USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 458 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 3 TYR OH : rot 150:sc= -6.35! USER MOD Set 1.2: A 45 TYR OH : rot 180:sc= -0.824 USER MOD Single : A 2 THR OG1 : rot 17:sc= -0.228 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.55 K(o=-2.6,f=-5.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.446 K(o=-0.45,f=-4.3!) 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+ -153:sc= 0 (180deg=-0.453) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 0.291 (180deg=0.032) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.55) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00503) USER MOD Single : A 38 THR OG1 : rot -150:sc= -1.34! USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.363 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 -140:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.858 -10.182 -3.000 1.00 0.00 N ATOM 18 CA THR A 2 5.421 -8.865 -3.274 1.00 0.00 C ATOM 19 C THR A 2 4.361 -7.777 -3.137 1.00 0.00 C ATOM 20 O THR A 2 3.349 -7.791 -3.837 1.00 0.00 O ATOM 21 CB THR A 2 6.024 -8.829 -4.680 1.00 0.00 C ATOM 22 OG1 THR A 2 6.686 -7.599 -4.910 1.00 0.00 O ATOM 23 CG2 THR A 2 4.997 -9.011 -5.777 1.00 0.00 C ATOM 0 HA THR A 2 6.206 -8.675 -2.542 1.00 0.00 H new ATOM 0 HB THR A 2 6.722 -9.666 -4.716 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.855 -7.153 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.491 -8.975 -6.748 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.503 -9.975 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.256 -8.214 -5.718 1.00 0.00 H new ATOM 31 N TYR A 3 4.604 -6.833 -2.233 1.00 0.00 N ATOM 32 CA TYR A 3 3.672 -5.736 -2.008 1.00 0.00 C ATOM 33 C TYR A 3 4.219 -4.431 -2.581 1.00 0.00 C ATOM 34 O TYR A 3 5.358 -4.056 -2.309 1.00 0.00 O ATOM 35 CB TYR A 3 3.388 -5.583 -0.512 1.00 0.00 C ATOM 36 CG TYR A 3 2.123 -6.282 -0.080 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.882 -5.686 -0.264 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.168 -7.549 0.488 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.281 -6.335 0.109 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.011 -8.204 0.859 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.210 -7.594 0.666 1.00 0.00 C ATOM 42 OH TYR A 3 -1.365 -8.248 1.027 1.00 0.00 O ATOM 0 H TYR A 3 5.437 -6.806 -1.646 1.00 0.00 H new ATOM 0 HA TYR A 3 2.739 -5.968 -2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.229 -5.982 0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.313 -4.523 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 3 0.824 -4.702 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.123 -8.029 0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.239 -5.858 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.062 -9.189 1.298 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.233 -9.215 0.943 1.00 0.00 H new ATOM 52 N LYS A 4 3.402 -3.752 -3.380 1.00 0.00 N ATOM 53 CA LYS A 4 3.811 -2.493 -3.999 1.00 0.00 C ATOM 54 C LYS A 4 3.091 -1.306 -3.367 1.00 0.00 C ATOM 55 O LYS A 4 1.914 -1.393 -3.016 1.00 0.00 O ATOM 56 CB LYS A 4 3.529 -2.528 -5.502 1.00 0.00 C ATOM 57 CG LYS A 4 4.505 -1.697 -6.321 1.00 0.00 C ATOM 58 CD LYS A 4 4.489 -2.105 -7.786 1.00 0.00 C ATOM 59 CE LYS A 4 4.983 -0.980 -8.683 1.00 0.00 C ATOM 60 NZ LYS A 4 5.975 -1.463 -9.684 1.00 0.00 N ATOM 0 H LYS A 4 2.455 -4.050 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 4 4.882 -2.372 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.565 -3.561 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.516 -2.167 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.249 -0.641 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.512 -1.815 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.116 -2.986 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.476 -2.385 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.136 -0.529 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.435 -0.200 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.287 -0.667 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.795 -1.870 -9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.536 -2.190 -10.285 1.00 0.00 H new ATOM 74 N LEU A 5 3.807 -0.193 -3.231 1.00 0.00 N ATOM 75 CA LEU A 5 3.235 1.018 -2.648 1.00 0.00 C ATOM 76 C LEU A 5 3.626 2.248 -3.458 1.00 0.00 C ATOM 77 O LEU A 5 4.743 2.345 -3.965 1.00 0.00 O ATOM 78 CB LEU A 5 3.690 1.183 -1.197 1.00 0.00 C ATOM 79 CG LEU A 5 3.276 2.499 -0.534 1.00 0.00 C ATOM 80 CD1 LEU A 5 1.762 2.568 -0.385 1.00 0.00 C ATOM 81 CD2 LEU A 5 3.952 2.647 0.820 1.00 0.00 C ATOM 0 H LEU A 5 4.782 -0.104 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 5 2.150 0.919 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 5 3.289 0.356 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.776 1.102 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 5 3.597 3.323 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.486 3.510 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.296 2.506 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.419 1.738 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.647 3.588 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.660 1.818 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.034 2.641 0.689 1.00 0.00 H new ATOM 93 N ILE A 6 2.692 3.187 -3.575 1.00 0.00 N ATOM 94 CA ILE A 6 2.930 4.417 -4.319 1.00 0.00 C ATOM 95 C ILE A 6 2.433 5.628 -3.536 1.00 0.00 C ATOM 96 O ILE A 6 1.308 5.633 -3.033 1.00 0.00 O ATOM 97 CB ILE A 6 2.242 4.378 -5.703 1.00 0.00 C ATOM 98 CG1 ILE A 6 2.177 5.780 -6.320 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.843 3.781 -5.586 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.754 5.782 -7.774 1.00 0.00 C ATOM 0 H ILE A 6 1.762 3.118 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 6 4.006 4.504 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 6 2.837 3.744 -6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.478 6.389 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.156 6.252 -6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.373 3.761 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.912 2.766 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.243 4.389 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.730 6.807 -8.145 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.465 5.201 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.762 5.340 -7.865 1.00 0.00 H new ATOM 112 N LEU A 7 3.270 6.655 -3.441 1.00 0.00 N ATOM 113 CA LEU A 7 2.900 7.871 -2.725 1.00 0.00 C ATOM 114 C LEU A 7 2.990 9.094 -3.631 1.00 0.00 C ATOM 115 O LEU A 7 3.972 9.275 -4.353 1.00 0.00 O ATOM 116 CB LEU A 7 3.791 8.076 -1.498 1.00 0.00 C ATOM 117 CG LEU A 7 