USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 634 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 67 CYS SG : rot -160:sc= 0.746 USER MOD Set 1.2: A 70 CYS SG : rot 140:sc= -1.68 USER MOD Set 1.3: A 74 TYR OH : rot 15:sc= -0.607 USER MOD Set 1.4: A 83 HIS : no HD1:sc= -0.404 K(o=-3.7,f=-11!) USER MOD Set 1.5: A 88 HIS : no HD1:sc= -1.78 X(o=-3.7,f=-3.8) USER MOD Set 2.1: A 39 CYS SG : rot -153:sc= -1.27 USER MOD Set 2.2: A 42 CYS SG : rot 180:sc= -1.88 USER MOD Set 2.3: A 55 HIS : no HD1:sc= -1.59 K(o=-6.9,f=-9.8!) USER MOD Set 2.4: A 60 HIS : no HE2:sc= -2.21 K(o=-6.9,f=-10) USER MOD Set 3.1: A 46 CYS SG : rot 130:sc= 0.0751 USER MOD Set 3.2: A 48 SER OG : rot 151:sc= 0.0977 USER MOD Set 3.3: A 51 HIS : no HD1:sc= 0.217 K(o=0.39,f=-0.53) USER MOD Set 4.1: A 12 CYS SG : rot -174:sc= 0.0832 USER MOD Set 4.2: A 15 CYS SG : rot 180:sc= -3.51! USER MOD Set 4.3: A 28 HIS : no HD1:sc= -17.7! C(o=-21!,f=-27!) USER MOD Set 4.4: A 32 HIS : no HE2:sc= 0.0136 K(o=-21,f=-23) USER MOD Set 5.1: A 17 TYR OH : rot 120:sc= -0.657 USER MOD Set 5.2: A 24 ASN : amide:sc= -0.0187 K(o=-0.68,f=-2.1) USER MOD Set 6.1: A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Set 6.2: A 26 ASN : amide:sc= -1.24! X(o=-1.2!,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0614) USER MOD Single : A 14 GLN : amide:sc= -3.32! C(o=-3.3!,f=-4.8!) USER MOD Single : A 16 SER OG : rot -53:sc= 0.21 USER MOD Single : A 19 SER OG : rot -85:sc= -0.249 USER MOD Single : A 31 LYS NZ :NH3+ -108:sc= -1.38! (180deg=-2.32!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -55:sc= 0.216 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0258) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -6.29! C(o=-6.3!,f=-13!) USER MOD Single : A 66 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.077) USER MOD Single : A 71 LYS NZ :NH3+ 135:sc= 0.149 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -83:sc= 1.21 USER MOD Single : A 78 LYS NZ :NH3+ 138:sc= -1.55! (180deg=-3.78!) USER MOD Single : A 79 ASN : amide:sc= -0.626 X(o=-0.63,f=-0.22) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -36.781 -9.768 -11.877 1.00 0.00 N ATOM 67 CA LYS A 8 -35.628 -9.524 -12.735 1.00 0.00 C ATOM 68 C LYS A 8 -34.519 -10.533 -12.456 1.00 0.00 C ATOM 69 O LYS A 8 -33.371 -10.174 -12.193 1.00 0.00 O ATOM 70 CB LYS A 8 -35.102 -8.102 -12.527 1.00 0.00 C ATOM 71 CG LYS A 8 -35.722 -7.081 -13.465 1.00 0.00 C ATOM 72 CD LYS A 8 -35.381 -5.660 -13.047 1.00 0.00 C ATOM 73 CE LYS A 8 -36.402 -4.664 -13.575 1.00 0.00 C ATOM 74 NZ LYS A 8 -36.448 -3.426 -12.748 1.00 0.00 N ATOM 0 HA LYS A 8 -35.948 -9.638 -13.771 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -35.293 -7.800 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -34.021 -8.100 -12.665 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -35.368 -7.257 -14.481 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -36.805 -7.208 -13.478 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -35.340 -5.599 -11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -34.390 -5.398 -13.418 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -36.157 -4.404 -14.605 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -37.388 -5.128 -13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -37.156 -2.773 -13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -36.707 -3.671 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -35.514 -2.969 -12.755 1.00 0.00 H new ATOM 88 N PRO A 9 -34.867 -11.828 -12.515 1.00 0.00 N ATOM 89 CA PRO A 9 -33.914 -12.915 -12.273 1.00 0.00 C ATOM 90 C PRO A 9 -32.882 -13.040 -13.389 1.00 0.00 C ATOM 91 O PRO A 9 -31.750 -13.464 -13.156 1.00 0.00 O ATOM 92 CB PRO A 9 -34.802 -14.161 -12.225 1.00 0.00 C ATOM 93 CG PRO A 9 -36.002 -13.802 -13.032 1.00 0.00 C ATOM 94 CD PRO A 9 -36.217 -12.329 -12.823 1.00 0.00 C ATOM 0 HA PRO A 9 -33.333 -12.753 -11.365 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -34.290 -15.028 -12.641 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -35.075 -14.413 -11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -35.844 -14.027 -14.087 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -36.873 -14.373 -12.711 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -36.629 -11.853 -13.713 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -36.913 -12.136 -12.007 1.00 0.00 H new ATOM 102 N TYR A 10 -33.280 -12.669 -14.601 1.00 0.00 N ATOM 103 CA TYR A 10 -32.390 -12.742 -15.753 1.00 0.00 C ATOM 104 C TYR A 10 -31.390 -11.589 -15.744 1.00 0.00 C ATOM 105 O TYR A 10 -31.764 -10.429 -15.569 1.00 0.00 O ATOM 106 CB TYR A 10 -33.199 -12.719 -17.051 1.00 0.00 C ATOM 107 CG TYR A 10 -34.228 -13.823 -17.143 1.00 0.00 C ATOM 108 CD1 TYR A 10 -35.428 -13.739 -16.447 1.00 0.00 C ATOM 109 CD2 TYR A 10 -34.001 -14.949 -17.923 1.00 0.00 C ATOM 110 CE1 TYR A 10 -36.372 -14.745 -16.527 1.00 0.00 C ATOM 111 CE2 TYR A 10 -34.939 -15.959 -18.010 1.00 0.00 C ATOM 112 CZ TYR A 10 -36.123 -15.853 -17.310 1.00 0.00 C ATOM 113 OH TYR A 10 -37.059 -16.858 -17.393 1.00 0.00 O ATOM 0 H TYR A 10 -34.213 -12.315 -14.811 1.00 0.00 H new ATOM 0 HA TYR A 10 -31.837 -13.679 -15.693 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -33.703 -11.756 -17.138 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -32.516 -12.799 -17.897 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -35.626 -12.873 -15.833 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -33.075 -15.037 -18.471 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -37.299 -14.664 -15.980 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -34.747 -16.827 -18.623 1.00 0.00 H new ATOM 0 HH TYR A 10 -36.729 -17.565 -17.986 1.00 0.00 H new ATOM 123 N LYS A 11 -30.117 -11.917 -15.933 1.00 0.00 N ATOM 124 CA LYS A 11 -29.061 -10.912 -15.949 1.00 0.00 C ATOM 125 C LYS A 11 -28.354 -10.886 -17.300 1.00 0.00 C ATOM 126 O LYS A 11 -28.274 -11.903 -17.990 1.00 0.00 O ATOM 127 CB LYS A 11 -28.048 -11.189 -14.836 1.00 0.00 C ATOM 128 CG LYS A 11 -28.381 -10.500 -13.524 1.00 0.00 C ATOM 129 CD LYS A 11 -29.254 -11.375 -12.641 1.00 0.00 C ATOM 130 CE LYS A 11 -30.024 -10.547 -11.623 1.00 0.00 C ATOM 131 NZ LYS A 11 -30.721 -11.404 -10.624 1.00 0.00 N ATOM 0 H LYS A 11 -29.791 -12.873 -16.077 1.00 0.00 H new ATOM 0 HA LYS A 11 -29.519 -9.937 -15.780 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -27.991 -12.264 -14.668 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -27.061 -10.865 -15.166 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -27.459 -10.254 -12.997 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -28.893 -9.559 -13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -29.954 -11.935 -13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -28.633 -12.105 -12.123 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -29.338 -9.874 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -30.754 -9.924 -12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -31.354 -10.817 -10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -31.279 -12.130 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -30.018 -11.865 -10.011 1.00 0.00 H new ATOM 145 N CYS A 12 -27.841 -9.718 -17.672 1.00 0.00 N ATOM 146 CA CYS A 12 -27.140 -9.559 -18.940 1.00 0.00 C ATOM 147 C CYS A 12 -25.673 -9.960 -18.804 1.00 0.00 C ATOM 148 O CYS A 12 -24.933 -9.430 -17.976 1.00 0.00 O ATOM 149 CB CYS A 12 -27.241 -8.112 -19.426 1.00 0.00 C ATOM 150 SG CYS A 12 -26.429 -7.806 -21.027 1.00 0.00 S ATOM 0 H CYS A 12 -27.898 -8.867 -17.112 1.00 0.00 H new ATOM 0 HA CYS A 12 -27.612 -10.214 -19.672 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -28.293 -7.840 -19.507 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -26.799 -7.456 -18.676 1.00 0.00 H new ATOM 0 HG CYS A 12 -26.466 -6.535 -21.296 1.00 0.00 H new ATOM 155 N PRO A 13 -25.243 -10.920 -19.637 1.00 0.00 N ATOM 156 CA PRO A 13 -23.863 -11.413 -19.630 1.00 0.00 C ATOM 157 C PRO A 13 -22.875 -10.377 -20.156 1.00 0.00 C ATOM 158 O PRO A 13 -21.664 -10.601 -20.145 1.00 0.00 O ATOM 159 CB PRO A 13 -23.914 -12.625 -20.564 1.00 0.00 C ATOM 160 CG PRO A 13 -25.065 -12.356 -21.471 1.00 0.00 C ATOM 161 CD PRO A 13 -26.071 -11.597 -20.649 1.00 0.00 C ATOM 0 HA PRO A 13 -23.520 -11.648 -18.623 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -22.985 -12.732 -21.124 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -24.058 -13.550 -20.005 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -24.751 -11.775 -22.338 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -25.491 -13.286 -21.848 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -26.629 -10.883 -21.255 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -26.801 -12.264 -20.190 1.00 0.00 H new ATOM 169 N GLN A 14 -23.399 -9.245 -20.614 1.00 0.00 N ATOM 170 CA GLN A 14 -22.561 -8.175 -21.143 1.00 0.00 C ATOM 171 C GLN A 14 -22.489 -7.006 -20.167 1.00 0.00 C ATOM 172 O GLN A 14 -21.441 -6.378 -20.010 1.00 0.00 O ATOM 173 CB GLN A 14 -23.101 -7.696 -22.492 1.00 0.00 C ATOM 174 CG GLN A 14 -23.047 -8.756 -23.580 1.00 0.00 C ATOM 175 CD GLN A 14 -22.876 -8.163 -24.965 1.00 0.00 C ATOM 176 OE1 GLN A 14 -22.284 -7.095 -25.126 1.00 0.00 O ATOM 177 NE2 GLN A 14 -23.394 -8.853 -25.973 1.00 0.00 N ATOM 0 H GLN A 14 -24.399 -9.045 -20.630 1.00 0.00 H new ATOM 0 HA GLN A 14 -21.555 -8.571 -21.282 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -24.133 -7.369 -22.365 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -22.529 -6.826 -22.815 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -22.222 -9.438 -23.377 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -23.963 -9.347 -23.552 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -23.876 -9.734 -25.794 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -23.310 -8.503 -26.927 1.00 0.00 H new ATOM 186 N CYS A 15 -23.609 -6.719 -19.512 1.00 0.00 N ATOM 187 CA CYS A 15 -23.673 -5.625 -18.551 1.00 0.00 C ATOM 188 C CYS A 15 -24.469 -6.033 -17.314 1.00 0.00 C ATOM 189 O CYS A 15 -24.876 -7.187 -17.178 1.00 0.00 O ATOM 190 CB CYS A 15 -24.308 -4.390 -19.194 1.00 0.00 C ATOM 191 SG CYS A 15 -26.127 -4.451 -19.286 1.00 0.00 S ATOM 0 H CYS A 15 -24.484 -7.229 -19.629 