USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=15 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 8 ASN : amide:sc= -2.19 K(o=-1.3,f=-0.54) USER MOD Set 1.2: A 55 THR OG1 : rot -56:sc= 0.875 USER MOD Single : A 1 THR N :NH3+ 153:sc= 1.06 (180deg=0.634) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 24:sc= -4.29! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0.639 (180deg=0.517) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0445 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+ 148:sc= -0.231 (180deg=-0.993) USER MOD Single : A 35 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.072) USER MOD Single : A 37 LYS NZ :NH3+ 144:sc= 0.948 (180deg=-1.13) USER MOD Single : A 38 THR OG1 : rot -9:sc= 0.0938 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 8:sc= 0.255 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 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -2.32! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.162 -13.715 5.023 1.00 0.00 N ATOM 2 CA THR A 1 4.415 -13.276 3.812 1.00 0.00 C ATOM 3 C THR A 1 4.810 -11.860 3.399 1.00 0.00 C ATOM 4 O THR A 1 4.942 -10.975 4.241 1.00 0.00 O ATOM 5 CB THR A 1 2.919 -13.340 4.115 1.00 0.00 C ATOM 6 OG1 THR A 1 2.674 -13.098 5.488 1.00 0.00 O ATOM 7 CG2 THR A 1 2.292 -14.674 3.764 1.00 0.00 C ATOM 0 H1 THR A 1 4.600 -14.421 5.540 1.00 0.00 H new ATOM 0 H2 THR A 1 6.069 -14.136 4.738 1.00 0.00 H new ATOM 0 H3 THR A 1 5.339 -12.895 5.638 1.00 0.00 H new ATOM 0 HA THR A 1 4.660 -13.938 2.981 1.00 0.00 H new ATOM 0 HB THR A 1 2.466 -12.569 3.492 1.00 0.00 H new ATOM 0 HG1 THR A 1 1.710 -13.142 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.229 -14.651 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.419 -14.867 2.699 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.776 -15.465 4.336 1.00 0.00 H new ATOM 17 N THR A 2 5.000 -11.661 2.099 1.00 0.00 N ATOM 18 CA THR A 2 5.380 -10.355 1.573 1.00 0.00 C ATOM 19 C THR A 2 4.177 -9.648 0.970 1.00 0.00 C ATOM 20 O THR A 2 3.424 -10.232 0.190 1.00 0.00 O ATOM 21 CB THR A 2 6.482 -10.512 0.524 1.00 0.00 C ATOM 22 OG1 THR A 2 6.926 -9.246 0.077 1.00 0.00 O ATOM 23 CG2 THR A 2 6.044 -11.297 -0.693 1.00 0.00 C ATOM 0 H THR A 2 4.897 -12.387 1.390 1.00 0.00 H new ATOM 0 HA THR A 2 5.758 -9.748 2.395 1.00 0.00 H new ATOM 0 HB THR A 2 7.280 -11.062 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.632 -9.365 -0.592 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.873 -11.370 -1.396 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.736 -12.298 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.206 -10.789 -1.171 1.00 0.00 H new ATOM 31 N TYR A 3 4.000 -8.383 1.335 1.00 0.00 N ATOM 32 CA TYR A 3 2.887 -7.588 0.830 1.00 0.00 C ATOM 33 C TYR A 3 3.391 -6.377 0.052 1.00 0.00 C ATOM 34 O TYR A 3 4.463 -5.844 0.342 1.00 0.00 O ATOM 35 CB TYR A 3 1.994 -7.137 1.987 1.00 0.00 C ATOM 36 CG TYR A 3 1.283 -8.278 2.677 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.980 -9.165 3.490 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.082 -8.474 2.515 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.336 -10.210 4.120 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.734 -9.518 3.142 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.021 -10.378 3.943 1.00 0.00 C ATOM 42 OH TYR A 3 -0.665 -11.418 4.568 1.00 0.00 O ATOM 0 H TYR A 3 4.614 -7.886 1.980 1.00 0.00 H new ATOM 0 HA TYR A 3 2.303 -8.210 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.601 -6.602 2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.253 -6.432 1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.043 -9.034 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.644 -7.798 1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.891 -10.892 4.747 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.796 -9.658 3.004 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.153 -11.693 5.357 1.00 0.00 H new ATOM 52 N LYS A 4 2.615 -5.946 -0.939 1.00 0.00 N ATOM 53 CA LYS A 4 2.992 -4.799 -1.759 1.00 0.00 C ATOM 54 C LYS A 4 1.847 -3.801 -1.869 1.00 0.00 C ATOM 55 O LYS A 4 0.676 -4.172 -1.806 1.00 0.00 O ATOM 56 CB LYS A 4 3.422 -5.263 -3.152 1.00 0.00 C ATOM 57 CG LYS A 4 4.492 -6.341 -3.129 1.00 0.00 C ATOM 58 CD LYS A 4 4.827 -6.824 -4.530 1.00 0.00 C ATOM 59 CE LYS A 4 5.280 -8.273 -4.528 1.00 0.00 C ATOM 60 NZ LYS A 4 5.409 -8.819 -5.907 1.00 0.00 N ATOM 0 H LYS A 4 1.724 -6.372 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 4 3.831 -4.300 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.550 -5.640 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.794 -4.406 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.392 -5.952 -2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.150 -7.182 -2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.952 -6.717 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.612 -6.197 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.239 -8.352 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.567 -8.875 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.720 -9.810 -5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.489 -8.767 -6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.109 -8.261 -6.437 1.00 0.00 H new ATOM 74 N LEU A 5 2.200 -2.529 -2.022 1.00 0.00 N ATOM 75 CA LEU A 5 1.211 -1.469 -2.129 1.00 0.00 C ATOM 76 C LEU A 5 1.501 -0.560 -3.323 1.00 0.00 C ATOM 77 O LEU A 5 2.638 -0.134 -3.530 1.00 0.00 O ATOM 78 CB LEU A 5 1.187 -0.660 -0.829 1.00 0.00 C ATOM 79 CG LEU A 5 0.642 0.768 -0.946 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.721 0.768 -1.624 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.557 1.421 0.426 1.00 0.00 C ATOM 0 H LEU A 5 3.167 -2.209 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 5 0.232 -1.920 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.586 -1.200 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.202 -0.611 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 5 1.330 1.348 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.091 1.791 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.630 0.342 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.419 0.171 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.168 2.434 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.108 0.840 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.550 1.457 0.874 1.00 0.00 H new ATOM 93 N ILE A 6 0.463 -0.263 -4.098 1.00 0.00 N ATOM 94 CA ILE A 6 0.598 0.602 -5.266 1.00 0.00 C ATOM 95 C ILE A 6 0.014 1.985 -4.981 1.00 0.00 C ATOM 96 O ILE A 6 -1.187 2.128 -4.757 1.00 0.00 O ATOM 97 CB ILE A 6 -0.092 -0.014 -6.502 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.603 -1.315 -6.905 1.00 0.00 C ATOM 99 CG2 ILE A 6 -0.096 0.968 -7.667 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.399 -2.441 -5.916 1.00 0.00 C ATOM 0 H ILE A 6 -0.483 -0.609 -3.938 1.00 0.00 H new ATOM 0 HA ILE A 6 1.662 0.702 -5.481 