3.627 7.031 -0.389 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.858 6.138 -0.306 1.00 0.00 C ATOM 119 CD2 LEU A 7 3.362 7.709 0.950 1.00 0.00 C ATOM 0 H LEU A 7 4.205 6.671 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 7 1.867 7.753 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.832 8.079 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.585 9.061 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 7 2.768 6.405 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.722 5.403 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.999 5.624 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.735 6.747 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.248 6.951 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.199 8.361 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.449 8.300 0.884 1.00 0.00 H new ATOM 131 N ASN A 8 1.960 9.930 -3.584 1.00 0.00 N ATOM 132 CA ASN A 8 1.918 11.141 -4.394 1.00 0.00 C ATOM 133 C ASN A 8 1.661 12.364 -3.518 1.00 0.00 C ATOM 134 O ASN A 8 0.518 12.800 -3.367 1.00 0.00 O ATOM 135 CB ASN A 8 0.833 11.028 -5.466 1.00 0.00 C ATOM 136 CG ASN A 8 0.995 9.785 -6.319 1.00 0.00 C ATOM 137 OD1 ASN A 8 2.053 9.161 -6.334 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.062 9.420 -7.037 1.00 0.00 N ATOM 0 H ASN A 8 1.141 9.791 -2.992 1.00 0.00 H new ATOM 0 HA ASN A 8 2.885 11.259 -4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.147 11.013 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.863 11.911 -6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.014 8.592 -7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.921 9.968 -6.994 1.00 0.00 H new ATOM 145 N LEU A 9 2.725 12.907 -2.941 1.00 0.00 N ATOM 146 CA LEU A 9 2.611 14.074 -2.076 1.00 0.00 C ATOM 147 C LEU A 9 2.913 15.352 -2.841 1.00 0.00 C ATOM 148 O LEU A 9 3.476 15.316 -3.941 1.00 0.00 O ATOM 149 CB LEU A 9 3.543 13.940 -0.867 1.00 0.00 C ATOM 150 CG LEU A 9 5.039 14.073 -1.172 1.00 0.00 C ATOM 151 CD1 LEU A 9 5.797 14.518 0.069 1.00 0.00 C ATOM 152 CD2 LEU A 9 5.596 12.754 -1.697 1.00 0.00 C ATOM 0 H LEU A 9 3.677 12.558 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 9 1.583 14.129 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.270 14.699 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.369 12.970 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 9 5.168 14.832 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.858 14.607 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.416 15.484 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.661 13.782 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.659 12.867 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.455 11.976 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.072 12.476 -2.611 1.00 0.00 H new ATOM 164 N LYS A 10 2.537 16.487 -2.259 1.00 0.00 N ATOM 165 CA LYS A 10 2.768 17.784 -2.889 1.00 0.00 C ATOM 166 C LYS A 10 4.222 17.960 -3.306 1.00 0.00 C ATOM 167 O LYS A 10 4.518 18.664 -4.267 1.00 0.00 O ATOM 168 CB LYS A 10 2.366 18.906 -1.928 1.00 0.00 C ATOM 169 CG LYS A 10 2.026 20.213 -2.626 1.00 0.00 C ATOM 170 CD LYS A 10 0.723 20.118 -3.396 1.00 0.00 C ATOM 171 CE LYS A 10 0.706 21.049 -4.591 1.00 0.00 C ATOM 172 NZ LYS A 10 -0.138 22.259 -4.341 1.00 0.00 N ATOM 0 H LYS A 10 2.071 16.535 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 10 2.156 17.830 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.505 18.581 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.181 19.080 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.954 21.011 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.833 20.481 -3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.574 19.092 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.109 20.361 -2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.725 21.358 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.327 20.515 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.124 22.871 -5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.116 21.965 -4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.239 22.782 -3.525 1.00 0.00 H new ATOM 186 N GLN A 11 5.126 17.310 -2.581 1.00 0.00 N ATOM 187 CA GLN A 11 6.551 17.398 -2.881 1.00 0.00 C ATOM 188 C GLN A 11 6.852 16.789 -4.245 1.00 0.00 C ATOM 189 O GLN A 11 7.540 17.401 -5.070 1.00 0.00 O ATOM 190 CB GLN A 11 7.362 16.681 -1.799 1.00 0.00 C ATOM 191 CG GLN A 11 7.075 17.182 -0.394 1.00 0.00 C ATOM 192 CD GLN A 11 7.712 18.529 -0.109 1.00 0.00 C ATOM 193 OE1 GLN A 11 7.930 19.330 -1.016 1.00 0.00 O ATOM 194 NE2 GLN A 11 8.016 18.782 1.159 1.00 0.00 N ATOM 0 H GLN A 11 4.898 16.717 -1.783 1.00 0.00 H new ATOM 0 HA GLN A 11 6.834 18.451 -2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.150 15.613 -1.846 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.424 16.805 -2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.997 17.258 -0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.440 16.452 0.329 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.817 18.088 1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.448 19.670 1.412 1.00 0.00 H new ATOM 203 N ALA A 12 6.337 15.584 -4.482 1.00 0.00 N ATOM 204 CA ALA A 12 6.558 14.896 -5.749 1.00 0.00 C ATOM 205 C ALA A 12 5.878 13.532 -5.751 1.00 0.00 C ATOM 206 O ALA A 12 5.134 13.192 -4.826 1.00 0.00 O ATOM 207 CB ALA A 12 8.047 14.749 -6.026 1.00 0.00 C ATOM 0 H ALA A 12 5.766 15.066 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 12 6.117 15.498 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.191 14.233 -6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.507 15.736 -6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.511 14.172 -5.226 1.00 0.00 H new ATOM 213 N LYS A 13 6.134 12.747 -6.796 1.00 0.00 N ATOM 214 CA LYS A 13 5.546 11.413 -6.913 1.00 0.00 C ATOM 215 C LYS A 13 6.613 10.336 -6.757 1.00 0.00 C ATOM 216 O LYS A 13 7.479 10.173 -7.617 1.00 0.00 O ATOM 217 CB LYS A 13 4.847 11.262 -8.268 1.00 0.00 C ATOM 218 CG LYS A 13 3.356 11.559 -8.218 1.00 0.00 C ATOM 219 CD LYS A 13 2.747 11.581 -9.613 1.00 0.00 C ATOM 220 CE LYS A 13 2.229 12.959 -9.979 1.00 0.00 C ATOM 221 NZ LYS A 13 0.754 13.066 -9.814 1.00 0.00 N ATOM 0 H LYS A 13 6.742 13.010 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 13 4.813 11.292 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.319 11.931 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.995 10.246 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.853 10.805 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.191 12.521 -7.732 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.495 11.269 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.931 10.860 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.718 13.707 -9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.495 13.183 -11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.444 14.024 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.285 12.371 -10.