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.655 -5.385 -18.244 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -24.013 -3.507 -18.628 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -23.908 -4.272 -20.201 1.00 0.00 H new ATOM 0 HG CYS A 15 -26.570 -3.363 -19.843 1.00 0.00 H new ATOM 196 N SER A 16 -24.687 -5.078 -16.415 1.00 0.00 N ATOM 197 CA SER A 16 -25.430 -5.339 -15.188 1.00 0.00 C ATOM 198 C SER A 16 -26.928 -5.152 -15.411 1.00 0.00 C ATOM 199 O SER A 16 -27.652 -4.723 -14.512 1.00 0.00 O ATOM 200 CB SER A 16 -24.950 -4.413 -14.069 1.00 0.00 C ATOM 201 OG SER A 16 -25.393 -4.870 -12.803 1.00 0.00 O ATOM 0 H SER A 16 -24.360 -4.117 -16.514 1.00 0.00 H new ATOM 0 HA SER A 16 -25.249 -6.373 -14.896 1.00 0.00 H new ATOM 0 HB2 SER A 16 -23.861 -4.359 -14.079 1.00 0.00 H new ATOM 0 HB3 SER A 16 -25.321 -3.403 -14.245 1.00 0.00 H new ATOM 0 HG SER A 16 -26.364 -5.004 -12.825 1.00 0.00 H new ATOM 207 N TYR A 17 -27.386 -5.478 -16.614 1.00 0.00 N ATOM 208 CA TYR A 17 -28.797 -5.344 -16.957 1.00 0.00 C ATOM 209 C TYR A 17 -29.586 -6.569 -16.506 1.00 0.00 C ATOM 210 O TYR A 17 -29.093 -7.695 -16.566 1.00 0.00 O ATOM 211 CB TYR A 17 -28.960 -5.145 -18.465 1.00 0.00 C ATOM 212 CG TYR A 17 -30.388 -5.287 -18.943 1.00 0.00 C ATOM 213 CD1 TYR A 17 -31.266 -4.211 -18.898 1.00 0.00 C ATOM 214 CD2 TYR A 17 -30.858 -6.496 -19.440 1.00 0.00 C ATOM 215 CE1 TYR A 17 -32.571 -4.336 -19.333 1.00 0.00 C ATOM 216 CE2 TYR A 17 -32.161 -6.629 -19.879 1.00 0.00 C ATOM 217 CZ TYR A 17 -33.014 -5.546 -19.823 1.00 0.00 C ATOM 218 OH TYR A 17 -34.313 -5.676 -20.258 1.00 0.00 O ATOM 0 H TYR A 17 -26.801 -5.837 -17.368 1.00 0.00 H new ATOM 0 HA TYR A 17 -29.190 -4.470 -16.437 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -28.592 -4.155 -18.734 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -28.337 -5.870 -18.988 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -30.922 -3.261 -18.516 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -30.194 -7.346 -19.484 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -33.241 -3.490 -19.289 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -32.510 -7.576 -20.264 1.00 0.00 H new ATOM 0 HH TYR A 17 -34.317 -5.938 -21.202 1.00 0.00 H new ATOM 228 N ALA A 18 -30.815 -6.341 -16.055 1.00 0.00 N ATOM 229 CA ALA A 18 -31.674 -7.425 -15.595 1.00 0.00 C ATOM 230 C ALA A 18 -33.095 -7.259 -16.122 1.00 0.00 C ATOM 231 O ALA A 18 -33.641 -6.156 -16.128 1.00 0.00 O ATOM 232 CB ALA A 18 -31.676 -7.488 -14.075 1.00 0.00 C ATOM 0 H ALA A 18 -31.238 -5.415 -15.998 1.00 0.00 H new ATOM 0 HA ALA A 18 -31.277 -8.362 -15.985 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -32.322 -8.302 -13.745 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -30.661 -7.662 -13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -32.046 -6.545 -13.672 1.00 0.00 H new ATOM 238 N SER A 19 -33.690 -8.362 -16.565 1.00 0.00 N ATOM 239 CA SER A 19 -35.047 -8.338 -17.098 1.00 0.00 C ATOM 240 C SER A 19 -35.909 -9.410 -16.437 1.00 0.00 C ATOM 241 O SER A 19 -35.434 -10.503 -16.132 1.00 0.00 O ATOM 242 CB SER A 19 -35.026 -8.547 -18.614 1.00 0.00 C ATOM 243 OG SER A 19 -34.030 -9.485 -18.985 1.00 0.00 O ATOM 0 H SER A 19 -33.253 -9.284 -16.565 1.00 0.00 H new ATOM 0 HA SER A 19 -35.480 -7.362 -16.879 1.00 0.00 H new ATOM 0 HB2 SER A 19 -36.002 -8.896 -18.950 1.00 0.00 H new ATOM 0 HB3 SER A 19 -34.839 -7.596 -19.113 1.00 0.00 H new ATOM 0 HG SER A 19 -33.169 -9.027 -19.080 1.00 0.00 H new ATOM 249 N ALA A 20 -37.180 -9.086 -16.220 1.00 0.00 N ATOM 250 CA ALA A 20 -38.110 -10.020 -15.598 1.00 0.00 C ATOM 251 C ALA A 20 -38.566 -11.084 -16.591 1.00 0.00 C ATOM 252 O ALA A 20 -38.906 -12.203 -16.203 1.00 0.00 O ATOM 253 CB ALA A 20 -39.309 -9.273 -15.033 1.00 0.00 C ATOM 0 H ALA A 20 -37.588 -8.184 -16.466 1.00 0.00 H new ATOM 0 HA ALA A 20 -37.591 -10.522 -14.781 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -39.995 -9.983 -14.571 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -38.971 -8.556 -14.285 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -39.820 -8.744 -15.837 1.00 0.00 H new ATOM 259 N ILE A 21 -38.572 -10.728 -17.871 1.00 0.00 N ATOM 260 CA ILE A 21 -38.987 -11.653 -18.918 1.00 0.00 C ATOM 261 C ILE A 21 -37.786 -12.164 -19.707 1.00 0.00 C ATOM 262 O ILE A 21 -36.743 -11.512 -19.764 1.00 0.00 O ATOM 263 CB ILE A 21 -39.983 -10.994 -19.890 1.00 0.00 C ATOM 264 CG1 ILE A 21 -41.184 -10.436 -19.124 1.00 0.00 C ATOM 265 CG2 ILE A 21 -40.437 -11.994 -20.943 1.00 0.00 C ATOM 266 CD1 ILE A 21 -41.931 -9.355 -19.874 1.00 0.00 C ATOM 0 H ILE A 21 -38.294 -9.806 -18.208 1.00 0.00 H new ATOM 0 HA ILE A 21 -39.477 -12.491 -18.422 1.00 0.00 H new ATOM 0 HB ILE A 21 -39.482 -10.168 -20.394 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -41.871 -11.251 -18.898 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -40.842 -10.035 -18.170 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -41.141 -11.513 -21.622 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -39.573 -12.347 -21.506 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -40.923 -12.839 -20.456 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -42.769 -9.007 -19.271 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -41.258 -8.521 -20.076 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -42.304 -9.757 -20.816 1.00 0.00 H new ATOM 278 N LYS A 22 -37.940 -13.334 -20.318 1.00 0.00 N ATOM 279 CA LYS A 22 -36.870 -13.933 -21.107 1.00 0.00 C ATOM 280 C LYS A 22 -36.684 -13.187 -22.425 1.00 0.00 C ATOM 281 O LYS A 22 -35.575 -12.775 -22.764 1.00 0.00 O ATOM 282 CB LYS A 22 -37.175 -15.407 -21.383 1.00 0.00 C ATOM 283 CG LYS A 22 -36.196 -16.062 -22.341 1.00 0.00 C ATOM 284 CD LYS A 22 -34.914 -16.470 -21.635 1.00 0.00 C ATOM 285 CE LYS A 22 -34.165 -17.540 -22.414 1.00 0.00 C ATOM 286 NZ LYS A 22 -33.507 -16.983 -23.629 1.00 0.00 N ATOM 0 H LYS A 22 -38.797 -13.887 -20.282 1.00 0.00 H new ATOM 0 HA LYS A 22 -35.946 -13.861 -20.534 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -37.168 -15.953 -20.440 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -38.182 -15.490 -21.792 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -36.659 -16.939 -22.792 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -35.962 -15.372 -23.152 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -34.274 -15.597 -21.507 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -35.149 -16.842 -20.638 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -33.413 -17.998 -21.771 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -34.858 -18.329 -22.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -32.965 -17.732 -24.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -34.231 -16.614 -24.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -32.864 -16.213 -23.354 1.00 0.00 H new ATOM 300 N ALA A 23 -37.776 -13.014 -23.162 1.00 0.00 N ATOM 301 CA ALA A 23 -37.733 -12.315 -24.440 1.00 0.00 C ATOM 302 C ALA A 23 -36.967 -11.002 -24.321 1.00 0.00 C ATOM 303 O ALA A 23 -36.171 -10.655 -25.193 1.00 0.00 O ATOM 304 CB ALA A 23 -39.143 -12.061 -24.950 1.00 0.00 C ATOM 0 H ALA A 23 -38.702 -13.349 -22.896 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.208 -12.948 -25.155 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -39.096 -11.538 -25.905 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.659 -13.012 -25.082 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -39.686 -11.450 -24.229 1.00 0.00 H new ATOM 310 N ASN A 24 -37.213 -10.274 -23.236 1.00 0.00 N ATOM 311 CA ASN A 24 -36.547 -8.998 -23.004 1.00 0.00 C ATOM 312 C ASN A 24 -35.032 -9.148 -23.110 1.00 0.00 C ATOM 313 O ASN A 24 -34.405 -8.598 -24.017 1.00 0.00 O ATOM 314 CB ASN A 24 -36.920 -8.446 -21.627 1.00 0.00 C ATOM 315 CG ASN A 24 -36.955 -6.931 -21.601 1.00 0.00 C ATOM 316 OD1 ASN A 24 -36.343 -6.270 -22.440 1.00 0.00 O ATOM 317 ND2 ASN A 24 -37.674 -6.372 -20.634 1.00 0.00 N ATOM 0 H ASN A 24 -37.869 -10.546 -22.504 1.00 0.00 H new ATOM 0 HA ASN A 24 -36.880 -8.299 -23.771 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -37.896 -8.834 -21.335 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -36.202 -8.803 -20.889 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -37.735 -5.356 -20.566 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -38.165 -6.959 -19.960 1.00 0.00 H new ATOM 324 N LEU A 25 -34.450 -9.895 -22.179 1.00 0.00 N ATOM 325 CA LEU A 25 -33.009 -10.119 -22.168 1.00 0.00 C ATOM 326 C LEU A 25 -32.473 -10.293 -23.585 1.00 0.00 C ATOM 327 O LEU A 25 -31.414 -9.769 -23.928 1.00 0.00 O ATOM 328 CB LEU A 25 -32.671 -11.352 -21.327 1.00 0.00 C ATOM 329 CG LEU A 25 -31.184 -11.608 -21.080 1.00 0.00 C ATOM 330 CD1 LEU A 25 -30.555 -10.436 -20.344 1.00 0.00 C ATOM 331 CD2 LEU A 25 -30.988 -12.899 -20.298 1.00 0.00 C ATOM 0 H LEU A 25 -34.954 -10.356 -21.422 1.00 0.00 H new ATOM 0 HA LEU A 25 -32.534 -9.243 -21.726 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -33.168 -11.256 -20.