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.127 -0.236 -6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.232 -1.628 -7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.671 -1.128 -7.015 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.587 0.511 -8.526 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.634 1.872 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.930 1.225 -7.930 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.920 -3.332 -6.267 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.795 -2.148 -4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.666 -2.656 -5.824 1.00 0.00 H new ATOM 112 N LEU A 7 0.878 2.995 -4.985 1.00 0.00 N ATOM 113 CA LEU A 7 0.458 4.365 -4.717 1.00 0.00 C ATOM 114 C LEU A 7 0.389 5.186 -6.002 1.00 0.00 C ATOM 115 O LEU A 7 1.353 5.242 -6.769 1.00 0.00 O ATOM 116 CB LEU A 7 1.420 5.030 -3.732 1.00 0.00 C ATOM 117 CG LEU A 7 1.357 4.492 -2.301 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.576 4.936 -1.509 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.076 4.950 -1.617 1.00 0.00 C ATOM 0 H LEU A 7 1.875 2.890 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.540 4.327 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.437 4.910 -4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.212 6.100 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 7 1.355 3.403 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.513 4.544 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.479 4.558 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.611 6.025 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.047 4.559 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.049 6.039 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.786 4.580 -2.173 1.00 0.00 H new ATOM 131 N ASN A 8 -0.753 5.832 -6.222 1.00 0.00 N ATOM 132 CA ASN A 8 -0.951 6.661 -7.405 1.00 0.00 C ATOM 133 C ASN A 8 -1.298 8.089 -7.004 1.00 0.00 C ATOM 134 O ASN A 8 -2.437 8.380 -6.635 1.00 0.00 O ATOM 135 CB ASN A 8 -2.059 6.084 -8.288 1.00 0.00 C ATOM 136 CG ASN A 8 -1.924 4.586 -8.484 1.00 0.00 C ATOM 137 OD1 ASN A 8 -2.912 3.852 -8.456 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.695 4.124 -8.682 1.00 0.00 N ATOM 0 H ASN A 8 -1.556 5.796 -5.594 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.020 6.670 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -3.028 6.303 -7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.039 6.578 -9.260 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.542 3.125 -8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.096 4.768 -8.698 1.00 0.00 H new ATOM 145 N LEU A 9 -0.308 8.969 -7.073 1.00 0.00 N ATOM 146 CA LEU A 9 -0.501 10.370 -6.716 1.00 0.00 C ATOM 147 C LEU A 9 -0.367 11.276 -7.944 1.00 0.00 C ATOM 148 O LEU A 9 -0.114 10.795 -9.048 1.00 0.00 O ATOM 149 CB LEU A 9 0.515 10.794 -5.653 1.00 0.00 C ATOM 150 CG LEU A 9 0.525 9.924 -4.389 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.939 9.475 -4.057 1.00 0.00 C ATOM 152 CD2 LEU A 9 -0.083 10.676 -3.215 1.00 0.00 C ATOM 0 H LEU A 9 0.639 8.738 -7.373 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.509 10.475 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.511 10.778 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.310 11.825 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.081 9.038 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.924 8.859 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.341 8.894 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.568 10.349 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.066 10.042 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.494 11.581 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.113 10.945 -3.449 1.00 0.00 H new ATOM 164 N LYS A 10 -0.539 12.574 -7.737 1.00 0.00 N ATOM 165 CA LYS A 10 -0.439 13.537 -8.823 1.00 0.00 C ATOM 166 C LYS A 10 1.001 14.024 -8.993 1.00 0.00 C ATOM 167 O LYS A 10 1.253 15.225 -9.134 1.00 0.00 O ATOM 168 CB LYS A 10 -1.361 14.736 -8.565 1.00 0.00 C ATOM 169 CG LYS A 10 -2.762 14.333 -8.117 1.00 0.00 C ATOM 170 CD LYS A 10 -3.253 15.206 -6.973 1.00 0.00 C ATOM 171 CE LYS A 10 -2.987 14.559 -5.626 1.00 0.00 C ATOM 172 NZ LYS A 10 -3.699 15.256 -4.520 1.00 0.00 N ATOM 0 H LYS A 10 -0.748 12.984 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.749 13.037 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.912 15.373 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.435 15.331 -9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.451 14.412 -8.958 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.759 13.289 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.758 16.176 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.322 15.388 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.300 13.515 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.915 14.564 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.489 14.781 -3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.382 16.245 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.724 15.229 -4.695 1.00 0.00 H new ATOM 186 N GLN A 11 1.941 13.084 -8.984 1.00 0.00 N ATOM 187 CA GLN A 11 3.355 13.406 -9.136 1.00 0.00 C ATOM 188 C GLN A 11 4.204 12.142 -9.095 1.00 0.00 C ATOM 189 O GLN A 11 4.744 11.777 -8.052 1.00 0.00 O ATOM 190 CB GLN A 11 3.804 14.377 -8.043 1.00 0.00 C ATOM 191 CG GLN A 11 5.300 14.707 -8.095 1.00 0.00 C ATOM 192 CD GLN A 11 5.730 15.578 -6.936 1.00 0.00 C ATOM 193 OE1 GLN A 11 6.724 15.301 -6.263 1.00 0.00 O ATOM 194 NE2 GLN A 11 4.975 16.638 -6.701 1.00 0.00 N ATOM 0 H GLN A 11 1.747 12.089 -8.872 1.00 0.00 H new ATOM 0 HA GLN A 11 3.491 13.883 -10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.233 15.301 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.568 13.949 -7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.876 13.781 -8.086 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.527 15.214 -9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.161 16.825 -7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.206 17.269 -5.934 1.00 0.00 H new ATOM 203 N ALA A 12 4.313 11.470 -10.237 1.00 0.00 N ATOM 204 CA ALA A 12 5.094 10.245 -10.337 1.00 0.00 C ATOM 205 C ALA A 12 4.453 9.126 -9.517 1.00 0.00 C ATOM 206 O ALA A 12 3.846 9.376 -8.477 1.00 0.00 O ATOM 207 CB ALA A 12 6.525 10.482 -9.876 1.00 0.00 C ATOM 0 H ALA A 12 3.868 11.756 -11.109 1.00 0.00 H new ATOM 0 HA ALA A 12 5.112 9.940 -11.383 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.092 9.555 -9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.987 11.246 -10.501 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.522 10.815 -8.838 1.00 0.00 H new ATOM 213 N LYS A 13 4.594 7.901 -10.000 1.00 0.00 N ATOM 214 CA LYS A 13 4.028 6.743 -9.314 1.00 0.00 C ATOM 215 C LYS A 13 5.017 6.172 -8.303 1.00 0.00 C ATOM 216 O LYS A 13 6.207 6.042 -8.590 1.00 0.00 O ATOM 217 CB LYS A 13 3.639 5.663 -10.329 1.00 0.00 C ATOM 218 CG LYS A 13 2.851 4.518 -9.730 1.00 0.00 C ATOM 219 CD LYS A 13 2.499 3.477 -10.779 1.00 0.00 C ATOM 220 CE LYS A 13 1.360 2.582 -10.317 1.00 0.00 C ATOM 221 NZ LYS A 13 1.565 1.166 -10.727 1.00 0.00 N ATOM 0 H LYS A 13 5.093 7.680 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 13 3.136 7.069 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.050 6.120 -11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.544 5.267 -10.790 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.432 4.052 -8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.938 4.902 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.218 3.975 -11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.376 2.868 -10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.273 2.637 -9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.420 2.947 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.767 0.589 -10.