATOM 781 O VAL B 34 4.682 6.082 -9.831 1.00 0.00 O ATOM 782 CB VAL B 34 6.432 3.913 -10.637 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.267 3.272 -11.404 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.679 3.071 -10.933 1.00 0.00 C ATOM 0 H VAL B 34 7.519 6.235 -9.382 1.00 0.00 H new ATOM 0 HA VAL B 34 6.853 5.350 -12.121 1.00 0.00 H new ATOM 0 HB VAL B 34 6.235 3.927 -9.565 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.153 2.234 -11.091 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.348 3.818 -11.192 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.472 3.308 -12.474 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.504 2.041 -10.623 1.00 0.00 H new ATOM 0 HG22 VAL B 34 7.891 3.098 -12.002 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.530 3.475 -10.385 1.00 0.00 H new ATOM 794 N SER B 35 5.067 7.086 -11.810 1.00 0.00 N ATOM 795 CA SER B 35 3.960 8.050 -11.766 1.00 0.00 C ATOM 796 C SER B 35 2.902 7.797 -12.835 1.00 0.00 C ATOM 797 O SER B 35 3.212 7.694 -14.025 1.00 0.00 O ATOM 798 CB SER B 35 4.471 9.489 -11.824 1.00 0.00 C ATOM 799 OG SER B 35 3.393 10.394 -11.639 1.00 0.00 O ATOM 0 H SER B 35 5.611 7.149 -12.670 1.00 0.00 H new ATOM 0 HA SER B 35 3.467 7.901 -10.805 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.226 9.647 -11.054 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.952 9.675 -12.784 1.00 0.00 H new ATOM 0 HG SER B 35 3.728 11.314 -11.676 1.00 0.00 H new ATOM 805 N LEU B 36 1.655 7.625 -12.386 1.00 0.00 N ATOM 806 CA LEU B 36 0.552 7.029 -13.138 1.00 0.00 C ATOM 807 C LEU B 36 -0.783 7.728 -12.852 1.00 0.00 C ATOM 808 O LEU B 36 -0.922 8.459 -11.869 1.00 0.00 O ATOM 809 CB LEU B 36 0.462 5.539 -12.753 1.00 0.00 C ATOM 810 CG LEU B 36 1.704 4.714 -13.136 1.00 0.00 C ATOM 811 CD1 LEU B 36 1.651 3.375 -12.425 1.00 0.00 C ATOM 812 CD2 LEU B 36 1.785 4.470 -14.643 1.00 0.00 C ATOM 0 H LEU B 36 1.377 7.911 -11.447 1.00 0.00 H new ATOM 0 HA LEU B 36 0.747 7.145 -14.204 1.00 0.00 H new ATOM 0 HB2 LEU B 36 0.306 5.462 -11.677 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -0.413 5.103 -13.234 1.00 0.00 H new ATOM 0 HG LEU B 36 2.586 5.280 -12.836 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.528 2.786 -12.692 1.00 0.00 H new ATOM 0 HD12 LEU B 36 1.637 3.536 -11.347 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.750 2.840 -12.724 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.676 3.884 -14.869 1.00 0.00 H new ATOM 0 HD22 LEU B 36 0.900 3.926 -14.972 1.00 0.00 H new ATOM 0 HD23 LEU B 36 1.837 5.426 -15.164 1.00 0.00 H new ATOM 824 N TYR B 37 -1.771 7.459 -13.706 1.00 0.00 N ATOM 825 CA TYR B 37 -3.093 8.082 -13.742 1.00 0.00 C ATOM 826 C TYR B 37 -4.168 6.988 -13.771 1.00 0.00 C ATOM 827 O TYR B 37 -4.442 6.385 -14.815 1.00 0.00 O ATOM 828 CB TYR B 37 -3.200 9.020 -14.962 1.00 0.00 C ATOM 829 CG TYR B 37 -2.185 10.152 -15.091 1.00 0.00 C ATOM 830 CD1 TYR B 37 -1.587 10.752 -13.963 1.00 0.00 C ATOM 831 CD2 TYR B 37 -1.875 10.645 -16.372 1.00 0.00 C ATOM 832 CE1 TYR B 37 -0.643 11.788 -14.108 1.00 0.00 C ATOM 833 CE2 TYR B 37 -0.967 11.710 -16.522 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.333 12.275 -15.395 1.00 0.00 C ATOM 835 OH TYR B 37 0.558 13.292 -15.557 1.00 0.00 O ATOM 0 H TYR B 37 -1.662 6.756 -14.437 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.246 8.687 -12.848 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -3.131 8.407 -15.861 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.195 9.464 -14.954 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -1.857 10.412 -12.974 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -2.336 10.204 -17.244 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -0.159 12.207 -13.238 1.00 0.00 H new ATOM 0 HE2 TYR B 37 -0.754 12.098 -17.507 1.00 0.00 H new ATOM 0 HH TYR B 37 0.650 13.497 -16.511 1.00 0.00 H new ATOM 845 N PHE B 38 -4.730 6.667 -12.609 1.00 0.00 N ATOM 846 CA PHE B 38 -5.897 5.805 -12.448 1.00 0.00 C ATOM 847 C PHE B 38 -7.197 6.495 -12.910 1.00 0.00 C ATOM 848 O PHE B 38 -7.199 7.665 -13.298 1.00 0.00 O ATOM 849 CB PHE B 38 -5.980 5.443 -10.961 1.00 0.00 C ATOM 850 CG PHE B 38 -5.148 4.252 -10.537 1.00 0.00 C ATOM 851 CD1 PHE B 38 -5.455 2.962 -11.013 1.00 0.00 C ATOM 852 CD2 PHE B 38 -4.111 4.423 -9.606 1.00 0.00 C ATOM 853 CE1 PHE B 38 -4.745 1.847 -10.532 1.00 0.00 C ATOM 854 CE2 PHE B 38 -3.403 3.308 -9.129 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.720 2.021 -9.589 1.00 0.00 C ATOM 0 H PHE B 38 -4.371 7.014 -11.719 1.00 0.00 H new ATOM 0 HA PHE B 38 -5.789 4.916 -13.069 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.670 6.309 -10.376 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -7.022 5.245 -10.710 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -6.236 2.829 -11.747 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -3.858 5.413 -9.256 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -4.989 0.857 -10.888 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -2.612 3.442 -8.406 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.176 1.165 -9.218 1.00 0.00 H new ATOM 865 N SER B 39 -8.318 5.777 -12.788 1.00 0.00 N ATOM 866 CA SER B 39 -9.664 6.360 -12.806 1.00 0.00 C ATOM 867 C SER B 39 -10.381 6.143 -11.479 1.00 0.00 C ATOM 868 O SER B 39 -9.922 5.375 -10.634 1.00 0.00 O ATOM 869 CB SER B 39 -10.488 5.834 -13.992 1.00 0.00 C ATOM 870 OG SER B 39 -9.841 6.107 -15.227 1.00 0.00 O ATOM 0 H SER B 39 -8.317 4.764 -12.673 1.00 0.00 H new ATOM 0 HA SER B 39 -9.555 7.436 -12.942 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.638 4.760 -13.886 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.475 6.296 -13.986 1.00 0.00 H new ATOM 0 HG SER B 39 -10.385 5.761 -15.965 1.00 0.00 H new ATOM 876 N ASP B 40 -11.490 6.857 -11.282 1.00 0.00 N ATOM 877 CA ASP B 40 -12.143 7.020 -9.980 1.00 0.00 C ATOM 878 C ASP B 40 -12.448 5.680 -9.293 1.00 0.00 C ATOM 879 O ASP B 40 -12.045 5.471 -8.154 1.00 0.00 O ATOM 880 CB ASP B 40 -13.404 7.878 -10.157 1.00 0.00 C ATOM 881 CG ASP B 40 -13.845 8.464 -8.815 1.00 0.00 C ATOM 882 OD1 ASP B 40 -14.573 7.782 -8.054 1.00 0.00 O ATOM 883 OD2 ASP B 40 -13.407 9.594 -8.495 1.00 0.00 O ATOM 0 H ASP B 40 -11.970 7.348 -12.037 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.452 7.531 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -13.207 8.683 -10.865 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -14.207 7.273 -10.578 1.00 0.00 H new ATOM 888 N GLU B 41 -13.077 4.743 -10.009 1.00 0.00 N ATOM 889 CA GLU B 41 -13.412 3.397 -9.520 1.00 0.00 C ATOM 890 C GLU B 41 -12.171 2.617 -9.073 1.00 0.00 C ATOM 891 O GLU B 41 -12.118 2.116 -7.952 1.00 0.00 O ATOM 892 CB GLU B 41 -14.126 2.613 -10.629 1.00 0.00 C ATOM 893 CG GLU B 41 -15.463 3.232 -11.054 1.00 0.00 C ATOM 894 CD GLU B 41 -16.654 2.615 -10.297 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.775 2.831 -9.067 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.483 1.913 -10.928 1.00 0.00 O ATOM 0 H GLU B 41 -13.376 4.902 -10.971 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.062 3.516 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.471 2.551 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.300 1.593 -10.287 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.438 4.307 -10.875 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.603 3.091 -12.126 1.00 0.00 H new ATOM 903 N GLN B 42 -11.162 2.537 -9.945 1.00 0.00 N ATOM 904 CA GLN B 42 -9.874 1.871 -9.699 1.00 0.00 C ATOM 905 C GLN B 42 -9.163 2.449 -8.465 1.00 0.00 C ATOM 906 O GLN B 42 -8.680 1.690 -7.620 1.00 0.00 O ATOM 907 CB GLN B 42 -8.999 1.950 -10.959 1.00 0.00 C ATOM 908 CG GLN B 42 -9.400 0.949 -12.059 1.00 0.00 C ATOM 909 CD GLN B 42 -10.824 1.098 -12.590 1.00 0.00 C ATOM 910 OE1 GLN B 42 -11.743 0.392 -12.202 1.00 0.00 O ATOM 911 NE2 GLN B 42 -11.065 2.016 -13.502 1.00 0.00 N ATOM 0 H GLN B 42 -11.219 2.948 -10.877 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.061 0.820 -9.479 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -9.052 2.961 -11.364 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.960 1.772 -10.680 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.706 1.054 -12.893 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.279 -0.062 -11.669 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -10.309 2.613 -13.836 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -12.008 2.130 -13.874 1.00 0.00 H new ATOM 920 N TYR B 43 -9.154 3.777 -8.312 1.00 0.00 N ATOM 921 CA TYR B 43 -8.581 4.441 -7.140 1.00 0.00 C ATOM 922 C TYR B 43 -9.387 4.155 -5.860 1.00 0.00 C ATOM 923 O TYR B 43 -8.817 3.838 -4.816 1.00 0.00 O ATOM 924 CB TYR B 43 -8.489 5.944 -7.425 1.00 0.00 C ATOM 925 CG TYR B 43 -7.643 6.702 -6.421 1.00 0.00 C ATOM 926 CD1 TYR B 43 -6.238 6.622 -6.489 1.00 0.00 C ATOM 927 CD2 TYR B 43 -8.255 7.485 -5.424 1.00 0.00 C ATOM 928 CE1 TYR B 43 -5.450 7.320 -5.553 1.00 0.00 C ATOM 929 CE2 TYR B 43 -7.469 8.184 -4.488 1.00 0.00 C ATOM 930 CZ TYR B 43 -6.060 8.101 -4.550 1.00 0.00 C ATOM 931 OH TYR B 43 -5.288 8.770 -3.650 1.00 0.00 O ATOM 0 H TYR B 43 -9.545 4.422 -8.999 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.583 4.042 -6.959 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.074 6.091 -8.422 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.494 6.366 -7.433 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -5.766 6.027 -7.257 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -9.332 7.550 -5.377 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -4.373 7.257 -5.604 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -7.942 8.783 -3.724 1.00 0.00 H new ATOM 0 HH TYR B 43 -5.863 9.261 -3.027 1.00 0.00 H new ATOM 941 N GLN B 44 -10.719 4.201 -5.946 1.00 0.00 N ATOM 942 CA GLN B 44 -11.639 3.935 -4.835 1.00 0.00 C ATOM 943 C GLN B 44 -11.619 2.473 -4.372 1.00 0.00 C ATOM 944 O GLN B 44 -11.745 2.214 -3.179 1.00 0.00 O ATOM 945 CB GLN B 44 -13.075 4.363 -5.199 1.00 0.00 C ATOM 946 CG GLN B 44 -13.474 5.741 -4.642 1.00 0.00 C ATOM 947 CD GLN B 44 -12.471 6.861 -4.922 1.00 0.00 C ATOM 948 OE1 GLN B 44 -11.533 7.092 -4.173 1.00 0.00 O ATOM 949 NE2 GLN B 44 -12.638 7.636 -5.968 1.00 0.00 N ATOM 0 H GLN B 44 -11.202 4.431 -6.815 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.286 4.535 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.175 4.378 -6.284 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.773 