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -33.094 -12.229 -21.818 1.00 0.00 H new ATOM 0 HG LEU A 25 -30.688 -11.712 -22.045 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -29.497 -10.637 -20.177 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -30.663 -9.531 -20.942 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -31.054 -10.299 -19.385 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -29.924 -13.065 -20.131 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -31.498 -12.824 -19.338 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -31.401 -13.734 -20.864 1.00 0.00 H new ATOM 343 N ASN A 26 -33.214 -11.031 -24.406 1.00 0.00 N ATOM 344 CA ASN A 26 -32.815 -11.273 -25.787 1.00 0.00 C ATOM 345 C ASN A 26 -32.739 -9.965 -26.569 1.00 0.00 C ATOM 346 O ASN A 26 -31.789 -9.728 -27.314 1.00 0.00 O ATOM 347 CB ASN A 26 -33.799 -12.228 -26.465 1.00 0.00 C ATOM 348 CG ASN A 26 -33.810 -13.601 -25.819 1.00 0.00 C ATOM 349 OD1 ASN A 26 -33.097 -14.507 -26.250 1.00 0.00 O ATOM 350 ND2 ASN A 26 -34.621 -13.759 -24.780 1.00 0.00 N ATOM 0 H ASN A 26 -34.094 -11.472 -24.138 1.00 0.00 H new ATOM 0 HA ASN A 26 -31.825 -11.729 -25.777 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -34.801 -11.802 -26.424 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -33.538 -12.327 -27.519 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -34.671 -14.660 -24.304 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -35.194 -12.979 -24.457 1.00 0.00 H new ATOM 357 N VAL A 27 -33.748 -9.117 -26.392 1.00 0.00 N ATOM 358 CA VAL A 27 -33.796 -7.832 -27.079 1.00 0.00 C ATOM 359 C VAL A 27 -32.755 -6.870 -26.517 1.00 0.00 C ATOM 360 O VAL A 27 -32.130 -6.111 -27.259 1.00 0.00 O ATOM 361 CB VAL A 27 -35.190 -7.186 -26.966 1.00 0.00 C ATOM 362 CG1 VAL A 27 -35.235 -6.216 -25.795 1.00 0.00 C ATOM 363 CG2 VAL A 27 -35.559 -6.486 -28.265 1.00 0.00 C ATOM 0 H VAL A 27 -34.543 -9.297 -25.779 1.00 0.00 H new ATOM 0 HA VAL A 27 -33.578 -8.026 -28.129 1.00 0.00 H new ATOM 0 HB VAL A 27 -35.923 -7.972 -26.783 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -36.227 -5.769 -25.731 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -35.017 -6.751 -24.871 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -34.493 -5.432 -25.944 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -36.547 -6.035 -28.168 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -34.825 -5.709 -28.481 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -35.570 -7.211 -29.079 1.00 0.00 H new ATOM 373 N HIS A 28 -32.573 -6.906 -25.201 1.00 0.00 N ATOM 374 CA HIS A 28 -31.606 -6.038 -24.538 1.00 0.00 C ATOM 375 C HIS A 28 -30.184 -6.376 -24.974 1.00 0.00 C ATOM 376 O HIS A 28 -29.266 -5.570 -24.815 1.00 0.00 O ATOM 377 CB HIS A 28 -31.731 -6.166 -23.020 1.00 0.00 C ATOM 378 CG HIS A 28 -30.609 -5.515 -22.270 1.00 0.00 C ATOM 379 ND1 HIS A 28 -30.679 -4.227 -21.781 1.00 0.00 N ATOM 380 CD2 HIS A 28 -29.387 -5.981 -21.924 1.00 0.00 C ATOM 381 CE1 HIS A 28 -29.546 -3.929 -21.169 1.00 0.00 C ATOM 382 NE2 HIS A 28 -28.746 -4.977 -21.241 1.00 0.00 N ATOM 0 H HIS A 28 -33.082 -7.527 -24.572 1.00 0.00 H new ATOM 0 HA HIS A 28 -31.820 -5.009 -24.827 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -32.675 -5.723 -22.703 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -31.770 -7.222 -22.755 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -28.989 -6.961 -22.144 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -29.314 -2.989 -20.691 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -27.805 -5.032 -20.852 1.00 0.00 H new ATOM 390 N LEU A 29 -30.008 -7.572 -25.524 1.00 0.00 N ATOM 391 CA LEU A 29 -28.696 -8.018 -25.983 1.00 0.00 C ATOM 392 C LEU A 29 -28.479 -7.653 -27.448 1.00 0.00 C ATOM 393 O LEU A 29 -27.343 -7.537 -27.907 1.00 0.00 O ATOM 394 CB LEU A 29 -28.555 -9.530 -25.795 1.00 0.00 C ATOM 395 CG LEU A 29 -28.497 -10.024 -24.350 1.00 0.00 C ATOM 396 CD1 LEU A 29 -28.842 -11.503 -24.277 1.00 0.00 C ATOM 397 CD2 LEU A 29 -27.122 -9.765 -23.752 1.00 0.00 C ATOM 0 H LEU A 29 -30.757 -8.251 -25.663 1.00 0.00 H new ATOM 0 HA LEU A 29 -27.938 -7.512 -25.386 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -29.394 -10.017 -26.291 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -27.649 -9.857 -26.306 1.00 0.00 H new ATOM 0 HG LEU A 29 -29.234 -9.471 -23.768 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -28.795 -11.837 -23.240 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -29.848 -11.661 -24.664 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -28.130 -12.073 -24.874 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -27.099 -10.123 -22.723 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -26.366 -10.291 -24.336 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -26.914 -8.695 -23.768 1.00 0.00 H new ATOM 409 N ARG A 30 -29.576 -7.472 -28.176 1.00 0.00 N ATOM 410 CA ARG A 30 -29.505 -7.120 -29.589 1.00 0.00 C ATOM 411 C ARG A 30 -28.714 -5.830 -29.789 1.00 0.00 C ATOM 412 O ARG A 30 -27.947 -5.701 -30.743 1.00 0.00 O ATOM 413 CB ARG A 30 -30.912 -6.962 -30.168 1.00 0.00 C ATOM 414 CG ARG A 30 -31.698 -8.262 -30.222 1.00 0.00 C ATOM 415 CD ARG A 30 -33.091 -8.048 -30.794 1.00 0.00 C ATOM 416 NE ARG A 30 -33.093 -8.082 -32.255 1.00 0.00 N ATOM 417 CZ ARG A 30 -34.184 -7.907 -32.992 1.00 0.00 C ATOM 418 NH1 ARG A 30 -35.354 -7.685 -32.408 1.00 0.00 N ATOM 419 NH2 ARG A 30 -34.106 -7.952 -34.316 1.00 0.00 N ATOM 0 H ARG A 30 -30.524 -7.563 -27.811 1.00 0.00 H new ATOM 0 HA ARG A 30 -28.992 -7.926 -30.113 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -31.464 -6.238 -29.568 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -30.837 -6.550 -31.174 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -31.161 -8.988 -30.832 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -31.776 -8.683 -29.220 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -33.762 -8.818 -30.412 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -33.480 -7.088 -30.453 1.00 0.00 H new ATOM 0 HE ARG A 30 -32.209 -8.249 -32.735 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -35.417 -7.648 -31.391 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -36.190 -7.551 -32.976 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -33.208 -8.121 -34.768 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -34.944 -7.818 -34.881 1.00 0.00 H new ATOM 433 N LYS A 31 -28.906 -4.878 -28.883 1.00 0.00 N ATOM 434 CA LYS A 31 -28.211 -3.599 -28.957 1.00 0.00 C ATOM 435 C LYS A 31 -26.768 -3.735 -28.481 1.00 0.00 C ATOM 436 O LYS A 31 -25.944 -2.848 -28.704 1.00 0.00 O ATOM 437 CB LYS A 31 -28.940 -2.549 -28.116 1.00 0.00 C ATOM 438 CG LYS A 31 -28.803 -2.767 -26.619 1.00 0.00 C ATOM 439 CD LYS A 31 -30.027 -3.456 -26.041 1.00 0.00 C ATOM 440 CE LYS A 31 -31.301 -2.687 -26.357 1.00 0.00 C ATOM 441 NZ LYS A 31 -31.981 -3.215 -27.572 1.00 0.00 N ATOM 0 H LYS A 31 -29.538 -4.968 -28.088 1.00 0.00 H new ATOM 0 HA LYS A 31 -28.203 -3.279 -29.999 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -28.553 -1.561 -28.368 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -29.997 -2.554 -28.380 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -27.917 -3.369 -26.418 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -28.656 -1.808 -26.123 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -30.101 -4.466 -26.444 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -29.916 -3.551 -24.961 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -31.980 -2.745 -25.507 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -31.062 -1.634 -26.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -31.869 -2.539 -28.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -31.557 -4.126 -27.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -32.993 -3.349 -27.373 1.00 0.00 H new ATOM 455 N HIS A 32 -26.469 -4.851 -27.825 1.00 0.00 N ATOM 456 CA HIS A 32 -25.125 -5.104 -27.319 1.00 0.00 C ATOM 457 C HIS A 32 -24.224 -5.652 -28.422 1.00 0.00 C ATOM 458 O HIS A 32 -23.216 -6.306 -28.148 1.00 0.00 O ATOM 459 CB HIS A 32 -25.174 -6.087 -26.149 1.00 0.00 C ATOM 460 CG HIS A 32 -25.314 -5.422 -24.814 1.00 0.00 C ATOM 461 ND1 HIS A 32 -24.438 -4.461 -24.356 1.00 0.00 N ATOM 462 CD2 HIS A 32 -26.237 -5.584 -23.837 1.00 0.00 C ATOM 463 CE1 HIS A 32 -24.815 -4.062 -23.154 1.00 0.00 C ATOM 464 NE2 HIS A 32 -25.905 -4.728 -22.817 1.00 0.00 N ATOM 0 H HIS A 32 -27.139 -5.595 -27.631 1.00 0.00 H new ATOM 0 HA HIS A 32 -24.710 -4.158 -26.971 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -26.010 -6.771 -26.295 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -24.265 -6.689 -26.152 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -23.626 -4.112 -24.865 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -27.078 -6.261 -23.857 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -24.317 -3.318 -22.550 1.00 0.00 H new ATOM 508 N LYS A 36 -16.963 -3.852 -32.354 1.00 0.00 N ATOM 509 CA LYS A 36 -16.325 -4.299 -31.122 1.00 0.00 C ATOM 510 C LYS A 36 -14.955 -3.649 -30.952 1.00 0.00 C ATOM 511 O LYS A 36 -13.991 -4.027 -31.617 1.00 0.00 O ATOM 512 CB LYS A 36 -16.181 -5.823 -31.122 1.00 0.00 C ATOM 513 CG LYS A 36 -17.499 -6.558 -30.949 1.00 0.00 C ATOM 514 CD LYS A 36 -17.302 -7.902 -30.268 1.00 0.00 C ATOM 515 CE LYS A 36 -18.578 -8.373 -29.587 1.00 0.00 C ATOM 516 NZ LYS A 36 -19.585 -8.860 -30.570 1.00 0.00 N ATOM 0 HA LYS A 36 -16.957 -3.999 -30.286 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.720 -6.136 -32.059 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -15.503 -6.116 -30.320 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.183 -5.947 -30.360 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.964 -6.707 -31.923 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.987 -8.641 -31.004 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.502 -7.824 -29.531 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.341 -9.172 -28.884 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.003 -7.554 -29.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.440 -9.172 -30.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.831 -8.091 -31.