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.623 1.110 -11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.449 0.809 -10.311 1.00 0.00 H new ATOM 235 N GLU A 14 4.518 5.833 -7.118 1.00 0.00 N ATOM 236 CA GLU A 14 5.364 5.276 -6.067 1.00 0.00 C ATOM 237 C GLU A 14 4.840 3.918 -5.610 1.00 0.00 C ATOM 238 O GLU A 14 3.631 3.691 -5.565 1.00 0.00 O ATOM 239 CB GLU A 14 5.439 6.239 -4.879 1.00 0.00 C ATOM 240 CG GLU A 14 6.844 6.745 -4.598 1.00 0.00 C ATOM 241 CD GLU A 14 6.898 7.687 -3.411 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.468 7.282 -2.310 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.369 8.826 -3.581 1.00 0.00 O ATOM 0 H GLU A 14 3.536 5.934 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 14 6.366 5.138 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.786 7.091 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.057 5.737 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.502 5.896 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.225 7.257 -5.481 1.00 0.00 H new ATOM 250 N GLU A 15 5.758 3.017 -5.274 1.00 0.00 N ATOM 251 CA GLU A 15 5.385 1.680 -4.824 1.00 0.00 C ATOM 252 C GLU A 15 5.983 1.372 -3.458 1.00 0.00 C ATOM 253 O GLU A 15 7.195 1.458 -3.263 1.00 0.00 O ATOM 254 CB GLU A 15 5.843 0.629 -5.836 1.00 0.00 C ATOM 255 CG GLU A 15 5.151 0.741 -7.184 1.00 0.00 C ATOM 256 CD GLU A 15 5.966 0.134 -8.309 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.199 0.011 -8.150 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.371 -0.216 -9.351 1.00 0.00 O ATOM 0 H GLU A 15 6.763 3.188 -5.305 1.00 0.00 H new ATOM 0 HA GLU A 15 4.299 1.649 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.919 0.721 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.660 -0.364 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.182 0.245 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.960 1.791 -7.404 1.00 0.00 H new ATOM 265 N ALA A 16 5.123 0.993 -2.521 1.00 0.00 N ATOM 266 CA ALA A 16 5.559 0.650 -1.175 1.00 0.00 C ATOM 267 C ALA A 16 5.419 -0.848 -0.944 1.00 0.00 C ATOM 268 O ALA A 16 4.430 -1.455 -1.355 1.00 0.00 O ATOM 269 CB ALA A 16 4.757 1.427 -0.141 1.00 0.00 C ATOM 0 H ALA A 16 4.117 0.916 -2.670 1.00 0.00 H new ATOM 0 HA ALA A 16 6.609 0.922 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.096 1.158 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.900 2.496 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.699 1.184 -0.243 1.00 0.00 H new ATOM 275 N ILE A 17 6.409 -1.446 -0.296 1.00 0.00 N ATOM 276 CA ILE A 17 6.374 -2.881 -0.031 1.00 0.00 C ATOM 277 C ILE A 17 7.156 -3.240 1.225 1.00 0.00 C ATOM 278 O ILE A 17 7.977 -2.459 1.706 1.00 0.00 O ATOM 279 CB ILE A 17 6.908 -3.696 -1.235 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.426 -3.541 -1.389 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.202 -3.268 -2.514 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.069 -4.668 -2.170 1.00 0.00 C ATOM 0 H ILE A 17 7.239 -0.967 0.054 1.00 0.00 H new ATOM 0 HA ILE A 17 5.328 -3.143 0.128 1.00 0.00 H new ATOM 0 HB ILE A 17 6.698 -4.749 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.639 -2.596 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.881 -3.489 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.586 -3.848 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.131 -3.441 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.383 -2.208 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.143 -4.495 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.887 -5.614 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.641 -4.707 -3.172 1.00 0.00 H new ATOM 294 N LYS A 18 6.882 -4.425 1.757 1.00 0.00 N ATOM 295 CA LYS A 18 7.546 -4.885 2.966 1.00 0.00 C ATOM 296 C LYS A 18 7.267 -6.367 3.214 1.00 0.00 C ATOM 297 O LYS A 18 6.374 -6.950 2.602 1.00 0.00 O ATOM 298 CB LYS A 18 7.084 -4.039 4.154 1.00 0.00 C ATOM 299 CG LYS A 18 5.680 -4.370 4.647 1.00 0.00 C ATOM 300 CD LYS A 18 5.644 -4.546 6.156 1.00 0.00 C ATOM 301 CE LYS A 18 6.239 -5.879 6.580 1.00 0.00 C ATOM 302 NZ LYS A 18 7.582 -5.716 7.200 1.00 0.00 N ATOM 0 H LYS A 18 6.205 -5.083 1.369 1.00 0.00 H new ATOM 0 HA LYS A 18 8.623 -4.770 2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.787 -4.173 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.120 -2.987 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.995 -3.574 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.330 -5.283 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.195 -3.734 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.614 -4.479 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.569 -6.367 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.317 -6.534 5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.989 -6.652 7.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.205 -5.198 6.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.492 -5.183 8.089 1.00 0.00 H new ATOM 316 N GLU A 19 8.038 -6.969 4.114 1.00 0.00 N ATOM 317 CA GLU A 19 7.870 -8.381 4.438 1.00 0.00 C ATOM 318 C GLU A 19 7.724 -8.583 5.943 1.00 0.00 C ATOM 319 O GLU A 19 8.527 -8.091 6.727 1.00 0.00 O ATOM 320 CB GLU A 19 9.051 -9.186 3.911 1.00 0.00 C ATOM 321 CG GLU A 19 8.650 -10.423 3.122 1.00 0.00 C ATOM 322 CD GLU A 19 9.347 -11.680 3.598 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.849 -12.317 4.548 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.402 -12.028 3.023 1.00 0.00 O ATOM 0 H GLU A 19 8.783 -6.502 4.631 1.00 0.00 H new ATOM 0 HA GLU A 19 6.957 -8.734 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.661 -8.544 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.675 -9.490 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.571 -10.561 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.878 -10.265 2.068 1.00 0.00 H new ATOM 331 N ALA A 20 6.685 -9.313 6.338 1.00 0.00 N ATOM 332 CA ALA A 20 6.431 -9.575 7.747 1.00 0.00 C ATOM 333 C ALA A 20 5.969 -11.019 7.956 1.00 0.00 C ATOM 334 O ALA A 20 5.837 -11.779 6.999 1.00 0.00 O ATOM 335 CB ALA A 20 5.399 -8.612 8.295 