USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 465 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 1 THR OG1 : rot 128:sc= 1.63 USER MOD Set 1.2: A 3 TYR OH : rot 180:sc= -0.829 USER MOD Single : A 1 THR N :NH3+ -177:sc= 0.904 (180deg=0.899) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.638 K(o=-0.64,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -3.92 K(o=-3.9,f=-3.1!) USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= -0.265 (180deg=-0.677) USER MOD Single : A 38 THR OG1 : rot 49:sc= 1.06 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 45 TYR OH : rot 0:sc= 0.371 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 40:sc= 0.114 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.407 -13.554 4.846 1.00 0.00 N ATOM 2 CA THR A 1 4.617 -13.120 3.662 1.00 0.00 C ATOM 3 C THR A 1 4.966 -11.692 3.261 1.00 0.00 C ATOM 4 O THR A 1 4.960 -10.783 4.090 1.00 0.00 O ATOM 5 CB THR A 1 3.129 -13.224 4.006 1.00 0.00 C ATOM 6 OG1 THR A 1 2.866 -12.646 5.272 1.00 0.00 O ATOM 7 CG2 THR A 1 2.620 -14.649 4.035 1.00 0.00 C ATOM 0 H1 THR A 1 5.186 -14.546 5.066 1.00 0.00 H new ATOM 0 H2 THR A 1 6.422 -13.463 4.639 1.00 0.00 H new ATOM 0 H3 THR A 1 5.165 -12.957 5.662 1.00 0.00 H new ATOM 0 HA THR A 1 4.854 -13.765 2.816 1.00 0.00 H new ATOM 0 HB THR A 1 2.610 -12.687 3.212 1.00 0.00 H new ATOM 0 HG1 THR A 1 2.142 -11.991 5.189 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.559 -14.651 4.285 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.763 -15.107 3.056 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.171 -15.217 4.785 1.00 0.00 H new ATOM 17 N THR A 2 5.271 -11.501 1.981 1.00 0.00 N ATOM 18 CA THR A 2 5.625 -10.182 1.468 1.00 0.00 C ATOM 19 C THR A 2 4.408 -9.489 0.864 1.00 0.00 C ATOM 20 O THR A 2 3.681 -10.074 0.062 1.00 0.00 O ATOM 21 CB THR A 2 6.730 -10.301 0.418 1.00 0.00 C ATOM 22 OG1 THR A 2 6.989 -9.044 -0.182 1.00 0.00 O ATOM 23 CG2 THR A 2 6.400 -11.279 -0.690 1.00 0.00 C ATOM 0 H THR A 2 5.280 -12.242 1.281 1.00 0.00 H new ATOM 0 HA THR A 2 5.987 -9.580 2.302 1.00 0.00 H new ATOM 0 HB THR A 2 7.603 -10.669 0.958 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.700 -9.140 -0.850 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.225 -11.315 -1.401 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.243 -12.270 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.494 -10.956 -1.202 1.00 0.00 H new ATOM 31 N TYR A 3 4.193 -8.237 1.254 1.00 0.00 N ATOM 32 CA TYR A 3 3.066 -7.462 0.752 1.00 0.00 C ATOM 33 C TYR A 3 3.547 -6.257 -0.048 1.00 0.00 C ATOM 34 O TYR A 3 4.613 -5.703 0.226 1.00 0.00 O ATOM 35 CB TYR A 3 2.182 -6.999 1.912 1.00 0.00 C ATOM 36 CG TYR A 3 1.711 -8.128 2.801 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.570 -8.721 3.717 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.406 -8.602 2.722 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.143 -9.752 4.532 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.028 -9.633 3.532 1.00 0.00 C ATOM 41 CZ TYR A 3 0.844 -10.204 4.435 1.00 0.00 C ATOM 42 OH TYR A 3 0.416 -11.233 5.243 1.00 0.00 O ATOM 0 H TYR A 3 4.786 -7.738 1.917 1.00 0.00 H new ATOM 0 HA TYR A 3 2.482 -8.103 0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.736 -6.279 2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.313 -6.477 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.589 -8.371 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.279 -8.157 2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.823 -10.201 5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.045 -9.990 3.459 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.524 -11.431 5.051 1.00 0.00 H new ATOM 52 N LYS A 4 2.758 -5.854 -1.039 1.00 0.00 N ATOM 53 CA LYS A 4 3.107 -4.713 -1.880 1.00 0.00 C ATOM 54 C LYS A 4 1.939 -3.743 -1.986 1.00 0.00 C ATOM 55 O LYS A 4 0.778 -4.139 -1.906 1.00 0.00 O ATOM 56 CB LYS A 4 3.527 -5.189 -3.270 1.00 0.00 C ATOM 57 CG LYS A 4 4.592 -6.272 -3.244 1.00 0.00 C ATOM 58 CD LYS A 4 5.508 -6.183 -4.455 1.00 0.00 C ATOM 59 CE LYS A 4 6.496 -7.338 -4.491 1.00 0.00 C ATOM 60 NZ LYS A 4 7.628 -7.072 -5.422 1.00 0.00 N ATOM 0 H LYS A 4 1.873 -6.300 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 4 3.945 -4.191 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.650 -5.566 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.900 -4.338 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.183 -6.181 -2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.115 -7.252 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.910 -6.186 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.051 -5.238 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.885 -7.515 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.980 -8.248 -4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.279 -7.883 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.260 -6.929 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.137 -6.218 -5.115 1.00 0.00 H new ATOM 74 N LEU A 5 2.259 -2.465 -2.155 1.00 0.00 N ATOM 75 CA LEU A 5 1.239 -1.434 -2.258 1.00 0.00 C ATOM 76 C LEU A 5 1.515 -0.497 -3.434 1.00 0.00 C ATOM 77 O LEU A 5 2.640 -0.038 -3.625 1.00 0.00 O ATOM 78 CB LEU A 5 1.176 -0.646 -0.946 1.00 0.00 C ATOM 79 CG LEU A 5 0.590 0.767 -1.050 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.805 0.725 -1.654 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.560 1.433 0.318 1.00 0.00 C ATOM 0 H LEU A 5 3.217 -2.121 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 5 0.277 -1.913 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.583 -1.214 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.184 -0.573 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 5 1.230 1.357 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.204 1.737 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.756 0.289 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.456 0.119 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.141 2.435 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.056 0.843 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.574 1.498 0.713 1.00 0.00 H new ATOM 93 N ILE A 6 0.474 -0.214 -4.212 1.00 0.00 N ATOM 94 CA ILE A 6 0.594 0.674 -5.364 1.00 0.00 C ATOM 95 C ILE A 6 -0.136 1.990 -5.108 1.00 0.00 C ATOM 96 O ILE A 6 -1.367 2.035 -5.079 1.00 0.00 O ATOM 97 CB ILE A 6 0.041 0.010 -6.645 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.893 -1.204 -7.024 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.000 1.007 -7.796 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.662 -2.408 -6.136 1.00 0.00 C ATOM 0 H ILE A 6 -0.464 -0.588 -4.065 1.00 0.00 H new ATOM 0 HA ILE A 6 1.655 0.877 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.977 -0.324 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.680 -1.479 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.946 -0.927 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.393 