USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 522 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 2 THR OG1 : rot 160:sc= -0.0414 USER MOD Set 1.2: A 13 GLN : amide:sc= 0 X(o=-0.041,f=-0.39) USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.109 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -99:sc= 1.23 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -135:sc= -0.923 (180deg=-1.91) USER MOD Single : A 21 LYS NZ :NH3+ 139:sc= -1.22 (180deg=-2.72!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 52:sc= -5.18! USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0896 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0.447 (180deg=0.29) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc=-0.00848 USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0578 (180deg=-0.455) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= -0.333 (180deg=-0.744) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 57 MET CE :methyl 161:sc= -0.041 (180deg=-0.428) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -168:sc= -0.0131 (180deg=-0.289) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.692 1.641 9.540 1.00 0.00 N ATOM 2 CA ALA A 1 -0.268 2.347 8.679 1.00 0.00 C ATOM 3 C ALA A 1 -0.994 1.336 7.806 1.00 0.00 C ATOM 4 O ALA A 1 -0.497 0.245 7.528 1.00 0.00 O ATOM 5 CB ALA A 1 0.480 3.354 7.810 1.00 0.00 C ATOM 0 H1 ALA A 1 1.623 2.099 9.470 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.363 1.673 10.526 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.770 0.650 9.233 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.997 2.879 9.290 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.229 3.880 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.995 4.073 8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.208 2.830 7.191 1.00 0.00 H new ATOM 13 N THR A 2 -2.184 1.692 7.360 1.00 0.00 N ATOM 14 CA THR A 2 -2.923 0.760 6.513 1.00 0.00 C ATOM 15 C THR A 2 -3.975 1.523 5.723 1.00 0.00 C ATOM 16 O THR A 2 -4.379 2.628 6.081 1.00 0.00 O ATOM 17 CB THR A 2 -3.573 -0.316 7.379 1.00 0.00 C ATOM 18 OG1 THR A 2 -4.281 -1.221 6.546 1.00 0.00 O ATOM 19 CG2 THR A 2 -4.541 0.300 8.388 1.00 0.00 C ATOM 0 H THR A 2 -2.649 2.579 7.556 1.00 0.00 H new ATOM 0 HA THR A 2 -2.242 0.275 5.814 1.00 0.00 H new ATOM 0 HB THR A 2 -2.789 -0.838 7.927 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.424 -2.064 7.026 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.989 -0.490 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.001 0.989 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.325 0.840 7.857 1.00 0.00 H new ATOM 27 N VAL A 3 -4.420 0.929 4.630 1.00 0.00 N ATOM 28 CA VAL A 3 -5.423 1.603 3.809 1.00 0.00 C ATOM 29 C VAL A 3 -6.593 0.655 3.607 1.00 0.00 C ATOM 30 O VAL A 3 -6.428 -0.495 3.204 1.00 0.00 O ATOM 31 CB VAL A 3 -4.803 1.982 2.463 1.00 0.00 C ATOM 32 CG1 VAL A 3 -5.855 2.587 1.537 1.00 0.00 C ATOM 33 CG2 VAL A 3 -3.686 3.001 2.675 1.00 0.00 C ATOM 0 H VAL A 3 -4.119 0.014 4.294 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.772 2.512 4.298 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.401 1.078 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.394 2.850 0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.650 1.861 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.273 3.482 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.249 3.267 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.094 3.895 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.917 2.570 3.316 1.00 0.00 H new ATOM 43 N LYS A 4 -7.793 1.135 3.884 1.00 0.00 N ATOM 44 CA LYS A 4 -8.962 0.285 3.666 1.00 0.00 C ATOM 45 C LYS A 4 -9.889 0.978 2.681 1.00 0.00 C ATOM 46 O LYS A 4 -10.459 2.031 2.962 1.00 0.00 O ATOM 47 CB LYS A 4 -9.696 0.033 4.983 1.00 0.00 C ATOM 48 CG LYS A 4 -10.078 1.334 5.686 1.00 0.00 C ATOM 49 CD LYS A 4 -10.768 1.023 7.013 1.00 0.00 C ATOM 50 CE LYS A 4 -11.184 2.296 7.750 1.00 0.00 C ATOM 51 NZ LYS A 4 -11.848 1.937 9.012 1.00 0.00 N ATOM 0 H LYS A 4 -7.986 2.069 4.246 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.642 -0.677 3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.595 -0.552 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.064 -0.562 5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.188 1.938 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.741 1.921 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.647 0.406 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.096 0.441 7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.310 2.915 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.857 2.886 7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.131 2.803 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.691 1.363 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.192 1.391 9.606 1.00 0.00 H new ATOM 65 N PHE A 5 -10.042 0.386 1.510 1.00 0.00 N ATOM 66 CA PHE A 5 -10.921 0.997 0.517 1.00 0.00 C ATOM 67 C PHE A 5 -12.263 0.284 0.543 1.00 0.00 C ATOM 68 O PHE A 5 -12.344 -0.942 0.481 1.00 0.00 O ATOM 69 CB PHE A 5 -10.280 0.916 -0.870 1.00 0.00 C ATOM 70 CG PHE A 5 -10.035 -0.510 -1.312 1.00 0.00 C ATOM 71 CD1 PHE A 5 -8.899 -1.136 -0.974 1.00 0.00 C ATOM 72 CD2 PHE A 5 -10.940 -1.137 -2.077 1.00 0.00 C ATOM 73 CE1 PHE A 5 -8.676 -2.392 -1.385 1.00 0.00 C ATOM 74 CE2 PHE A 5 -10.717 -2.392 -2.489 1.00 0.00 C ATOM 75 CZ PHE A 5 -9.586 -3.020 -2.141 1.00 0.00 C ATOM 0 H PHE A 5 -9.591 -0.483 1.225 1.00 0.00 H new ATOM 0 HA PHE A 5 -11.075 2.050 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -10.926 1.412 -1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.334 1.458 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.162 -0.628 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -11.850 -0.630 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.763 -2.897 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -11.449 -2.897 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.408 -4.033 -2.470 1.00 0.00 H new ATOM 85 N LYS A 6 -13.333 1.052 