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.501 12.879 -8.823 1.00 0.00 H new ATOM 235 N GLU A 14 6.552 9.606 -5.652 1.00 0.00 N ATOM 236 CA GLU A 14 7.516 8.545 -5.381 1.00 0.00 C ATOM 237 C GLU A 14 6.806 7.227 -5.097 1.00 0.00 C ATOM 238 O GLU A 14 5.718 7.208 -4.519 1.00 0.00 O ATOM 239 CB GLU A 14 8.411 8.916 -4.192 1.00 0.00 C ATOM 240 CG GLU A 14 8.677 10.409 -4.060 1.00 0.00 C ATOM 241 CD GLU A 14 9.306 10.772 -2.729 1.00 0.00 C ATOM 242 OE1 GLU A 14 9.970 9.901 -2.128 1.00 0.00 O ATOM 243 OE2 GLU A 14 9.124 11.921 -2.281 1.00 0.00 O ATOM 0 H GLU A 14 5.845 9.728 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 14 8.137 8.426 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.945 8.558 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.363 8.395 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.334 10.730 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.740 10.953 -4.176 1.00 0.00 H new ATOM 250 N GLU A 15 7.426 6.124 -5.506 1.00 0.00 N ATOM 251 CA GLU A 15 6.854 4.800 -5.295 1.00 0.00 C ATOM 252 C GLU A 15 7.952 3.761 -5.090 1.00 0.00 C ATOM 253 O GLU A 15 9.110 3.991 -5.434 1.00 0.00 O ATOM 254 CB GLU A 15 5.977 4.404 -6.486 1.00 0.00 C ATOM 255 CG GLU A 15 6.737 4.336 -7.803 1.00 0.00 C ATOM 256 CD GLU A 15 7.256 2.944 -8.104 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.440 1.997 -8.125 1.00 0.00 O ATOM 258 OE2 GLU A 15 8.478 2.802 -8.320 1.00 0.00 O ATOM 0 H GLU A 15 8.326 6.122 -5.986 1.00 0.00 H new ATOM 0 HA GLU A 15 6.239 4.836 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.524 3.433 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.163 5.122 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.083 4.659 -8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.574 5.033 -7.772 1.00 0.00 H new ATOM 265 N ALA A 16 7.579 2.618 -4.521 1.00 0.00 N ATOM 266 CA ALA A 16 8.535 1.546 -4.270 1.00 0.00 C ATOM 267 C ALA A 16 7.840 0.189 -4.217 1.00 0.00 C ATOM 268 O ALA A 16 6.616 0.104 -4.307 1.00 0.00 O ATOM 269 CB ALA A 16 9.287 1.806 -2.973 1.00 0.00 C ATOM 0 H ALA A 16 6.625 2.411 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 16 9.247 1.527 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.998 0.999 -2.796 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.823 2.752 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.579 1.854 -2.145 1.00 0.00 H new ATOM 275 N ILE A 17 8.631 -0.869 -4.070 1.00 0.00 N ATOM 276 CA ILE A 17 8.097 -2.224 -4.007 1.00 0.00 C ATOM 277 C ILE A 17 8.735 -3.009 -2.864 1.00 0.00 C ATOM 278 O ILE A 17 9.953 -2.989 -2.689 1.00 0.00 O ATOM 279 CB ILE A 17 8.322 -2.980 -5.332 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.704 -4.379 -5.272 1.00 0.00 C ATOM 281 CG2 ILE A 17 9.810 -3.065 -5.644 1.00 0.00 C ATOM 282 CD1 ILE A 17 6.201 -4.383 -5.437 1.00 0.00 C ATOM 0 H ILE A 17 9.646 -0.813 -3.992 1.00 0.00 H new ATOM 0 HA ILE A 17 7.025 -2.137 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 17 7.829 -2.427 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.149 -4.997 -6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.958 -4.839 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.955 -3.601 -6.582 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.221 -2.059 -5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.321 -3.595 -4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.832 -5.407 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.746 -3.792 -4.642 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.940 -3.953 -6.404 1.00 0.00 H new ATOM 294 N LYS A 18 7.905 -3.701 -2.091 1.00 0.00 N ATOM 295 CA LYS A 18 8.386 -4.494 -0.965 1.00 0.00 C ATOM 296 C LYS A 18 7.903 -5.938 -1.073 1.00 0.00 C ATOM 297 O LYS A 18 7.102 -6.270 -1.945 1.00 0.00 O ATOM 298 CB LYS A 18 7.912 -3.891 0.360 1.00 0.00 C ATOM 299 CG LYS A 18 7.933 -2.368 0.389 1.00 0.00 C ATOM 300 CD LYS A 18 9.302 -1.831 0.767 1.00 0.00 C ATOM 301 CE LYS A 18 10.097 -1.414 -0.461 1.00 0.00 C ATOM 302 NZ LYS A 18 10.912 -0.194 -0.208 1.00 0.00 N ATOM 0 H LYS A 18 6.894 -3.729 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 18 9.476 -4.484 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.897 -4.234 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.542 -4.268 1.165 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.648 -1.982 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.191 -2.008 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.187 -0.977 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.854 -2.593 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.752 -2.231 -0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.414 -1.229 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.438 0.057 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.286 0.593 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.582 -0.378 0.566 1.00 0.00 H new ATOM 316 N GLU A 19 8.397 -6.791 -0.179 1.00 0.00 N ATOM 317 CA GLU A 19 8.014 -8.200 -0.171 1.00 0.00 C ATOM 318 C GLU A 19 7.480 -8.610 1.198 1.00 0.00 C ATOM 319 O GLU A 19 8.089 -8.310 2.225 1.00 0.00 O ATOM 320 CB GLU A 19 9.209 -9.076 -0.553 1.00 0.00 C ATOM 321 CG GLU A 19 9.483 -9.114 -2.046 1.00 0.00 C ATOM 322 CD GLU A 19 10.842 -9.700 -2.375 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.826 -8.934 -2.419 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.920 -10.929 -2.591 1.00 0.00 O ATOM 0 H GLU A 19 9.063 -6.531 0.549 1.00 0.00 H new ATOM 0 HA GLU A 19 7.221 -8.341 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.097 -8.709 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.032 -10.092 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.709 -9.702 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.420 -8.103 -2.449 1.00 0.00 H new ATOM 331 N LEU A 20 6.341 -9.294 1.206 1.00 0.00 N ATOM 332 CA LEU A 20 5.729 -9.740 2.453 1.00 0.00 C ATOM 333 C LEU A 20 4.813 -10.941 2.213 1.00 0.00 C ATOM 334 O LEU A 20 4.846 -11.547 1.142 1.00 0.00 O ATOM 335 CB LEU A 20 4.955 -8.589 3.101 1.00 0.00 C ATOM 336 CG LEU A 20 5.709 -7.859 4.210 1.00 0.00 C ATOM 337 CD1 LEU A 20 5.201 -6.434 4.361 1.00 0.00 C ATOM 338 CD2 LEU A 20 5.586 -8.614 5.524 1.00 0.00 C ATOM 0 H LEU A 20 5.824 -9.551 0.365 1.00 0.00 H new ATOM 0 HA LEU A 20 6.521 -10.055 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.686 -7.869 2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.023 -8.980 3.510 1.00 0.00 H new ATOM 0 HG LEU A 20 6.763 -7.816 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.753 -5.933 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.346 -5.895 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.140 -6.450 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.129 -8.079 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.535 -8.691 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.005 -9.614 5.410 1.00 0.00 H new ATOM 350 N VAL A 21 4.005 -11.288 3.213 1.00 0.00 N ATOM 351 CA VAL A 21 3.098 -12.429 3.092 1.00 0.00 C ATOM 352 C VAL A 21 1.651 -11.988 2.876 1.00 0.00 C ATOM 353 O VAL A 21 1.050 -12.301 1.847 1.00 0.00 O ATOM 354 CB VAL A 21 3.162 -13.362 4.326 1.00 0.00 C ATOM 355 CG1 VAL A 21 4.111 -14.523 4.064 1.00 0.00 C ATOM 356 CG2 VAL A 21 3.583 -12.604 5.579 1.00 0.00 C ATOM 0 H VAL A 21 3.959 -10.801 4.108 1.00 0.00 H new ATOM 0 HA VAL A 21 3.437 -12.982 2.216 1.00 0.00 H new ATOM 0 HB VAL A 21 2.160 -13.756 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.145 -15.170 4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.759 -15.094 3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.110 -14.137 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.617 -13.290 6.425 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.570 -12.167 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.863 -11.811 5.784 1.00 0.00 H new ATOM 366 N ASP A 22 1.091 -11.268 3.844 1.00 0.00 N ATOM 367 CA ASP A 22 -0.290 -10.802 3.744 1.00 0.00 C ATOM 368 C ASP A 22 -0.351 -9.279 3.710 1.00 0.00 C ATOM 369 O ASP A 22 0.672 -8.602 3.813 1.00 0.00 O ATOM 370 CB ASP A 22 -1.113 -11.330 4.920 1.00 0.00 C ATOM 371 CG ASP A 22 -1.726 -12.687 4.631 1.00 0.00 C ATOM 372 OD1 ASP A 22 -0.961 -13.653 4.432 1.00 0.00 O ATOM 373 OD2 ASP A 22 -2.971 -12.780 4.608 1.00 0.00 O ATOM 0 H ASP A 22 1.569 -10.995 4.703 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.709 -11.184 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.477 -11.402 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.905 -10.619 5.155 1.00 0.00 H new ATOM 378 N ALA A 23 -1.561 -8.743 3.565 1.00 0.00 N ATOM 379 CA ALA A 23 -1.752 -7.300 3.516 1.00 0.00 C ATOM 380 C ALA A 23 -1.804 -6.708 4.914 1.00 0.00 C ATOM 381 O ALA A 23 -1.349 -5.588 5.136 1.00 0.00 O ATOM 382 CB ALA A 23 -3.013 -6.949 2.744 1.00 0.00 C ATOM 0 H ALA A 23 -2.420 -9.287 3.480 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.897 -6.868 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.136 -5.866 2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.933 -7.328 1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.876 -7.401 3.232 1.00 0.00 H new ATOM 388 N ALA A 24 -2.344 -7.463 5.866 1.00 0.00 N ATOM 389 CA ALA A 24 -2.426 -6.996 7.243 1.00 0.00 C ATOM 390 C ALA A 24 -1.057 -6.515 7.698 1.00 0.00 C ATOM 391 O ALA A 24 -0.907 -5.400 8.205 1.00 0.00 O ATOM 392 CB ALA A 24 -2.938 -8.103 8.153 1.00 0.00 C ATOM 0 H ALA A 24 -2.729 -8.395 5.709 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.130 -6.165 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.993 -7.736 9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.930 -8.413 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.258 -8.954 8.108 1.00 0.00 H new ATOM 398 N THR A 25 -0.054 -7.357 7.483 1.00 0.00 N ATOM 399 CA THR A 25 1.310 -7.014 7.842 1.00 0.00 C ATOM 400 C THR A 25 1.838 -5.950 6.894 1.00 0.00 C ATOM 401 O THR A 25 2.459 -4.980 7.325 1.00 0.00 O ATOM 402 CB THR A 25 2.210 -8.255 7.801 1.00 0.00 C ATOM 403 OG1 THR A 25 2.020 -9.049 8.960 1.00 0.00 O ATOM 404 CG2 THR A 25 3.688 -7.929 7.703 1.00 0.00 C ATOM 0 H THR A 25 -0.162 -8.280 7.062 1.00 0.00 H new ATOM 0 HA THR A 25 1.316 -6.623 8.859 1.00 0.00 H new ATOM 0 HB THR A 25 1.917 -8.792 6.899 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.601 -9.837 8.916 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.264 -8.854 7.678 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.876 -7.361 6.792 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.988 -7.338 8.568 1.00 0.00 H new ATOM 412 N ALA A 26 1.572 -6.127 5.602 1.00 0.00 N ATOM 413 CA ALA A 26 2.014 -5.160 4.612 1.00 0.00 C ATOM 414 C ALA A 26 1.583 -3.767 5.045 1.00 0.00 C ATOM 415 O ALA A 26 2.394 -2.855 5.155 1.00 0.00 O ATOM 416 CB ALA A 26 1.445 -5.498 3.241 1.00 0.00 C ATOM 0 H ALA A 26 1.058 -6.923 5.223 1.00 0.00 H new ATOM 0 HA ALA A 26 3.101 -5.192 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.788 -4.762 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.783 -6.490 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.356 -5.484 3.286 1.00 0.00 H new ATOM 422 N GLU A 27 0.295 -3.640 5.327 1.00 0.00 N ATOM 423 CA GLU A 27 -0.279 -2.389 5.789 1.00 0.00 C ATOM 424 C GLU A 27 0.511 -1.852 6.974 1.00 0.00 C ATOM 425 O GLU A 27 0.673 -0.643 7.128 1.00 0.00 O ATOM 426 CB GLU A 27 -1.733 -2.615 6.204 1.00 0.00 C ATOM 427 CG GLU A 27 -2.430 -1.358 6.703 1.00 0.00 C ATOM 428 CD GLU A 27 -2.659 -1.373 8.200 1.00 0.00 C ATOM 429 OE1 GLU A 27 -2.886 -2.468 8.755 1.00 0.00 O ATOM 430 OE2 GLU A 27 -2.611 -0.289 8.819 1.00 0.00 O ATOM 0 H GLU A 27 -0.379 -4.401 5.242 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.238 -1.662 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.286 -3.013 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.764 -3.372 6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.831 -0.486 6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.388 -1.252 6.194 1.00 0.00 H new ATOM 437 N LYS A 28 1.009 -2.759 7.806 1.00 0.00 N ATOM 438 CA LYS A 28 1.790 -2.370 8.971 1.00 0.00 C ATOM 439 C LYS A 28 3.117 -1.765 8.532 1.00 0.00 C ATOM 440 O LYS A 28 3.509 -0.688 8.985 1.00 0.00 O ATOM 441 CB LYS A 28 2.036 -3.577 9.880 1.00 0.00 C ATOM 442 CG LYS A 28 1.743 -3.304 11.344 1.00 0.00 C ATOM 443 CD LYS A 28 2.638 -2.206 11.897 1.00 0.00 C ATOM 444 CE LYS A 28 4.086 -2.658 11.983 1.00 0.00 C ATOM 445 NZ LYS A 28 4.766 -2.112 13.189 1.00 0.00 N ATOM 0 H LYS A 28 0.886 -3.765 7.695 1.00 0.00 H new ATOM 0 HA LYS A 28 1.228 -1.623 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.416 -4.408 9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.074 -3.892 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.698 -3.016 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.887 -4.217 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.568 -1.324 11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.288 -1.914 12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.126 -3.747 12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.620 -2.338 11.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.787 -2.035 13.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.382 -1.171 13.