3.614 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -14.439 6.022 -5.064 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -13.611 5.656 -3.564 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -13.412 7.466 -6.610 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -11.993 8.408 -6.139 1.00 0.00 H new ATOM 958 N LYS B 45 -11.418 1.508 -5.276 1.00 0.00 N ATOM 959 CA LYS B 45 -11.199 0.096 -4.952 1.00 0.00 C ATOM 960 C LYS B 45 -9.913 -0.075 -4.137 1.00 0.00 C ATOM 961 O LYS B 45 -9.908 -0.797 -3.140 1.00 0.00 O ATOM 962 CB LYS B 45 -11.151 -0.721 -6.254 1.00 0.00 C ATOM 963 CG LYS B 45 -12.399 -1.581 -6.540 1.00 0.00 C ATOM 964 CD LYS B 45 -13.569 -0.840 -7.213 1.00 0.00 C ATOM 965 CE LYS B 45 -14.339 0.142 -6.318 1.00 0.00 C ATOM 966 NZ LYS B 45 -15.149 -0.551 -5.280 1.00 0.00 N ATOM 0 H LYS B 45 -11.403 1.693 -6.279 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.023 -0.271 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.004 -0.035 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.279 -1.375 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.106 -2.417 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.752 -2.004 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -13.182 -0.293 -8.072 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -14.271 -1.580 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -13.634 0.817 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.994 0.756 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.649 0.154 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -15.841 -1.176 -5.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -14.523 -1.116 -4.671 1.00 0.00 H new ATOM 980 N LEU B 46 -8.844 0.631 -4.516 1.00 0.00 N ATOM 981 CA LEU B 46 -7.607 0.672 -3.737 1.00 0.00 C ATOM 982 C LEU B 46 -7.791 1.343 -2.370 1.00 0.00 C ATOM 983 O LEU B 46 -7.285 0.838 -1.374 1.00 0.00 O ATOM 984 CB LEU B 46 -6.476 1.304 -4.573 1.00 0.00 C ATOM 985 CG LEU B 46 -5.383 0.254 -4.816 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.437 0.648 -5.945 1.00 0.00 C ATOM 987 CD2 LEU B 46 -4.544 0.032 -3.553 1.00 0.00 C ATOM 0 H LEU B 46 -8.813 1.188 -5.370 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.316 -0.353 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -6.868 1.665 -5.524 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -6.060 2.166 -4.052 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.906 -0.661 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -3.683 -0.128 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -5.002 0.764 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -3.948 1.590 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -3.777 -0.716 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -4.069 0.969 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -5.188 -0.315 -2.745 1.00 0.00 H new ATOM 999 N GLU B 47 -8.575 2.416 -2.282 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.968 3.024 -1.000 1.00 0.00 C ATOM 1001 C GLU B 47 -9.789 2.074 -0.110 1.00 0.00 C ATOM 1002 O GLU B 47 -9.542 1.982 1.095 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.687 4.359 -1.239 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.858 5.161 0.059 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.549 6.514 -0.200 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.802 6.568 -0.193 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.843 7.538 -0.379 1.00 0.00 O ATOM 0 H GLU B 47 -8.960 2.894 -3.097 1.00 0.00 H new ATOM 0 HA GLU B 47 -8.053 3.224 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -9.122 4.951 -1.959 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.666 4.170 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.446 4.582 0.771 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.882 5.331 0.514 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.721 1.314 -0.697 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.556 0.328 0.002 1.00 0.00 C ATOM 1016 C LYS B 48 -10.718 -0.796 0.622 1.00 0.00 C ATOM 1017 O LYS B 48 -10.990 -1.221 1.744 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.630 -0.211 -0.964 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.773 -0.985 -0.283 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.692 -0.078 0.552 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.895 -0.874 1.073 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.831 -0.012 1.842 1.00 0.00 N ATOM 0 H LYS B 48 -10.921 1.368 -1.696 1.00 0.00 H new ATOM 0 HA LYS B 48 -12.056 0.820 0.836 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.055 0.626 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.150 -0.864 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -14.365 -1.493 -1.044 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -13.350 -1.757 0.360 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.136 0.343 1.389 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.037 0.759 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -16.423 -1.327 0.234 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -15.546 -1.689 1.707 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -17.632 -0.583 