0.518 -8.687 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.644 1.845 -7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.007 1.373 -7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.299 -3.229 -6.464 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.903 -2.151 -5.105 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.383 -2.712 -6.199 1.00 0.00 H new ATOM 112 N LEU A 7 0.633 3.058 -4.916 1.00 0.00 N ATOM 113 CA LEU A 7 0.062 4.375 -4.657 1.00 0.00 C ATOM 114 C LEU A 7 0.124 5.258 -5.899 1.00 0.00 C ATOM 115 O LEU A 7 1.170 5.378 -6.536 1.00 0.00 O ATOM 116 CB LEU A 7 0.799 5.054 -3.501 1.00 0.00 C ATOM 117 CG LEU A 7 0.934 4.209 -2.233 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.085 4.713 -1.375 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.367 4.224 -1.444 1.00 0.00 C ATOM 0 H LEU A 7 1.653 3.037 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.985 4.238 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.796 5.334 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.277 5.977 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 7 1.149 3.181 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.166 4.100 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.015 4.652 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.901 5.749 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.254 3.618 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.610 5.249 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.170 3.816 -2.058 1.00 0.00 H new ATOM 131 N ASN A 8 -1.002 5.879 -6.232 1.00 0.00 N ATOM 132 CA ASN A 8 -1.077 6.757 -7.396 1.00 0.00 C ATOM 133 C ASN A 8 -1.640 8.120 -7.005 1.00 0.00 C ATOM 134 O ASN A 8 -2.839 8.263 -6.766 1.00 0.00 O ATOM 135 CB ASN A 8 -1.942 6.127 -8.491 1.00 0.00 C ATOM 136 CG ASN A 8 -1.409 6.410 -9.883 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.407 5.532 -10.748 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.958 7.635 -10.107 1.00 0.00 N ATOM 0 H ASN A 8 -1.876 5.791 -5.713 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.067 6.894 -7.783 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.992 5.049 -8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.960 6.508 -8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.590 7.883 -11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.979 8.330 -9.361 1.00 0.00 H new ATOM 145 N LEU A 9 -0.769 9.117 -6.939 1.00 0.00 N ATOM 146 CA LEU A 9 -1.179 10.472 -6.579 1.00 0.00 C ATOM 147 C LEU A 9 -1.042 11.422 -7.763 1.00 0.00 C ATOM 148 O LEU A 9 -0.613 11.018 -8.843 1.00 0.00 O ATOM 149 CB LEU A 9 -0.347 10.981 -5.400 1.00 0.00 C ATOM 150 CG LEU A 9 1.132 11.224 -5.709 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.564 12.596 -5.212 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.997 10.142 -5.093 1.00 0.00 C ATOM 0 H LEU A 9 0.228 9.015 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.229 10.439 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.785 11.912 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.419 10.260 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 9 1.262 11.190 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.618 12.750 -5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.969 13.365 -5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.414 12.656 -4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.044 10.336 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.861 10.139 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.709 9.172 -5.498 1.00 0.00 H new ATOM 164 N LYS A 10 -1.411 12.683 -7.551 1.00 0.00 N ATOM 165 CA LYS A 10 -1.331 13.690 -8.600 1.00 0.00 C ATOM 166 C LYS A 10 0.103 14.189 -8.771 1.00 0.00 C ATOM 167 O LYS A 10 0.395 15.356 -8.541 1.00 0.00 O ATOM 168 CB LYS A 10 -2.259 14.862 -8.279 1.00 0.00 C ATOM 169 CG LYS A 10 -3.641 14.727 -8.895 1.00 0.00 C ATOM 170 CD LYS A 10 -4.236 16.089 -9.221 1.00 0.00 C ATOM 171 CE LYS A 10 -3.798 16.582 -10.597 1.00 0.00 C ATOM 172 NZ LYS A 10 -4.909 17.246 -11.329 1.00 0.00 N ATOM 0 H LYS A 10 -1.768 13.030 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.648 13.230 -9.536 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.359 14.950 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.801 15.785 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.580 14.128 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.298 14.196 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.324 16.029 -9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.932 16.810 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.969 17.281 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.429 15.740 -11.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.570 17.566 -12.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.691 16.572 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.245 18.065 -10.782 1.00 0.00 H new ATOM 186 N GLN A 11 0.992 13.287 -9.170 1.00 0.00 N ATOM 187 CA GLN A 11 2.394 13.624 -9.368 1.00 0.00 C ATOM 188 C GLN A 11 3.182 12.420 -9.866 1.00 0.00 C ATOM 189 O GLN A 11 3.857 12.483 -10.895 1.00 0.00 O ATOM 190 CB GLN A 11 3.006 14.157 -8.069 1.00 0.00 C ATOM 191 CG GLN A 11 3.064 15.673 -7.993 1.00 0.00 C ATOM 192 CD GLN A 11 4.477 16.197 -7.812 1.00 0.00 C ATOM 193 OE1 GLN A 11 5.072 16.057 -6.744 1.00 0.00 O ATOM 194 NE2 GLN A 11 5.024 16.805 -8.858 1.00 0.00 N ATOM 0 H GLN A 11 0.764 12.312 -9.363 1.00 0.00 H new ATOM 0 HA GLN A 11 2.447 14.404 -10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.426 13.783 -7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.015 13.759 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.638 16.095 -8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.445 16.015 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.497 16.900 -9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.972 17.177 -8.794 1.00 0.00 H new ATOM 203 N ALA A 12 3.094 11.322 -9.129 1.00 0.00 N ATOM 204 CA ALA A 12 3.794 10.094 -9.489 1.00 0.00 C ATOM 205 C ALA A 12 3.208 8.890 -8.757 1.00 0.00 C ATOM 206 O ALA A 12 2.154 8.991 -8.132 1.00 0.00 O ATOM 207 CB ALA A 12 5.278 10.228 -9.185 1.00 0.00 C ATOM 0 H ALA A 12 2.542 11.255 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 12 3.665 9.931 -10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.790 9.305 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.693 11.057 -9.758 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.416 10.418 -8.121 1.00 0.00 H new ATOM 213 N LYS A 13 3.899 7.762 -8.842 1.00 0.00 N ATOM 214 CA LYS A 13 3.444 6.543 -8.186 1.00 0.00 C ATOM 215 C LYS A 13 4.563 5.921 -7.358 1.00 0.00 C ATOM 216 O LYS A 13 5.647 5.640 -7.869 1.00 0.00 O ATOM 217 CB LYS A 13 2.940 5.538 -9.224 1.00 0.00 C ATOM 218 CG LYS A 13 3.969 5.191 -10.289 1.00 0.00 C ATOM 219 CD LYS A 13 3.623 5.822 -11.626 1.00 0.00 C ATOM 220 CE LYS A 13 2.938 4.834 -12.557 1.00 0.00 C ATOM 