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.605 -2.748 13.996 1.00 0.00 H new ATOM 459 N TYR A 29 3.797 -2.465 7.632 1.00 0.00 N ATOM 460 CA TYR A 29 5.080 -2.008 7.112 1.00 0.00 C ATOM 461 C TYR A 29 4.889 -0.850 6.138 1.00 0.00 C ATOM 462 O TYR A 29 5.398 0.249 6.354 1.00 0.00 O ATOM 463 CB TYR A 29 5.797 -3.158 6.403 1.00 0.00 C ATOM 464 CG TYR A 29 7.133 -2.766 5.815 1.00 0.00 C ATOM 465 CD1 TYR A 29 7.203 -1.962 4.682 1.00 0.00 C ATOM 466 CD2 TYR A 29 8.324 -3.194 6.387 1.00 0.00 C ATOM 467 CE1 TYR A 29 8.416 -1.595 4.140 1.00 0.00 C ATOM 468 CE2 TYR A 29 9.544 -2.831 5.852 1.00 0.00 C ATOM 469 CZ TYR A 29 9.586 -2.033 4.729 1.00 0.00 C ATOM 470 OH TYR A 29 10.800 -1.668 4.192 1.00 0.00 O ATOM 0 H TYR A 29 3.480 -3.354 7.246 1.00 0.00 H new ATOM 0 HA TYR A 29 5.684 -1.663 7.951 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.946 -3.974 7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.157 -3.539 5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.290 -1.619 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.295 -3.822 7.265 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.451 -0.969 3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.461 -3.171 6.311 1.00 0.00 H new ATOM 0 HH TYR A 29 11.524 -2.058 4.725 1.00 0.00 H new ATOM 480 N PHE A 30 4.162 -1.117 5.060 1.00 0.00 N ATOM 481 CA PHE A 30 3.903 -0.122 4.029 1.00 0.00 C ATOM 482 C PHE A 30 3.412 1.198 4.625 1.00 0.00 C ATOM 483 O PHE A 30 3.889 2.268 4.248 1.00 0.00 O ATOM 484 CB PHE A 30 2.889 -0.670 3.013 1.00 0.00 C ATOM 485 CG PHE A 30 3.479 -1.031 1.666 1.00 0.00 C ATOM 486 CD1 PHE A 30 4.757 -0.621 1.302 1.00 0.00 C ATOM 487 CD2 PHE A 30 2.749 -1.789 0.762 1.00 0.00 C ATOM 488 CE1 PHE A 30 5.290 -0.958 0.075 1.00 0.00 C ATOM 489 CE2 PHE A 30 3.277 -2.127 -0.467 1.00 0.00 C ATOM 490 CZ PHE A 30 4.550 -1.713 -0.811 1.00 0.00 C ATOM 0 H PHE A 30 3.737 -2.026 4.877 1.00 0.00 H new ATOM 0 HA PHE A 30 4.843 0.085 3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.413 -1.555 3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.105 0.073 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.342 -0.029 1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.754 -2.119 1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.284 -0.631 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.695 -2.716 -1.161 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.965 -1.980 -1.772 1.00 0.00 H new ATOM 500 N LYS A 31 2.471 1.122 5.559 1.00 0.00 N ATOM 501 CA LYS A 31 1.946 2.327 6.193 1.00 0.00 C ATOM 502 C LYS A 31 3.029 3.006 7.021 1.00 0.00 C ATOM 503 O LYS A 31 3.055 4.233 7.144 1.00 0.00 O ATOM 504 CB LYS A 31 0.742 1.996 7.076 1.00 0.00 C ATOM 505 CG LYS A 31 0.014 3.224 7.595 1.00 0.00 C ATOM 506 CD LYS A 31 0.463 3.589 8.999 1.00 0.00 C ATOM 507 CE LYS A 31 -0.290 4.797 9.532 1.00 0.00 C ATOM 508 NZ LYS A 31 0.470 6.061 9.332 1.00 0.00 N ATOM 0 H LYS A 31 2.059 0.250 5.892 1.00 0.00 H new ATOM 0 HA LYS A 31 1.622 3.009 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.043 1.382 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.077 1.397 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.194 4.065 6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.060 3.039 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.306 2.740 9.664 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.533 3.799 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.256 4.872 9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.491 4.659 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.157 6.873 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.269 6.095 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.830 6.099 8.357 1.00 0.00 H new ATOM 522 N LEU A 32 3.929 2.204 7.585 1.00 0.00 N ATOM 523 CA LEU A 32 5.019 2.728 8.395 1.00 0.00 C ATOM 524 C LEU A 32 6.002 3.516 7.531 1.00 0.00 C ATOM 525 O LEU A 32 6.629 4.468 7.996 1.00 0.00 O ATOM 526 CB LEU A 32 5.743 1.586 9.113 1.00 0.00 C ATOM 527 CG LEU A 32 5.652 1.625 10.639 1.00 0.00 C ATOM 528 CD1 LEU A 32 4.672 0.578 11.139 1.00 0.00 C ATOM 529 CD2 LEU A 32 7.022 1.416 11.264 1.00 0.00 C ATOM 0 H LEU A 32 3.922 1.188 7.494 1.00 0.00 H new ATOM 0 HA LEU A 32 4.599 3.402 9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.333 0.639 8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.794 1.604 8.826 1.00 0.00 H new ATOM 0 HG LEU A 32 5.288 2.609 10.936 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.619 0.619 12.227 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.685 0.774 10.720 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.008 -0.412 10.829 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.935 1.447 12.350 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.417 0.447 10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.698 2.204 10.931 1.00 0.00 H new ATOM 541 N TYR A 33 6.130 3.112 6.270 1.00 0.00 N ATOM 542 CA TYR A 33 7.031 3.780 5.340 1.00 0.00 C ATOM 543 C TYR A 33 6.443 5.114 4.891 1.00 0.00 C ATOM 544 O TYR A 33 7.084 6.159 5.010 1.00 0.00 O ATOM 545 CB TYR A 33 7.294 2.877 4.127 1.00 0.00 C ATOM 546 CG TYR A 33 7.934 3.594 2.955 1.00 0.00 C ATOM 547 CD1 TYR A 33 7.177 4.387 2.100 1.00 0.00 C ATOM 548 CD2 TYR A 33 9.295 3.474 2.705 1.00 0.00 C ATOM 549 CE1 TYR A 33 7.760 5.041 1.032 1.00 0.00 C ATOM 550 CE2 TYR A 33 9.884 4.124 1.637 1.00 0.00 C ATOM 551 CZ TYR A 33 9.112 4.906 0.804 1.00 0.00 C ATOM 552 OH TYR A 33 9.695 5.555 -0.258 1.00 0.00 O ATOM 0 H TYR A 33 5.620 2.324 5.870 1.00 0.00 H new ATOM 0 HA TYR A 33 7.976 3.976 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.939 2.053 4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.351 2.439 3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.116 4.493 2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.903 2.863 3.356 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.159 5.656 0.379 1.00 0.00 H new ATOM 0 HE2 TYR A 33 10.944 4.020 1.456 1.00 0.00 H new ATOM 0 HH TYR A 33 10.654 5.356 -0.277 1.00 0.00 H new ATOM 562 N ALA A 34 5.223 5.066 4.373 1.00 0.00 N ATOM 563 CA ALA A 34 4.545 6.268 3.904 1.00 0.00 C ATOM 564 C ALA A 34 4.384 7.288 5.025 1.00 0.00 C ATOM 565 O ALA A 34 4.305 8.490 4.775 1.00 0.00 O ATOM 566 CB ALA A 34 3.190 5.908 3.316 1.00 0.00 C ATOM 0 H ALA A 34 4.682 4.208 4.267 1.00 0.00 H new ATOM 0 HA ALA A 34 5.161 6.722 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.692 6.813 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.327 5.225 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.578 5.427 4.079 1.00 0.00 H new ATOM 572 N ASN A 35 4.332 6.803 6.260 1.00 0.00 N ATOM 573 CA ASN A 35 4.179 7.676 7.419 1.00 0.00 C ATOM 574 C ASN A 35 5.508 8.324 7.797 1.00 0.00 C ATOM 575 O ASN A 35 5.537 9.426 8.346 1.00 0.00 O ATOM 576 CB ASN A 35 3.625 6.891 8.606 1.00 0.00 C ATOM 577 CG ASN A 35 3.087 7.794 9.697 1.00 0.00 C ATOM 578 OD1 ASN A 35 2.160 8.575 9.473 1.00 0.00 O ATOM 579 ND2 