1.00 0.00 C ATOM 0 H ALA A 20 6.007 -9.732 5.701 1.00 0.00 H new ATOM 0 HA ALA A 20 7.365 -9.428 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.225 -8.826 9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.762 -7.590 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.466 -8.726 7.743 1.00 0.00 H new ATOM 341 N VAL A 21 5.725 -11.385 9.211 1.00 0.00 N ATOM 342 CA VAL A 21 5.277 -12.728 9.545 1.00 0.00 C ATOM 343 C VAL A 21 3.754 -12.824 9.589 1.00 0.00 C ATOM 344 O VAL A 21 3.202 -13.740 10.208 1.00 0.00 O ATOM 345 CB VAL A 21 5.848 -13.188 10.901 1.00 0.00 C ATOM 346 CG1 VAL A 21 7.332 -13.475 10.785 1.00 0.00 C ATOM 347 CG2 VAL A 21 5.581 -12.137 11.971 1.00 0.00 C ATOM 0 H VAL A 21 5.831 -10.766 10.014 1.00 0.00 H new ATOM 0 HA VAL A 21 5.648 -13.382 8.756 1.00 0.00 H new ATOM 0 HB VAL A 21 5.348 -14.111 11.194 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.717 -13.798 11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.494 -14.262 10.049 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.854 -12.571 10.471 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.990 -12.475 12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.056 -11.198 11.685 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.506 -11.984 12.071 1.00 0.00 H new ATOM 357 N ASP A 22 3.074 -11.886 8.935 1.00 0.00 N ATOM 358 CA ASP A 22 1.617 -11.882 8.908 1.00 0.00 C ATOM 359 C ASP A 22 1.100 -10.817 7.942 1.00 0.00 C ATOM 360 O ASP A 22 1.857 -10.281 7.126 1.00 0.00 O ATOM 361 CB ASP A 22 1.063 -11.633 10.314 1.00 0.00 C ATOM 362 CG ASP A 22 0.251 -12.793 10.824 1.00 0.00 C ATOM 363 OD1 ASP A 22 -0.597 -13.309 10.062 1.00 0.00 O ATOM 364 OD2 ASP A 22 0.447 -13.196 11.994 1.00 0.00 O ATOM 0 H ASP A 22 3.509 -11.121 8.418 1.00 0.00 H new ATOM 0 HA ASP A 22 1.276 -12.858 8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.889 -11.442 10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.444 -10.736 10.304 1.00 0.00 H new ATOM 369 N ALA A 23 -0.185 -10.499 8.035 1.00 0.00 N ATOM 370 CA ALA A 23 -0.788 -9.505 7.167 1.00 0.00 C ATOM 371 C ALA A 23 -1.127 -8.236 7.940 1.00 0.00 C ATOM 372 O ALA A 23 -0.921 -7.129 7.445 1.00 0.00 O ATOM 373 CB ALA A 23 -2.042 -10.054 6.507 1.00 0.00 C ATOM 0 H ALA A 23 -0.828 -10.919 8.706 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.060 -9.259 6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.477 -9.291 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.786 -10.931 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.764 -10.334 7.274 1.00 0.00 H new ATOM 379 N GLY A 24 -1.636 -8.399 9.154 1.00 0.00 N ATOM 380 CA GLY A 24 -1.984 -7.248 9.971 1.00 0.00 C ATOM 381 C GLY A 24 -0.859 -6.242 10.035 1.00 0.00 C ATOM 382 O GLY A 24 -1.082 -5.039 10.176 1.00 0.00 O ATOM 0 H GLY A 24 -1.815 -9.304 9.589 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.875 -6.770 9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.232 -7.580 10.979 1.00 0.00 H new ATOM 386 N THR A 25 0.369 -6.742 9.913 1.00 0.00 N ATOM 387 CA THR A 25 1.548 -5.891 9.943 1.00 0.00 C ATOM 388 C THR A 25 1.696 -5.138 8.626 1.00 0.00 C ATOM 389 O THR A 25 2.219 -4.026 8.593 1.00 0.00 O ATOM 390 CB THR A 25 2.800 -6.730 10.209 1.00 0.00 C ATOM 391 OG1 THR A 25 2.464 -7.938 10.867 1.00 0.00 O ATOM 392 CG2 THR A 25 3.831 -6.016 11.057 1.00 0.00 C ATOM 0 H THR A 25 0.570 -7.735 9.792 1.00 0.00 H new ATOM 0 HA THR A 25 1.430 -5.166 10.749 1.00 0.00 H new ATOM 0 HB THR A 25 3.232 -6.922 9.227 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.277 -8.461 11.027 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.692 -6.667 11.207 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.149 -5.104 10.552 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.395 -5.763 12.023 1.00 0.00 H new ATOM 400 N ALA A 26 1.223 -5.749 7.540 1.00 0.00 N ATOM 401 CA ALA A 26 1.299 -5.124 6.227 1.00 0.00 C ATOM 402 C ALA A 26 0.271 -4.007 6.101 1.00 0.00 C ATOM 403 O ALA A 26 0.532 -2.972 5.488 1.00 0.00 O ATOM 404 CB ALA A 26 1.090 -6.164 5.134 1.00 0.00 C ATOM 0 H ALA A 26 0.786 -6.671 7.546 1.00 0.00 H new ATOM 0 HA ALA A 26 2.292 -4.689 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.149 -5.683 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.862 -6.930 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.109 -6.624 5.253 1.00 0.00 H new ATOM 410 N GLU A 27 -0.889 -4.224 6.696 1.00 0.00 N ATOM 411 CA GLU A 27 -1.960 -3.238 6.668 1.00 0.00 C ATOM 412 C GLU A 27 -1.575 -2.010 7.489 1.00 0.00 C ATOM 413 O GLU A 27 -1.255 -0.955 6.940 1.00 0.00 O ATOM 414 CB GLU A 27 -3.256 -3.863 7.210 1.00 0.00 C ATOM 415 CG GLU A 27 -4.208 -2.867 7.855 1.00 0.00 C ATOM 416 CD GLU A 27 -5.637 -3.389 7.939 1.00 0.00 C ATOM 417 OE1 GLU A 27 -6.396 -3.195 6.967 1.00 0.00 O ATOM 418 OE2 GLU A 27 -5.990 -3.992 8.974 1.00 0.00 O ATOM 0 H GLU A 27 -1.116 -5.077 7.207 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.124 -2.922 5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.773 -4.365 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.998 -4.628 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.853 -2.628 8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.198 -1.939 7.284 1.00 0.00 H new ATOM 425 N LYS A 28 -1.620 -2.158 8.811 1.00 0.00 N ATOM 426 CA LYS A 28 -1.282 -1.063 9.724 1.00 0.00 C ATOM 427 C LYS A 28 0.002 -0.356 9.309 1.00 0.00 C ATOM 428 O LYS A 28 0.162 0.843 9.539 1.00 0.00 O ATOM 429 CB LYS A 28 -1.159 -1.584 11.161 1.00 0.00 C ATOM 430 CG LYS A 28 0.095 -2.405 11.419 1.00 0.00 C ATOM 431 CD LYS A 28 0.976 -1.762 12.479 1.00 0.00 C ATOM 432 CE LYS A 28 0.965 -2.555 13.776 1.00 0.00 C ATOM 433 NZ LYS A 28 0.095 -1.921 14.801 1.00 0.00 N ATOM 0 H LYS A 28 -1.887 -3.025 9.277 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.091 -0.335 9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.172 -0.736 11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.033 -2.193 11.391 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.186 -3.409 11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.658 -2.511 10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.998 -1.687 12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.632 -0.746 12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.616 -3.569 13.580 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.981 -2.636 14.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.113 -2.490 15.