221 NZ LYS A 13 1.639 5.353 -13.063 1.00 0.00 N ATOM 0 H LYS A 13 4.774 7.665 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 13 2.624 6.804 -7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.636 4.624 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.052 5.944 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.954 5.532 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.027 4.108 -10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.972 6.681 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.532 6.195 -12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.594 4.615 -13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.772 3.894 -12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.206 4.649 -13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.003 5.538 -12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.799 6.236 -13.588 1.00 0.00 H new ATOM 235 N GLU A 14 4.291 5.704 -6.077 1.00 0.00 N ATOM 236 CA GLU A 14 5.271 5.112 -5.174 1.00 0.00 C ATOM 237 C GLU A 14 4.801 3.745 -4.690 1.00 0.00 C ATOM 238 O GLU A 14 3.686 3.605 -4.185 1.00 0.00 O ATOM 239 CB GLU A 14 5.521 6.037 -3.981 1.00 0.00 C ATOM 240 CG GLU A 14 6.974 6.461 -3.836 1.00 0.00 C ATOM 241 CD GLU A 14 7.218 7.874 -4.306 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.710 8.237 -5.387 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.918 8.631 -3.596 1.00 0.00 O ATOM 0 H GLU A 14 3.398 5.930 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 14 6.205 4.982 -5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.900 6.927 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.205 5.533 -3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.271 6.374 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.606 5.779 -4.405 1.00 0.00 H new ATOM 250 N GLU A 15 5.653 2.739 -4.847 1.00 0.00 N ATOM 251 CA GLU A 15 5.319 1.383 -4.428 1.00 0.00 C ATOM 252 C GLU A 15 5.957 1.053 -3.084 1.00 0.00 C ATOM 253 O GLU A 15 7.167 1.191 -2.908 1.00 0.00 O ATOM 254 CB GLU A 15 5.774 0.370 -5.479 1.00 0.00 C ATOM 255 CG GLU A 15 4.864 0.302 -6.694 1.00 0.00 C ATOM 256 CD GLU A 15 5.169 -0.887 -7.585 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.113 -0.792 -8.398 1.00 0.00 O ATOM 258 OE2 GLU A 15 4.464 -1.910 -7.471 1.00 0.00 O ATOM 0 H GLU A 15 6.580 2.836 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 15 4.236 1.325 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.782 0.625 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.828 -0.617 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.827 0.247 -6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.967 1.220 -7.272 1.00 0.00 H new ATOM 265 N ALA A 16 5.133 0.609 -2.140 1.00 0.00 N ATOM 266 CA ALA A 16 5.616 0.249 -0.814 1.00 0.00 C ATOM 267 C ALA A 16 5.554 -1.259 -0.612 1.00 0.00 C ATOM 268 O ALA A 16 4.533 -1.890 -0.887 1.00 0.00 O ATOM 269 CB ALA A 16 4.809 0.962 0.259 1.00 0.00 C ATOM 0 H ALA A 16 4.128 0.490 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 16 6.656 0.565 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.184 0.681 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.903 2.040 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.760 0.677 0.175 1.00 0.00 H new ATOM 275 N ILE A 17 6.651 -1.834 -0.137 1.00 0.00 N ATOM 276 CA ILE A 17 6.719 -3.270 0.093 1.00 0.00 C ATOM 277 C ILE A 17 7.438 -3.590 1.396 1.00 0.00 C ATOM 278 O ILE A 17 8.312 -2.842 1.837 1.00 0.00 O ATOM 279 CB ILE A 17 7.420 -3.995 -1.074 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.893 -3.582 -1.160 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.704 -3.702 -2.387 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.098 -2.138 -1.565 1.00 0.00 C ATOM 0 H ILE A 17 7.505 -1.328 0.096 1.00 0.00 H new ATOM 0 HA ILE A 17 5.692 -3.627 0.161 1.00 0.00 H new ATOM 0 HB ILE A 17 7.377 -5.068 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.365 -3.749 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.401 -4.227 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.210 -4.221 -3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.672 -4.047 -2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.717 -2.629 -2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.165 -1.919 -1.604 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.656 -1.969 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.620 -1.484 -0.835 1.00 0.00 H new ATOM 294 N LYS A 18 7.053 -4.699 2.012 1.00 0.00 N ATOM 295 CA LYS A 18 7.647 -5.117 3.272 1.00 0.00 C ATOM 296 C LYS A 18 7.230 -6.545 3.620 1.00 0.00 C ATOM 297 O LYS A 18 6.102 -6.955 3.346 1.00 0.00 O ATOM 298 CB LYS A 18 7.225 -4.143 4.377 1.00 0.00 C ATOM 299 CG LYS A 18 7.418 -4.671 5.792 1.00 0.00 C ATOM 300 CD LYS A 18 8.887 -4.811 6.138 1.00 0.00 C ATOM 301 CE LYS A 18 9.180 -4.315 7.544 1.00 0.00 C ATOM 302 NZ LYS A 18 10.639 -4.308 7.840 1.00 0.00 N ATOM 0 H LYS A 18 6.330 -5.326 1.658 1.00 0.00 H new ATOM 0 HA LYS A 18 8.733 -5.104 3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.794 -3.220 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.174 -3.889 4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.939 -3.996 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.926 -5.639 5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.184 -5.856 6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.485 -4.249 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.781 -3.308 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.666 -4.949 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.795 -3.963 8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.016 -5.273 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.127 -3.683 7.167 1.00 0.00 H new ATOM 316 N GLU A 19 8.145 -7.294 4.224 1.00 0.00 N ATOM 317 CA GLU A 19 7.871 -8.673 4.608 1.00 0.00 C ATOM 318 C GLU A 19 7.439 -8.757 6.069 1.00 0.00 C ATOM 319 O GLU A 19 8.137 -8.270 6.960 1.00 0.00 O ATOM 320 CB GLU A 19 9.103 -9.544 4.379 1.00 0.00 C ATOM 321 CG GLU A 19 8.793 -11.031 4.306 1.00 0.00 C ATOM 322 CD GLU A 19 9.822 -11.876 5.038 1.00 0.00 C ATOM 323 OE1 GLU A 19 10.875 -12.182 4.441 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.569 -12.232 6.209 1.00 0.00 O ATOM 0 H GLU A 19 9.083 -6.969 4.458 1.00 0.00 H new ATOM 0 HA GLU A 19 7.055 -9.040 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.588 -9.237 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.816 -9.369 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.807 -11.215 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.751 -11.339 3.261 1.00 0.00 H new ATOM 331 N ALA A 20 6.287 -9.374 6.308 1.00 0.00 N ATOM 332 CA ALA A 20 5.764 -9.518 7.662 1.00 0.00 C ATOM 333 C ALA A 20 5.152 -10.900 7.870 1.00 0.00 C ATOM 334 O ALA A 20 4.834 -11.600 6.909 1.00 0.00 O ATOM 335 CB ALA A 20 4.736 -8.435 7.948 1.00 0.00 C ATOM 0 H ALA A 20 5.698 -9.782 5.582 1.00 0.00 H new ATOM 0 HA ALA A 20 6.594 -9.409 