0.643 1.00 0.00 N ATOM 86 CA LYS A 6 -14.651 0.421 0.685 1.00 0.00 C ATOM 87 C LYS A 6 -15.270 0.440 -0.705 1.00 0.00 C ATOM 88 O LYS A 6 -15.277 1.453 -1.402 1.00 0.00 O ATOM 89 CB LYS A 6 -15.559 1.103 1.716 1.00 0.00 C ATOM 90 CG LYS A 6 -16.145 2.447 1.268 1.00 0.00 C ATOM 91 CD LYS A 6 -15.108 3.548 1.038 1.00 0.00 C ATOM 92 CE LYS A 6 -14.319 3.856 2.308 1.00 0.00 C ATOM 93 NZ LYS A 6 -13.396 4.973 2.058 1.00 0.00 N ATOM 0 H LYS A 6 -13.327 2.071 0.695 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.538 -0.616 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.380 0.428 1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.991 1.258 2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.705 2.295 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.856 2.787 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.422 3.242 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.608 4.453 0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.001 4.110 3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.761 2.974 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.860 5.181 2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.737 4.715 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.938 5.815 1.776 1.00 0.00 H new ATOM 107 N TYR A 7 -15.793 -0.699 -1.120 1.00 0.00 N ATOM 108 CA TYR A 7 -16.421 -0.749 -2.439 1.00 0.00 C ATOM 109 C TYR A 7 -17.215 -2.046 -2.551 1.00 0.00 C ATOM 110 O TYR A 7 -16.634 -3.092 -2.837 1.00 0.00 O ATOM 111 CB TYR A 7 -15.332 -0.726 -3.509 1.00 0.00 C ATOM 112 CG TYR A 7 -15.947 -0.799 -4.887 1.00 0.00 C ATOM 113 CD1 TYR A 7 -16.709 0.208 -5.337 1.00 0.00 C ATOM 114 CD2 TYR A 7 -15.735 -1.873 -5.660 1.00 0.00 C ATOM 115 CE1 TYR A 7 -17.255 0.143 -6.558 1.00 0.00 C ATOM 116 CE2 TYR A 7 -16.282 -1.938 -6.883 1.00 0.00 C ATOM 117 CZ TYR A 7 -17.042 -0.930 -7.331 1.00 0.00 C ATOM 118 OH TYR A 7 -17.600 -0.998 -8.580 1.00 0.00 O ATOM 0 H TYR A 7 -15.801 -1.572 -0.593 1.00 0.00 H new ATOM 0 HA TYR A 7 -17.084 0.105 -2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -14.740 0.185 -3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -14.651 -1.565 -3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -16.883 1.073 -4.714 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -15.124 -2.686 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -17.867 0.956 -6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -16.110 -2.803 -7.506 1.00 0.00 H new ATOM 0 HH TYR A 7 -17.345 -1.842 -9.007 1.00 0.00 H new ATOM 128 N LYS A 8 -18.525 -2.064 -2.328 1.00 0.00 N ATOM 129 CA LYS A 8 -19.270 -0.852 -1.974 1.00 0.00 C ATOM 130 C LYS A 8 -18.886 -0.372 -0.580 1.00 0.00 C ATOM 131 O LYS A 8 -18.261 0.678 -0.438 1.00 0.00 O ATOM 132 CB LYS A 8 -20.767 -1.163 -2.003 1.00 0.00 C ATOM 133 CG LYS A 8 -21.230 -1.672 -3.369 1.00 0.00 C ATOM 134 CD LYS A 8 -21.074 -0.609 -4.455 1.00 0.00 C ATOM 135 CE LYS A 8 -21.625 -1.126 -5.781 1.00 0.00 C ATOM 136 NZ LYS A 8 -21.470 -0.095 -6.819 1.00 0.00 N ATOM 0 H LYS A 8 -19.098 -2.906 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.030 -0.068 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.995 -1.911 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.327 -0.265 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.654 -2.557 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -22.274 -1.978 -3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.601 0.300 -4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.022 -0.345 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.098 -2.034 -6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.677 -1.389 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.846 -0.451 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -21.992 0.760 -6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.462 0.136 -6.932 1.00 0.00 H new ATOM 150 N GLY A 9 -19.191 -1.114 0.475 1.00 0.00 N ATOM 151 CA GLY A 9 -20.045 -2.296 0.357 1.00 0.00 C ATOM 152 C GLY A 9 -19.624 -3.271 1.442 1.00 0.00 C ATOM 153 O GLY A 9 -20.382 -3.623 2.345 1.00 0.00 O ATOM 0 H GLY A 9 -18.863 -0.922 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -21.094 -2.024 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -19.939 -2.749 -0.629 1.00 0.00 H new ATOM 157 N GLU A 10 -18.372 -3.686 1.356 1.00 0.00 N ATOM 158 CA GLU A 10 -17.810 -4.521 2.415 1.00 0.00 C ATOM 159 C GLU A 10 -16.406 -4.007 2.690 1.00 0.00 C ATOM 160 O GLU A 10 -15.657 -3.665 1.776 1.00 0.00 O ATOM 161 CB GLU A 10 -17.748 -5.980 1.965 1.00 0.00 C ATOM 162 CG GLU A 10 -19.145 -6.558 1.753 1.00 0.00 C ATOM 163 CD GLU A 10 -19.063 -8.015 1.329 1.00 0.00 C ATOM 164 OE1 GLU A 10 -18.597 -8.850 2.133 1.00 0.00 O ATOM 165 OE2 GLU A 10 -19.464 -8.334 0.189 1.00 0.00 O ATOM 0 H GLU A 10 -17.736 -3.469 0.588 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.429 -4.473 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.178 -6.053 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -17.218 -6.571 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.723 -6.474 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.671 -5.981 0.992 1.00 0.00 H new ATOM 172 N GLU A 11 -16.038 -3.927 3.954 1.00 0.00 N ATOM 173 CA GLU A 11 -14.717 -3.389 4.265 1.00 0.00 C ATOM 174 C GLU A 11 -13.652 -4.374 3.806 1.00 0.00 C ATOM 175 O GLU A 11 -13.751 -5.580 4.029 1.00 0.00 O ATOM 176 CB GLU A 11 -14.626 -3.155 5.772 1.00 0.00 C ATOM 177 CG GLU A 11 -13.288 -2.527 6.155 1.00 0.00 C ATOM 178 CD GLU A 11 -13.225 -2.283 7.654 1.00 0.00 C ATOM 179 OE1 GLU A 11 -13.798 -1.277 8.125 1.00 0.00 O ATOM 180 OE2 GLU A 11 -12.602 -3.096 8.370 1.00 0.00 O ATOM 0 H GLU A 11 -16.602 -4.212 4.755 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.558 -2.443 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.440 -2.505 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.750 -4.102 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.472 -3.183 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.155 -1.586 5.621 1.00 0.00 H new ATOM 187 N LEU A 12 -12.622 -3.864 3.154 1.00 0.00 N ATOM 188 CA LEU A 12 -11.566 -4.758 2.690 1.00 0.00 C ATOM 189 C LEU A 12 -10.238 -4.035 2.860 1.00 0.00 C ATOM 190 O LEU A 12 -9.785 -3.299 1.984 1.00 0.00 O ATOM 191 CB LEU A 12 -11.855 -5.119 1.232 1.00 0.00 C ATOM 192 CG LEU A 12 -11.165 -6.408 0.778 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.744 -6.826 -0.570 1.00 0.00 C ATOM 194 CD2 LEU A 12 -9.655 -6.234 0.627 1.00 0.00 C ATOM 0 H LEU A 12 -12.491 -2.876 2.938 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.523 -5.686 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.932 -5.225 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.533 -4.298 0.591 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.341 -7.166 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.260 -7.744 -0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.816 -6.997 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.570 -6.037 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.211 -7.175 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.450 -5.462 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.225 -5.940 1.585 1.00 0.00 H new ATOM 206 N GLN A 13 -9.612 -4.228 4.006 1.00 0.00 N ATOM 207 CA GLN A 13 -8.372 -3.501 4.272 1.00 0.00 C ATOM 208 C GLN A 13 -7.177 -4.404 4.005 1.00 0.00 C ATOM 209 O GLN A 13 -7.106 -5.537 4.477 1.00 0.00 O ATOM 210 CB GLN A 13 -8.381 -3.052 5.733 1.00 0.00 C ATOM 211 CG GLN A 13 -7.132 -2.242 6.068 1.00 0.00 C ATOM 212 CD GLN A 13 -7.177 -1.769 7.512 1.00 0.00 C ATOM 213 OE1 GLN A 13 -7.485 -0.615 7.806 1.00 0.00 O ATOM 214 NE2 GLN A 13 -6.867 -2.663 8.432 1.00 0.00 N ATOM 0 H GLN A 13 -9.922 -4.857 4.747 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.297 -2.631 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.270 -2.452 5.926 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.438 -3.924 6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.242 -2.850 5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.058 -1.384 5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.616 -3.612 8.156 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.879 -2.405 9.419 1.00 0.00 H new ATOM 223 N VAL A 14 -6.219 -3.896 3.249 1.00 0.00 N ATOM 224 CA VAL A 14 -5.012 -4.682 3.003 1.00 0.00 C ATOM 225 C VAL A 14 -3.810 -3.858 3.442 1.00 0.00 C ATOM 226 O VAL A 14 -3.741 -2.652 3.215 1.00 0.00 O ATOM 227 CB VAL A 14 -4.912 -5.033 1.516 1.00 0.00 C ATOM 228 CG1 VAL A 14 -3.698 -5.925 1.269 1.00 0.00 C ATOM 229 CG2 VAL A 14 -6.163 -5.777 1.060 1.00 0.00 C ATOM 0 H VAL A 14 -6.244 -2.977 2.807 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.044 -5.614 3.567 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.813 -4.105 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.636 -6.169 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.793 -5.400 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.798 -6.843 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.076 -6.019 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.269 -6.697 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.039 -5.147 1.218 1.00 0.00 H new ATOM 239 N ASP A 15 -2.854 -4.501 4.087 1.00 0.00 N ATOM 240 CA ASP A 15 -1.689 -3.751 4.549 1.00 0.00 C ATOM 241 C ASP A 15 -0.908 -3.248 3.341 1.00 0.00 C ATOM 242 O ASP A 15 -1.044 -3.756 2.229 1.00 0.00 O ATOM 243 CB ASP A 15 -0.838 -4.665 5.430 1.00 0.00 C ATOM 244 CG ASP A 15 0.229 -3.881 6.178 1.00 0.00 C ATOM 245 OD1 ASP A 15 -0.075 -3.334 7.260 1.00 0.00 O ATOM 246 OD2 ASP A 15 1.377 -3.805 5.690 1.00 0.00 O ATOM 0 H ASP A 15 -2.852 -5.499 4.299 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.990 -2.885 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.478 -5.183 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.365 -5.429 4.813 1.00 0.00 H new ATOM 251 N ILE A 16 -0.098 -2.224 3.544 1.00 0.00 N ATOM 252 CA ILE A 16 0.595 -1.626 2.403 1.00 0.00 C ATOM 253 C ILE A 16 1.937 -2.302 2.172 1.00 0.00 C ATOM 254 O ILE A 16 2.665 -1.976 1.235 1.00 0.00 O ATOM 255 CB ILE A 16 0.807 -0.133 2.657 1.00 0.00 C ATOM 256 CG1 ILE A 16 1.612 0.088 3.941 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.554 0.553 2.743 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.958 1.563 4.138 1.00 0.00 C ATOM 0 H ILE A 16 0.096 -1.798 4.450 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.019 -1.764 1.513 1.00 0.00 H new ATOM 0 HB ILE A 16 1.377 0.299 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.040 -0.270 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.529 -0.500 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.414 1.619 2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.092 0.412 1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.129 0.119 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.529 1.683 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.552 1.913 3.294 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.040 2.147 4.202 1.00 0.00 H new ATOM 270 N SER A 17 2.296 -3.240 3.030 1.00 0.00 N ATOM 271 CA SER A 17 3.620 -3.840 2.894 1.00 0.00 C ATOM 272 C SER A 17 3.570 -5.029 1.944 1.00 0.00 C ATOM 273 O SER A 17 4.598 -5.574 1.547 1.00 0.00 O ATOM 274 CB SER A 17 4.109 -4.296 4.265 1.00 0.00 C ATOM 275 OG SER A 17 3.251 -5.310 4.767 1.00 0.00 O ATOM 0 H SER A 17 1.723 -3.594 3.796 1.00 0.00 H new ATOM 0 HA SER A 17 4.307 -3.098 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.129 -4.673 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.131 -3.451 4.953 1.00 0.00 H new ATOM 0 HG SER A 17 2.611 -4.915 5.395 1.00 0.00 H new ATOM 281 N LYS A 18 2.373 -5.448 1.575 1.00 0.00 N ATOM 282 CA LYS A 18 2.278 -6.607 0.688 1.00 0.00 C ATOM 283 C LYS A 18 2.207 -6.146 -0.760 1.00 0.00 C ATOM 284 O LYS A 18 2.160 -6.951 -1.688 1.00 0.00 O ATOM 285 CB LYS A 18 1.037 -7.425 1.042 1.00 0.00 C ATOM 286 CG LYS A 18 1.183 -8.045 2.432 1.00 0.00 C ATOM 287 CD LYS A 18 -0.006 -8.940 2.779 1.00 0.00 C ATOM 288 CE LYS A 18 -1.297 -8.135 2.917 1.00 0.00 C ATOM 289 NZ LYS A 18 -2.388 -9.023 3.345 1.00 0.00 N