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.189 -9.658 -31.106 1.00 0.00 H new ATOM 530 N PHE A 37 -14.877 -2.670 -30.057 1.00 0.00 N ATOM 531 CA PHE A 37 -13.625 -1.967 -29.800 1.00 0.00 C ATOM 532 C PHE A 37 -12.873 -2.606 -28.636 1.00 0.00 C ATOM 533 O PHE A 37 -13.162 -2.332 -27.471 1.00 0.00 O ATOM 534 CB PHE A 37 -13.897 -0.492 -29.499 1.00 0.00 C ATOM 535 CG PHE A 37 -14.943 0.119 -30.387 1.00 0.00 C ATOM 536 CD1 PHE A 37 -16.290 -0.050 -30.111 1.00 0.00 C ATOM 537 CD2 PHE A 37 -14.578 0.862 -31.498 1.00 0.00 C ATOM 538 CE1 PHE A 37 -17.255 0.511 -30.926 1.00 0.00 C ATOM 539 CE2 PHE A 37 -15.539 1.426 -32.317 1.00 0.00 C ATOM 540 CZ PHE A 37 -16.879 1.249 -32.031 1.00 0.00 C ATOM 0 H PHE A 37 -15.666 -2.345 -29.497 1.00 0.00 H new ATOM 0 HA PHE A 37 -13.005 -2.039 -30.694 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.212 -0.394 -28.460 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -12.969 0.069 -29.605 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -16.590 -0.627 -29.249 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.532 1.002 -31.727 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -18.302 0.372 -30.699 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -15.242 2.004 -33.179 1.00 0.00 H new ATOM 0 HZ PHE A 37 -17.631 1.687 -32.670 1.00 0.00 H new ATOM 550 N ALA A 38 -11.907 -3.458 -28.961 1.00 0.00 N ATOM 551 CA ALA A 38 -11.111 -4.135 -27.944 1.00 0.00 C ATOM 552 C ALA A 38 -10.148 -3.166 -27.265 1.00 0.00 C ATOM 553 O ALA A 38 -9.725 -2.176 -27.862 1.00 0.00 O ATOM 554 CB ALA A 38 -10.347 -5.298 -28.558 1.00 0.00 C ATOM 0 H ALA A 38 -11.656 -3.696 -29.921 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.791 -4.522 -27.185 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.757 -5.794 -27.787 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.052 -6.009 -28.989 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.684 -4.926 -29.339 1.00 0.00 H new ATOM 560 N CYS A 39 -9.806 -3.458 -26.015 1.00 0.00 N ATOM 561 CA CYS A 39 -8.894 -2.612 -25.255 1.00 0.00 C ATOM 562 C CYS A 39 -7.447 -2.857 -25.675 1.00 0.00 C ATOM 563 O CYS A 39 -7.023 -4.000 -25.842 1.00 0.00 O ATOM 564 CB CYS A 39 -9.052 -2.875 -23.756 1.00 0.00 C ATOM 565 SG CYS A 39 -7.971 -1.853 -22.704 1.00 0.00 S ATOM 0 H CYS A 39 -10.147 -4.274 -25.507 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.144 -1.572 -25.464 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -10.090 -2.697 -23.474 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -8.844 -3.927 -23.559 1.00 0.00 H new ATOM 0 HG CYS A 39 -7.740 -2.475 -21.586 1.00 0.00 H new ATOM 570 N ASP A 40 -6.696 -1.775 -25.845 1.00 0.00 N ATOM 571 CA ASP A 40 -5.296 -1.870 -26.245 1.00 0.00 C ATOM 572 C ASP A 40 -4.398 -2.090 -25.031 1.00 0.00 C ATOM 573 O ASP A 40 -3.189 -1.869 -25.093 1.00 0.00 O ATOM 574 CB ASP A 40 -4.869 -0.605 -26.989 1.00 0.00 C ATOM 575 CG ASP A 40 -5.069 -0.718 -28.487 1.00 0.00 C ATOM 576 OD1 ASP A 40 -6.219 -0.553 -28.946 1.00 0.00 O ATOM 577 OD2 ASP A 40 -4.076 -0.971 -29.201 1.00 0.00 O ATOM 0 H ASP A 40 -7.033 -0.821 -25.712 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.191 -2.726 -26.912 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.439 0.244 -26.612 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.819 -0.401 -26.780 1.00 0.00 H new ATOM 582 N TYR A 41 -4.998 -2.526 -23.929 1.00 0.00 N ATOM 583 CA TYR A 41 -4.254 -2.772 -22.700 1.00 0.00 C ATOM 584 C TYR A 41 -4.501 -4.187 -22.187 1.00 0.00 C ATOM 585 O TYR A 41 -3.625 -4.802 -21.579 1.00 0.00 O ATOM 586 CB TYR A 41 -4.646 -1.753 -21.628 1.00 0.00 C ATOM 587 CG TYR A 41 -4.340 -0.323 -22.012 1.00 0.00 C ATOM 588 CD1 TYR A 41 -4.941 0.265 -23.118 1.00 0.00 C ATOM 589 CD2 TYR A 41 -3.449 0.441 -21.267 1.00 0.00 C ATOM 590 CE1 TYR A 41 -4.664 1.571 -23.472 1.00 0.00 C ATOM 591 CE2 TYR A 41 -3.167 1.749 -21.613 1.00 0.00 C ATOM 592 CZ TYR A 41 -3.776 2.309 -22.717 1.00 0.00 C ATOM 593 OH TYR A 41 -3.499 3.610 -23.065 1.00 0.00 O ATOM 0 H TYR A 41 -5.998 -2.716 -23.862 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.192 -2.666 -22.922 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.713 -1.845 -21.424 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.122 -1.992 -20.702 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.637 -0.309 -23.711 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.969 0.005 -20.403 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.140 2.012 -24.335 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.474 2.330 -21.022 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.855 3.988 -22.430 1.00 0.00 H new ATOM 603 N CYS A 42 -5.702 -4.698 -22.437 1.00 0.00 N ATOM 604 CA CYS A 42 -6.068 -6.040 -22.002 1.00 0.00 C ATOM 605 C CYS A 42 -7.008 -6.701 -23.007 1.00 0.00 C ATOM 606 O CYS A 42 -7.291 -6.143 -24.067 1.00 0.00 O ATOM 607 CB CYS A 42 -6.731 -5.990 -20.624 1.00 0.00 C ATOM 608 SG CYS A 42 -8.361 -5.175 -20.613 1.00 0.00 S ATOM 0 H CYS A 42 -6.439 -4.202 -22.939 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.157 -6.634 -21.938 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.843 -7.007 -20.249 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.070 -5.466 -19.933 1.00 0.00 H new ATOM 0 HG CYS A 42 -8.842 -5.183 -19.405 1.00 0.00 H new ATOM 613 N SER A 43 -7.489 -7.892 -22.665 1.00 0.00 N ATOM 614 CA SER A 43 -8.394 -8.630 -23.538 1.00 0.00 C ATOM 615 C SER A 43 -9.834 -8.165 -23.346 1.00 0.00 C ATOM 616 O SER A 43 -10.772 -8.956 -23.444 1.00 0.00 O ATOM 617 CB SER A 43 -8.290 -10.131 -23.264 1.00 0.00 C ATOM 618 OG SER A 43 -8.881 -10.883 -24.309 1.00 0.00 O ATOM 0 H SER A 43 -7.267 -8.366 -21.790 1.00 0.00 H new ATOM 0 HA SER A 43 -8.102 -8.435 -24.570 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.242 -10.412 -23.157 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.781 -10.366 -22.320 1.00 0.00 H new ATOM 0 HG SER A 43 -9.806 -10.588 -24.441 1.00 0.00 H new ATOM 624 N PHE A 44 -10.001 -6.876 -23.071 1.00 0.00 N ATOM 625 CA PHE A 44 -11.326 -6.303 -22.863 1.00 0.00 C ATOM 626 C PHE A 44 -11.954 -5.889 -24.191 1.00 0.00 C ATOM 627 O PHE A 44 -11.256 -5.684 -25.185 1.00 0.00 O ATOM 628 CB PHE A 44 -11.243 -5.096 -21.927 1.00 0.00 C ATOM 629 CG PHE A 44 -12.523 -4.317 -21.838 1.00 0.00 C ATOM 630 CD1 PHE A 44 -12.775 -3.270 -22.711 1.00 0.00 C ATOM 631 CD2 PHE A 44 -13.476 -4.630 -20.882 1.00 0.00 C ATOM 632 CE1 PHE A 44 -13.953 -2.551 -22.632 1.00 0.00 C ATOM 633 CE2 PHE A 44 -14.656 -3.915 -20.799 1.00 0.00 C ATOM 634 CZ PHE A 44 -14.894 -2.873 -21.674 1.00 0.00 C ATOM 0 H PHE A 44 -9.235 -6.208 -22.987 1.00 0.00 H new ATOM 0 HA PHE A 44 -11.956 -7.066 -22.405 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.965 -5.438 -20.930 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.448 -4.434 -22.270 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.042 -3.013 -23.462 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -13.295 -5.442 -20.194 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -14.137 -1.738 -23.319 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -15.391 -4.171 -20.051 1.00 0.00 H new ATOM 0 HZ PHE A 44 -15.814 -2.311 -21.609 1.00 0.00 H new ATOM 644 N THR A 45 -13.278 -5.768 -24.201 1.00 0.00 N ATOM 645 CA THR A 45 -14.001 -5.381 -25.405 1.00 0.00 C ATOM 646 C THR A 45 -15.285 -4.635 -25.059 1.00 0.00 C ATOM 647 O THR A 45 -15.852 -4.822 -23.982 1.00 0.00 O ATOM 648 CB THR A 45 -14.350 -6.607 -26.270 1.00 0.00 C ATOM 649 OG1 THR A 45 -14.884 -7.650 -25.447 1.00 0.00 O ATOM 650 CG2 THR A 45 -13.122 -7.115 -27.009 1.00 0.00 C ATOM 0 H THR A 45 -13.871 -5.933 -23.388 1.00 0.00 H new ATOM 0 HA THR A 45 -13.342 -4.722 -25.971 1.00 0.00 H new ATOM 0 HB THR A 45 -15.097 -6.306 -27.005 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.105 -8.425 -26.004 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.393 -7.981 -27.613 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.735 -6.328 -27.656 1.00 0.00 H new ATOM 0 HG23 THR A 45 -12.356 -7.401 -26.288 1.00 0.00 H new ATOM 658 N CYS A 46 -15.738 -3.790 -25.979 1.00 0.00 N ATOM 659 CA CYS A 46 -16.956 -3.015 -25.770 1.00 0.00 C ATOM 660 C CYS A 46 -17.674 -2.764 -27.093 1.00 0.00 C ATOM 661 O CYS A 46 -17.159 -3.091 -28.163 1.00 0.00 O ATOM 662 CB CYS A 46 -16.629 -1.683 -25.094 1.00 0.00 C ATOM 663 SG CYS A 46 -18.006 -0.968 -24.165 1.00 0.00 S ATOM 0 H CYS A 46 -15.281 -3.624 -26.876 1.00 0.00 H new ATOM 0 HA CYS A 46 -17.616 -3.591 -25.121 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -15.786 -1.828 -24.419 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.309 -0.971 -25.855 1.00 0.00 H new ATOM 0 HG CYS A 46 -17.603 -0.645 -22.972 1.00 0.00 H new ATOM 669 N LEU A 47 -18.866 -2.184 -27.012 1.00 0.00 N ATOM 670 CA LEU A 47 -19.657 -1.891 -28.202 1.00 0.00 C ATOM 671 C LEU A 47 -19.873 -0.389 -28.356 1.00 0.00 C ATOM 672 O LEU A 47 -20.938 0.054 -28.784 1.00 0.00 O ATOM 673 CB LEU A 47 -21.007 -2.608 -28.131 1.00 0.00 C ATOM 674 CG LEU A 47 -21.002 -4.088 -28.513 1.00 0.00 C ATOM 675 CD1 LEU A 47 -20.600 -4.263 -29.970 1.00 0.00 C ATOM 676 CD2 LEU A 47 -20.066 -4.871 -27.603 1.00 0.00 C ATOM 0 H LEU A 47 -19.306 -1.907 -26.135 1.00 0.00 H new ATOM 0 HA LEU A 47 -19.107 -2.251 -29.071 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -21.391 -2.517 -27.115 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -21.707 -2.087 -28.784 1.00 0.00 H new ATOM 0 HG LEU A 47 -22.012 -4.479 -28.386 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.602 -5.323 -30.223 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -21.309 -3.736 -30.609 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.601 -3.855 -30.123 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -20.075 -5.923 -27.890 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -19.054 -4.478 -27.697 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -20.398 -4.774 -26.569 1.00 0.00 H new ATOM 688 N SER A 48 -18.854 0.389 -28.006 1.00 0.00 N ATOM 689 CA SER A 48 -18.933 1.842 -28.104 1.00 0.00 C ATOM 690 C SER A 48 -17.589 2.482 -27.768 1.00 0.00 C ATOM 691 O SER A 48 -17.195 2.552 -26.604 1.00 0.00 O ATOM 692 CB SER A 48 -20.015 2.379 -27.167 1.00 0.00 C ATOM 693 OG SER A 48 -20.008 1.688 -25.929 1.00 0.00 O ATOM 0 H SER A 48 -17.964 0.038 -27.652 1.00 0.00 H new ATOM 0 HA SER A 48 -19.192 2.099 -29.131 1.00 0.00 H new ATOM 0 HB2 SER A 48 -19.855 3.443 -26.994 1.00 0.00 H new ATOM 0 HB3 SER A 48 -20.992 2.276 -27.639 1.00 0.00 H new ATOM 0 HG SER A 48 -20.321 2.286 -25.219 1.00 0.00 H new ATOM 699 N LYS A 49 -16.891 2.950 -28.797 1.00 0.00 N ATOM 700 CA LYS A 49 -15.592 3.587 -28.614 1.00 0.00 C ATOM 701 C LYS A 49 -15.577 4.440 -27.350 1.00 0.00 C ATOM 702 O LYS A 49 -14.663 4.339 -26.532 1.00 0.00 O ATOM 703 CB LYS A 49 -15.249 4.452 -29.830 1.00 0.00 C ATOM 704 CG LYS A 49 -16.428 5.248 -30.361 1.00 0.00 C ATOM 705 CD LYS A 49 -16.157 5.780 -31.759 1.00 0.00 C ATOM 706 CE LYS A 49 -17.437 5.881 -32.574 1.00 0.00 C ATOM 707 NZ LYS A 49 -18.418 6.815 -31.955 1.00 0.00 N ATOM 0 H LYS A 49 -17.203 2.900 -29.767 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.842 2.803 -28.510 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.448 5.140 -29.561 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.866 3.812 -30.625 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.317 4.617 -30.377 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.639 6.080 -29.689 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.689 6.762 -31.691 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.451 5.125 -32.268 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.199 6.220 -33.582 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.886 4.892 -32.