8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.354 -8.555 8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.203 -7.455 7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.913 -8.518 7.238 1.00 0.00 H new ATOM 341 N VAL A 21 4.990 -11.286 9.132 1.00 0.00 N ATOM 342 CA VAL A 21 4.417 -12.584 9.467 1.00 0.00 C ATOM 343 C VAL A 21 3.005 -12.728 8.907 1.00 0.00 C ATOM 344 O VAL A 21 2.664 -13.751 8.313 1.00 0.00 O ATOM 345 CB VAL A 21 4.378 -12.807 10.990 1.00 0.00 C ATOM 346 CG1 VAL A 21 5.788 -12.881 11.556 1.00 0.00 C ATOM 347 CG2 VAL A 21 3.579 -11.706 11.672 1.00 0.00 C ATOM 0 H VAL A 21 5.248 -10.718 9.939 1.00 0.00 H new ATOM 0 HA VAL A 21 5.062 -13.337 9.013 1.00 0.00 H new ATOM 0 HB VAL A 21 3.882 -13.758 11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.740 -13.039 12.633 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.324 -13.709 11.092 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.313 -11.948 11.349 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.563 -11.881 12.748 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.042 -10.741 11.468 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.558 -11.706 11.289 1.00 0.00 H new ATOM 357 N ASP A 22 2.186 -11.697 9.099 1.00 0.00 N ATOM 358 CA ASP A 22 0.811 -11.713 8.610 1.00 0.00 C ATOM 359 C ASP A 22 0.489 -10.424 7.860 1.00 0.00 C ATOM 360 O ASP A 22 1.389 -9.667 7.494 1.00 0.00 O ATOM 361 CB ASP A 22 -0.166 -11.903 9.774 1.00 0.00 C ATOM 362 CG ASP A 22 0.275 -12.995 10.729 1.00 0.00 C ATOM 363 OD1 ASP A 22 0.523 -14.127 10.262 1.00 0.00 O ATOM 364 OD2 ASP A 22 0.373 -12.718 11.943 1.00 0.00 O ATOM 0 H ASP A 22 2.450 -10.842 9.589 1.00 0.00 H new ATOM 0 HA ASP A 22 0.704 -12.550 7.920 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.263 -10.965 10.320 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.153 -12.146 9.380 1.00 0.00 H new ATOM 369 N ALA A 23 -0.799 -10.177 7.634 1.00 0.00 N ATOM 370 CA ALA A 23 -1.231 -8.979 6.926 1.00 0.00 C ATOM 371 C ALA A 23 -1.421 -7.809 7.885 1.00 0.00 C ATOM 372 O ALA A 23 -1.161 -6.659 7.535 1.00 0.00 O ATOM 373 CB ALA A 23 -2.517 -9.247 6.164 1.00 0.00 C ATOM 0 H ALA A 23 -1.558 -10.790 7.931 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.449 -8.711 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.825 -8.342 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.352 -10.045 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.298 -9.546 6.863 1.00 0.00 H new ATOM 379 N GLY A 24 -1.875 -8.109 9.100 1.00 0.00 N ATOM 380 CA GLY A 24 -2.088 -7.068 10.091 1.00 0.00 C ATOM 381 C GLY A 24 -0.897 -6.135 10.207 1.00 0.00 C ATOM 382 O GLY A 24 -1.053 -4.941 10.460 1.00 0.00 O ATOM 0 H GLY A 24 -2.099 -9.053 9.415 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.974 -6.492 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.284 -7.526 11.060 1.00 0.00 H new ATOM 386 N THR A 25 0.295 -6.687 10.007 1.00 0.00 N ATOM 387 CA THR A 25 1.521 -5.905 10.076 1.00 0.00 C ATOM 388 C THR A 25 1.731 -5.130 8.780 1.00 0.00 C ATOM 389 O THR A 25 2.326 -4.052 8.778 1.00 0.00 O ATOM 390 CB THR A 25 2.721 -6.815 10.342 1.00 0.00 C ATOM 391 OG1 THR A 25 2.371 -7.858 11.234 1.00 0.00 O ATOM 392 CG2 THR A 25 3.907 -6.085 10.932 1.00 0.00 C ATOM 0 H THR A 25 0.437 -7.675 9.796 1.00 0.00 H new ATOM 0 HA THR A 25 1.430 -5.196 10.899 1.00 0.00 H new ATOM 0 HB THR A 25 3.007 -7.209 9.366 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.151 -8.430 11.390 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.723 -6.789 11.096 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.233 -5.305 10.244 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.621 -5.634 11.882 1.00 0.00 H new ATOM 400 N ALA A 26 1.230 -5.683 7.680 1.00 0.00 N ATOM 401 CA ALA A 26 1.356 -5.039 6.380 1.00 0.00 C ATOM 402 C ALA A 26 0.351 -3.902 6.248 1.00 0.00 C ATOM 403 O ALA A 26 0.681 -2.822 5.766 1.00 0.00 O ATOM 404 CB ALA A 26 1.163 -6.054 5.263 1.00 0.00 C ATOM 0 H ALA A 26 0.734 -6.574 7.664 1.00 0.00 H new ATOM 0 HA ALA A 26 2.360 -4.622 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.260 -5.556 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.919 -6.835 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.171 -6.499 5.343 1.00 0.00 H new ATOM 410 N GLU A 27 -0.877 -4.155 6.693 1.00 0.00 N ATOM 411 CA GLU A 27 -1.932 -3.150 6.634 1.00 0.00 C ATOM 412 C GLU A 27 -1.568 -1.943 7.495 1.00 0.00 C ATOM 413 O GLU A 27 -1.561 -0.809 7.019 1.00 0.00 O ATOM 414 CB GLU A 27 -3.259 -3.747 7.106 1.00 0.00 C ATOM 415 CG GLU A 27 -4.423 -2.769 7.048 1.00 0.00 C ATOM 416 CD GLU A 27 -5.687 -3.398 6.496 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.868 -4.621 6.674 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.496 -2.668 5.887 1.00 0.00 O ATOM 0 H GLU A 27 -1.165 -5.046 7.098 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.039 -2.823 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.495 -4.616 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.144 -4.102 8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.620 -2.385 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.146 -1.916 6.428 1.00 0.00 H new ATOM 425 N LYS A 28 -1.266 -2.199 8.765 1.00 0.00 N ATOM 426 CA LYS A 28 -0.899 -1.133 9.694 1.00 0.00 C ATOM 427 C LYS A 28 0.300 -0.337 9.180 1.00 0.00 C ATOM 428 O LYS A 28 0.340 0.886 9.304 1.00 0.00 O ATOM 429 CB LYS A 28 -0.586 -1.718 11.073 1.00 0.00 C ATOM 430 CG LYS A 28 -1.771 -1.695 12.027 1.00 0.00 C ATOM 431 CD LYS A 28 -1.705 -0.506 12.975 1.00 0.00 C ATOM 432 CE LYS A 28 -2.905 0.413 12.804 1.00 0.00 C ATOM 433 NZ LYS A 28 -3.375 0.958 14.108 1.00 0.00 N ATOM 0 H LYS A 28 -1.268 -3.133 9.174 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.747 -0.453 9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.246 -2.747 10.954 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.238 -1.160 11.517 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.698 -1.654 11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.793 -2.620 12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.663 -0.862 14.004 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.788 0.054 12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.641 1.236 12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.717 -0.135 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.194 1.579 13.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.651 0.174 14.