ASN A 35 3.665 7.695 10.888 1.00 0.00 N ATOM 0 H ASN A 35 4.393 5.810 6.485 1.00 0.00 H new ATOM 0 HA ASN A 35 3.476 8.465 7.154 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.830 6.230 8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.411 6.258 9.017 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.344 8.279 11.661 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.430 7.035 11.031 1.00 0.00 H new ATOM 586 N ALA A 36 6.606 7.634 7.505 1.00 0.00 N ATOM 587 CA ALA A 36 7.935 8.145 7.821 1.00 0.00 C ATOM 588 C ALA A 36 8.520 8.929 6.648 1.00 0.00 C ATOM 589 O ALA A 36 8.795 10.121 6.760 1.00 0.00 O ATOM 590 CB ALA A 36 8.859 7.002 8.208 1.00 0.00 C ATOM 0 H ALA A 36 6.602 6.721 7.051 1.00 0.00 H new ATOM 0 HA ALA A 36 7.843 8.827 8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.848 7.397 8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.457 6.489 9.082 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.935 6.299 7.378 1.00 0.00 H new ATOM 596 N LYS A 37 8.712 8.244 5.524 1.00 0.00 N ATOM 597 CA LYS A 37 9.268 8.874 4.333 1.00 0.00 C ATOM 598 C LYS A 37 8.354 9.982 3.817 1.00 0.00 C ATOM 599 O LYS A 37 8.764 11.138 3.711 1.00 0.00 O ATOM 600 CB LYS A 37 9.493 7.828 3.237 1.00 0.00 C ATOM 601 CG LYS A 37 10.930 7.345 3.142 1.00 0.00 C ATOM 602 CD LYS A 37 11.254 6.341 4.236 1.00 0.00 C ATOM 603 CE LYS A 37 12.352 5.382 3.802 1.00 0.00 C ATOM 604 NZ LYS A 37 13.644 6.083 3.574 1.00 0.00 N ATOM 0 H LYS A 37 8.491 7.254 5.414 1.00 0.00 H new ATOM 0 HA LYS A 37 10.225 9.321 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.843 6.973 3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.196 8.251 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.098 6.888 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.607 8.196 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.566 6.870 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.357 5.777 4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.485 4.614 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.049 4.873 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.374 5.390 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.533 6.775 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.930 6.575 4.444 1.00 0.00 H new ATOM 618 N THR A 38 7.116 9.621 3.497 1.00 0.00 N ATOM 619 CA THR A 38 6.146 10.585 2.989 1.00 0.00 C ATOM 620 C THR A 38 5.158 10.992 4.085 1.00 0.00 C ATOM 621 O THR A 38 5.469 10.904 5.273 1.00 0.00 O ATOM 622 CB THR A 38 5.401 9.996 1.788 1.00 0.00 C ATOM 623 OG1 THR A 38 6.123 8.915 1.228 1.00 0.00 O ATOM 624 CG2 THR A 38 5.151 11.003 0.686 1.00 0.00 C ATOM 0 H THR A 38 6.760 8.669 3.580 1.00 0.00 H new ATOM 0 HA THR A 38 6.681 11.479 2.668 1.00 0.00 H new ATOM 0 HB THR A 38 4.439 9.665 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.937 8.860 0.267 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.620 10.520 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.550 11.825 1.074 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.103 11.390 0.324 1.00 0.00 H new ATOM 632 N VAL A 39 3.963 11.432 3.687 1.00 0.00 N ATOM 633 CA VAL A 39 2.942 11.845 4.645 1.00 0.00 C ATOM 634 C VAL A 39 1.724 10.930 4.563 1.00 0.00 C ATOM 635 O VAL A 39 1.603 10.122 3.642 1.00 0.00 O ATOM 636 CB VAL A 39 2.496 13.303 4.405 1.00 0.00 C ATOM 637 CG1 VAL A 39 1.890 13.895 5.667 1.00 0.00 C ATOM 638 CG2 VAL A 39 3.663 14.155 3.925 1.00 0.00 C ATOM 0 H VAL A 39 3.681 11.511 2.710 1.00 0.00 H new ATOM 0 HA VAL A 39 3.387 11.774 5.638 1.00 0.00 H new ATOM 0 HB VAL A 39 1.733 13.298 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.583 14.923 5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.022 13.306 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.630 13.881 6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.324 15.178 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.452 14.149 4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.050 13.749 2.991 1.00 0.00 H new ATOM 648 N GLU A 40 0.825 11.055 5.534 1.00 0.00 N ATOM 649 CA GLU A 40 -0.381 10.235 5.567 1.00 0.00 C ATOM 650 C GLU A 40 -1.564 10.981 4.959 1.00 0.00 C ATOM 651 O GLU A 40 -2.102 11.902 5.563 1.00 0.00 O ATOM 652 CB GLU A 40 -0.705 9.832 7.008 1.00 0.00 C ATOM 653 CG GLU A 40 -1.939 8.952 7.131 1.00 0.00 C ATOM 654 CD GLU A 40 -2.207 8.521 8.559 1.00 0.00 C ATOM 655 OE1 GLU A 40 -1.233 8.375 9.328 1.00 0.00 O ATOM 656 OE2 GLU A 40 -3.390 8.331 8.910 1.00 0.00 O ATOM 0 H GLU A 40 0.908 11.715 6.307 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.198 9.338 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.151 9.305 7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.850 10.733 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.806 9.492 6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.814 8.068 6.506 1.00 0.00 H new ATOM 663 N GLY A 41 -1.958 10.574 3.754 1.00 0.00 N ATOM 664 CA GLY A 41 -3.069 11.215 3.081 1.00 0.00 C ATOM 665 C GLY A 41 -4.095 10.217 2.579 1.00 0.00 C ATOM 666 O GLY A 41 -4.573 9.376 3.342 1.00 0.00 O ATOM 0 H GLY A 41 -1.525 9.811 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.550 11.914 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.693 11.799 2.241 1.00 0.00 H new ATOM 670 N VAL A 42 -4.431 10.304 1.295 1.00 0.00 N ATOM 671 CA VAL A 42 -5.407 9.400 0.704 1.00 0.00 C ATOM 672 C VAL A 42 -4.919 7.970 0.788 1.00 0.00 C ATOM 673 O VAL A 42 -3.727 7.728 0.965 1.00 0.00 O ATOM 674 CB VAL A 42 -5.689 9.757 -0.771 1.00 0.00 C ATOM 675 CG1 VAL A 42 -6.820 8.902 -1.323 1.00 0.00 C ATOM 676 CG2 VAL A 42 -6.019 11.238 -0.910 1.00 0.00 C ATOM 0 H VAL A 42 -4.042 10.990 0.648 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.333 9.506 1.269 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.790 9.550 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.003 9.169 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.544 7.849 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.724 9.074 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.215 11.470 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.902 11.471 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.177 11.833 -0.558 1.00 0.00 H new ATOM 686 N TRP A 43 -5.839 7.022 0.674 1.00 0.00 N ATOM 687 CA TRP A 43 -5.486 5.612 0.755 1.00 0.00 C ATOM 688 C TRP A 43 -6.371 4.767 -0.157 1.00 0.00 C ATOM 689 O TRP A 43 -7.598 4.862 -0.115 1.00 0.00 O ATOM 690 CB TRP A 43 -5.609 5.133 2.199 1.00 0.00 C ATOM 691 CG TRP A 43 -4.374 5.375 3.011 1.00 0.00 C ATOM 692 CD1 TRP A 43 -4.128 6.429 3.843 1.00 0.00 C ATOM 693 CD2 TRP A 43 -3.214 4.544 3.064 1.00 0.00 C ATOM 694 NE1 TRP A 43 -2.884 6.301 4.411 1.00 0.00 N ATOM 695 CE2 TRP A 43 -2.301 5.149 3.944 1.00 0.00 C ATOM 696 CE3 TRP A 43 -2.865 3.346 2.444 1.00 0.00 C ATOM 697 CZ2 TRP A 43 -1.056 4.592 4.225 1.00 0.00 C ATOM 698 CZ3 TRP A 43 -1.628 2.792 2.721 1.00 0.00 C ATOM 699 CH2 TRP A 43 -0.736 3.414 3.605 1.00 0.00 C ATOM 0 H TRP A 43 -6.832 7.203 0.526 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.455 5.497 0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.451 5.639 2.672 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.835 4.067 2.203 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.812 7.244 4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.463 6.954 5.071 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.546 2.860 1.