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.248 6.908 -32.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.716 6.443 -31.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.976 7.748 -31.826 1.00 0.00 H new ATOM 721 N GLY A 50 -16.597 5.279 -27.195 1.00 0.00 N ATOM 722 CA GLY A 50 -16.682 6.135 -26.027 1.00 0.00 C ATOM 723 C GLY A 50 -16.449 5.378 -24.734 1.00 0.00 C ATOM 724 O GLY A 50 -15.523 5.687 -23.984 1.00 0.00 O ATOM 0 H GLY A 50 -17.366 5.381 -27.858 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.947 6.936 -26.113 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.664 6.606 -25.996 1.00 0.00 H new ATOM 728 N HIS A 51 -17.292 4.384 -24.472 1.00 0.00 N ATOM 729 CA HIS A 51 -17.173 3.582 -23.260 1.00 0.00 C ATOM 730 C HIS A 51 -15.775 2.983 -23.139 1.00 0.00 C ATOM 731 O HIS A 51 -15.143 3.063 -22.085 1.00 0.00 O ATOM 732 CB HIS A 51 -18.219 2.467 -23.257 1.00 0.00 C ATOM 733 CG HIS A 51 -19.548 2.894 -22.714 1.00 0.00 C ATOM 734 ND1 HIS A 51 -20.735 2.283 -23.061 1.00 0.00 N ATOM 735 CD2 HIS A 51 -19.874 3.877 -21.842 1.00 0.00 C ATOM 736 CE1 HIS A 51 -21.733 2.873 -22.428 1.00 0.00 C ATOM 737 NE2 HIS A 51 -21.237 3.843 -21.681 1.00 0.00 N ATOM 0 H HIS A 51 -18.064 4.115 -25.082 1.00 0.00 H new ATOM 0 HA HIS A 51 -17.345 4.235 -22.404 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.352 2.102 -24.275 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -17.846 1.631 -22.665 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -19.189 4.561 -21.362 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -22.777 2.608 -22.508 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -21.779 4.466 -21.082 1.00 0.00 H new ATOM 745 N LEU A 52 -15.297 2.384 -24.224 1.00 0.00 N ATOM 746 CA LEU A 52 -13.974 1.771 -24.240 1.00 0.00 C ATOM 747 C LEU A 52 -12.925 2.725 -23.676 1.00 0.00 C ATOM 748 O LEU A 52 -12.029 2.314 -22.939 1.00 0.00 O ATOM 749 CB LEU A 52 -13.595 1.364 -25.665 1.00 0.00 C ATOM 750 CG LEU A 52 -12.124 1.018 -25.896 1.00 0.00 C ATOM 751 CD1 LEU A 52 -11.713 -0.169 -25.039 1.00 0.00 C ATOM 752 CD2 LEU A 52 -11.869 0.729 -27.368 1.00 0.00 C ATOM 0 H LEU A 52 -15.806 2.310 -25.105 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.006 0.881 -23.611 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.199 0.502 -25.948 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.866 2.178 -26.338 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.519 1.877 -25.604 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.663 -0.400 -25.217 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.857 0.075 -23.986 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.324 -1.034 -25.298 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.817 0.485 -27.514 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.484 -0.113 -27.685 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.123 1.608 -27.961 1.00 0.00 H new ATOM 764 N LYS A 53 -13.045 4.001 -24.025 1.00 0.00 N ATOM 765 CA LYS A 53 -12.111 5.015 -23.552 1.00 0.00 C ATOM 766 C LYS A 53 -12.132 5.106 -22.029 1.00 0.00 C ATOM 767 O LYS A 53 -11.096 5.308 -21.395 1.00 0.00 O ATOM 768 CB LYS A 53 -12.454 6.377 -24.159 1.00 0.00 C ATOM 769 CG LYS A 53 -13.259 7.272 -23.232 1.00 0.00 C ATOM 770 CD LYS A 53 -14.072 8.293 -24.009 1.00 0.00 C ATOM 771 CE LYS A 53 -15.256 8.797 -23.198 1.00 0.00 C ATOM 772 NZ LYS A 53 -14.895 9.975 -22.363 1.00 0.00 N ATOM 0 H LYS A 53 -13.781 4.358 -24.635 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.109 4.725 -23.868 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.530 6.887 -24.431 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.016 6.223 -25.080 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.926 6.661 -22.624 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.586 7.787 -22.547 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.435 9.133 -24.285 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.429 7.846 -24.937 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.070 9.065 -23.872 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -15.624 7.996 -22.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.729 10.288 -21.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.136 9.713 -21.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.568 10.748 -22.977 1.00 0.00 H new ATOM 786 N VAL A 54 -13.318 4.954 -21.448 1.00 0.00 N ATOM 787 CA VAL A 54 -13.473 5.016 -19.999 1.00 0.00 C ATOM 788 C VAL A 54 -12.782 3.837 -19.322 1.00 0.00 C ATOM 789 O VAL A 54 -12.100 4.002 -18.310 1.00 0.00 O ATOM 790 CB VAL A 54 -14.959 5.028 -19.594 1.00 0.00 C ATOM 791 CG1 VAL A 54 -15.099 5.065 -18.080 1.00 0.00 C ATOM 792 CG2 VAL A 54 -15.675 6.208 -20.233 1.00 0.00 C ATOM 0 H VAL A 54 -14.185 4.787 -21.958 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.007 5.945 -19.670 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.424 4.111 -19.956 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -16.156 5.073 -17.812 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -14.622 4.185 -17.649 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.620 5.964 -17.692 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.724 6.201 -19.936 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.211 7.137 -19.903 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.604 6.132 -21.318 1.00 0.00 H new ATOM 802 N HIS A 55 -12.964 2.648 -19.886 1.00 0.00 N ATOM 803 CA HIS A 55 -12.357 1.440 -19.337 1.00 0.00 C ATOM 804 C HIS A 55 -10.858 1.632 -19.130 1.00 0.00 C ATOM 805 O HIS A 55 -10.290 1.148 -18.151 1.00 0.00 O ATOM 806 CB HIS A 55 -12.608 0.251 -20.264 1.00 0.00 C ATOM 807 CG HIS A 55 -11.675 -0.897 -20.032 1.00 0.00 C ATOM 808 ND1 HIS A 55 -11.901 -1.871 -19.082 1.00 0.00 N ATOM 809 CD2 HIS A 55 -10.508 -1.225 -20.634 1.00 0.00 C ATOM 810 CE1 HIS A 55 -10.913 -2.747 -19.109 1.00 0.00 C ATOM 811 NE2 HIS A 55 -10.054 -2.378 -20.042 1.00 0.00 N ATOM 0 H HIS A 55 -13.527 2.494 -20.723 1.00 0.00 H new ATOM 0 HA HIS A 55 -12.817 1.239 -18.369 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -13.634 -0.093 -20.131 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.514 0.581 -21.299 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.024 -0.681 -21.432 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.823 -3.617 -18.476 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.193 -2.869 -20.284 1.00 0.00 H new ATOM 819 N ILE A 56 -10.223 2.339 -20.059 1.00 0.00 N ATOM 820 CA ILE A 56 -8.790 2.594 -19.978 1.00 0.00 C ATOM 821 C ILE A 56 -8.489 3.737 -19.015 1.00 0.00 C ATOM 822 O ILE A 56 -7.470 3.728 -18.325 1.00 0.00 O ATOM 823 CB ILE A 56 -8.199 2.932 -21.359 1.00 0.00 C ATOM 824 CG1 ILE A 56 -8.299 1.723 -22.291 1.00 0.00 C ATOM 825 CG2 ILE A 56 -6.752 3.382 -21.220 1.00 0.00 C ATOM 826 CD1 ILE A 56 -8.218 2.082 -23.758 1.00 0.00 C ATOM 0 H ILE A 56 -10.678 2.745 -20.876 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.327 1.679 -19.608 1.00 0.00 H new ATOM 0 HB ILE A 56 -8.774 3.750 -21.793 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.498 1.023 -22.052 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.240 1.207 -22.103 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.348 3.617 -22.205 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.706 4.268 -20.587 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.164 2.583 -20.768 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.296 1.176 -24.359 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.034 2.758 -24.013 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.265 2.571 -23.961 1.00 0.00 H new ATOM 838 N GLU A 57 -9.384 4.719 -18.972 1.00 0.00 N ATOM 839 CA GLU A 57 -9.213 5.870 -18.092 1.00 0.00 C ATOM 840 C GLU A 57 -9.562 5.509 -16.651 1.00 0.00 C ATOM 841 O GLU A 57 -9.314 6.284 -15.728 1.00 0.00 O ATOM 842 CB GLU A 57 -10.087 7.034 -18.564 1.00 0.00 C ATOM 843 CG GLU A 57 -9.846 7.428 -20.011 1.00 0.00 C ATOM 844 CD GLU A 57 -8.808 8.524 -20.153 1.00 0.00 C ATOM 845 OE1 GLU A 57 -7.639 8.286 -19.783 1.00 0.00 O ATOM 846 OE2 GLU A 57 -9.165 9.619 -20.635 1.00 0.00 O ATOM 0 H GLU A 57 -10.234 4.741 -19.535 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.166 6.172 -18.129 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.136 6.764 -18.440 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.903 7.898 -17.925 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.523 6.552 -20.573 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.784 7.762 -20.454 1.00 0.00 H new ATOM 853 N ARG A 58 -10.140 4.326 -16.467 1.00 0.00 N ATOM 854 CA ARG A 58 -10.525 3.862 -15.140 1.00 0.00 C ATOM 855 C ARG A 58 -9.696 2.650 -14.725 1.00 0.00 C ATOM 856 O ARG A 58 -9.252 2.550 -13.581 1.00 0.00 O ATOM 857 CB ARG A 58 -12.013 3.509 -15.111 1.00 0.00 C ATOM 858 CG ARG A 58 -12.315 2.101 -15.597 1.00 0.00 C ATOM 859 CD ARG A 58 -13.803 1.901 -15.838 1.00 0.00 C ATOM 860 NE ARG A 58 -14.574 1.987 -14.600 1.00 0.00 N ATOM 861 CZ ARG A 58 -15.882 2.212 -14.564 1.00 0.00 C ATOM 862 NH1 ARG A 58 -16.563 2.371 -15.691 1.00 0.00 N ATOM 863 NH2 ARG A 58 -16.514 2.277 -13.399 1.00 0.00 N ATOM 0 H ARG A 58 -10.352 3.672 -17.220 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.336 4.669 -14.432 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.384 3.620 -14.092 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.559 4.222 -15.729 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.767 1.908 -16.519 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.964 1.378 -14.861 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.161 2.653 -16.541 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.968 0.928 -16.301 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.081 1.868 -13.715 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.082 2.321 -16.589 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.568 