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.443 -0.963 15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.880 -1.866 14.443 1.00 0.00 H new ATOM 447 N TYR A 29 0.916 -1.095 8.689 1.00 0.00 N ATOM 448 CA TYR A 29 2.181 -0.516 8.241 1.00 0.00 C ATOM 449 C TYR A 29 1.976 0.255 6.944 1.00 0.00 C ATOM 450 O TYR A 29 2.446 1.384 6.796 1.00 0.00 O ATOM 451 CB TYR A 29 3.248 -1.600 8.047 1.00 0.00 C ATOM 452 CG TYR A 29 4.591 -1.058 7.607 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.776 -0.560 6.323 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.672 -1.046 8.476 1.00 0.00 C ATOM 455 CE1 TYR A 29 6.001 -0.066 5.919 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.902 -0.552 8.080 1.00 0.00 C ATOM 457 CZ TYR A 29 7.060 -0.064 6.801 1.00 0.00 C ATOM 458 OH TYR A 29 8.282 0.428 6.403 1.00 0.00 O ATOM 0 H TYR A 29 0.808 -2.089 8.486 1.00 0.00 H new ATOM 0 HA TYR A 29 2.531 0.170 9.013 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.375 -2.145 8.983 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.895 -2.317 7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.948 -0.559 5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.551 -1.429 9.479 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.128 0.317 4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.734 -0.549 8.769 1.00 0.00 H new ATOM 0 HH TYR A 29 8.920 0.358 7.144 1.00 0.00 H new ATOM 468 N PHE A 30 1.249 -0.356 6.011 1.00 0.00 N ATOM 469 CA PHE A 30 0.962 0.282 4.736 1.00 0.00 C ATOM 470 C PHE A 30 0.130 1.533 4.975 1.00 0.00 C ATOM 471 O PHE A 30 0.356 2.575 4.362 1.00 0.00 O ATOM 472 CB PHE A 30 0.220 -0.682 3.801 1.00 0.00 C ATOM 473 CG PHE A 30 1.122 -1.609 3.021 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.485 -1.676 3.283 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.598 -2.415 2.023 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.303 -2.527 2.563 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.414 -3.267 1.299 1.00 0.00 C ATOM 478 CZ PHE A 30 2.767 -3.323 1.570 1.00 0.00 C ATOM 0 H PHE A 30 0.851 -1.289 6.117 1.00 0.00 H new ATOM 0 HA PHE A 30 1.902 0.558 4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.473 -1.281 4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.378 -0.101 3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.910 -1.056 4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.460 -2.378 1.808 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.361 -2.569 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.993 -3.888 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.405 -3.988 1.006 1.00 0.00 H new ATOM 488 N LYS A 31 -0.825 1.422 5.893 1.00 0.00 N ATOM 489 CA LYS A 31 -1.679 2.545 6.237 1.00 0.00 C ATOM 490 C LYS A 31 -0.854 3.711 6.773 1.00 0.00 C ATOM 491 O LYS A 31 -1.120 4.868 6.453 1.00 0.00 O ATOM 492 CB LYS A 31 -2.723 2.122 7.275 1.00 0.00 C ATOM 493 CG LYS A 31 -4.006 2.933 7.214 1.00 0.00 C ATOM 494 CD LYS A 31 -4.299 3.618 8.540 1.00 0.00 C ATOM 495 CE LYS A 31 -5.783 3.607 8.855 1.00 0.00 C ATOM 496 NZ LYS A 31 -6.335 2.223 8.903 1.00 0.00 N ATOM 0 H LYS A 31 -1.024 0.565 6.410 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.190 2.871 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.962 1.069 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.291 2.216 8.271 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.926 3.682 6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.838 2.280 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.753 3.116 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.941 4.647 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.954 4.098 9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.318 4.184 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.108 2.182 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.698 1.961 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.584 1.559 9.181 1.00 0.00 H new ATOM 510 N LEU A 32 0.154 3.401 7.589 1.00 0.00 N ATOM 511 CA LEU A 32 1.013 4.430 8.158 1.00 0.00 C ATOM 512 C LEU A 32 1.720 5.221 7.059 1.00 0.00 C ATOM 513 O LEU A 32 1.831 6.446 7.141 1.00 0.00 O ATOM 514 CB LEU A 32 2.038 3.797 9.106 1.00 0.00 C ATOM 515 CG LEU A 32 1.484 3.282 10.445 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.183 3.971 11.603 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.025 3.484 10.547 1.00 0.00 C ATOM 0 H LEU A 32 0.392 2.449 7.867 1.00 0.00 H new ATOM 0 HA LEU A 32 0.390 5.122 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.518 2.966 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.814 4.533 9.315 1.00 0.00 H new ATOM 0 HG LEU A 32 1.680 2.211 10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.781 3.597 12.545 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.252 3.765 11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.018 5.047 11.540 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.378 3.108 11.507 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.256 4.546 10.466 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.520 2.943 9.741 1.00 0.00 H new ATOM 529 N ILE A 33 2.186 4.523 6.024 1.00 0.00 N ATOM 530 CA ILE A 33 2.870 5.178 4.916 1.00 0.00 C ATOM 531 C ILE A 33 1.869 5.854 3.984 1.00 0.00 C ATOM 532 O ILE A 33 2.180 6.862 3.349 1.00 0.00 O ATOM 533 CB ILE A 33 3.729 4.181 4.110 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.556 4.922 3.056 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.859 3.118 3.456 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.764 5.634 3.627 1.00 0.00 C ATOM 0 H ILE A 33 2.102 3.511 5.932 1.00 0.00 H new ATOM 0 HA ILE A 33 3.528 5.932 5.347 1.00 0.00 H new ATOM 0 HB ILE A 33 4.410 3.682 4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.887 4.211 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.920 5.650 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.488 2.428 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.315 2.569 4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.149 3.594 2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.303 6.137 2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.439 6.370 4.362 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.421 4.908 4.106 1.00 0.00 H new ATOM 548 N ALA A 34 0.666 5.296 3.916 1.00 0.00 N ATOM 549 CA ALA A 34 -0.386 5.845 3.071 1.00 0.00 C ATOM 550 C ALA A 34 -1.031 7.059 3.729 1.00 0.00 C ATOM 551 O ALA A 34 -0.934 8.175 3.226 1.00 0.00 O ATOM 552 CB ALA A 34 -1.432 4.783 2.772 1.00 0.00 C ATOM 0 H ALA A 34 0.395 4.462 4.437 1.00 0.00 H new ATOM 0 HA ALA A 34 0.063 6.167 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.212 5.208 2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.963 3.945 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.873 4.433 3.706 1.00 0.00 H new ATOM 558 N ASN A 35 -1.693 6.833 4.859 1.00 0.00 N ATOM 559 CA ASN A 35 -2.347 7.914 5.581 1.00 0.00 C ATOM 560 C ASN A 35 -1.389 9.062 5.874 1.00 0.00 C ATOM 561 O ASN A 35 -1.810 10.206 6.046 1.00 0.00 O ATOM 562 CB ASN A 35 -2.944 7.387 6.893 1.00 0.00 C ATOM 563 CG ASN A 35 -4.463 7.440 6.906 1.00 0.00 C ATOM 564 OD1 ASN A 35 -5.075 7.744 7.932 1.00 0.00 O ATOM 565 ND2 ASN A 35 -5.088 7.145 5.769 1.00 0.00 N ATOM 0 H ASN A 35 -1.790 5.914 5.292 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.144 8.299 4.944 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.619 6.358 7.049 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.556 7.974 7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.107 