ATOM 0 H LYS A 18 1.486 -5.030 1.857 1.00 0.00 H new ATOM 0 HA LYS A 18 3.163 -7.231 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.153 -6.787 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.888 -8.210 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.103 -8.628 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.272 -7.253 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.130 -9.697 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.195 -9.468 3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.162 -7.333 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.548 -7.666 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.266 -8.474 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.523 -9.773 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.148 -9.451 4.262 1.00 0.00 H new ATOM 303 N ILE A 19 2.211 -4.844 -0.975 1.00 0.00 N ATOM 304 CA ILE A 19 2.216 -4.364 -2.355 1.00 0.00 C ATOM 305 C ILE A 19 3.636 -4.490 -2.884 1.00 0.00 C ATOM 306 O ILE A 19 4.597 -4.057 -2.249 1.00 0.00 O ATOM 307 CB ILE A 19 1.754 -2.908 -2.403 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.399 -2.770 -1.701 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.655 -2.470 -3.865 1.00 0.00 C ATOM 310 CD1 ILE A 19 -0.140 -1.340 -1.744 1.00 0.00 C ATOM 0 H ILE A 19 2.211 -4.124 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 19 1.534 -4.952 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 19 2.471 -2.270 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.320 -3.440 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.498 -3.087 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.326 -1.432 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.632 -2.563 -4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.937 -3.102 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.102 -1.298 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.564 -0.671 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.267 -1.030 -2.781 1.00 0.00 H new ATOM 322 N LYS A 20 3.790 -5.100 -4.045 1.00 0.00 N ATOM 323 CA LYS A 20 5.145 -5.295 -4.557 1.00 0.00 C ATOM 324 C LYS A 20 5.142 -5.235 -6.076 1.00 0.00 C ATOM 325 O LYS A 20 6.180 -5.356 -6.725 1.00 0.00 O ATOM 326 CB LYS A 20 5.659 -6.654 -4.092 1.00 0.00 C ATOM 327 CG LYS A 20 4.764 -7.767 -4.632 1.00 0.00 C ATOM 328 CD LYS A 20 5.269 -9.131 -4.168 1.00 0.00 C ATOM 329 CE LYS A 20 4.413 -10.251 -4.755 1.00 0.00 C ATOM 330 NZ LYS A 20 3.024 -10.120 -4.291 1.00 0.00 N ATOM 0 H LYS A 20 3.036 -5.456 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 20 5.795 -4.506 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.683 -6.801 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.680 -6.690 -3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.740 -7.616 -4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.745 -7.731 -5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.307 -9.263 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.247 -9.182 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.446 -10.212 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.814 -11.220 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.667 -11.051 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.988 -9.465 -3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.433 -9.751 -5.063 1.00 0.00 H new ATOM 344 N LYS A 21 3.973 -5.046 -6.659 1.00 0.00 N ATOM 345 CA LYS A 21 3.916 -4.977 -8.117 1.00 0.00 C ATOM 346 C LYS A 21 3.092 -3.767 -8.525 1.00 0.00 C ATOM 347 O LYS A 21 1.862 -3.784 -8.508 1.00 0.00 O ATOM 348 CB LYS A 21 3.284 -6.253 -8.668 1.00 0.00 C ATOM 349 CG LYS A 21 4.070 -7.505 -8.272 1.00 0.00 C ATOM 350 CD LYS A 21 5.522 -7.521 -8.763 1.00 0.00 C ATOM 351 CE LYS A 21 5.643 -7.588 -10.287 1.00 0.00 C ATOM 352 NZ LYS A 21 5.449 -6.266 -10.900 1.00 0.00 N ATOM 0 H LYS A 21 3.081 -4.941 -6.175 1.00 0.00 H new ATOM 0 HA LYS A 21 4.923 -4.882 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.261 -6.337 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.229 -6.189 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.065 -7.594 -7.186 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.556 -8.382 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.030 -6.626 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.037 -8.377 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.625 -7.976 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.904 -8.286 -10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.136 -6.136 -11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.484 -6.199 -11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.590 -5.527 -10.182 1.00 0.00 H new ATOM 366 N VAL A 22 3.778 -2.699 -8.894 1.00 0.00 N ATOM 367 CA VAL A 22 3.059 -1.496 -9.305 1.00 0.00 C ATOM 368 C VAL A 22 3.557 -1.068 -10.676 1.00 0.00 C ATOM 369 O VAL A 22 4.737 -1.187 -11.002 1.00 0.00 O ATOM 370 CB VAL A 22 3.293 -0.375 -8.289 1.00 0.00 C ATOM 371 CG1 VAL A 22 2.758 -0.776 -6.917 1.00 0.00 C ATOM 372 CG2 VAL A 22 4.781 -0.051 -8.165 1.00 0.00 C ATOM 0 H VAL A 22 4.796 -2.634 -8.920 1.00 0.00 H new ATOM 0 HA VAL A 22 1.990 -1.705 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 22 2.762 0.508 -8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.933 0.033 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.688 -0.972 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.270 -1.675 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.920 0.748 -7.437 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.321 -0.939 -7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.166 0.269 -9.133 1.00 0.00 H new ATOM 382 N TRP A 23 2.657 -0.553 -11.494 1.00 0.00 N ATOM 383 CA TRP A 23 3.094 -0.060 -12.797 1.00 0.00 C ATOM 384 C TRP A 23 2.188 1.085 -13.221 1.00 0.00 C ATOM 385 O TRP A 23 0.975 1.068 -13.015 1.00 0.00 O ATOM 386 CB TRP A 23 3.092 -1.199 -13.816 1.00 0.00 C ATOM 387 CG TRP A 23 1.727 -1.829 -13.966 1.00 0.00 C ATOM 388 CD1 TRP A 23 0.750 -1.490 -14.902 1.00 0.00 C ATOM 389 CD2 TRP A 23 1.230 -2.904 -13.276 1.00 0.00 C ATOM 390 NE1 TRP A 23 -0.353 -2.346 -14.789 1.00 0.00 N ATOM 391 CE2 TRP A 23 0.006 -3.208 -13.765 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.794 -3.612 -12.303 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -0.683 -4.240 -13.288 1.00 0.00 C ATOM 394 CZ3 TRP A 23 1.095 -4.649 -11.808 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.126 -4.961 -12.297 1.00 0.00 C ATOM 0 H TRP A 23 1.660 -0.465 -11.297 1.00 0.00 H new ATOM 0 HA TRP A 23 4.115 0.316 -12.736 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.423 -0.820 -14.783 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.810 -1.960 -13.509 1.00 0.00 H new ATOM 0 HD1 TRP A 23 0.832 -0.682 -15.613 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.216 -2.337 -15.332 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.775 -3.364 -11.