2.544 -15.660 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.995 2.154 -12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.519 2.450 -13.373 1.00 0.00 H new ATOM 877 N VAL A 59 -9.491 1.731 -15.664 1.00 0.00 N ATOM 878 CA VAL A 59 -8.715 0.526 -15.397 1.00 0.00 C ATOM 879 C VAL A 59 -7.224 0.778 -15.592 1.00 0.00 C ATOM 880 O VAL A 59 -6.442 0.711 -14.643 1.00 0.00 O ATOM 881 CB VAL A 59 -9.152 -0.636 -16.308 1.00 0.00 C ATOM 882 CG1 VAL A 59 -8.360 -1.894 -15.986 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.646 -0.887 -16.171 1.00 0.00 C ATOM 0 H VAL A 59 -9.852 1.798 -16.616 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.901 0.253 -14.358 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.946 -0.361 -17.342 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.683 -2.704 -16.640 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.298 -1.705 -16.140 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.531 -2.176 -14.947 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.938 -1.711 -16.822 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.879 -1.141 -15.137 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.194 0.011 -16.456 1.00 0.00 H new ATOM 893 N HIS A 60 -6.836 1.068 -16.830 1.00 0.00 N ATOM 894 CA HIS A 60 -5.437 1.332 -17.151 1.00 0.00 C ATOM 895 C HIS A 60 -5.151 2.830 -17.141 1.00 0.00 C ATOM 896 O HIS A 60 -4.490 3.352 -18.039 1.00 0.00 O ATOM 897 CB HIS A 60 -5.086 0.742 -18.517 1.00 0.00 C ATOM 898 CG HIS A 60 -5.694 -0.604 -18.763 1.00 0.00 C ATOM 899 ND1 HIS A 60 -5.114 -1.781 -18.340 1.00 0.00 N ATOM 900 CD2 HIS A 60 -6.841 -0.956 -19.391 1.00 0.00 C ATOM 901 CE1 HIS A 60 -5.875 -2.799 -18.699 1.00 0.00 C ATOM 902 NE2 HIS A 60 -6.930 -2.325 -19.338 1.00 0.00 N ATOM 0 H HIS A 60 -7.470 1.126 -17.627 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.819 0.857 -16.389 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.417 1.429 -19.296 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.002 0.663 -18.602 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.234 -1.854 -17.829 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.553 -0.285 -19.848 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.670 -3.841 -18.504 1.00 0.00 H new ATOM 910 N LYS A 61 -5.653 3.517 -16.121 1.00 0.00 N ATOM 911 CA LYS A 61 -5.452 4.956 -15.993 1.00 0.00 C ATOM 912 C LYS A 61 -4.049 5.265 -15.479 1.00 0.00 C ATOM 913 O LYS A 61 -3.769 5.125 -14.288 1.00 0.00 O ATOM 914 CB LYS A 61 -6.496 5.556 -15.050 1.00 0.00 C ATOM 915 CG LYS A 61 -6.653 7.060 -15.195 1.00 0.00 C ATOM 916 CD LYS A 61 -5.592 7.810 -14.407 1.00 0.00 C ATOM 917 CE LYS A 61 -5.759 7.601 -12.909 1.00 0.00 C ATOM 918 NZ LYS A 61 -5.204 8.739 -12.126 1.00 0.00 N ATOM 0 H LYS A 61 -6.203 3.100 -15.370 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.565 5.403 -16.981 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.458 5.079 -15.236 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.219 5.325 -14.021 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.587 7.334 -16.248 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.643 7.358 -14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.602 7.472 -14.715 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.651 8.874 -14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.817 7.480 -12.675 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.260 6.678 -12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.337 8.559 -11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.189 8.839 -12.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.698 9.615 -12.390 1.00 0.00 H new ATOM 995 N GLN A 65 5.303 3.141 -16.250 1.00 0.00 N ATOM 996 CA GLN A 65 6.190 3.402 -17.377 1.00 0.00 C ATOM 997 C GLN A 65 7.597 2.885 -17.093 1.00 0.00 C ATOM 998 O GLN A 65 8.394 3.554 -16.434 1.00 0.00 O ATOM 999 CB GLN A 65 6.236 4.900 -17.681 1.00 0.00 C ATOM 1000 CG GLN A 65 5.007 5.410 -18.416 1.00 0.00 C ATOM 1001 CD GLN A 65 4.646 6.832 -18.034 1.00 0.00 C ATOM 1002 OE1 GLN A 65 5.253 7.419 -17.137 1.00 0.00 O ATOM 1003 NE2 GLN A 65 3.655 7.395 -18.715 1.00 0.00 N ATOM 0 HA GLN A 65 5.797 2.874 -18.246 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.343 5.449 -16.745 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.122 5.114 -18.279 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.184 5.360 -19.490 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.163 4.755 -18.202 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.180 6.872 -19.450 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.369 8.351 -18.503 1.00 0.00 H new ATOM 1012 N HIS A 66 7.896 1.691 -17.596 1.00 0.00 N ATOM 1013 CA HIS A 66 9.208 1.085 -17.396 1.00 0.00 C ATOM 1014 C HIS A 66 9.985 1.029 -18.708 1.00 0.00 C ATOM 1015 O HIS A 66 9.447 0.638 -19.745 1.00 0.00 O ATOM 1016 CB HIS A 66 9.060 -0.322 -16.817 1.00 0.00 C ATOM 1017 CG HIS A 66 8.330 -1.268 -17.720 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.962 -1.439 -17.684 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.786 -2.096 -18.689 1.00 0.00 C ATOM 1020 CE1 HIS A 66 6.608 -2.332 -18.591 1.00 0.00 C ATOM 1021 NE2 HIS A 66 7.696 -2.746 -19.214 1.00 0.00 N ATOM 0 H HIS A 66 7.249 1.125 -18.144 1.00 0.00 H new ATOM 0 HA HIS A 66 9.763 1.703 -16.691 1.00 0.00 H new ATOM 0 HB2 HIS A 66 10.051 -0.725 -16.606 1.00 0.00 H new ATOM 0 HB3 HIS A 66 8.532 -0.261 -15.865 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.815 -2.222 -18.993 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.600 -2.666 -18.789 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.723 -3.437 -19.964 1.00 0.00 H new ATOM 1029 N CYS A 67 11.253 1.422 -18.656 1.00 0.00 N ATOM 1030 CA CYS A 67 12.105 1.417 -19.839 1.00 0.00 C ATOM 1031 C CYS A 67 11.978 0.098 -20.596 1.00 0.00 C ATOM 1032 O CYS A 67 11.579 -0.919 -20.029 1.00 0.00 O ATOM 1033 CB CYS A 67 13.564 1.653 -19.444 1.00 0.00 C ATOM 1034 SG CYS A 67 14.655 2.067 -20.843 1.00 0.00 S ATOM 0 H CYS A 67 11.714 1.748 -17.806 1.00 0.00 H new ATOM 0 HA CYS A 67 11.778 2.224 -20.494 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.605 2.461 -18.713 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.945 0.758 -18.952 1.00 0.00 H new ATOM 0 HG CYS A 67 15.890 1.829 -20.515 1.00 0.00 H new ATOM 1039 N ARG A 68 12.321 0.123 -21.880 1.00 0.00 N ATOM 1040 CA ARG A 68 12.245 -1.070 -22.714 1.00 0.00 C ATOM 1041 C ARG A 68 13.627 -1.685 -22.911 1.00 0.00 C ATOM 1042 O ARG A 68 13.767 -2.739 -23.532 1.00 0.00 O ATOM 1043 CB ARG A 68 11.629 -0.729 -24.073 1.00 0.00 C ATOM 1044 CG ARG A 68 11.935 -1.752 -25.154 1.00 0.00 C ATOM 1045 CD ARG A 68 13.280 -1.483 -25.811 1.00 0.00 C ATOM 1046 NE ARG A 68 13.149 -0.651 -27.004 1.00 0.00 N ATOM 1047 CZ ARG A 68 12.902 -1.137 -28.216 1.00 0.00 C ATOM 1048 NH1 ARG A 68 12.758 -2.443 -28.393 1.00 0.00 N ATOM 1049 NH2 ARG A 68 12.797 -0.316 -29.252 1.00 0.00 N ATOM 0 H ARG A 68 12.654 0.956 -22.365 1.00 0.00 H new ATOM 0 HA ARG A 68 11.611 -1.798 -22.207 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.548 -0.643 -23.961 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.995 0.246 -24.394 1.00 0.00 H new ATOM 0 HG2 ARG A 68 11.934 -2.752 -24.721 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.149 -1.731 -25.909 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.941 -0.991 -25.097 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.749 -2.430 -26.079 1.00 0.00 H new ATOM 0 HE ARG A 68 13.253 0.359 -26.901 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.837 -3.077 -27.598 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.568 -2.814 -29.324 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.906 0.689 -29.119 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.607 -0.690 -30.182 1.00 0.00 H new ATOM 1063 N PHE A 69 14.647 -1.020 -22.377 1.00 0.00 N ATOM 1064 CA PHE A 69 16.018 -1.500 -22.495 1.00 0.00 C ATOM 1065 C PHE A 69 16.505 -2.086 -21.172 1.00 0.00 C ATOM 1066 O PHE A 69 17.118 -3.154 -21.141 1.00 0.00 O ATOM 1067 CB PHE A 69 16.944 -0.363 -22.933 1.00 0.00 C ATOM 1068 CG PHE A 69 16.441 0.392 -24.130 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.128 -0.274 -25.304 1.00 0.00 C ATOM 1070 CD2 PHE A 69 16.280 1.767 -24.080 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.666 0.419 -26.407 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.817 2.465 -25.180 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.509 1.790 -26.345 1.00 0.00 C ATOM 0 H PHE A 69 14.549 -0.147 -21.858 1.00 0.00 H new ATOM 0 HA PHE A 69 16.037 -2.286 -23.250 1.00 0.00 H new ATOM 0 HB2 PHE A 69 17.071 0.331 -22.103 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.928 -0.773 -23.159 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.246 -1.346 -25.358 1.00 0.00 H new ATOM 0 HD2 PHE A 69 16.519 2.300 -23.171 1.00 0.00 H new ATOM 0 HE1 PHE A 69 15.428 -0.111 -27.317 1.00 0.00 H new ATOM 0 HE2 PHE A 69 15.696 3.537 -25.128 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.146 2.333 -27.205 1.00 0.00 H new ATOM 1083 N CYS A 70 16.227 -1.380 -20.081 1.00 0.00 N ATOM 1084 CA CYS A 70 16.636 -1.827 -18.756 1.00 0.00 C ATOM 1085 C CYS A 70 15.421 -2.180 -17.902 1.00 0.00 C ATOM 1086 O CYS A 70 15.522 -2.308 -16.682 1.00 0.00 O ATOM 1087 CB CYS A 70 17.463 -0.743 -18.061 1.00 0.00 C ATOM 1088 SG CYS A 70 16.569 0.822 -17.800 1.00 0.00 S ATOM 0 H CYS A 70 15.720 -0.495 -20.089 1.00 0.00 H new ATOM 0 HA CYS A 70 17.248 -2.721 -18.875 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.801 -1.121 -17.096 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.355 -0.545 -18.655 1.00 0.00 H new ATOM 0 HG CYS A 70 16.868 1.302 -16.630 1.00 0.00 H new ATOM 1093 N LYS A 71 14.273 -2.335 -18.552 1.00 0.00 N ATOM 1094 CA LYS A 71 13.038 -2.674 -17.855 1.00 0.00 C ATOM 1095 C LYS A 71 12.992 -2.018 -16.479 1.00 0.00 C ATOM 1096 O LYS A 71 12.805 -2.690 -15.465 1.00 0.00 O ATOM 1097 CB LYS A 71 12.909 -4.193 -17.713 1.00 0.00 C ATOM 1098 CG LYS A 71 12.660 -4.908 -19.029 1.00 0.00 C ATOM 1099 CD LYS A 71 13.955 -5.148 -19.787 1.00 0.00 C ATOM 1100 CE LYS A 71 13.690 -5.582 -21.220 1.00 0.00 C ATOM 1101 NZ LYS A 71 14.874 -5.360 -22.095 1.00 0.00 N ATOM 0 H LYS A 71 14.172 -2.231 -19.562 1.00 0.00 H new ATOM 0 HA LYS A 71 12.202 -2.298 -18.445 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.820 -4.586 -17.262 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.092 -4.417 -17.027 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.167 -5.861 -18.839 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.982 -4.316 -19.643 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.552 -4.236 -19.786 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.540 -5.913 -19.276 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.420 -6.638 -21.236 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.838 -5.029 -21.