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.369 5.071 4.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.345 1.864 2.248 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.222 2.955 3.801 1.00 0.00 H new ATOM 710 N THR A 44 -5.735 3.937 -0.975 1.00 0.00 N ATOM 711 CA THR A 44 -6.455 3.066 -1.899 1.00 0.00 C ATOM 712 C THR A 44 -5.679 1.774 -2.134 1.00 0.00 C ATOM 713 O THR A 44 -4.568 1.793 -2.662 1.00 0.00 O ATOM 714 CB THR A 44 -6.695 3.781 -3.230 1.00 0.00 C ATOM 715 OG1 THR A 44 -6.618 5.185 -3.066 1.00 0.00 O ATOM 716 CG2 THR A 44 -8.042 3.464 -3.846 1.00 0.00 C ATOM 0 H THR A 44 -4.720 3.848 -1.018 1.00 0.00 H new ATOM 0 HA THR A 44 -7.418 2.819 -1.453 1.00 0.00 H new ATOM 0 HB THR A 44 -5.914 3.418 -3.898 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.773 5.624 -3.928 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.148 4.003 -4.787 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.114 2.392 -4.032 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.835 3.768 -3.163 1.00 0.00 H new ATOM 724 N TYR A 45 -6.270 0.652 -1.734 1.00 0.00 N ATOM 725 CA TYR A 45 -5.628 -0.648 -1.895 1.00 0.00 C ATOM 726 C TYR A 45 -6.013 -1.289 -3.224 1.00 0.00 C ATOM 727 O TYR A 45 -7.097 -1.041 -3.757 1.00 0.00 O ATOM 728 CB TYR A 45 -6.009 -1.574 -0.740 1.00 0.00 C ATOM 729 CG TYR A 45 -5.325 -2.921 -0.795 1.00 0.00 C ATOM 730 CD1 TYR A 45 -3.941 -3.020 -0.764 1.00 0.00 C ATOM 731 CD2 TYR A 45 -6.066 -4.095 -0.878 1.00 0.00 C ATOM 732 CE1 TYR A 45 -3.313 -4.250 -0.814 1.00 0.00 C ATOM 733 CE2 TYR A 45 -5.446 -5.329 -0.928 1.00 0.00 C ATOM 734 CZ TYR A 45 -4.069 -5.401 -0.895 1.00 0.00 C ATOM 735 OH TYR A 45 -3.447 -6.627 -0.945 1.00 0.00 O ATOM 0 H TYR A 45 -7.191 0.617 -1.297 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.549 -0.493 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.760 -1.087 0.203 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.089 -1.723 -0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.345 -2.121 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.144 -4.041 -0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.235 -4.310 -0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.036 -6.231 -0.993 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.123 -7.335 -0.999 1.00 0.00 H new ATOM 745 N LYS A 46 -5.117 -2.116 -3.753 1.00 0.00 N ATOM 746 CA LYS A 46 -5.357 -2.798 -5.020 1.00 0.00 C ATOM 747 C LYS A 46 -5.169 -4.305 -4.865 1.00 0.00 C ATOM 748 O LYS A 46 -4.092 -4.836 -5.136 1.00 0.00 O ATOM 749 CB LYS A 46 -4.416 -2.262 -6.100 1.00 0.00 C ATOM 750 CG LYS A 46 -4.989 -1.090 -6.878 1.00 0.00 C ATOM 751 CD LYS A 46 -4.871 0.208 -6.098 1.00 0.00 C ATOM 752 CE LYS A 46 -5.129 1.417 -6.983 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.528 1.910 -6.860 1.00 0.00 N ATOM 0 H LYS A 46 -4.217 -2.330 -3.323 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.387 -2.605 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.479 -1.955 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.178 -3.067 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.466 -0.993 -7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.037 -1.283 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.582 0.203 -5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.875 0.282 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.438 2.216 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.927 1.156 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.661 2.735 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.188 1.156 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.714 2.184 -5.874 1.00 0.00 H new ATOM 767 N ASP A 47 -6.223 -4.984 -4.429 1.00 0.00 N ATOM 768 CA ASP A 47 -6.175 -6.429 -4.235 1.00 0.00 C ATOM 769 C ASP A 47 -5.821 -7.150 -5.535 1.00 0.00 C ATOM 770 O ASP A 47 -5.371 -8.297 -5.514 1.00 0.00 O ATOM 771 CB ASP A 47 -7.522 -6.936 -3.708 1.00 0.00 C ATOM 772 CG ASP A 47 -7.368 -7.784 -2.460 1.00 0.00 C ATOM 773 OD1 ASP A 47 -6.486 -8.667 -2.447 1.00 0.00 O ATOM 774 OD2 ASP A 47 -8.134 -7.568 -1.497 1.00 0.00 O ATOM 0 H ASP A 47 -7.122 -4.558 -4.203 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.397 -6.644 -3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.168 -6.086 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.016 -7.521 -4.484 1.00 0.00 H new ATOM 779 N GLU A 48 -6.025 -6.473 -6.660 1.00 0.00 N ATOM 780 CA GLU A 48 -5.728 -7.054 -7.969 1.00 0.00 C ATOM 781 C GLU A 48 -4.302 -7.602 -8.012 1.00 0.00 C ATOM 782 O GLU A 48 -4.031 -8.588 -8.696 1.00 0.00 O ATOM 783 CB GLU A 48 -5.925 -6.007 -9.065 1.00 0.00 C ATOM 784 CG GLU A 48 -7.059 -6.340 -10.024 1.00 0.00 C ATOM 785 CD GLU A 48 -7.380 -5.198 -10.966 1.00 0.00 C ATOM 786 OE1 GLU A 48 -7.774 -4.118 -10.481 1.00 0.00 O ATOM 787 OE2 GLU A 48 -7.239 -5.383 -12.196 1.00 0.00 O ATOM 0 H GLU A 48 -6.394 -5.523 -6.694 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.416 -7.882 -8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.123 -5.040 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.999 -5.906 -9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.790 -7.222 -10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.951 -6.595 -9.452 1.00 0.00 H new ATOM 794 N THR A 49 -3.395 -6.959 -7.287 1.00 0.00 N ATOM 795 CA THR A 49 -2.001 -7.388 -7.261 1.00 0.00 C ATOM 796 C THR A 49 -1.321 -6.952 -5.963 1.00 0.00 C ATOM 797 O THR A 49 -0.100 -6.796 -5.918 1.00 0.00 O ATOM 798 CB THR A 49 -1.245 -6.821 -8.456 1.00 0.00 C ATOM 799 OG1 THR A 49 -2.077 -6.781 -9.603 1.00 0.00 O ATOM 800 CG2 THR A 49 -0.008 -7.620 -8.816 1.00 0.00 C ATOM 0 H THR A 49 -3.598 -6.142 -6.711 1.00 0.00 H new ATOM 0 HA THR A 49 -1.984 -8.477 -7.315 1.00 0.00 H new ATOM 0 HB THR A 49 -0.938 -5.820 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.574 -6.413 -10.359 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.483 -7.163 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.678 -7.631 -7.969 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.294 -8.642 -9.064 1.00 0.00 H new ATOM 808 N LYS A 50 -2.113 -6.761 -4.911 1.00 0.00 N ATOM 809 CA LYS A 50 -1.580 -6.346 -3.616 