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -16.333 0.400 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -17.183 0.751 1.229 1.00 0.00 H new ATOM 1036 N MET B 49 -9.660 -1.227 -0.071 1.00 0.00 N ATOM 1037 CA MET B 49 -8.625 -2.115 0.436 1.00 0.00 C ATOM 1038 C MET B 49 -7.777 -1.439 1.522 1.00 0.00 C ATOM 1039 O MET B 49 -7.574 -2.003 2.595 1.00 0.00 O ATOM 1040 CB MET B 49 -7.731 -2.509 -0.742 1.00 0.00 C ATOM 1041 CG MET B 49 -8.214 -3.740 -1.508 1.00 0.00 C ATOM 1042 SD MET B 49 -6.905 -4.557 -2.463 1.00 0.00 S ATOM 1043 CE MET B 49 -6.303 -3.184 -3.479 1.00 0.00 C ATOM 0 H MET B 49 -9.500 -0.952 -1.040 1.00 0.00 H new ATOM 0 HA MET B 49 -9.094 -2.989 0.888 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.666 -1.668 -1.432 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.723 -2.697 -0.372 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.638 -4.454 -0.802 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.017 -3.446 -2.184 1.00 0.00 H new ATOM 0 HE1 MET B 49 -5.709 -3.576 -4.305 1.00 0.00 H new ATOM 0 HE2 MET B 49 -7.151 -2.625 -3.875 1.00 0.00 H new ATOM 0 HE3 MET B 49 -5.686 -2.523 -2.870 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.296 -0.220 1.264 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.416 0.530 2.155 1.00 0.00 C ATOM 1055 C ALA B 50 -7.037 0.824 3.522 1.00 0.00 C ATOM 1056 O ALA B 50 -6.308 0.885 4.505 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.973 1.812 1.454 1.00 0.00 C ATOM 0 H ALA B 50 -7.516 0.284 0.405 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.549 -0.095 2.367 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -5.315 2.378 2.113 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.439 1.560 0.538 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.848 2.414 1.210 1.00 0.00 H new ATOM 1063 N ASN B 51 -8.362 0.942 3.631 1.00 0.00 N ATOM 1064 CA ASN B 51 -9.068 1.065 4.911 1.00 0.00 C ATOM 1065 C ASN B 51 -8.823 -0.152 5.835 1.00 0.00 C ATOM 1066 O ASN B 51 -8.833 0.002 7.055 1.00 0.00 O ATOM 1067 CB ASN B 51 -10.559 1.295 4.606 1.00 0.00 C ATOM 1068 CG ASN B 51 -11.382 1.928 5.727 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -12.238 2.767 5.485 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.193 1.564 6.975 1.00 0.00 N ATOM 0 H ASN B 51 -8.984 0.955 2.823 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.679 1.916 5.470 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.635 1.930 3.723 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -11.009 0.336 4.349 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -11.755 1.980 7.718 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -10.485 0.866 7.201 1.00 0.00 H new ATOM 1077 N GLU B 52 -8.536 -1.338 5.289 1.00 0.00 N ATOM 1078 CA GLU B 52 -8.128 -2.528 6.050 1.00 0.00 C ATOM 1079 C GLU B 52 -6.710 -2.377 6.644 1.00 0.00 C ATOM 1080 O GLU B 52 -6.439 -2.842 7.751 1.00 0.00 O ATOM 1081 CB GLU B 52 -8.240 -3.772 5.147 1.00 0.00 C ATOM 1082 CG GLU B 52 -8.479 -5.095 5.894 1.00 0.00 C ATOM 1083 CD GLU B 52 -7.239 -5.670 6.614 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -6.161 -5.799 5.983 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -7.358 -6.068 7.799 1.00 0.00 O ATOM 0 H GLU B 52 -8.581 -1.503 4.283 1.00 0.00 H new ATOM 0 HA GLU B 52 -8.800 -2.646 6.900 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -9.056 -3.618 4.441 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -7.325 -3.862 4.562 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -9.269 -4.942 6.629 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -8.844 -5.836 5.183 1.00 0.00 H new ATOM 1092 N GLU B 53 -5.824 -1.654 5.949 1.00 0.00 N ATOM 1093 CA GLU B 53 -4.492 -1.231 6.419 1.00 0.00 C ATOM 1094 C GLU B 53 -4.541 0.090 7.229 1.00 0.00 C ATOM 1095 O GLU B 53 -3.523 0.572 7.725 1.00 0.00 O ATOM 1096 CB GLU B 53 -3.554 -1.154 5.199 1.00 0.00 C ATOM 1097 CG GLU B 53 -2.063 -1.131 5.557 1.00 0.00 C ATOM 1098 CD GLU B 53 -1.190 -1.471 4.336 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.820 -0.552 3.571 1.00 0.00 O ATOM 1100 OE2 GLU B 53 -0.840 -2.665 4.162 1.00 0.00 O ATOM 0 H GLU B 53 -6.021 -1.332 5.002 1.00 0.00 H new ATOM 0 HA GLU B 53 -4.102 -1.967 7.122 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.748 -2.008 4.550 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -3.793 -0.258 4.626 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -1.793 -0.146 5.937 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.868 -1.845 6.357 1.00 0.00 H new ATOM 1107 N GLU B 54 -5.744 0.654 7.402 1.00 0.00 N ATOM 1108 CA GLU B 54 -6.084 1.890 8.121 1.00 0.00 C ATOM 1109 C GLU B 54 -5.675 3.165 7.345 1.00 0.00 C ATOM 1110 O GLU B 54 -5.084 4.102 7.883 1.00 0.00 O ATOM 1111 CB GLU B 54 -5.618 1.824 9.592 1.00 0.00 C ATOM 1112 CG GLU B 54 -6.495 2.690 10.502 1.00 0.00 C ATOM 1113 CD GLU B 54 -5.988 2.655 11.958 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -6.396 1.750 12.727 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -5.187 3.538 12.352 1.00 0.00 O ATOM 0 H GLU B 54 -6.578 0.219 7.008 1.00 0.00 H new ATOM 0 HA GLU B 54 -7.170 1.971 8.173 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -5.645 0.790 9.937 