7.166 5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.548 6.898 4.940 1.00 0.00 H new ATOM 572 N ALA A 36 -0.095 8.755 5.935 1.00 0.00 N ATOM 573 CA ALA A 36 0.914 9.770 6.211 1.00 0.00 C ATOM 574 C ALA A 36 1.332 10.514 4.945 1.00 0.00 C ATOM 575 O ALA A 36 1.070 11.709 4.802 1.00 0.00 O ATOM 576 CB ALA A 36 2.128 9.137 6.874 1.00 0.00 C ATOM 0 H ALA A 36 0.276 7.815 5.797 1.00 0.00 H new ATOM 0 HA ALA A 36 0.472 10.499 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.875 9.905 7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.828 8.669 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.553 8.383 6.211 1.00 0.00 H new ATOM 582 N LYS A 37 1.998 9.807 4.036 1.00 0.00 N ATOM 583 CA LYS A 37 2.469 10.411 2.791 1.00 0.00 C ATOM 584 C LYS A 37 1.313 10.764 1.853 1.00 0.00 C ATOM 585 O LYS A 37 1.404 11.709 1.080 1.00 0.00 O ATOM 586 CB LYS A 37 3.473 9.480 2.092 1.00 0.00 C ATOM 587 CG LYS A 37 2.846 8.423 1.188 1.00 0.00 C ATOM 588 CD LYS A 37 3.155 8.690 -0.277 1.00 0.00 C ATOM 589 CE LYS A 37 4.647 8.607 -0.555 1.00 0.00 C ATOM 590 NZ LYS A 37 5.250 7.366 0.008 1.00 0.00 N ATOM 0 H LYS A 37 2.224 8.817 4.137 1.00 0.00 H new ATOM 0 HA LYS A 37 2.972 11.344 3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.156 10.087 1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.072 8.978 2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.219 7.437 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.766 8.409 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.627 7.967 -0.899 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.787 9.678 -0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.818 8.637 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.145 9.478 -0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.993 7.020 -0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.664 7.573 0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.514 6.638 0.110 1.00 0.00 H new ATOM 604 N THR A 38 0.228 9.999 1.926 1.00 0.00 N ATOM 605 CA THR A 38 -0.935 10.244 1.078 1.00 0.00 C ATOM 606 C THR A 38 -2.169 10.565 1.914 1.00 0.00 C ATOM 607 O THR A 38 -2.123 10.534 3.145 1.00 0.00 O ATOM 608 CB THR A 38 -1.214 9.030 0.188 1.00 0.00 C ATOM 609 OG1 THR A 38 -1.790 7.975 0.937 1.00 0.00 O ATOM 610 CG2 THR A 38 0.024 8.485 -0.491 1.00 0.00 C ATOM 0 H THR A 38 0.129 9.207 2.561 1.00 0.00 H new ATOM 0 HA THR A 38 -0.711 11.106 0.449 1.00 0.00 H new ATOM 0 HB THR A 38 -1.901 9.391 -0.578 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.756 8.195 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.246 7.626 -1.106 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.464 9.258 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.748 8.177 0.264 1.00 0.00 H new ATOM 618 N VAL A 39 -3.271 10.875 1.238 1.00 0.00 N ATOM 619 CA VAL A 39 -4.512 11.205 1.913 1.00 0.00 C ATOM 620 C VAL A 39 -5.690 11.198 0.939 1.00 0.00 C ATOM 621 O VAL A 39 -6.650 11.957 1.097 1.00 0.00 O ATOM 622 CB VAL A 39 -4.425 12.582 2.604 1.00 0.00 C ATOM 623 CG1 VAL A 39 -4.259 13.687 1.579 1.00 0.00 C ATOM 624 CG2 VAL A 39 -5.659 12.829 3.463 1.00 0.00 C ATOM 0 H VAL A 39 -3.325 10.903 0.220 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.676 10.440 2.672 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.549 12.584 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.200 14.649 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.345 13.521 1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.113 13.687 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.579 13.805 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.550 12.804 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.732 12.055 4.227 1.00 0.00 H new ATOM 634 N GLU A 40 -5.608 10.336 -0.071 1.00 0.00 N ATOM 635 CA GLU A 40 -6.660 10.230 -1.074 1.00 0.00 C ATOM 636 C GLU A 40 -6.354 9.117 -2.070 1.00 0.00 C ATOM 637 O GLU A 40 -5.294 9.104 -2.689 1.00 0.00 O ATOM 638 CB GLU A 40 -6.831 11.554 -1.814 1.00 0.00 C ATOM 639 CG GLU A 40 -8.132 11.650 -2.595 1.00 0.00 C ATOM 640 CD GLU A 40 -8.865 12.957 -2.345 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.300 13.180 -1.191 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.014 13.748 -3.294 1.00 0.00 O ATOM 0 H GLU A 40 -4.823 9.701 -0.215 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.589 9.989 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.788 12.371 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.994 11.688 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.921 11.553 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.779 10.816 -2.321 1.00 0.00 H new ATOM 649 N GLY A 41 -7.290 8.185 -2.220 1.00 0.00 N ATOM 650 CA GLY A 41 -7.092 7.086 -3.147 1.00 0.00 C ATOM 651 C GLY A 41 -8.131 5.994 -2.998 1.00 0.00 C ATOM 652 O GLY A 41 -8.899 5.982 -2.038 1.00 0.00 O ATOM 0 H GLY A 41 -8.178 8.171 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.118 7.469 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.100 6.661 -2.992 1.00 0.00 H new ATOM 656 N VAL A 42 -8.141 5.065 -3.951 1.00 0.00 N ATOM 657 CA VAL A 42 -9.085 3.950 -3.920 1.00 0.00 C ATOM 658 C VAL A 42 -8.385 2.690 -3.433 1.00 0.00 C ATOM 659 O VAL A 42 -7.568 2.100 -4.138 1.00 0.00 O ATOM 660 CB VAL A 42 -9.707 3.685 -5.306 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.946 2.815 -5.170 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.043 4.995 -6.005 1.00 0.00 C ATOM 0 H VAL A 42 -7.509 5.062 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.888 4.221 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.977 3.154 -5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.375 2.636 -6.156 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.674 1.863 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.679 3.321 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.481 4.785 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.755 5.557 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.134 5.582 -6.134 1.00 0.00 H new ATOM 672 N TRP A 43 -8.716 2.304 -2.207 1.00 0.00 N ATOM 673 CA TRP A 43 -8.151 1.141 -1.569 1.00 0.00 C ATOM 674 C TRP A 43 -8.631 -0.152 -2.224 1.00 0.00 C ATOM 675 O TRP A 43 -9.831 -0.382 -2.354 1.00 0.00 O ATOM 676 CB TRP A 43 -8.556 1.166 -0.103 1.00 0.00 C ATOM 677 CG TRP A 43 -7.558 1.829 0.804 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.359 3.176 0.936 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.624 1.199 1.708 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.374 3.424 1.853 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.909 2.236 2.342 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.322 -0.132 2.047 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.915 1.996 3.284 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.314 -0.366 3.004 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.632 0.700 3.602 1.00 0.00 C ATOM 0 H TRP A 43 -9.393 2.801 -1.628 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.066 1.168 -1.672 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.512 1.682 -0.011 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.713 0.142 0.236 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.902 3.936 0.394 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.040 4.348 2.128 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.849 -0.954 1.