1.00 0.00 C ATOM 810 C LYS A 50 -0.712 -5.098 -3.751 1.00 0.00 C ATOM 811 O LYS A 50 0.516 -5.173 -3.697 1.00 0.00 O ATOM 812 CB LYS A 50 -0.768 -7.480 -2.991 1.00 0.00 C ATOM 813 CG LYS A 50 -1.621 -8.527 -2.295 1.00 0.00 C ATOM 814 CD LYS A 50 -1.054 -9.924 -2.483 1.00 0.00 C ATOM 815 CE LYS A 50 -1.120 -10.363 -3.937 1.00 0.00 C ATOM 816 NZ LYS A 50 -2.180 -11.385 -4.160 1.00 0.00 N ATOM 0 H LYS A 50 -3.125 -6.887 -4.930 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.423 -6.107 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.177 -7.964 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.066 -7.059 -2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.683 -8.299 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.637 -8.490 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.019 -9.946 -2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.609 -10.629 -1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.312 -9.496 -4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.154 -10.770 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.193 -11.658 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.983 -12.222 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.105 -10.989 -3.897 1.00 0.00 H new ATOM 830 N THR A 51 -1.360 -3.949 -3.929 1.00 0.00 N ATOM 831 CA THR A 51 -0.645 -2.688 -4.073 1.00 0.00 C ATOM 832 C THR A 51 -1.385 -1.557 -3.362 1.00 0.00 C ATOM 833 O THR A 51 -2.555 -1.293 -3.644 1.00 0.00 O ATOM 834 CB THR A 51 -0.464 -2.343 -5.553 1.00 0.00 C ATOM 835 OG1 THR A 51 0.227 -3.380 -6.225 1.00 0.00 O ATOM 836 CG2 THR A 51 0.297 -1.056 -5.780 1.00 0.00 C ATOM 0 H THR A 51 -2.376 -3.867 -3.977 1.00 0.00 H new ATOM 0 HA THR A 51 0.336 -2.803 -3.612 1.00 0.00 H new ATOM 0 HB THR A 51 -1.472 -2.220 -5.948 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.333 -3.144 -7.170 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.389 -0.872 -6.850 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.239 -0.229 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.290 -1.138 -5.339 1.00 0.00 H new ATOM 844 N PHE A 52 -0.694 -0.891 -2.443 1.00 0.00 N ATOM 845 CA PHE A 52 -1.285 0.212 -1.692 1.00 0.00 C ATOM 846 C PHE A 52 -1.048 1.541 -2.408 1.00 0.00 C ATOM 847 O PHE A 52 -0.033 1.716 -3.084 1.00 0.00 O ATOM 848 CB PHE A 52 -0.703 0.268 -0.280 1.00 0.00 C ATOM 849 CG PHE A 52 -1.189 -0.838 0.611 1.00 0.00 C ATOM 850 CD1 PHE A 52 -0.687 -2.124 0.480 1.00 0.00 C ATOM 851 CD2 PHE A 52 -2.143 -0.593 1.585 1.00 0.00 C ATOM 852 CE1 PHE A 52 -1.131 -3.143 1.301 1.00 0.00 C ATOM 853 CE2 PHE A 52 -2.590 -1.608 2.409 1.00 0.00 C ATOM 854 CZ PHE A 52 -2.083 -2.884 2.267 1.00 0.00 C ATOM 0 H PHE A 52 0.275 -1.095 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.359 0.040 -1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.384 0.223 -0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.958 1.227 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.060 -2.332 -0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.542 0.404 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.734 -4.141 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.335 -1.403 3.163 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.430 -3.679 2.911 1.00 0.00 H new ATOM 864 N THR A 53 -1.984 2.467 -2.250 1.00 0.00 N ATOM 865 CA THR A 53 -1.870 3.779 -2.881 1.00 0.00 C ATOM 866 C THR A 53 -2.266 4.887 -1.912 1.00 0.00 C ATOM 867 O THR A 53 -3.382 4.901 -1.392 1.00 0.00 O ATOM 868 CB THR A 53 -2.750 3.843 -4.133 1.00 0.00 C ATOM 869 OG1 THR A 53 -2.553 2.699 -4.943 1.00 0.00 O ATOM 870 CG2 THR A 53 -2.483 5.064 -4.986 1.00 0.00 C ATOM 0 H THR A 53 -2.828 2.337 -1.693 1.00 0.00 H new ATOM 0 HA THR A 53 -0.829 3.927 -3.167 1.00 0.00 H new ATOM 0 HB THR A 53 -3.775 3.893 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.546 2.963 -5.887 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.138 5.050 -5.857 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.674 5.964 -4.402 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.444 5.058 -5.314 1.00 0.00 H new ATOM 878 N VAL A 54 -1.344 5.816 -1.678 1.00 0.00 N ATOM 879 CA VAL A 54 -1.599 6.932 -0.770 1.00 0.00 C ATOM 880 C VAL A 54 -1.041 8.228 -1.345 1.00 0.00 C ATOM 881 O VAL A 54 -0.016 8.222 -2.021 1.00 0.00 O ATOM 882 CB VAL A 54 -0.982 6.674 0.623 1.00 0.00 C ATOM 883 CG1 VAL A 54 0.461 6.212 0.485 1.00 0.00 C ATOM 884 CG2 VAL A 54 -1.066 7.914 1.511 1.00 0.00 C ATOM 0 H VAL A 54 -0.416 5.819 -2.102 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.679 7.024 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.560 5.885 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.882 6.034 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.494 5.289 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.042 6.981 -0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.623 7.696 2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.525 8.735 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.110 8.196 1.644 1.00 0.00 H new ATOM 894 N THR A 55 -1.717 9.337 -1.080 1.00 0.00 N ATOM 895 CA THR A 55 -1.267 10.633 -1.584 1.00 0.00 C ATOM 896 C THR A 55 -1.479 11.726 -0.543 1.00 0.00 C ATOM 897 O THR A 55 -2.537 11.807 0.076 1.00 0.00 O ATOM 898 CB THR A 55 -2.005 10.992 -2.882 1.00 0.00 C ATOM 899 OG1 THR A 55 -3.145 11.781 -2.614 1.00 0.00 O ATOM 900 CG2 THR A 55 -2.465 9.782 -3.671 1.00 0.00 C ATOM 0 H THR A 55 -2.572 9.369 -0.524 1.00 0.00 H new ATOM 0 HA THR A 55 -0.200 10.559 -1.794 1.00 0.00 H new ATOM 0 HB THR A 55 -1.275 11.540 -3.478 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.598 11.998 -3.456 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.978 10.111 -4.575 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.601 9.176 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.147 9.188 -3.062 1.00 0.00 H new ATOM 908 N GLU A 56 -0.466 12.566 -0.358 1.00 0.00 N ATOM 909 CA GLU A 56 -0.546 13.659 0.606 1.00 0.00 C ATOM 910 C GLU A 56 -1.626 14.653 0.206 1.00 0.00 C ATOM 911 O GLU A 56 -1.305 15.619 -0.521 1.00 0.00 O ATOM 912 CB GLU A 56 0.803 14.371 0.718 1.00 0.00 C ATOM 913 CG GLU A 56 0.971 15.156 2.006 1.00 0.00 C ATOM 914 CD GLU A 56 0.613 16.616 1.844 1.00 0.00 C ATOM 915 OE1 GLU A 56 1.038 17.231 0.844 1.00 0.00 O ATOM 916 OE2 GLU A 56 -0.101 17.154 2.718 1.00 0.00 O ATOM 917 OXT GLU A 56 -2.788 14.465 0.624 1.00 0.00 O ATOM 0 H GLU A 56 0.419 12.512 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.805 13.236 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.601 13.632 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.918 15.048 -0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.344 14.715 2.781 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.003 15.074 2.346 1.00 0.00 H new