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.609 1.502 14.553 1.00 0.00 H new ATOM 447 N TYR A 29 1.273 -1.037 8.600 1.00 0.00 N ATOM 448 CA TYR A 29 2.466 -0.378 8.069 1.00 0.00 C ATOM 449 C TYR A 29 2.137 0.344 6.766 1.00 0.00 C ATOM 450 O TYR A 29 2.522 1.497 6.568 1.00 0.00 O ATOM 451 CB TYR A 29 3.595 -1.392 7.839 1.00 0.00 C ATOM 452 CG TYR A 29 4.861 -0.780 7.277 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.916 -0.327 5.965 1.00 0.00 C ATOM 454 CD2 TYR A 29 6.001 -0.655 8.062 1.00 0.00 C ATOM 455 CE1 TYR A 29 6.070 0.231 5.449 1.00 0.00 C ATOM 456 CE2 TYR A 29 7.159 -0.098 7.554 1.00 0.00 C ATOM 457 CZ TYR A 29 7.189 0.344 6.249 1.00 0.00 C ATOM 458 OH TYR A 29 8.339 0.899 5.739 1.00 0.00 O ATOM 0 H TYR A 29 1.261 -2.051 8.486 1.00 0.00 H new ATOM 0 HA TYR A 29 2.805 0.353 8.803 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.828 -1.883 8.784 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.243 -2.166 7.157 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.041 -0.412 5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.981 -0.999 9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.096 0.577 4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.037 -0.009 8.177 1.00 0.00 H new ATOM 0 HH TYR A 29 9.033 0.906 6.431 1.00 0.00 H new ATOM 468 N PHE A 30 1.405 -0.337 5.887 1.00 0.00 N ATOM 469 CA PHE A 30 1.010 0.248 4.614 1.00 0.00 C ATOM 470 C PHE A 30 0.148 1.476 4.863 1.00 0.00 C ATOM 471 O PHE A 30 0.318 2.513 4.222 1.00 0.00 O ATOM 472 CB PHE A 30 0.248 -0.773 3.759 1.00 0.00 C ATOM 473 CG PHE A 30 1.130 -1.648 2.905 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.501 -1.706 3.115 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.582 -2.414 1.890 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.304 -2.511 2.328 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.380 -3.221 1.099 1.00 0.00 C ATOM 478 CZ PHE A 30 2.742 -3.268 1.319 1.00 0.00 C ATOM 0 H PHE A 30 1.076 -1.291 6.035 1.00 0.00 H new ATOM 0 HA PHE A 30 1.907 0.542 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.347 -1.408 4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.450 -0.240 3.113 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.946 -1.115 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.483 -2.381 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.369 -2.548 2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.938 -3.813 0.311 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.368 -3.896 0.702 1.00 0.00 H new ATOM 488 N LYS A 31 -0.774 1.353 5.811 1.00 0.00 N ATOM 489 CA LYS A 31 -1.656 2.455 6.162 1.00 0.00 C ATOM 490 C LYS A 31 -0.853 3.672 6.619 1.00 0.00 C ATOM 491 O LYS A 31 -1.215 4.810 6.321 1.00 0.00 O ATOM 492 CB LYS A 31 -2.631 2.027 7.262 1.00 0.00 C ATOM 493 CG LYS A 31 -3.875 2.895 7.344 1.00 0.00 C ATOM 494 CD LYS A 31 -4.313 3.109 8.783 1.00 0.00 C ATOM 495 CE LYS A 31 -5.599 3.915 8.861 1.00 0.00 C ATOM 496 NZ LYS A 31 -5.678 4.717 10.112 1.00 0.00 N ATOM 0 H LYS A 31 -0.929 0.500 6.349 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.223 2.731 5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.930 0.993 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.116 2.053 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.678 3.859 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.684 2.427 6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.458 2.143 9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.525 3.626 9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.663 4.580 7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.454 3.241 8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.570 5.252 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.642 4.082 10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.877 5.379 10.151 1.00 0.00 H new ATOM 510 N LEU A 32 0.239 3.428 7.345 1.00 0.00 N ATOM 511 CA LEU A 32 1.081 4.509 7.836 1.00 0.00 C ATOM 512 C LEU A 32 1.700 5.293 6.680 1.00 0.00 C ATOM 513 O LEU A 32 1.768 6.523 6.722 1.00 0.00 O ATOM 514 CB LEU A 32 2.177 3.950 8.750 1.00 0.00 C ATOM 515 CG LEU A 32 1.711 3.460 10.131 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.431 4.223 11.231 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.202 3.596 10.299 1.00 0.00 C ATOM 0 H LEU A 32 0.557 2.494 7.603 1.00 0.00 H new ATOM 0 HA LEU A 32 0.457 5.194 8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.664 3.121 8.237 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.932 4.723 8.895 1.00 0.00 H new ATOM 0 HG LEU A 32 1.959 2.401 10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.092 3.866 12.203 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.506 4.064 11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.213 5.287 11.139 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.088 3.239 11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.083 4.643 10.193 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.304 3.003 9.537 1.00 0.00 H new ATOM 529 N ILE A 33 2.144 4.584 5.644 1.00 0.00 N ATOM 530 CA ILE A 33 2.747 5.231 4.485 1.00 0.00 C ATOM 531 C ILE A 33 1.682 5.870 3.600 1.00 0.00 C ATOM 532 O ILE A 33 1.942 6.856 2.909 1.00 0.00 O ATOM 533 CB ILE A 33 3.580 4.235 3.649 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.330 4.970 2.534 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.695 3.139 3.072 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.819 5.080 2.778 1.00 0.00 C ATOM 0 H ILE A 33 2.097 3.567 5.585 1.00 0.00 H new ATOM 0 HA ILE A 33 3.411 6.008 4.864 1.00 0.00 H new ATOM 0 HB ILE A 33 4.312 3.765 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.162 4.451 1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.913 5.971 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.304 2.450 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.211 2.596 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.935 3.585 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.285 5.612 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.997 5.626 3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.250 4.082 2.857 1.00 0.00 H new ATOM 548 N ALA A 34 0.483 5.302 3.628 1.00 0.00 N ATOM 549 CA ALA A 34 -0.624 5.813 2.831 1.00 0.00 C ATOM 550 C ALA A 34 -1.071 7.186 3.325 1.00 0.00 C ATOM 551 O ALA A 34 -0.842 8.198 2.663 1.00 0.00 O ATOM 552 CB ALA A 34 -1.790 4.835 2.856 1.00 0.00 C ATOM 0 H ALA A 34 0.253 4.486 4.195 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.278 5.922 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.610 5.231 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.470 3.877 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.126 4.696 3.883 1.00 0.00 H new ATOM 558 N ASN A 35 -1.715 7.215 4.488 1.00 0.00 N ATOM 559 CA ASN A 35 -2.200 8.468 5.057 1.00 0.00 C ATOM 560 C ASN A 35 -1.064 9.467 5.279 1.00 0.00 C ATOM 561 O ASN A 35 -1.304 10.671 5.382 1.00 0.00 O ATOM 562 CB ASN A 35 -2.951 8.211 6.371 1.00 0.00 C ATOM 563 CG ASN A 35 -2.254 7.199 7.273 1.00 0.00 C ATOM 564 OD1 ASN A 35 -2.838 6.173 7.623 1.00 0.00 O ATOM 565 ND2 ASN A 35 -1.005 7.469 7.660 1.00 0.00 N ATOM 0 H ASN A 35 -1.912 6.389 5.053 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.891 8.907 4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.061 9.152 6.909 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.956 7.854 6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.506 