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.582 2.156 9.661 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -6.497 3.718 10.139 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -7.525 2.336 10.464 1.00 0.00 H new ATOM 1122 N GLU B 55 -6.042 3.196 6.057 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.837 4.266 5.066 1.00 0.00 C ATOM 1124 C GLU B 55 -4.361 4.642 4.843 1.00 0.00 C ATOM 1125 O GLU B 55 -3.812 5.591 5.408 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.749 5.457 5.363 1.00 0.00 C ATOM 1127 CG GLU B 55 -6.844 6.451 4.197 1.00 0.00 C ATOM 1128 CD GLU B 55 -7.738 7.649 4.575 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -8.985 7.536 4.481 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -7.202 8.716 4.964 1.00 0.00 O ATOM 0 H GLU B 55 -6.534 2.404 5.643 1.00 0.00 H new ATOM 0 HA GLU B 55 -6.137 3.868 4.097 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -7.747 5.091 5.602 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.380 5.978 6.247 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -5.848 6.804 3.931 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -7.250 5.951 3.318 1.00 0.00 H new ATOM 1137 N SER B 56 -3.731 3.865 3.965 1.00 0.00 N ATOM 1138 CA SER B 56 -2.325 3.958 3.532 1.00 0.00 C ATOM 1139 C SER B 56 -2.191 3.668 2.026 1.00 0.00 C ATOM 1140 O SER B 56 -1.311 2.921 1.599 1.00 0.00 O ATOM 1141 CB SER B 56 -1.451 3.007 4.370 1.00 0.00 C ATOM 1142 OG SER B 56 -1.358 3.448 5.716 1.00 0.00 O ATOM 0 H SER B 56 -4.217 3.098 3.501 1.00 0.00 H new ATOM 0 HA SER B 56 -1.974 4.977 3.696 1.00 0.00 H new ATOM 0 HB2 SER B 56 -1.872 2.002 4.342 1.00 0.00 H new ATOM 0 HB3 SER B 56 -0.454 2.947 3.934 1.00 0.00 H new ATOM 0 HG SER B 56 -0.799 2.825 6.226 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.092 4.226 1.205 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.271 3.883 -0.225 1.00 0.00 C ATOM 1150 C VAL B 57 -1.976 3.813 -1.037 1.00 0.00 C ATOM 1151 O VAL B 57 -1.775 2.840 -1.758 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.267 4.810 -0.967 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.705 4.312 -0.859 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -4.238 6.262 -0.477 1.00 0.00 C ATOM 0 H VAL B 57 -3.738 4.950 1.520 1.00 0.00 H new ATOM 0 HA VAL B 57 -3.687 2.877 -0.168 1.00 0.00 H new ATOM 0 HB VAL B 57 -3.932 4.783 -2.004 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -6.367 4.993 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -5.779 3.316 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.998 4.271 0.190 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -4.961 6.851 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -4.493 6.294 0.582 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -3.240 6.675 -0.623 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.083 4.799 -0.908 1.00 0.00 N ATOM 1165 CA GLY B 58 0.192 4.851 -1.640 1.00 0.00 C ATOM 1166 C GLY B 58 1.088 3.645 -1.351 1.00 0.00 C ATOM 1167 O GLY B 58 1.646 3.032 -2.261 1.00 0.00 O ATOM 0 H GLY B 58 -1.224 5.594 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.010 4.900 -2.710 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.723 5.765 -1.373 1.00 0.00 H new ATOM 1171 N SER B 59 1.178 3.248 -0.084 1.00 0.00 N ATOM 1172 CA SER B 59 1.872 2.036 0.340 1.00 0.00 C ATOM 1173 C SER B 59 1.140 0.781 -0.117 1.00 0.00 C ATOM 1174 O SER B 59 1.788 -0.168 -0.557 1.00 0.00 O ATOM 1175 CB SER B 59 1.978 2.010 1.860 1.00 0.00 C ATOM 1176 OG SER B 59 2.732 3.116 2.335 1.00 0.00 O ATOM 0 H SER B 59 0.764 3.768 0.689 1.00 0.00 H new ATOM 0 HA SER B 59 2.863 2.048 -0.115 1.00 0.00 H new ATOM 0 HB2 SER B 59 0.980 2.030 2.298 1.00 0.00 H new ATOM 0 HB3 SER B 59 2.448 1.080 2.180 1.00 0.00 H new ATOM 0 HG SER B 59 2.785 3.080 3.313 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.197 0.782 -0.071 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.012 -0.339 -0.535 1.00 0.00 C ATOM 1184 C TYR B 60 -0.791 -0.621 -2.024 1.00 0.00 C ATOM 1185 O TYR B 60 -0.617 -1.771 -2.405 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.500 -0.110 -0.237 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.235 -1.407 0.059 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.469 -2.345 -0.968 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.620 -1.714 1.379 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.070 -3.584 -0.680 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -4.254 -2.939 1.667 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.474 -3.881 0.640 1.00 0.00 C ATOM 1193 OH TYR B 60 -5.079 -5.066 0.927 1.00 0.00 O ATOM 0 H TYR B 60 -0.743 1.564 0.291 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.690 -1.220 0.020 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.598 0.563 0.615 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -2.967 0.384 -1.089 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.185 -2.110 -1.983 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.428 -1.008 2.173 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.222 -4.307 -1.468 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.572 -3.157 2.676 1.00 0.00 H new ATOM 0 HH TYR B 60 -5.288 -5.103 1.884 1.00 0.00 H new ATOM 1203 N ILE B 61 -0.716 0.422 -2.856 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.409 0.349 -4.295 1.00 0.00 C ATOM 1205 C ILE B 61 0.877 -0.439 -4.512 1.00 0.00 C ATOM 1206 O ILE B 61 0.897 -1.419 -5.262 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.301 1.777 -4.900 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -1.689 2.414 -5.084 1.00 0.00 C ATOM 1209 CG2 ILE B 61 0.429 1.812 -6.260 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -1.703 3.939 -4.940 1.00 0.00 C ATOM 0 H ILE B 61 -0.873 1.378 -2.538 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.220 -0.170 -4.807 1.00 0.00 H new ATOM 0 HB ILE B 61 0.287 2.345 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.070 2.150 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.374 1.985 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE B 61 0.469 2.838 -6.625 1.00 0.00 H new ATOM 0 HG22 ILE B 61 1.443 1.430 -6.139 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.109 1.192 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -2.718 4.309 -5.084 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -1.354 4.214 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -1.046 4.381 -5.689 1.00 0.00 H new ATOM 1222 N LYS B 62 1.942 -0.032 -3.815 1.00 0.00 N ATOM 1223 CA LYS B 62 3.242 -0.697 -3.871 1.00 0.00 C ATOM 1224 C LYS B 62 3.135 -2.146 -3.389 1.00 0.00 C ATOM 1225 O LYS B 62 3.470 -3.074 -4.118 1.00 0.00 O ATOM 1226 CB LYS B 62 4.256 0.151 -3.076 1.00 0.00 C ATOM 1227 CG LYS B 62 5.573 0.300 -3.854 1.00 0.00 C ATOM 1228 CD LYS B 62 6.663 1.118 -3.139 1.00 0.00 C ATOM 1229 CE LYS B 62 7.379 0.381 -1.995 1.00 0.00 C ATOM 1230 NZ LYS B 62 6.699 0.541 -0.678 1.00 0.00 N ATOM 0 H LYS B 62 1.923 0.775 -3.192 1.00 0.00 H new ATOM 0 HA LYS B 62 3.599 -0.766 -4.898 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.834 1.136 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.450 -0.316 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.967 -0.694 -4.066 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.359 0.769 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.406 1.427 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.212 2.027 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.442 -0.680 -2.238 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.401 0.751 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.400 0.463 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 6.242 1.474 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 5.980 -0.202 -0.566 1.00 0.00 H new ATOM 1244 N ARG B 63 2.604 -2.354 -2.184 1.00 0.00 N ATOM 1245 CA ARG B 63 2.400 -3.662 -1.540 1.00 0.00 C ATOM 1246 C ARG B 63 1.598 -4.638 -2.405 1.00 0.00 C ATOM 1247 O ARG B 63 1.957 -5.806 -2.456 1.00 0.00 O ATOM 1248 CB ARG B 63 1.773 -3.432 -0.154 1.00 0.00 C ATOM 1249 CG ARG B 63 1.506 -4.727 0.630 1.00 0.00 C ATOM 1250 CD ARG B 63 1.294 -4.438 2.123 1.00 0.00 C ATOM 1251 NE ARG B 63 2.577 -4.198 2.816 1.00 0.00 N ATOM 1252 CZ ARG B 63 2.758 -3.713 4.031 1.00 0.00 C ATOM 1253 NH1 ARG B 63 1.781 -3.275 4.769 1.00 0.00 N ATOM 1254 NH2 ARG B 63 3.956 -3.657 4.540 1.00 0.00 N ATOM 0 H ARG B 63 2.288 -1.581 -1.598 1.00 0.00 H new ATOM 0 HA ARG B 63 3.367 -4.150 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.434 -2.794 0.432 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.834 -2.892 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG B 63 0.626 -5.226 0.225 1.00 0.00 H new ATOM 0 HG3 ARG B 63 2.346 -5.411 0.505 1.00 0.00 H new ATOM 0 HD2 ARG B 63 0.649 -3.567 2.238 1.00 0.00 H new ATOM 0 HD3 ARG B 63 0.780 -5.279 2.588 1.00 0.00 H new ATOM 0 HE ARG B 63 3.421 -4.435 2.295 1.00 0.00 H new ATOM 0 HH11 ARG B 63 0.825 -3.297 4.415 1.00 0.00 H new ATOM 0 HH12 ARG B 63 1.971 -2.909 5.702 1.00 0.00 H new ATOM 0 HH21 ARG B 63 4.756 -3.988 4.000 1.00 0.00 H new ATOM 0 HH22 ARG B 63 4.094 -3.282 5.478 1.00 0.00 H new ATOM 1268 N TYR B 64 0.576 -4.191 -3.131 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.282 -5.033 -3.974 1.00 0.00 C ATOM 1270 C TYR B 64 0.483 -5.616 -5.171 1.00 0.00 C ATOM 1271 O TYR B 64 0.396 -6.803 -5.485 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.473 -4.187 -4.442 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.713 -4.951 -4.864 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -3.290 -5.911 -4.008 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.331 -4.649 -6.092 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -4.454 -6.598 -4.403 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.505 -5.315 -6.482 1.00 0.00 C ATOM 1278 CZ TYR B 64 -5.058 -6.304 -5.643 1.00 0.00 C ATOM 1279 OH TYR B 64 -6.169 -6.976 -6.038 1.00 0.00 O ATOM 0 H TYR B 64 0.311 -3.206 -3.153 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.632 -5.885 -3.391 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.748 -3.507 -3.636 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.148 -3.572 -5.281 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.839 -6.120 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -2.900 -3.900 -6.739 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.884 -7.349 -3.757 