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.029 -6.199 -22.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.707 -4.532 -22.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.715 -5.193 -21.506 1.00 0.00 H new ATOM 1115 N LYS A 72 13.162 -0.701 -16.451 1.00 0.00 N ATOM 1116 CA LYS A 72 13.138 0.048 -15.200 1.00 0.00 C ATOM 1117 C LYS A 72 11.880 0.905 -15.104 1.00 0.00 C ATOM 1118 O LYS A 72 11.708 1.862 -15.859 1.00 0.00 O ATOM 1119 CB LYS A 72 14.381 0.934 -15.087 1.00 0.00 C ATOM 1120 CG LYS A 72 14.822 1.182 -13.655 1.00 0.00 C ATOM 1121 CD LYS A 72 16.114 1.981 -13.601 1.00 0.00 C ATOM 1122 CE LYS A 72 16.900 1.684 -12.333 1.00 0.00 C ATOM 1123 NZ LYS A 72 16.425 2.500 -11.182 1.00 0.00 N ATOM 0 H LYS A 72 13.318 -0.129 -17.281 1.00 0.00 H new ATOM 0 HA LYS A 72 13.134 -0.667 -14.378 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.200 0.468 -15.635 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.180 1.891 -15.567 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.039 1.718 -13.120 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.961 0.228 -13.146 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.725 1.746 -14.473 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.887 3.046 -13.649 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.810 0.625 -12.089 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.958 1.882 -12.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.986 2.268 -10.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.535 3.510 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.422 2.292 -11.000 1.00 0.00 H new ATOM 1137 N LYS A 73 11.002 0.556 -14.169 1.00 0.00 N ATOM 1138 CA LYS A 73 9.760 1.294 -13.971 1.00 0.00 C ATOM 1139 C LYS A 73 10.040 2.698 -13.443 1.00 0.00 C ATOM 1140 O LYS A 73 11.002 2.913 -12.705 1.00 0.00 O ATOM 1141 CB LYS A 73 8.846 0.545 -13.000 1.00 0.00 C ATOM 1142 CG LYS A 73 9.303 0.622 -11.553 1.00 0.00 C ATOM 1143 CD LYS A 73 8.317 -0.063 -10.620 1.00 0.00 C ATOM 1144 CE LYS A 73 8.345 -1.574 -10.791 1.00 0.00 C ATOM 1145 NZ LYS A 73 9.443 -2.201 -10.005 1.00 0.00 N ATOM 0 H LYS A 73 11.128 -0.234 -13.536 1.00 0.00 H new ATOM 0 HA LYS A 73 9.260 1.380 -14.936 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.838 0.952 -13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.791 -0.502 -13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.283 0.155 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.416 1.666 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.555 0.192 -9.587 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.311 0.308 -10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.389 -1.993 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.469 -1.818 -11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.428 -3.231 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.358 -1.821 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.311 -1.990 -8.995 1.00 0.00 H new ATOM 1159 N TYR A 74 9.193 3.648 -13.823 1.00 0.00 N ATOM 1160 CA TYR A 74 9.350 5.030 -13.387 1.00 0.00 C ATOM 1161 C TYR A 74 8.018 5.608 -12.916 1.00 0.00 C ATOM 1162 O TYR A 74 7.019 5.557 -13.632 1.00 0.00 O ATOM 1163 CB TYR A 74 9.915 5.884 -14.524 1.00 0.00 C ATOM 1164 CG TYR A 74 11.418 5.796 -14.658 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.015 4.733 -15.325 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.242 6.774 -14.115 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.388 4.648 -15.449 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.616 6.698 -14.236 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.184 5.633 -14.903 1.00 0.00 C ATOM 1170 OH TYR A 74 15.553 5.553 -15.024 1.00 0.00 O ATOM 0 H TYR A 74 8.391 3.486 -14.432 1.00 0.00 H new ATOM 0 HA TYR A 74 10.048 5.043 -12.550 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.456 5.574 -15.463 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.634 6.924 -14.360 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.395 3.960 -15.754 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.801 7.608 -13.589 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.836 3.815 -15.971 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.242 7.468 -13.811 1.00 0.00 H new ATOM 0 HH TYR A 74 15.783 4.891 -15.709 1.00 0.00 H new ATOM 1180 N SER A 75 8.014 6.157 -11.706 1.00 0.00 N ATOM 1181 CA SER A 75 6.806 6.742 -11.136 1.00 0.00 C ATOM 1182 C SER A 75 6.102 7.634 -12.154 1.00 0.00 C ATOM 1183 O SER A 75 4.878 7.605 -12.280 1.00 0.00 O ATOM 1184 CB SER A 75 7.148 7.551 -9.883 1.00 0.00 C ATOM 1185 OG SER A 75 6.049 8.346 -9.474 1.00 0.00 O ATOM 0 H SER A 75 8.834 6.209 -11.101 1.00 0.00 H new ATOM 0 HA SER A 75 6.132 5.930 -10.863 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.432 6.875 -9.076 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.009 8.190 -10.082 1.00 0.00 H new ATOM 0 HG SER A 75 6.040 9.181 -9.987 1.00 0.00 H new ATOM 1191 N ASP A 76 6.885 8.426 -12.879 1.00 0.00 N ATOM 1192 CA ASP A 76 6.338 9.326 -13.888 1.00 0.00 C ATOM 1193 C ASP A 76 7.075 9.169 -15.214 1.00 0.00 C ATOM 1194 O ASP A 76 8.207 8.686 -15.253 1.00 0.00 O ATOM 1195 CB ASP A 76 6.426 10.776 -13.410 1.00 0.00 C ATOM 1196 CG ASP A 76 5.628 11.018 -12.144 1.00 0.00 C ATOM 1197 OD1 ASP A 76 6.096 10.609 -11.061 1.00 0.00 O ATOM 1198 OD2 ASP A 76 4.535 11.616 -12.236 1.00 0.00 O ATOM 0 H ASP A 76 7.900 8.463 -12.787 1.00 0.00 H new ATOM 0 HA ASP A 76 5.291 9.065 -14.042 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.470 11.034 -13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.063 11.437 -14.197 1.00 0.00 H new ATOM 1203 N VAL A 77 6.426 9.579 -16.299 1.00 0.00 N ATOM 1204 CA VAL A 77 7.019 9.483 -17.627 1.00 0.00 C ATOM 1205 C VAL A 77 8.169 10.472 -17.787 1.00 0.00 C ATOM 1206 O VAL A 77 9.241 10.120 -18.279 1.00 0.00 O ATOM 1207 CB VAL A 77 5.975 9.745 -18.729 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.427 11.159 -18.620 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.579 9.502 -20.103 1.00 0.00 C ATOM 0 H VAL A 77 5.489 9.981 -16.284 1.00 0.00 H new ATOM 0 HA VAL A 77 7.399 8.467 -17.731 1.00 0.00 H new ATOM 0 HB VAL A 77 5.147 9.049 -18.594 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.691 11.326 -19.407 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.954 11.292 -17.647 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.242 11.874 -18.728 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.828 9.692 -20.869 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.426 10.172 -20.252 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.917 8.468 -20.174 1.00 0.00 H new ATOM 1219 N LYS A 78 7.939 11.711 -17.368 1.00 0.00 N ATOM 1220 CA LYS A 78 8.955 12.753 -17.462 1.00 0.00 C ATOM 1221 C LYS A 78 10.349 12.174 -17.239 1.00 0.00 C ATOM 1222 O LYS A 78 11.197 12.213 -18.129 1.00 0.00 O ATOM 1223 CB LYS A 78 8.680 13.857 -16.440 1.00 0.00 C ATOM 1224 CG LYS A 78 7.332 14.532 -16.622 1.00 0.00 C ATOM 1225 CD LYS A 78 7.442 15.772 -17.492 1.00 0.00 C ATOM 1226 CE LYS A 78 7.515 15.413 -18.968 1.00 0.00 C ATOM 1227 NZ LYS A 78 8.921 15.253 -19.432 1.00 0.00 N ATOM 0 H LYS A 78 7.057 12.019 -16.959 1.00 0.00 H new ATOM 0 HA LYS A 78 8.913 13.178 -18.465 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.732 13.433 -15.437 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.466 14.609 -16.510 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.631 13.830 -17.074 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.926 14.805 -15.648 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.582 16.419 -17.316 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.330 16.338 -17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.967 14.487 -19.144 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.025 16.190 -19.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.988 14.425 -20.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.214 16.104 -19.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.544 15.118 -18.611 1.00 0.00 H new ATOM 1241 N ASN A 79 10.577 11.636 -16.045 1.00 0.00 N ATOM 1242 CA ASN A 79 11.868 11.049 -15.705 1.00 0.00 C ATOM 1243 C ASN A 79 12.282 10.009 -16.742 1.00 0.00 C ATOM 1244 O ASN A 79 13.392 10.056 -17.275 1.00 0.00 O ATOM 1245 CB ASN A 79 11.810 10.407 -14.318 1.00 0.00 C ATOM 1246 CG ASN A 79 11.197 11.327 -13.280 1.00 0.00 C ATOM 1247 OD1 ASN A 79 11.831 12.282 -12.829 1.00 0.00 O ATOM 1248 ND2 ASN A 79 9.959 11.043 -12.895 1.00 0.00 N ATOM 0 H ASN A 79 9.885 11.594 -15.297 1.00 0.00 H new ATOM 0 HA ASN A 79 12.611 11.846 -15.698 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.230 9.486 -14.371 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.817 10.132 -14.006 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.495 11.626 -12.199 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.472 10.242 -13.296 1.00 0.00 H new ATOM 1255 N LEU A 80 11.384 9.072 -17.024 1.00 0.00 N ATOM 1256 CA LEU A 80 11.654 8.020 -17.998 1.00 0.00 C ATOM 1257 C LEU A 80 12.240 8.603 -19.280 1.00 0.00 C ATOM 1258 O LEU A 80 13.148 8.025 -19.878 1.00 0.00 O ATOM 1259 CB LEU A 80 10.372 7.248 -18.314 1.00 0.00 C ATOM 1260 CG LEU A 80 10.503 6.122 -19.339 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.527 5.097 -18.879 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.153 5.460 -19.578 1.00 0.00 C ATOM 0 H LEU A 80 10.462 9.019 -16.592 1.00 0.00 H new ATOM 0 HA LEU A 80 12.384 7.336 -17.565 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.988 6.825 -17.386 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.625 7.955 -18.674 1.00 0.00 H new ATOM 0 HG LEU A 80 10.847 6.551 -20.280 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.606 4.303 -19.622 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.497 5.580 -18.759 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.213 4.672 -17.926 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.264 4.661 -20.