6.816 8.264 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.550 8.328 7.352 1.00 0.00 H new ATOM 572 N ALA A 36 0.172 8.974 5.351 1.00 0.00 N ATOM 573 CA ALA A 36 1.323 9.847 5.556 1.00 0.00 C ATOM 574 C ALA A 36 1.740 10.520 4.255 1.00 0.00 C ATOM 575 O ALA A 36 1.612 11.735 4.103 1.00 0.00 O ATOM 576 CB ALA A 36 2.487 9.062 6.143 1.00 0.00 C ATOM 0 H ALA A 36 0.399 7.983 5.271 1.00 0.00 H new ATOM 0 HA ALA A 36 1.034 10.626 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.338 9.728 6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.191 8.634 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.767 8.261 5.459 1.00 0.00 H new ATOM 582 N LYS A 37 2.243 9.723 3.319 1.00 0.00 N ATOM 583 CA LYS A 37 2.684 10.243 2.027 1.00 0.00 C ATOM 584 C LYS A 37 1.497 10.723 1.190 1.00 0.00 C ATOM 585 O LYS A 37 1.644 11.578 0.328 1.00 0.00 O ATOM 586 CB LYS A 37 3.490 9.180 1.264 1.00 0.00 C ATOM 587 CG LYS A 37 2.646 8.165 0.497 1.00 0.00 C ATOM 588 CD LYS A 37 2.935 8.216 -0.995 1.00 0.00 C ATOM 589 CE LYS A 37 4.395 7.910 -1.291 1.00 0.00 C ATOM 590 NZ LYS A 37 4.866 6.696 -0.570 1.00 0.00 N ATOM 0 H LYS A 37 2.356 8.715 3.429 1.00 0.00 H new ATOM 0 HA LYS A 37 3.331 11.101 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.155 9.683 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.121 8.645 1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.848 7.163 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.588 8.364 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.299 7.499 -1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.684 9.204 -1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.526 7.768 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.010 8.763 -1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.599 6.220 -1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.262 6.971 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.066 6.047 -0.423 1.00 0.00 H new ATOM 604 N THR A 38 0.321 10.159 1.455 1.00 0.00 N ATOM 605 CA THR A 38 -0.887 10.531 0.728 1.00 0.00 C ATOM 606 C THR A 38 -2.057 10.732 1.686 1.00 0.00 C ATOM 607 O THR A 38 -1.951 10.445 2.877 1.00 0.00 O ATOM 608 CB THR A 38 -1.237 9.459 -0.305 1.00 0.00 C ATOM 609 OG1 THR A 38 -0.904 8.169 0.178 1.00 0.00 O ATOM 610 CG2 THR A 38 -0.529 9.650 -1.629 1.00 0.00 C ATOM 0 H THR A 38 0.180 9.443 2.168 1.00 0.00 H new ATOM 0 HA THR A 38 -0.696 11.472 0.213 1.00 0.00 H new ATOM 0 HB THR A 38 -2.310 9.555 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.266 8.054 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.822 8.856 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.804 10.616 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.549 9.616 -1.473 1.00 0.00 H new ATOM 618 N VAL A 39 -3.172 11.231 1.158 1.00 0.00 N ATOM 619 CA VAL A 39 -4.358 11.471 1.971 1.00 0.00 C ATOM 620 C VAL A 39 -5.635 11.292 1.155 1.00 0.00 C ATOM 621 O VAL A 39 -6.642 11.952 1.409 1.00 0.00 O ATOM 622 CB VAL A 39 -4.346 12.880 2.579 1.00 0.00 C ATOM 623 CG1 VAL A 39 -3.271 13.000 3.646 1.00 0.00 C ATOM 624 CG2 VAL A 39 -4.142 13.925 1.489 1.00 0.00 C ATOM 0 H VAL A 39 -3.278 11.476 0.173 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.340 10.736 2.776 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.311 13.058 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.282 14.007 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.463 12.278 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.295 12.801 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.136 14.920 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.191 13.746 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.953 13.858 0.764 1.00 0.00 H new ATOM 634 N GLU A 40 -5.588 10.394 0.174 1.00 0.00 N ATOM 635 CA GLU A 40 -6.744 10.129 -0.675 1.00 0.00 C ATOM 636 C GLU A 40 -6.432 9.038 -1.694 1.00 0.00 C ATOM 637 O GLU A 40 -5.324 8.968 -2.224 1.00 0.00 O ATOM 638 CB GLU A 40 -7.177 11.408 -1.398 1.00 0.00 C ATOM 639 CG GLU A 40 -8.682 11.621 -1.405 1.00 0.00 C ATOM 640 CD GLU A 40 -9.208 12.023 -2.766 1.00 0.00 C ATOM 641 OE1 GLU A 40 -8.543 12.830 -3.440 1.00 0.00 O ATOM 642 OE2 GLU A 40 -10.288 11.528 -3.156 1.00 0.00 O ATOM 0 H GLU A 40 -4.763 9.839 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.559 9.785 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.699 12.264 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.818 11.374 -2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.176 10.704 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.939 12.392 -0.678 1.00 0.00 H new ATOM 649 N GLY A 41 -7.417 8.187 -1.964 1.00 0.00 N ATOM 650 CA GLY A 41 -7.224 7.111 -2.920 1.00 0.00 C ATOM 651 C GLY A 41 -8.266 6.017 -2.788 1.00 0.00 C ATOM 652 O GLY A 41 -9.055 6.012 -1.843 1.00 0.00 O ATOM 0 H GLY A 41 -8.344 8.223 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.257 7.518 -3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.232 6.681 -2.781 1.00 0.00 H new ATOM 656 N VAL A 42 -8.261 5.084 -3.733 1.00 0.00 N ATOM 657 CA VAL A 42 -9.202 3.973 -3.719 1.00 0.00 C ATOM 658 C VAL A 42 -8.502 2.694 -3.294 1.00 0.00 C ATOM 659 O VAL A 42 -7.702 2.128 -4.041 1.00 0.00 O ATOM 660 CB VAL A 42 -9.866 3.761 -5.095 1.00 0.00 C ATOM 661 CG1 VAL A 42 -11.041 2.803 -4.978 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.307 5.092 -5.688 1.00 0.00 C ATOM 0 H VAL A 42 -7.613 5.076 -4.521 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.983 4.223 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.132 3.318 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.497 2.665 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.691 1.842 -4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.779 3.214 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.773 4.921 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.024 5.568 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.440 5.741 -5.811 1.00 0.00 H new ATOM 672 N TRP A 43 -8.803 2.261 -2.080 1.00 0.00 N ATOM 673 CA TRP A 43 -8.223 1.073 -1.503 1.00 0.00 C ATOM 674 C TRP A 43 -8.659 -0.184 -2.252 1.00 0.00 C ATOM 675 O TRP A 43 -9.850 -0.406 -2.475 1.00 0.00 O ATOM 676 CB TRP A 43 -8.667 1.000 -0.046 1.00 0.00 C ATOM 677 CG TRP A 43 -7.714 1.666 0.910 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.601 3.012 1.132 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.742 1.037 1.770 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.635 3.258 2.072 1.00 0.00 N ATOM 681 CE2 TRP A 43 -6.093 2.070 2.478 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.357 -0.292 2.015 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -5.090 1.826 3.408 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.339 -0.529 2.957 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.727 0.530 3.634 1.00 0.00 C ATOM 0 H TRP A 43 -9.465 2.735 -1.466 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.137 1.126 -1.575 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.648 1.465 0.050 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.781 -0.046 0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.189 3.771 0.637 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.364 4.180 2.414 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.830 -1.111 1.