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.982 -5.071 -7.420 1.00 0.00 H new ATOM 0 HH TYR B 64 -6.455 -6.648 -6.916 1.00 0.00 H new ATOM 1289 N ILE B 65 1.304 -4.765 -5.782 1.00 0.00 N ATOM 1290 CA ILE B 65 2.266 -5.095 -6.841 1.00 0.00 C ATOM 1291 C ILE B 65 3.340 -6.036 -6.311 1.00 0.00 C ATOM 1292 O ILE B 65 3.637 -7.043 -6.944 1.00 0.00 O ATOM 1293 CB ILE B 65 2.910 -3.822 -7.425 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.895 -2.981 -8.216 1.00 0.00 C ATOM 1295 CG2 ILE B 65 4.155 -4.111 -8.286 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.430 -3.613 -9.534 1.00 0.00 C ATOM 0 H ILE B 65 1.320 -3.774 -5.542 1.00 0.00 H new ATOM 0 HA ILE B 65 1.723 -5.597 -7.642 1.00 0.00 H new ATOM 0 HB ILE B 65 3.245 -3.244 -6.564 1.00 0.00 H new ATOM 0 HG12 ILE B 65 1.023 -2.802 -7.587 1.00 0.00 H new ATOM 0 HG13 ILE B 65 2.338 -2.009 -8.431 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.560 -3.173 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.909 -4.612 -7.679 1.00 0.00 H new ATOM 0 HG23 ILE B 65 3.878 -4.753 -9.123 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.716 -2.950 -10.023 1.00 0.00 H new ATOM 0 HD12 ILE B 65 2.289 -3.767 -10.187 1.00 0.00 H new ATOM 0 HD13 ILE B 65 0.954 -4.572 -9.330 1.00 0.00 H new ATOM 1308 N LEU B 66 3.921 -5.733 -5.150 1.00 0.00 N ATOM 1309 CA LEU B 66 5.040 -6.494 -4.587 1.00 0.00 C ATOM 1310 C LEU B 66 4.567 -7.875 -4.109 1.00 0.00 C ATOM 1311 O LEU B 66 5.281 -8.867 -4.264 1.00 0.00 O ATOM 1312 CB LEU B 66 5.698 -5.643 -3.484 1.00 0.00 C ATOM 1313 CG LEU B 66 6.752 -4.610 -3.967 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.618 -4.081 -5.399 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.722 -3.368 -3.077 1.00 0.00 C ATOM 0 H LEU B 66 3.628 -4.948 -4.569 1.00 0.00 H new ATOM 0 HA LEU B 66 5.798 -6.697 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.914 -5.110 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.175 -6.314 -2.770 1.00 0.00 H new ATOM 0 HG LEU B 66 7.675 -5.188 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.419 -3.369 -5.600 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.686 -4.912 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.654 -3.585 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.466 -2.652 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.732 -2.913 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU B 66 6.947 -3.652 -2.049 1.00 0.00 H new ATOM 1327 N LYS B 67 3.315 -7.961 -3.644 1.00 0.00 N ATOM 1328 CA LYS B 67 2.602 -9.206 -3.353 1.00 0.00 C ATOM 1329 C LYS B 67 2.391 -10.051 -4.612 1.00 0.00 C ATOM 1330 O LYS B 67 2.663 -11.250 -4.598 1.00 0.00 O ATOM 1331 CB LYS B 67 1.280 -8.874 -2.645 1.00 0.00 C ATOM 1332 CG LYS B 67 0.607 -10.144 -2.100 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.597 -9.858 -1.190 1.00 0.00 C ATOM 1334 CE LYS B 67 -1.796 -9.300 -1.969 1.00 0.00 C ATOM 1335 NZ LYS B 67 -2.989 -9.159 -1.091 1.00 0.00 N ATOM 0 H LYS B 67 2.751 -7.133 -3.454 1.00 0.00 H new ATOM 0 HA LYS B 67 3.210 -9.818 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.467 -8.179 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.607 -8.373 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.281 -10.761 -2.938 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.343 -10.725 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -0.892 -10.776 -0.682 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.305 -9.146 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS B 67 -1.537 -8.330 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS B 67 -2.031 -9.961 -2.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -3.784 -8.780 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -3.248 -10.089 -0.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -2.770 -8.509 -0.309 1.00 0.00 H new ATOM 1349 N ALA B 68 1.961 -9.427 -5.712 1.00 0.00 N ATOM 1350 CA ALA B 68 1.868 -10.087 -7.014 1.00 0.00 C ATOM 1351 C ALA B 68 3.249 -10.513 -7.555 1.00 0.00 C ATOM 1352 O ALA B 68 3.373 -11.585 -8.142 1.00 0.00 O ATOM 1353 CB ALA B 68 1.132 -9.168 -7.998 1.00 0.00 C ATOM 0 H ALA B 68 1.668 -8.450 -5.723 1.00 0.00 H new ATOM 0 HA ALA B 68 1.298 -11.008 -6.893 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.061 -9.657 -8.969 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.130 -8.961 -7.622 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.681 -8.232 -8.102 1.00 0.00 H new ATOM 1359 N LEU B 69 4.307 -9.730 -7.319 1.00 0.00 N ATOM 1360 CA LEU B 69 5.653 -9.971 -7.851 1.00 0.00 C ATOM 1361 C LEU B 69 6.256 -11.268 -7.300 1.00 0.00 C ATOM 1362 O LEU B 69 6.893 -12.017 -8.039 1.00 0.00 O ATOM 1363 CB LEU B 69 6.560 -8.752 -7.600 1.00 0.00 C ATOM 1364 CG LEU B 69 7.546 -8.488 -8.754 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.836 -7.883 -9.971 1.00 0.00 C ATOM 1366 CD2 LEU B 69 8.623 -7.500 -8.311 1.00 0.00 C ATOM 0 H LEU B 69 4.250 -8.892 -6.740 1.00 0.00 H new ATOM 0 HA LEU B 69 5.574 -10.105 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.939 -7.869 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.121 -8.907 -6.678 1.00 0.00 H new ATOM 0 HG LEU B 69 7.985 -9.448 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.561 -7.710 -10.766 1.00 0.00 H new ATOM 0 HD12 LEU B 69 6.068 -8.572 -10.324 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.373 -6.937 -9.689 1.00 0.00 H new ATOM 0 HD21 LEU B 69 9.314 -7.321 -9.135 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.156 -6.560 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU B 69 9.169 -7.913 -7.463 1.00 0.00 H new ATOM 1378 N ARG B 70 5.958 -11.580 -6.031 1.00 0.00 N ATOM 1379 CA ARG B 70 6.268 -12.858 -5.370 1.00 0.00 C ATOM 1380 C ARG B 70 5.640 -14.092 -6.042 1.00 0.00 C ATOM 1381 O ARG B 70 6.132 -15.204 -5.843 1.00 0.00 O ATOM 1382 CB ARG B 70 5.868 -12.809 -3.883 1.00 0.00 C ATOM 1383 CG ARG B 70 6.799 -11.928 -3.038 1.00 0.00 C ATOM 1384 CD ARG B 70 6.378 -11.978 -1.564 1.00 0.00 C ATOM 1385 NE ARG B 70 7.335 -11.261 -0.698 1.00 0.00 N ATOM 1386 CZ ARG B 70 7.402 -11.305 0.621 1.00 0.00 C ATOM 1387 NH1 ARG B 70 6.558 -11.995 1.336 1.00 0.00 N ATOM 1388 NH2 ARG B 70 8.332 -10.653 1.258 1.00 0.00 N ATOM 0 H ARG B 70 5.477 -10.926 -5.413 1.00 0.00 H new ATOM 0 HA ARG B 70 7.347 -12.979 -5.468 1.00 0.00 H new ATOM 0 HB2 ARG B 70 4.848 -12.434 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG B 70 5.870 -13.821 -3.479 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.829 -12.270 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG B 70 6.766 -10.900 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG B 70 5.387 -11.538 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG B 70 6.303 -13.017 -1.242 1.00 0.00 H new ATOM 0 HE ARG B 70 8.018 -10.668 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG B 70 5.815 -12.524 0.879 1.00 0.00 H new ATOM 0 HH12 ARG B 70 6.640 -12.006 2.353 1.00 0.00 H new ATOM 0 HH21 ARG B 70 9.016 -10.103 0.739 1.00 0.00 H new ATOM 0 HH22 ARG B 70 8.376 -10.692 2.276 1.00 0.00 H new ATOM 1402 N LYS B 71 4.576 -13.909 -6.837 1.00 0.00 N ATOM 1403 CA LYS B 71 3.869 -14.947 -7.613 1.00 0.00 C ATOM 1404 C LYS B 71 4.244 -14.938 -9.106 1.00 0.00 C ATOM 1405 O LYS B 71 4.309 -15.997 -9.730 1.00 0.00 O ATOM 1406 CB LYS B 71 2.363 -14.783 -7.388 1.00 0.00 C ATOM 1407 CG LYS B 71 1.544 -16.010 -7.813 1.00 0.00 C ATOM 1408 CD LYS B 71 0.049 -15.785 -7.531 1.00 0.00 C ATOM 1409 CE LYS B 71 -0.818 -16.986 -7.940 1.00 0.00 C ATOM 1410 NZ LYS B 71 -0.620 -18.161 -7.048 1.00 0.00 N ATOM 0 H LYS B 71 4.161 -12.986 -6.965 1.00 0.00 H new ATOM 0 HA LYS B 71 4.183 -15.928 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS B 71 2.181 -14.582 -6.332 1.00 0.00 H new ATOM 0 HB3 LYS B 71 2.013 -13.912 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS B 71 1.694 -16.205 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS B 71 1.893 -16.891 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS B 71 -0.090 -15.586 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS B 71 -0.289 -14.899 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS B 71 -1.868 -16.694 -7.924 1.00 0.00 H new ATOM 0 HE3 LYS B 71 -0.581 -17.268 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 -1.226 -18.944 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 0.376 -18.459 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 -0.871 -17.902 -6.072 1.00 0.00 H new ATOM 1424 N ILE B 72 4.517 -13.755 -9.668 1.00 0.00 N ATOM 1425 CA ILE B 72 5.019 -13.540 -11.036 1.00 0.00 C ATOM 1426 C ILE B 72 6.419 -14.164 -11.214 1.00 0.00 C ATOM 1427 O ILE B 72 6.658 -14.867 -12.200 1.00 0.00 O ATOM 1428 CB ILE B 72 5.010 -12.026 -11.372 1.00 0.00 C ATOM 1429 CG1 ILE B 72 3.562 -11.480 -11.438 1.00 0.00 C ATOM 1430 CG2 ILE B 72 5.710 -11.720 -12.708 1.00 0.00 C ATOM 1431 CD1 ILE B 72 3.467 -9.954 -11.292 1.00 0.00 C ATOM 0 H ILE B 72 4.389 -12.879 -9.161 1.00 0.00 H new ATOM 0 HA ILE B 72 4.357 -14.043 -11.741 1.00 0.00 H new ATOM 0 HB ILE B 72 5.559 -11.534 -10.569 1.00 0.00 H new ATOM 0 HG12 ILE B 72 3.116 -11.773 -12.389 1.00 0.00 H new ATOM 0 HG13 ILE B 72 2.971 -11.948 -10.651 1.00 0.00 H new ATOM 0 HG21 ILE B 72 5.677 -10.647 -12.899 1.00 0.00 H new ATOM 0 HG22 ILE B 72 6.748 -12.048 -12.658 1.00 0.00 H new ATOM 0 HG23 ILE B 72 5.201 -12.247 -13.515 1.00 0.00 H new ATOM 0 HD11 ILE B 72 2.423 -9.647 -11.348 1.00 0.00 H new ATOM 0 HD12 ILE B 72 3.882 -9.654 -10.330 1.00 0.00 H new ATOM 0 HD13 ILE B 72 4.029 -9.476 -12.094 1.00 0.00 H new ATOM 1443 N GLU B 73 7.339 -13.926 -10.269 1.00 0.00 N ATOM 1444 CA GLU B 73 8.686 -14.530 -10.207 1.00 0.00 C ATOM 1445 C GLU B 73 8.667 -16.062 -9.995 1.00 0.00 C ATOM 1446 O GLU B 73 9.309 -16.777 -10.799 1.00 0.00 O ATOM 1447 CB GLU B 73 9.510 -13.809 -9.124 1.00 0.00 C ATOM 1448 CG GLU B 73 10.958 -14.316 -9.041 1.00 0.00 C ATOM 1449 CD GLU B 73 11.845 -13.367 -8.207 1.00 0.00 C ATOM 1450 OE1 GLU B 73 11.938 -13.529 -6.965 1.00 0.00 O ATOM 1451 OE2 GLU B 73 12.471 -12.458 -8.809 1.00 0.00 O ATOM 0 H GLU B 73 7.163 -13.284 -9.496 1.00 0.00 H new ATOM 0 HA GLU B 73 9.159 -14.392 -11.179 1.00 0.00 H new ATOM 0 HB2 GLU B 73 9.516 -12.739 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU B 73 9.027 -13.944 -8.156 1.00 0.00 H new ATOM 0 HG2 GLU B 73 10.971 -15.311 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU B 73 11.369 -14.410 -10.046 1.00 0.00 H new TER 1458 GLU B 73