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.780 5.045 -18.642 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.446 6.200 -19.953 1.00 0.00 H new ATOM 1274 N ILE A 81 11.715 9.751 -19.695 1.00 0.00 N ATOM 1275 CA ILE A 81 12.188 10.414 -20.904 1.00 0.00 C ATOM 1276 C ILE A 81 13.671 10.756 -20.799 1.00 0.00 C ATOM 1277 O ILE A 81 14.469 10.380 -21.658 1.00 0.00 O ATOM 1278 CB ILE A 81 11.394 11.702 -21.188 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.893 11.408 -21.208 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.837 12.318 -22.506 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.486 10.417 -22.276 1.00 0.00 C ATOM 0 H ILE A 81 10.962 10.241 -19.212 1.00 0.00 H new ATOM 0 HA ILE A 81 12.036 9.715 -21.727 1.00 0.00 H new ATOM 0 HB ILE A 81 11.594 12.418 -20.390 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.593 11.023 -20.233 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.350 12.340 -21.363 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.266 13.228 -22.692 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.899 12.559 -22.456 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.664 11.609 -23.315 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.409 10.256 -22.232 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.754 10.809 -23.257 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.001 9.471 -22.110 1.00 0.00 H new ATOM 1293 N LYS A 82 14.034 11.471 -19.740 1.00 0.00 N ATOM 1294 CA LYS A 82 15.421 11.863 -19.519 1.00 0.00 C ATOM 1295 C LYS A 82 16.306 10.637 -19.317 1.00 0.00 C ATOM 1296 O LYS A 82 17.370 10.521 -19.926 1.00 0.00 O ATOM 1297 CB LYS A 82 15.524 12.786 -18.303 1.00 0.00 C ATOM 1298 CG LYS A 82 16.746 13.688 -18.327 1.00 0.00 C ATOM 1299 CD LYS A 82 16.749 14.653 -17.153 1.00 0.00 C ATOM 1300 CE LYS A 82 15.744 15.777 -17.352 1.00 0.00 C ATOM 1301 NZ LYS A 82 15.217 16.286 -16.056 1.00 0.00 N ATOM 0 H LYS A 82 13.386 11.791 -19.020 1.00 0.00 H new ATOM 0 HA LYS A 82 15.767 12.398 -20.403 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.628 13.404 -18.249 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.548 12.179 -17.398 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.650 13.079 -18.301 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.767 14.250 -19.261 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.515 14.112 -16.236 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.747 15.074 -17.029 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.216 16.594 -17.898 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.917 15.420 -17.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.535 17.051 -16.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.744 15.513 -15.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.003 16.650 -15.481 1.00 0.00 H new ATOM 1315 N HIS A 83 15.860 9.725 -18.459 1.00 0.00 N ATOM 1316 CA HIS A 83 16.611 8.507 -18.179 1.00 0.00 C ATOM 1317 C HIS A 83 17.159 7.898 -19.466 1.00 0.00 C ATOM 1318 O HIS A 83 18.317 7.485 -19.525 1.00 0.00 O ATOM 1319 CB HIS A 83 15.726 7.491 -17.456 1.00 0.00 C ATOM 1320 CG HIS A 83 16.055 6.068 -17.786 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.106 5.385 -17.210 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.464 5.197 -18.638 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.148 4.157 -17.694 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.162 4.017 -18.562 1.00 0.00 N ATOM 0 H HIS A 83 14.982 9.807 -17.946 1.00 0.00 H new ATOM 0 HA HIS A 83 17.451 8.768 -17.535 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.823 7.638 -16.380 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.684 7.683 -17.711 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.604 5.394 -19.261 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.866 3.396 -17.426 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.953 3.170 -19.090 1.00 0.00 H new ATOM 1332 N ILE A 84 16.318 7.844 -20.494 1.00 0.00 N ATOM 1333 CA ILE A 84 16.718 7.286 -21.779 1.00 0.00 C ATOM 1334 C ILE A 84 17.778 8.153 -22.450 1.00 0.00 C ATOM 1335 O ILE A 84 18.749 7.644 -23.009 1.00 0.00 O ATOM 1336 CB ILE A 84 15.514 7.140 -22.729 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.621 5.982 -22.280 1.00 0.00 C ATOM 1338 CG2 ILE A 84 15.990 6.926 -24.158 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.222 6.041 -22.853 1.00 0.00 C ATOM 0 H ILE A 84 15.356 8.180 -20.461 1.00 0.00 H new ATOM 0 HA ILE A 84 17.134 6.299 -21.578 1.00 0.00 H new ATOM 0 HB ILE A 84 14.929 8.059 -22.696 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.086 5.041 -22.573 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.560 5.982 -21.192 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.128 6.825 -24.817 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.590 7.780 -24.473 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.594 6.020 -24.209 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.645 5.189 -22.493 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.739 6.966 -22.539 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.273 6.010 -23.941 1.00 0.00 H new ATOM 1351 N ARG A 85 17.585 9.467 -22.387 1.00 0.00 N ATOM 1352 CA ARG A 85 18.525 10.406 -22.988 1.00 0.00 C ATOM 1353 C ARG A 85 19.834 10.442 -22.204 1.00 0.00 C ATOM 1354 O ARG A 85 20.834 10.986 -22.672 1.00 0.00 O ATOM 1355 CB ARG A 85 17.913 11.807 -23.043 1.00 0.00 C ATOM 1356 CG ARG A 85 16.452 11.817 -23.460 1.00 0.00 C ATOM 1357 CD ARG A 85 16.298 12.106 -24.946 1.00 0.00 C ATOM 1358 NE ARG A 85 16.879 13.394 -25.316 1.00 0.00 N ATOM 1359 CZ ARG A 85 17.234 13.711 -26.556 1.00 0.00 C ATOM 1360 NH1 ARG A 85 17.069 12.838 -27.540 1.00 0.00 N ATOM 1361 NH2 ARG A 85 17.757 14.903 -26.813 1.00 0.00 N ATOM 0 H ARG A 85 16.787 9.905 -21.926 1.00 0.00 H new ATOM 0 HA ARG A 85 18.738 10.069 -24.002 1.00 0.00 H new ATOM 0 HB2 ARG A 85 18.005 12.273 -22.062 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.486 12.417 -23.741 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.999 10.853 -23.227 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.913 12.570 -22.884 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.777 11.314 -25.521 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.240 12.096 -25.210 1.00 0.00 H new ATOM 0 HE ARG A 85 17.020 14.088 -24.582 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.669 11.920 -27.346 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.342 13.084 -28.491 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.887 15.577 -26.058 1.00 0.00 H new ATOM 0 HH22 ARG A 85 18.029 15.146 -27.765 1.00 0.00 H new ATOM 1375 N ASP A 86 19.819 9.859 -21.011 1.00 0.00 N ATOM 1376 CA ASP A 86 21.004 9.823 -20.162 1.00 0.00 C ATOM 1377 C ASP A 86 21.737 8.494 -20.308 1.00 0.00 C ATOM 1378 O ASP A 86 22.943 8.462 -20.552 1.00 0.00 O ATOM 1379 CB ASP A 86 20.617 10.049 -18.699 1.00 0.00 C ATOM 1380 CG ASP A 86 20.206 11.482 -18.423 1.00 0.00 C ATOM 1381 OD1 ASP A 86 20.557 12.366 -19.233 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.534 11.719 -17.398 1.00 0.00 O ATOM 0 H ASP A 86 18.999 9.404 -20.609 1.00 0.00 H new ATOM 0 HA ASP A 86 21.673 10.623 -20.480 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.796 9.382 -18.436 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.459 9.786 -18.059 1.00 0.00 H new ATOM 1387 N ALA A 87 21.000 7.398 -20.156 1.00 0.00 N ATOM 1388 CA ALA A 87 21.580 6.066 -20.272 1.00 0.00 C ATOM 1389 C ALA A 87 21.542 5.574 -21.715 1.00 0.00 C ATOM 1390 O ALA A 87 22.565 5.172 -22.272 1.00 0.00 O ATOM 1391 CB ALA A 87 20.849 5.091 -19.361 1.00 0.00 C ATOM 0 H ALA A 87 20.001 7.407 -19.952 1.00 0.00 H new ATOM 0 HA ALA A 87 22.624 6.123 -19.963 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.293 4.100 -19.458 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.932 5.427 -18.327 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.797 5.047 -19.644 1.00 0.00 H new ATOM 1397 N HIS A 88 20.357 5.608 -22.316 1.00 0.00 N ATOM 1398 CA HIS A 88 20.186 5.166 -23.695 1.00 0.00 C ATOM 1399 C HIS A 88 20.022 6.359 -24.632 1.00 0.00 C ATOM 1400 O HIS A 88 18.996 6.500 -25.298 1.00 0.00 O ATOM 1401 CB HIS A 88 18.974 4.241 -23.810 1.00 0.00 C ATOM 1402 CG HIS A 88 18.809 3.322 -22.640 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.544 2.166 -22.481 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.987 3.394 -21.566 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.180 1.566 -21.361 1.00 0.00 C ATOM 1406 NE2 HIS A 88 18.237 2.292 -20.787 1.00 0.00 N ATOM 0 H HIS A 88 19.501 5.937 -21.870 1.00 0.00 H new ATOM 0 HA HIS A 88 21.081 4.617 -23.988 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.074 4.847 -23.916 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.066 3.646 -24.719 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.268 4.174 -21.361 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.584 0.640 -20.980 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.771 2.070 -19.908 1.00 0.00 H new ATOM 1414 N ASP A 89 21.038 7.213 -24.677 1.00 0.00 N ATOM 1415 CA ASP A 89 21.006 8.394 -25.533 1.00 0.00 C ATOM 1416 C ASP A 89 21.152 8.006 -27.001 1.00 0.00 C ATOM 1417 O ASP A 89 22.127 7.373 -27.407 1.00 0.00 O ATOM 1418 CB ASP A 89 22.118 9.367 -25.137 1.00 0.00 C ATOM 1419 CG ASP A 89 22.675 10.124 -26.326 1.00 0.00 C ATOM 1420 OD1 ASP A 89 21.974 11.020 -26.840 1.00 0.00 O ATOM 1421 OD2 ASP A 89 23.813 9.820 -26.743 1.00 0.00 O ATOM 0 H ASP A 89 21.894 7.110 -24.131 1.00 0.00 H new ATOM 0 HA ASP A 89 20.041 8.883 -25.400 1.00 0.00 H new ATOM 0 HB2 ASP A 89 21.732 10.077 -24.406 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.923 8.816 -24.651 1.00 0.00 H new