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.612 2.638 3.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.026 -1.543 3.160 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.949 0.318 4.352 1.00 0.00 H new ATOM 696 N THR A 44 -7.687 -1.003 -2.630 1.00 0.00 N ATOM 697 CA THR A 44 -7.958 -2.243 -3.346 1.00 0.00 C ATOM 698 C THR A 44 -6.877 -3.273 -3.042 1.00 0.00 C ATOM 699 O THR A 44 -5.770 -2.914 -2.648 1.00 0.00 O ATOM 700 CB THR A 44 -8.030 -1.986 -4.852 1.00 0.00 C ATOM 701 OG1 THR A 44 -7.122 -0.967 -5.230 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.407 -1.574 -5.324 1.00 0.00 C ATOM 0 H THR A 44 -6.698 -0.830 -2.452 1.00 0.00 H new ATOM 0 HA THR A 44 -8.920 -2.632 -3.013 1.00 0.00 H new ATOM 0 HB THR A 44 -7.774 -2.936 -5.320 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.182 -0.818 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.388 -1.407 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.122 -2.363 -5.091 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.704 -0.654 -4.820 1.00 0.00 H new ATOM 710 N TYR A 45 -7.195 -4.550 -3.227 1.00 0.00 N ATOM 711 CA TYR A 45 -6.223 -5.609 -2.967 1.00 0.00 C ATOM 712 C TYR A 45 -6.359 -6.745 -3.978 1.00 0.00 C ATOM 713 O TYR A 45 -7.451 -7.030 -4.469 1.00 0.00 O ATOM 714 CB TYR A 45 -6.359 -6.133 -1.524 1.00 0.00 C ATOM 715 CG TYR A 45 -6.163 -7.629 -1.376 1.00 0.00 C ATOM 716 CD1 TYR A 45 -7.179 -8.518 -1.706 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.964 -8.147 -0.907 1.00 0.00 C ATOM 718 CE1 TYR A 45 -7.004 -9.881 -1.571 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.781 -9.510 -0.770 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.804 -10.373 -1.102 1.00 0.00 C ATOM 721 OH TYR A 45 -5.625 -11.730 -0.968 1.00 0.00 O ATOM 0 H TYR A 45 -8.106 -4.875 -3.552 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.226 -5.184 -3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.631 -5.620 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.347 -5.870 -1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.120 -8.137 -2.074 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.161 -7.474 -0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.803 -10.559 -1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.841 -9.897 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.440 -12.197 -1.247 1.00 0.00 H new ATOM 731 N LYS A 46 -5.235 -7.390 -4.276 1.00 0.00 N ATOM 732 CA LYS A 46 -5.215 -8.500 -5.219 1.00 0.00 C ATOM 733 C LYS A 46 -4.762 -9.781 -4.529 1.00 0.00 C ATOM 734 O LYS A 46 -3.757 -9.790 -3.806 1.00 0.00 O ATOM 735 CB LYS A 46 -4.291 -8.185 -6.397 1.00 0.00 C ATOM 736 CG LYS A 46 -4.606 -8.992 -7.647 1.00 0.00 C ATOM 737 CD LYS A 46 -4.588 -8.121 -8.886 1.00 0.00 C ATOM 738 CE LYS A 46 -3.178 -7.668 -9.230 1.00 0.00 C ATOM 739 NZ LYS A 46 -3.141 -6.877 -10.496 1.00 0.00 N ATOM 0 H LYS A 46 -4.325 -7.161 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.227 -8.645 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.364 -7.123 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.260 -8.376 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.879 -9.797 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.585 -9.459 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.009 -8.673 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.223 -7.249 -8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.781 -7.065 -8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.530 -8.539 -9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.162 -6.587 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.496 -7.460 -11.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.739 -6.032 -10.395 1.00 0.00 H new ATOM 753 N ASP A 47 -5.513 -10.857 -4.756 1.00 0.00 N ATOM 754 CA ASP A 47 -5.208 -12.154 -4.162 1.00 0.00 C ATOM 755 C ASP A 47 -4.259 -12.951 -5.050 1.00 0.00 C ATOM 756 O ASP A 47 -4.553 -13.204 -6.216 1.00 0.00 O ATOM 757 CB ASP A 47 -6.495 -12.947 -3.930 1.00 0.00 C ATOM 758 CG ASP A 47 -6.298 -14.100 -2.966 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.588 -15.062 -3.326 1.00 0.00 O ATOM 760 OD2 ASP A 47 -6.853 -14.040 -1.848 1.00 0.00 O ATOM 0 H ASP A 47 -6.342 -10.854 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.718 -11.980 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.264 -12.280 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.858 -13.332 -4.883 1.00 0.00 H new ATOM 765 N GLU A 48 -3.123 -13.341 -4.472 1.00 0.00 N ATOM 766 CA GLU A 48 -2.090 -14.121 -5.171 1.00 0.00 C ATOM 767 C GLU A 48 -0.724 -13.886 -4.526 1.00 0.00 C ATOM 768 O GLU A 48 -0.032 -14.836 -4.161 1.00 0.00 O ATOM 769 CB GLU A 48 -2.028 -13.776 -6.671 1.00 0.00 C ATOM 770 CG GLU A 48 -2.666 -14.825 -7.580 1.00 0.00 C ATOM 771 CD GLU A 48 -2.215 -16.237 -7.256 1.00 0.00 C ATOM 772 OE1 GLU A 48 -1.028 -16.547 -7.486 1.00 0.00 O ATOM 773 OE2 GLU A 48 -3.049 -17.032 -6.777 1.00 0.00 O ATOM 0 H GLU A 48 -2.888 -13.126 -3.503 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.358 -15.174 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.525 -12.820 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.985 -13.646 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.751 -14.765 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.419 -14.599 -8.617 1.00 0.00 H new ATOM 780 N ILE A 49 -0.345 -12.614 -4.367 1.00 0.00 N ATOM 781 CA ILE A 49 0.924 -12.266 -3.746 1.00 0.00 C ATOM 782 C ILE A 49 0.711 -11.248 -2.628 1.00 0.00 C ATOM 783 O ILE A 49 1.658 -10.614 -2.163 1.00 0.00 O ATOM 784 CB ILE A 49 1.915 -11.688 -4.773 1.00 0.00 C ATOM 785 CG1 ILE A 49 1.326 -10.446 -5.446 1.00 0.00 C ATOM 786 CG2 ILE A 49 2.274 -12.738 -5.804 1.00 0.00 C ATOM 787 CD1 ILE A 49 1.907 -9.148 -4.933 1.00 0.00 C ATOM 0 H ILE A 49 -0.903 -11.813 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 49 1.344 -13.183 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 49 2.825 -11.392 -4.251 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.495 -10.511 -6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.247 -10.437 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.975 -12.316 -6.524 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.734 -13.593 -5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.372 -13.062 -6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.443 -8.311 -5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.715 -9.061 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.982 -9.135 -5.111 1.00 0.00 H new ATOM 799 N LYS A 50 -0.545 -11.093 -2.203 1.00 0.00 N ATOM 800 CA LYS A 50 -0.888 -10.152 -1.144 1.00 0.00 C ATOM 801 C LYS A 50 -0.459 -8.737 -1.516 1.00 0.00 C ATOM 802 O LYS A 50 0.609 -8.276 -1.107 1.00 0.00 O ATOM 803 CB LYS A 50 -0.230 -10.568 0.172 1.00 0.00 C ATOM 804 CG LYS A 50 -0.394 -12.044 0.496 1.00 0.00 C ATOM 805 CD LYS A 50 -1.571 -12.284 1.429 1.00 0.00 C ATOM 806 CE LYS A 50 -2.336 -13.540 1.048 1.00 0.00 C ATOM 807 NZ LYS A 50 -3.194 -14.028 2.163 1.00 0.00 N ATOM 0 H LYS A 50 -1.340 -11.610 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.971 -10.164 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.833 -10.331 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.655 -9.977 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.540 -12.606 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.519 -12.420 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.212 -12.372 2.454 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.241 -11.425 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.956 -13.336 0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.632 -14.322 0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.699 -14.886 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.600 -14.247 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.883 -13.292 2.418 1.00 0.00 H new ATOM 821 N THR A 51 -1.287 -8.049 -2.298 1.00 0.00 N ATOM 822 CA THR A 51 -0.963 -6.687 -2.713 1.00 0.00 C ATOM 823 C THR A 51 -2.184 -5.775 -2.658 1.00 0.00 C ATOM 824 O THR A 51 -3.283 -6.163 -3.049 1.00 0.00 O ATOM 825 CB THR A 51 -0.376 -6.689 -4.124 1.00 0.00 C ATOM 826 OG1 THR A 51 -0.256 -5.366 -4.619 1.00 0.00 O ATOM 827 CG2 THR A 51 -1.201 -7.476 -5.117 1.00 0.00 C ATOM 0 H THR A 51 -2.174 -8.405 -2.653 1.00 0.00 H new ATOM 0 HA THR A 51 -0.223 -6.297 -2.014 1.00 0.00 H new ATOM 0 HB THR A 51 0.599 -7.167 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.052 -4.775 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.727 -7.435 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.271 -8.514 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.201 -7.047 -5.180 1.00 0.00 H new ATOM 835 N PHE A 52 -1.971 -4.553 -2.173 1.00 0.00 N ATOM 836 CA PHE A 52 -3.040 -3.565 -2.068 1.00 0.00 C ATOM 837 C PHE A 52 -2.708 -2.334 -2.904 1.00 0.00 C ATOM 838 O PHE A 52 -1.556 -2.117 -3.266 1.00 0.00 O ATOM 839 CB PHE A 52 -3.258 -3.162 -0.607 1.00 0.00 C ATOM 840 CG PHE A 52 -3.108 -4.299 0.366 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.858 -4.819 0.655 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.219 -4.845 0.990 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.717 -5.864 1.549 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.084 -5.889 1.886 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.830 -6.399 2.166 1.00 0.00 C ATOM 0 H PHE A 52 -1.063 -4.224 -1.845 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.959 -4.013 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.548 -2.377 -0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.256 -2.736 -0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.983 -4.404 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.201 -4.450 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.736 -6.262 1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.957 -6.306 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.721 -7.214 2.866 1.00 0.00 H new ATOM 855 N THR A 53 -3.719 -1.529 -3.216 1.00 0.00 N ATOM 856 CA THR A 53 -3.498 -0.327 -4.014 1.00 0.00 C ATOM 857 C THR A 53 -4.444 0.799 -3.603 1.00 0.00 C ATOM 858 O THR A 53 -5.572 0.555 -3.172 1.00 0.00 O ATOM 859 CB THR A 53 -3.669 -0.647 -5.508 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.710 -1.603 -5.932 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.546 0.560 -6.424 1.00 0.00 C ATOM 0 H THR A 53 -4.687 -1.683 -2.933 1.00 0.00 H new ATOM 0 HA THR A 53 -2.478 0.013 -3.834 1.00 0.00 H new ATOM 0 HB THR A 53 -4.686 -1.032 -5.590 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.837 -1.794 -6.885 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.679 0.246 -7.459 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.311 1.292 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.559 1.008 -6.305 1.00 0.00 H new ATOM 869 N VAL A 54 -3.977 2.032 -3.762 1.00 0.00 N ATOM 870 CA VAL A 54 -4.774 3.211 -3.433 1.00 0.00 C ATOM 871 C VAL A 54 -4.645 4.259 -4.540 1.00 0.00 C ATOM 872 O VAL A 54 -3.628 4.943 -4.657 1.00 0.00 O ATOM 873 CB VAL A 54 -4.380 3.805 -2.049 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.296 4.876 -2.154 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.611 4.362 -1.347 1.00 0.00 C ATOM 0 H VAL A 54 -3.045 2.243 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.818 2.904 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.962 2.990 -1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.061 5.255 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.400 4.444 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.653 5.695 -2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.323 4.775 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.055 5.147 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.338 3.563 -1.199 1.00 0.00 H new ATOM 885 N THR A 55 -5.676 4.359 -5.373 1.00 0.00 N ATOM 886 CA THR A 55 -5.667 5.305 -6.486 1.00 0.00 C ATOM 887 C THR A 55 -6.537 6.524 -6.191 1.00 0.00 C ATOM 888 O THR A 55 -7.717 6.394 -5.868 1.00 0.00 O ATOM 889 CB THR A 55 -6.149 4.621 -7.766 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.958 3.220 -7.687 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.443 5.112 -9.011 1.00 0.00 C ATOM 0 H THR A 55 -6.526 3.799 -5.300 1.00 0.00 H new ATOM 0 HA THR A 55 -4.641 5.646 -6.622 1.00 0.00 H new ATOM 0 HB THR A 55 -7.207 4.872 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.274 2.800 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.833 4.585 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.613 6.182 -9.128 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.373 4.922 -8.921 1.00 0.00 H new ATOM 899 N GLU A 56 -5.945 7.709 -6.314 1.00 0.00 N ATOM 900 CA GLU A 56 -6.666 8.954 -6.065 1.00 0.00 C ATOM 901 C GLU A 56 -7.146 9.570 -7.375 1.00 0.00 C ATOM 902 O GLU A 56 -6.351 9.608 -8.338 1.00 0.00 O ATOM 903 CB GLU A 56 -5.774 9.943 -5.315 1.00 0.00 C ATOM 904 CG GLU A 56 -6.447 11.278 -5.030 1.00 0.00 C ATOM 905 CD GLU A 56 -6.375 12.230 -6.205 1.00 0.00 C ATOM 906 OE1 GLU A 56 -5.269 12.720 -6.498 1.00 0.00 O ATOM 907 OE2 GLU A 56 -7.427 12.478 -6.829 1.00 0.00 O ATOM 908 OXT GLU A 56 -8.313 10.012 -7.425 1.00 0.00 O ATOM 0 H GLU A 56 -4.969 7.833 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.537 8.728 -5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.462 9.495 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.870 10.119 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.492 11.106 -4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.975 11.741 -4.163 1.00 0.00 H new