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.657 -4.491 -13.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.515 -5.241 -11.008 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.664 -5.803 -11.886 1.00 0.00 H new ATOM 406 N ARG A 24 2.791 2.117 -13.785 1.00 0.00 N ATOM 407 CA ARG A 24 2.026 3.333 -14.052 1.00 0.00 C ATOM 408 C ARG A 24 1.488 3.304 -15.475 1.00 0.00 C ATOM 409 O ARG A 24 2.236 3.299 -16.451 1.00 0.00 O ATOM 410 CB ARG A 24 2.963 4.524 -13.822 1.00 0.00 C ATOM 411 CG ARG A 24 2.246 5.877 -13.765 1.00 0.00 C ATOM 412 CD ARG A 24 1.885 6.438 -15.141 1.00 0.00 C ATOM 413 NE ARG A 24 1.362 7.795 -14.992 1.00 0.00 N ATOM 414 CZ ARG A 24 1.012 8.469 -16.073 1.00 0.00 C ATOM 415 NH1 ARG A 24 1.120 7.914 -17.265 1.00 0.00 N ATOM 416 NH2 ARG A 24 0.555 9.702 -15.962 1.00 0.00 N ATOM 0 H ARG A 24 3.773 2.145 -14.061 1.00 0.00 H new ATOM 0 HA ARG A 24 1.165 3.415 -13.388 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.505 4.372 -12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.704 4.550 -14.621 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.336 5.772 -13.175 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.882 6.594 -13.245 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.764 6.444 -15.785 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.142 5.801 -15.622 1.00 0.00 H new ATOM 0 HE ARG A 24 1.269 8.215 -14.067 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.475 6.962 -17.354 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.849 8.437 -18.098 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.472 10.134 -15.042 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.285 10.223 -16.796 1.00 0.00 H new ATOM 430 N VAL A 25 0.173 3.325 -15.598 1.00 0.00 N ATOM 431 CA VAL A 25 -0.412 3.443 -16.932 1.00 0.00 C ATOM 432 C VAL A 25 -1.869 3.861 -16.785 1.00 0.00 C ATOM 433 O VAL A 25 -2.633 3.289 -16.010 1.00 0.00 O ATOM 434 CB VAL A 25 -0.272 2.120 -17.689 1.00 0.00 C ATOM 435 CG1 VAL A 25 -1.011 0.991 -16.974 1.00 0.00 C ATOM 436 CG2 VAL A 25 -0.819 2.265 -19.108 1.00 0.00 C ATOM 0 H VAL A 25 -0.492 3.265 -14.827 1.00 0.00 H new ATOM 0 HA VAL A 25 0.113 4.201 -17.514 1.00 0.00 H new ATOM 0 HB VAL A 25 0.788 1.870 -17.728 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.892 0.065 -17.537 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.599 0.863 -15.973 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.070 1.238 -16.901 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.714 1.318 -19.637 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.872 2.542 -19.065 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.261 3.039 -19.636 1.00 0.00 H new ATOM 446 N GLY A 26 -2.266 4.883 -17.522 1.00 0.00 N ATOM 447 CA GLY A 26 -3.652 5.329 -17.416 1.00 0.00 C ATOM 448 C GLY A 26 -3.780 6.406 -16.352 1.00 0.00 C ATOM 449 O GLY A 26 -2.793 6.951 -15.858 1.00 0.00 O ATOM 0 H GLY A 26 -1.681 5.404 -18.175 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.991 5.716 -18.377 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.295 4.485 -17.167 1.00 0.00 H new ATOM 453 N LYS A 27 -5.008 6.732 -15.991 1.00 0.00 N ATOM 454 CA LYS A 27 -5.199 7.807 -15.020 1.00 0.00 C ATOM 455 C LYS A 27 -5.127 7.266 -13.600 1.00 0.00 C ATOM 456 O LYS A 27 -5.024 8.020 -12.634 1.00 0.00 O ATOM 457 CB LYS A 27 -6.552 8.469 -15.265 1.00 0.00 C ATOM 458 CG LYS A 27 -7.681 7.444 -15.192 1.00 0.00 C ATOM 459 CD LYS A 27 -9.022 8.078 -15.556 1.00 0.00 C ATOM 460 CE LYS A 27 -9.484 9.067 -14.489 1.00 0.00 C ATOM 461 NZ LYS A 27 -10.801 9.609 -14.854 1.00 0.00 N ATOM 0 H LYS A 27 -5.861 6.291 -16.336 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.405 8.544 -15.141 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.718 9.252 -14.525 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.554 8.950 -16.243 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.470 6.617 -15.870 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.733 7.027 -14.186 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.935 8.590 -16.514 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.773 7.297 -15.679 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.540 8.572 -13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.761 9.877 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.113 10.282 -14.