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.383 2.812 3.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.065 -1.380 3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.864 0.492 4.332 1.00 0.00 H new ATOM 696 N THR A 44 -7.685 -0.999 -2.615 1.00 0.00 N ATOM 697 CA THR A 44 -8.011 -2.280 -3.233 1.00 0.00 C ATOM 698 C THR A 44 -6.908 -3.295 -2.946 1.00 0.00 C ATOM 699 O THR A 44 -5.762 -2.918 -2.699 1.00 0.00 O ATOM 700 CB THR A 44 -8.226 -2.121 -4.743 1.00 0.00 C ATOM 701 OG1 THR A 44 -8.843 -3.274 -5.284 1.00 0.00 O ATOM 702 CG2 THR A 44 -6.951 -1.884 -5.528 1.00 0.00 C ATOM 0 H THR A 44 -6.685 -0.822 -2.515 1.00 0.00 H new ATOM 0 HA THR A 44 -8.943 -2.646 -2.802 1.00 0.00 H new ATOM 0 HB THR A 44 -8.858 -1.238 -4.841 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.974 -3.153 -6.248 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.189 -1.782 -6.587 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.471 -0.972 -5.175 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.275 -2.728 -5.388 1.00 0.00 H new ATOM 710 N TYR A 45 -7.251 -4.579 -2.977 1.00 0.00 N ATOM 711 CA TYR A 45 -6.267 -5.629 -2.713 1.00 0.00 C ATOM 712 C TYR A 45 -6.513 -6.850 -3.595 1.00 0.00 C ATOM 713 O TYR A 45 -7.650 -7.169 -3.943 1.00 0.00 O ATOM 714 CB TYR A 45 -6.286 -6.025 -1.224 1.00 0.00 C ATOM 715 CG TYR A 45 -5.713 -7.397 -0.932 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.448 -8.549 -1.177 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.427 -7.536 -0.414 1.00 0.00 C ATOM 718 CE1 TYR A 45 -5.932 -9.800 -0.907 1.00 0.00 C ATOM 719 CE2 TYR A 45 -3.901 -8.785 -0.142 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.650 -9.911 -0.392 1.00 0.00 C ATOM 721 OH TYR A 45 -4.135 -11.157 -0.122 1.00 0.00 O ATOM 0 H TYR A 45 -8.192 -4.917 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.281 -5.233 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.725 -5.282 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.315 -5.991 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.444 -8.464 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.832 -6.655 -0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.522 -10.685 -1.095 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.905 -8.876 0.266 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.744 -11.844 -0.465 1.00 0.00 H new ATOM 731 N LYS A 46 -5.426 -7.529 -3.946 1.00 0.00 N ATOM 732 CA LYS A 46 -5.496 -8.721 -4.782 1.00 0.00 C ATOM 733 C LYS A 46 -4.912 -9.925 -4.051 1.00 0.00 C ATOM 734 O LYS A 46 -3.870 -9.818 -3.394 1.00 0.00 O ATOM 735 CB LYS A 46 -4.750 -8.496 -6.103 1.00 0.00 C ATOM 736 CG LYS A 46 -5.028 -7.139 -6.731 1.00 0.00 C ATOM 737 CD LYS A 46 -5.640 -7.276 -8.112 1.00 0.00 C ATOM 738 CE LYS A 46 -4.703 -7.976 -9.063 1.00 0.00 C ATOM 739 NZ LYS A 46 -3.981 -7.013 -9.944 1.00 0.00 N ATOM 0 H LYS A 46 -4.481 -7.272 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.545 -8.921 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.679 -8.594 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.031 -9.279 -6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.702 -6.572 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.100 -6.572 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.574 -7.833 -8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.886 -6.288 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.979 -8.561 -8.495 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.267 -8.677 -9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.347 -7.535 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.670 -6.472 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.422 -6.359 -9.359 1.00 0.00 H new ATOM 753 N ASP A 47 -5.582 -11.067 -4.170 1.00 0.00 N ATOM 754 CA ASP A 47 -5.133 -12.294 -3.524 1.00 0.00 C ATOM 755 C ASP A 47 -4.165 -13.056 -4.417 1.00 0.00 C ATOM 756 O ASP A 47 -4.024 -12.744 -5.600 1.00 0.00 O ATOM 757 CB ASP A 47 -6.334 -13.180 -3.175 1.00 0.00 C ATOM 758 CG ASP A 47 -6.117 -13.952 -1.893 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.352 -13.483 -1.031 1.00 0.00 O ATOM 760 OD2 ASP A 47 -6.730 -15.037 -1.746 1.00 0.00 O ATOM 0 H ASP A 47 -6.441 -11.167 -4.710 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.612 -12.023 -2.606 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.225 -12.560 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.518 -13.878 -3.991 1.00 0.00 H new ATOM 765 N GLU A 48 -3.483 -14.045 -3.831 1.00 0.00 N ATOM 766 CA GLU A 48 -2.501 -14.873 -4.560 1.00 0.00 C ATOM 767 C GLU A 48 -1.107 -14.261 -4.453 1.00 0.00 C ATOM 768 O GLU A 48 -0.105 -14.973 -4.408 1.00 0.00 O ATOM 769 CB GLU A 48 -2.888 -15.027 -6.030 1.00 0.00 C ATOM 770 CG GLU A 48 -2.311 -16.273 -6.693 1.00 0.00 C ATOM 771 CD GLU A 48 -2.659 -17.540 -5.933 1.00 0.00 C ATOM 772 OE1 GLU A 48 -3.753 -18.082 -6.170 1.00 0.00 O ATOM 773 OE2 GLU A 48 -1.832 -17.986 -5.111 1.00 0.00 O ATOM 0 H GLU A 48 -3.590 -14.297 -2.848 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.495 -15.862 -4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.975 -15.056 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.552 -14.147 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.689 -16.348 -7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.227 -16.178 -6.760 1.00 0.00 H new ATOM 780 N ILE A 49 -1.052 -12.933 -4.403 1.00 0.00 N ATOM 781 CA ILE A 49 0.216 -12.225 -4.292 1.00 0.00 C ATOM 782 C ILE A 49 0.243 -11.335 -3.051 1.00 0.00 C ATOM 783 O ILE A 49 1.308 -10.889 -2.622 1.00 0.00 O ATOM 784 CB ILE A 49 0.484 -11.356 -5.538 1.00 0.00 C ATOM 785 CG1 ILE A 49 0.151 -12.126 -6.811 1.00 0.00 C ATOM 786 CG2 ILE A 49 1.932 -10.888 -5.558 1.00 0.00 C ATOM 787 CD1 ILE A 49 0.145 -11.269 -8.054 1.00 0.00 C ATOM 0 H ILE A 49 -1.872 -12.327 -4.438 1.00 0.00 H new ATOM 0 HA ILE A 49 0.996 -12.982 -4.210 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.161 -10.479 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.875 -12.931 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.827 -12.593 -6.697 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.104 -10.276 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.136 -10.299 -4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.594 -11.754 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.100 -11.885 -8.919 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.599 -10.480 -7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.130 -10.823 -8.193 1.00 0.00 H new ATOM 799 N LYS A 50 -0.931 -11.079 -2.476 1.00 0.00 N ATOM 800 CA LYS A 50 -1.036 -10.245 -1.284 1.00 0.00 C ATOM 801 C LYS A 50 -0.532 -8.833 -1.563 1.00 0.00 C ATOM 802 O LYS A 50 0.605 -8.493 -1.233 1.00 0.00 O ATOM 803 CB LYS A 50 -0.249 -10.855 -0.130 1.00 0.00 C ATOM 804 CG LYS A 50 -0.957 -12.029 0.534 1.00 0.00 C ATOM 805 CD LYS A 50 -0.564 -13.357 -0.102 1.00 0.00 C ATOM 806 CE LYS A 50 -1.766 -14.261 -0.286 1.00 0.00 C ATOM 807 NZ LYS A 50 -2.001 -15.123 0.908 1.00 0.00 N ATOM 0 H LYS A 50 -1.822 -11.438 -2.818 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.089 -10.192 -1.006 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.722 -11.187 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.060 -10.085 0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.713 -12.048 1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.036 -11.894 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.094 -13.174 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.176 -13.856 0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.651 -13.654 -0.475 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.617 -14.890 -1.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.832 -15.726 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.166 -15.721 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.169 -14.524 1.741 1.00 0.00 H new ATOM 821 N THR A 51 -1.379 -8.011 -2.175 1.00 0.00 N ATOM 822 CA THR A 51 -0.996 -6.639 -2.489 1.00 0.00 C ATOM 823 C THR A 51 -2.203 -5.709 -2.518 1.00 0.00 C ATOM 824 O THR A 51 -3.268 -6.078 -2.997 1.00 0.00 O ATOM 825 CB THR A 51 -0.266 -6.586 -3.832 1.00 0.00 C ATOM 826 OG1 THR A 51 -1.145 -6.918 -4.893 1.00 0.00 O ATOM 827 CG2 THR A 51 0.917 -7.526 -3.907 1.00 0.00 C ATOM 0 H THR A 51 -2.324 -8.267 -2.461 1.00 0.00 H new ATOM 0 HA THR A 51 -0.327 -6.296 -1.699 1.00 0.00 H new ATOM 0 HB THR A 51 0.097 -5.562 -3.924 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.661 -6.877 -5.744 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.390 -7.439 -4.885 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.638 -7.267 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.577 -8.551 -3.758 1.00 0.00 H new ATOM 835 N PHE A 52 -2.009 -4.497 -2.007 1.00 0.00 N ATOM 836 CA PHE A 52 -3.068 -3.497 -1.972 1.00 0.00 C ATOM 837 C PHE A 52 -2.709 -2.310 -2.860 1.00 0.00 C ATOM 838 O PHE A 52 -1.552 -2.143 -3.241 1.00 0.00 O ATOM 839 CB PHE A 52 -3.308 -3.011 -0.540 1.00 0.00 C ATOM 840 CG PHE A 52 -3.108 -4.068 0.510 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.834 -4.510 0.829 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.188 -4.616 1.181 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.642 -5.480 1.794 1.00 0.00 C ATOM 844 CE2 PHE A 52 -3.998 -5.585 2.147 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.723 -6.017 2.454 1.00 0.00 C ATOM 0 H PHE A 52 -1.123 -4.184 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.981 -3.961 -2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.636 -2.178 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.325 -2.627 -0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.980 -4.091 0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.188 -4.283 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.643 -5.817 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.848 -6.006 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.575 -6.774 3.210 1.00 0.00 H new ATOM 855 N THR A 53 -3.692 -1.487 -3.192 1.00 0.00 N ATOM 856 CA THR A 53 -3.455 -0.323 -4.032 1.00 0.00 C ATOM 857 C THR A 53 -4.362 0.839 -3.647 1.00 0.00 C ATOM 858 O THR A 53 -5.482 0.636 -3.166 1.00 0.00 O ATOM 859 CB THR A 53 -3.650 -0.681 -5.511 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.694 -1.641 -5.925 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.551 0.506 -6.459 1.00 0.00 C ATOM 0 H THR A 53 -4.660 -1.603 -2.893 1.00 0.00 H new ATOM 0 HA THR A 53 -2.423 -0.008 -3.876 1.00 0.00 H new ATOM 0 HB THR A 53 -4.665 -1.074 -5.568 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.836 -1.857 -6.870 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.701 0.167 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.316 1.240 -6.204 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.566 0.963 -6.368 1.00 0.00 H new ATOM 869 N VAL A 54 -3.885 2.053 -3.875 1.00 0.00 N ATOM 870 CA VAL A 54 -4.647 3.259 -3.575 1.00 0.00 C ATOM 871 C VAL A 54 -4.543 4.257 -4.729 1.00 0.00 C ATOM 872 O VAL A 54 -3.538 4.950 -4.884 1.00 0.00 O ATOM 873 CB VAL A 54 -4.205 3.903 -2.230 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.096 4.935 -2.408 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.391 4.528 -1.532 1.00 0.00 C ATOM 0 H VAL A 54 -2.962 2.232 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.693 2.973 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.799 3.101 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.827 5.352 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.223 4.458 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.444 5.734 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.066 4.975 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.824 5.299 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.140 3.762 -1.330 1.00 0.00 H new ATOM 885 N THR A 55 -5.578 4.304 -5.558 1.00 0.00 N ATOM 886 CA THR A 55 -5.594 5.199 -6.711 1.00 0.00 C ATOM 887 C THR A 55 -6.299 6.511 -6.395 1.00 0.00 C ATOM 888 O THR A 55 -7.496 6.522 -6.090 1.00 0.00 O ATOM 889 CB THR A 55 -6.262 4.517 -7.902 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.687 3.247 -8.147 1.00 0.00 O ATOM 891 CG2 THR A 55 -6.170 5.319 -9.184 1.00 0.00 C ATOM 0 H THR A 55 -6.417 3.734 -5.455 1.00 0.00 H new ATOM 0 HA THR A 55 -4.559 5.430 -6.964 1.00 0.00 H new ATOM 0 HB THR A 55 -7.312 4.425 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.720 3.344 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.665 4.776 -9.989 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.656 6.284 -9.045 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.122 5.474 -9.442 1.00 0.00 H new ATOM 899 N GLU A 56 -5.564 7.616 -6.474 1.00 0.00 N ATOM 900 CA GLU A 56 -6.126 8.936 -6.202 1.00 0.00 C ATOM 901 C GLU A 56 -7.062 9.367 -7.328 1.00 0.00 C ATOM 902 O GLU A 56 -7.300 8.548 -8.243 1.00 0.00 O ATOM 903 CB GLU A 56 -5.000 9.960 -6.006 1.00 0.00 C ATOM 904 CG GLU A 56 -4.596 10.699 -7.277 1.00 0.00 C ATOM 905 CD GLU A 56 -4.068 9.762 -8.348 1.00 0.00 C ATOM 906 OE1 GLU A 56 -4.869 8.990 -8.910 1.00 0.00 O ATOM 907 OE2 GLU A 56 -2.852 9.817 -8.632 1.00 0.00 O ATOM 908 OXT GLU A 56 -7.553 10.508 -7.278 1.00 0.00 O ATOM 0 H GLU A 56 -4.575 7.624 -6.725 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.709 8.883 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.314 10.690 -5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.126 9.449 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.456 11.244 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.832 11.439 -7.037 1.00 0.00 H new TER 915 GLU A 56