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.734 10.097 -15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.489 8.832 -14.925 1.00 0.00 H new ATOM 475 N MET A 28 -5.186 5.954 -13.453 1.00 0.00 N ATOM 476 CA MET A 28 -5.150 5.395 -12.102 1.00 0.00 C ATOM 477 C MET A 28 -3.979 4.432 -11.985 1.00 0.00 C ATOM 478 O MET A 28 -3.428 3.959 -12.978 1.00 0.00 O ATOM 479 CB MET A 28 -6.459 4.660 -11.819 1.00 0.00 C ATOM 480 CG MET A 28 -7.658 5.600 -11.923 1.00 0.00 C ATOM 481 SD MET A 28 -9.161 4.692 -11.522 1.00 0.00 S ATOM 482 CE MET A 28 -10.350 6.034 -11.681 1.00 0.00 C ATOM 0 H MET A 28 -5.256 5.276 -14.212 1.00 0.00 H new ATOM 0 HA MET A 28 -5.028 6.199 -11.376 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.577 3.838 -12.525 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.424 4.221 -10.822 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.535 6.442 -11.242 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.726 6.012 -12.930 1.00 0.00 H new ATOM 0 HE1 MET A 28 -11.351 5.660 -11.467 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.100 6.827 -10.976 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.319 6.429 -12.696 1.00 0.00 H new ATOM 492 N ILE A 29 -3.589 4.141 -10.757 1.00 0.00 N ATOM 493 CA ILE A 29 -2.455 3.240 -10.567 1.00 0.00 C ATOM 494 C ILE A 29 -2.976 1.859 -10.202 1.00 0.00 C ATOM 495 O ILE A 29 -3.818 1.701 -9.318 1.00 0.00 O ATOM 496 CB ILE A 29 -1.573 3.777 -9.438 1.00 0.00 C ATOM 497 CG1 ILE A 29 -1.147 5.225 -9.698 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.344 2.888 -9.265 1.00 0.00 C ATOM 499 CD1 ILE A 29 -0.384 5.398 -11.010 1.00 0.00 C ATOM 0 H ILE A 29 -4.018 4.497 -9.903 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.869 3.176 -11.484 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.159 3.763 -8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.032 5.861 -9.713 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.522 5.567 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.277 3.279 -8.459 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.660 1.874 -9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.230 2.876 -10.192 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.110 6.445 -11.136 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.518 4.787 -10.989 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.015 5.085 -11.842 1.00 0.00 H new ATOM 511 N SER A 30 -2.470 0.842 -10.876 1.00 0.00 N ATOM 512 CA SER A 30 -2.902 -0.513 -10.543 1.00 0.00 C ATOM 513 C SER A 30 -1.831 -1.179 -9.692 1.00 0.00 C ATOM 514 O SER A 30 -0.695 -0.718 -9.611 1.00 0.00 O ATOM 515 CB SER A 30 -3.117 -1.297 -11.834 1.00 0.00 C ATOM 516 OG SER A 30 -4.107 -0.655 -12.623 1.00 0.00 O ATOM 0 H SER A 30 -1.786 0.915 -11.629 1.00 0.00 H new ATOM 0 HA SER A 30 -3.837 -0.487 -9.983 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.182 -1.364 -12.390 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.426 -2.317 -11.605 1.00 0.00 H new ATOM 0 HG SER A 30 -4.242 -1.159 -13.452 1.00 0.00 H new ATOM 522 N PHE A 31 -2.184 -2.277 -9.048 1.00 0.00 N ATOM 523 CA PHE A 31 -1.188 -2.952 -8.218 1.00 0.00 C ATOM 524 C PHE A 31 -1.667 -4.356 -7.884 1.00 0.00 C ATOM 525 O PHE A 31 -2.828 -4.710 -8.085 1.00 0.00 O ATOM 526 CB PHE A 31 -0.930 -2.145 -6.944 1.00 0.00 C ATOM 527 CG PHE A 31 -2.174 -1.996 -6.093 1.00 0.00 C ATOM 528 CD1 PHE A 31 -3.024 -0.985 -6.316 1.00 0.00 C ATOM 529 CD2 PHE A 31 -2.404 -2.850 -5.086 1.00 0.00 C ATOM 530 CE1 PHE A 31 -4.112 -0.838 -5.547 1.00 0.00 C ATOM 531 CE2 PHE A 31 -3.491 -2.701 -4.314 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.347 -1.696 -4.544 1.00 0.00 C ATOM 0 H PHE A 31 -3.107 -2.709 -9.075 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.249 -3.027 -8.767 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.150 -2.633 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.556 -1.157 -7.212 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.832 -0.287 -7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.714 -3.659 -4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.800 -0.027 -5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.677 -3.393 -3.505 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.223 -1.578 -3.924 1.00 0.00 H new ATOM 542 N THR A 32 -0.758 -5.171 -7.378 1.00 0.00 N ATOM 543 CA THR A 32 -1.128 -6.550 -7.066 1.00 0.00 C ATOM 544 C THR A 32 -0.802 -6.837 -5.610 1.00 0.00 C ATOM 545 O THR A 32 0.262 -7.352 -5.272 1.00 0.00 O ATOM 546 CB THR A 32 -0.348 -7.505 -7.967 1.00 0.00 C ATOM 547 OG1 THR A 32 1.044 -7.294 -7.780 1.00 0.00 O ATOM 548 CG2 THR A 32 -0.702 -7.266 -9.432 1.00 0.00 C ATOM 0 H THR A 32 0.210 -4.920 -7.178 1.00 0.00 H new ATOM 0 HA THR A 32 -2.196 -6.691 -7.235 1.00 0.00 H new ATOM 0 HB THR A 32 -0.609 -8.530 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.256 -7.336 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.137 -7.955 -10.060 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.769 -7.432 -9.580 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.453 -6.240 -9.704 1.00 0.00 H new ATOM 556 N TYR A 33 -1.732 -6.518 -4.729 1.00 0.00 N ATOM 557 CA TYR A 33 -1.502 -6.847 -3.325 1.00 0.00 C ATOM 558 C TYR A 33 -1.579 -8.358 -3.176 1.00 0.00 C ATOM 559 O TYR A 33 -2.346 -9.032 -3.861 1.00 0.00 O ATOM 560 CB TYR A 33 -2.543 -6.157 -2.444 1.00 0.00 C ATOM 561 CG TYR A 33 -3.943 -6.654 -2.732 1.00 0.00 C ATOM 562 CD1 TYR A 33 -4.653 -6.130 -3.740 1.00 0.00 C ATOM 563 CD2 TYR A 33 -4.484 -7.607 -1.959 1.00 0.00 C ATOM 564 CE1 TYR A 33 -5.898 -6.563 -3.981 1.00 0.00 C ATOM 565 CE2 TYR A 33 -5.730 -8.038 -2.199 1.00 0.00 C ATOM 566 CZ TYR A 33 -6.437 -7.517 -3.209 1.00 0.00 C ATOM 567 OH TYR A 33 -7.712 -7.957 -3.453 1.00 0.00 O ATOM 0 H TYR A 33 -2.615 -6.053 -4.940 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.520 -6.497 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.304 -6.332 -1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.499 -5.080 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.221 -5.358 -4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.915 -8.027 -1.143 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.467 -6.143 -4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.164 -8.807 -1.577 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.949 -8.651 -2.803 1.00 0.00 H new ATOM 577 N ASP A 34 -0.767 -8.909 -2.294 1.00 0.00 N ATOM 578 CA ASP A 34 -0.727 -10.365 -2.199 1.00 0.00 C ATOM 579 C ASP A 34 -1.730 -10.859 -1.170 1.00 0.00 C ATOM 580 O ASP A 34 -1.654 -10.548 0.018 1.00 0.00 O ATOM 581 CB ASP A 34 0.683 -10.802 -1.811 1.00 0.00 C ATOM 582 CG ASP A 34 0.766 -12.316 -1.716 1.00 0.00 C ATOM 583 OD1 ASP A 34 0.868 -12.981 -2.769 1.00 0.00 O ATOM 584 OD2 ASP A 34 0.729 -12.851 -0.586 1.00 0.00 O ATOM 0 H ASP A 34 -0.151 -8.403 -1.658 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.991 -10.796 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.398 -10.439 -2.549 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.958 -10.357 -0.855 1.00 0.00 H new ATOM 589 N GLU A 35 -2.676 -11.656 -1.629 1.00 0.00 N ATOM 590 CA GLU A 35 -3.644 -12.222 -0.697 1.00 0.00 C ATOM 591 C GLU A 35 -4.359 -13.366 -1.400 1.00 0.00 C ATOM 592 O GLU A 35 -5.490 -13.237 -1.865 1.00 0.00 O ATOM 593 CB GLU A 35 -4.633 -11.135 -0.283 1.00 0.00 C ATOM 594 CG GLU A 35 -5.653 -11.661 0.723 1.00 0.00 C ATOM 595 CD GLU A 35 -4.971 -12.128 1.999 1.00 0.00 C ATOM 596 OE1 GLU A 35 -4.459 -13.239 2.127 1.00 0.00 O ATOM 597 OE2 GLU A 35 -4.998 -11.167 2.975 1.00 0.00 O ATOM 0 H GLU A 35 -2.798 -11.922 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.153 -12.598 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.091 -10.295 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.151 -10.758 -1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.374 -10.878 0.958 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.211 -12.487 0.282 1.00 0.00 H new ATOM 605 N GLY A 36 -3.692 -14.500 -1.504 1.00 0.00 N ATOM 606 CA GLY A 36 -4.314 -15.614 -2.214 1.00 0.00 C ATOM 607 C GLY A 36 -3.392 -16.822 -2.217 1.00 0.00 C ATOM 608 O GLY A 36 -3.804 -17.952 -1.956 1.00 0.00 O ATOM 0 H GLY A 36 -2.761 -14.677 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.261 -15.872 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.541 -15.319 -3.239 1.00 0.00 H new ATOM 612 N GLY A 37 -2.129 -16.600 -2.528 1.00 0.00 N ATOM 613 CA GLY A 37 -1.215 -17.737 -2.598 1.00 0.00 C ATOM 614 C GLY A 37 -1.518 -18.555 -3.843 1.00 0.00 C ATOM 615 O GLY A 37 -1.481 -19.784 -3.838 1.00 0.00 O ATOM 0 H GLY A 37 -1.720 -15.688 -2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.183 -17.387 -2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.320 -18.357 -1.708 1.00 0.00 H new ATOM 619 N GLY A 38 -1.834 -17.867 -4.925 1.00 0.00 N ATOM 620 CA GLY A 38 -2.176 -18.588 -6.149 1.00 0.00 C ATOM 621 C GLY A 38 -3.109 -17.729 -6.986 1.00 0.00 C ATOM 622 O GLY A 38 -3.328 -17.967 -8.173 1.00 0.00 O ATOM 0 H GLY A 38 -1.863 -16.849 -4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.273 -18.822 -6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.655 -19.537 -5.906 1.00 0.00 H new ATOM 626 N LYS A 39 -3.666 -16.707 -6.361 1.00 0.00 N ATOM 627 CA LYS A 39 -4.559 -15.823 -7.105 1.00 0.00 C ATOM 628 C LYS A 39 -4.628 -14.477 -6.397 1.00 0.00 C ATOM 629 O LYS A 39 -5.631 -14.105 -5.790 1.00 0.00 O ATOM 630 CB LYS A 39 -5.939 -16.471 -7.277 1.00 0.00 C ATOM 631 CG LYS A 39 -6.382 -17.355 -6.106 1.00 0.00 C ATOM 632 CD LYS A 39 -6.621 -16.573 -4.815 1.00 0.00 C ATOM 633 CE LYS A 39 -7.190 -17.484 -3.730 1.00 0.00 C ATOM 634 NZ LYS A 39 -6.242 -18.565 -3.427 1.00 0.00 N ATOM 0 H LYS A 39 -3.527 -16.470 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.171 -15.656 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.679 -15.684 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.932 -17.072 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.298 -17.878 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.622 -18.116 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.685 -16.132 -4.472 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.310 -15.750 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.393 -16.905 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.140 -17.905 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.567 -19.087 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.185 -19.214 -4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.302 -18.160 -3.241 1.00 0.00 H new ATOM 648 N THR A 40 -3.543 -13.728 -6.481 1.00 0.00 N ATOM 649 CA THR A 40 -3.521 -12.430 -5.809 1.00 0.00 C ATOM 650 C THR A 40 -4.631 -11.549 -6.356 1.00 0.00 C ATOM 651 O THR A 40 -5.174 -11.782 -7.436 1.00 0.00 O ATOM 652 CB THR A 40 -2.177 -11.737 -6.025 1.00 0.00 C ATOM 653 OG1 THR A 40 -1.944 -11.579 -7.416 1.00 0.00 O ATOM 654 CG2 THR A 40 -1.035 -12.542 -5.409 1.00 0.00 C ATOM 0 H THR A 40 -2.693 -13.978 -6.986 1.00 0.00 H new ATOM 0 HA THR A 40 -3.670 -12.592 -4.741 1.00 0.00 H new ATOM 0 HB THR A 40 -2.213 -10.763 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.083 -11.133 -7.555 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.091 -12.024 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.202 -12.649 -4.337 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.995 -13.529 -5.870 1.00 0.00 H new ATOM 662 N GLY A 41 -4.978 -10.521 -5.604 1.00 0.00 N ATOM 663 CA GLY A 41 -6.057 -9.648 -6.057 1.00 0.00 C ATOM 664 C GLY A 41 -5.485 -8.424 -6.751 1.00 0.00 C ATOM 665 O GLY A 41 -4.291 -8.139 -6.683 1.00 0.00 O ATOM 0 H GLY A 41 -4.552 -10.272 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.711 -10.190 -6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.667 -9.341 -5.208 1.00 0.00 H new ATOM 669 N ARG A 42 -6.346 -7.686 -7.429 1.00 0.00 N ATOM 670 CA ARG A 42 -5.869 -6.491 -8.120 1.00 0.00 C ATOM 671 C ARG A 42 -6.780 -5.324 -7.774 1.00 0.00 C ATOM 672 O ARG A 42 -7.997 -5.465 -7.664 1.00 0.00 O ATOM 673 CB ARG A 42 -5.890 -6.742 -9.626 1.00 0.00 C ATOM 674 CG ARG A 42 -5.016 -7.942 -9.987 1.00 0.00 C ATOM 675 CD ARG A 42 -5.064 -8.213 -11.489 1.00 0.00 C ATOM 676 NE ARG A 42 -4.536 -7.065 -12.222 1.00 0.00 N ATOM 677 CZ ARG A 42 -4.503 -7.110 -13.541 1.00 0.00 C ATOM 678 NH1 ARG A 42 -4.940 -8.180 -14.179 1.00 0.00 N ATOM 679 NH2 ARG A 42 -4.032 -6.083 -14.224 1.00 0.00 N ATOM 0 H ARG A 42 -7.344 -7.878 -7.518 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.850 -6.258 -7.810 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.914 -6.919 -9.956 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.535 -5.856 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.987 -7.755 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.356 -8.823 -9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.482 -9.104 -11.725 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.090 -8.411 -11.798 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.198 -6.242 -11.723 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.304 -8.974 -13.653 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.913 -8.212 -15.198 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.694 -5.256 -13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.006 -6.117 -15.243 1.00 0.00 H new ATOM 693 N GLY A 43 -6.192 -4.155 -7.599 1.00 0.00 N ATOM 694 CA GLY A 43 -7.014 -2.993 -7.268 1.00 0.00 C ATOM 695 C GLY A 43 -6.470 -1.762 -7.971 1.00 0.00 C ATOM 696 O GLY A 43 -5.457 -1.809 -8.668 1.00 0.00 O ATOM 0 H GLY A 43 -5.190 -3.981 -7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.047 -3.169 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.019 -2.835 -6.190 1.00 0.00 H new ATOM 700 N ALA A 44 -7.141 -0.638 -7.796 1.00 0.00 N ATOM 701 CA ALA A 44 -6.658 0.575 -8.450 1.00 0.00 C ATOM 702 C ALA A 44 -7.243 1.788 -7.747 1.00 0.00 C ATOM 703 O ALA A 44 -8.389 1.791 -7.301 1.00 0.00 O ATOM 704 CB ALA A 44 -7.081 0.561 -9.917 1.00 0.00 C ATOM 0 H ALA A 44 -7.986 -0.534 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.570 0.620 -8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.722 1.465 -10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.655 -0.313 -10.410 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.168 0.520 -9.982 1.00 0.00 H new ATOM 710 N VAL A 45 -6.451 2.839 -7.640 1.00 0.00 N ATOM 711 CA VAL A 45 -6.960 4.038 -6.982 1.00 0.00 C ATOM 712 C VAL A 45 -6.079 5.211 -7.383 1.00 0.00 C ATOM 713 O VAL A 45 -4.854 5.113 -7.434 1.00 0.00 O ATOM 714 CB VAL A 45 -6.971 3.818 -5.468 1.00 0.00 C ATOM 715 CG1 VAL A 45 -5.562 3.568 -4.938 1.00 0.00 C ATOM 716 CG2 VAL A 45 -7.576 5.029 -4.762 1.00 0.00 C ATOM 0 H VAL A 45 -5.492 2.894 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.984 4.254 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.580 2.937 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.601 3.415 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.146 2.681 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.932 4.429 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.578 4.859 -3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.984 5.916 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.599 5.178 -5.107 1.00 0.00 H new ATOM 726 N SER A 46 -6.700 6.332 -7.700 1.00 0.00 N ATOM 727 CA SER A 46 -5.904 7.473 -8.145 1.00 0.00 C ATOM 728 C SER A 46 -5.053 7.982 -6.994 1.00 0.00 C ATOM 729 O SER A 46 -5.353 7.771 -5.820 1.00 0.00 O ATOM 730 CB SER A 46 -6.838 8.575 -8.637 1.00 0.00 C ATOM 731 OG SER A 46 -6.075 9.686 -9.083 1.00 0.00 O ATOM 0 H SER A 46 -7.708 6.481 -7.663 1.00 0.00 H new ATOM 0 HA SER A 46 -5.247 7.169 -8.960 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.462 8.201 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.509 8.881 -7.835 1.00 0.00 H new ATOM 0 HG SER A 46 -6.678 10.391 -9.400 1.00 0.00 H new ATOM 737 N GLU A 47 -3.973 8.666 -7.330 1.00 0.00 N ATOM 738 CA GLU A 47 -3.095 9.173 -6.277 1.00 0.00 C ATOM 739 C GLU A 47 -3.508 10.585 -5.887 1.00 0.00 C ATOM 740 O GLU A 47 -2.793 11.292 -5.181 1.00 0.00 O ATOM 741 CB GLU A 47 -1.655 9.192 -6.784 1.00 0.00 C ATOM 742 CG GLU A 47 -1.169 7.782 -7.111 1.00 0.00 C ATOM 743 CD GLU A 47 0.279 7.815 -7.568 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.610 8.624 -8.462 1.00 0.00 O ATOM 745 OE2 GLU A 47 1.097 7.032 -7.038 1.00 0.00 O ATOM 0 H GLU A 47 -3.685 8.880 -8.285 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.173 8.523 -5.405 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.587 9.819 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.006 9.638 -6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.265 7.144 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.794 7.347 -7.891 1.00 0.00 H new ATOM 752 N LYS A 48 -4.674 11.014 -6.337 1.00 0.00 N ATOM 753 CA LYS A 48 -5.113 12.360 -5.974 1.00 0.00 C ATOM 754 C LYS A 48 -5.580 12.368 -4.527 1.00 0.00 C ATOM 755 O LYS A 48 -5.535 13.389 -3.842 1.00 0.00 O ATOM 756 CB LYS A 48 -6.250 12.786 -6.899 1.00 0.00 C ATOM 757 CG LYS A 48 -6.767 14.171 -6.512 1.00 0.00 C ATOM 758 CD LYS A 48 -7.954 14.593 -7.380 1.00 0.00 C ATOM 759 CE LYS A 48 -7.563 14.771 -8.847 1.00 0.00 C ATOM 760 NZ LYS A 48 -6.511 15.791 -8.970 1.00 0.00 N ATOM 0 H LYS A 48 -5.313 10.482 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.285 13.061 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.901 12.797 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.062 12.060 -6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.065 14.169 -5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.964 14.901 -6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.742 13.843 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.366 15.528 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.211 13.824 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.435 15.065 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.465 16.125 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.728 16.591 -8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.595 15.379 -8.701 1.00 0.00 H new ATOM 774 N ASP A 49 -6.031 11.223 -4.045 1.00 0.00 N ATOM 775 CA ASP A 49 -6.464 11.162 -2.651 1.00 0.00 C ATOM 776 C ASP A 49 -5.893 9.905 -2.013 1.00 0.00 C ATOM 777 O ASP A 49 -6.604 8.944 -1.725 1.00 0.00 O ATOM 778 CB ASP A 49 -7.989 11.142 -2.598 1.00 0.00 C ATOM 779 CG ASP A 49 -8.478 11.118 -1.158 1.00 0.00 C ATOM 780 OD1 ASP A 49 -8.486 12.185 -0.507 1.00 0.00 O ATOM 781 OD2 ASP A 49 -8.855 10.032 -0.669 1.00 0.00 O ATOM 0 H ASP A 49 -6.108 10.352 -4.570 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.106 12.034 -2.104 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.387 12.020 -3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.365 10.267 -3.129 1.00 0.00 H new ATOM 786 N ALA A 50 -4.591 9.907 -1.788 1.00 0.00 N ATOM 787 CA ALA A 50 -3.978 8.738 -1.161 1.00 0.00 C ATOM 788 C ALA A 50 -2.990 9.225 -0.105 1.00 0.00 C ATOM 789 O ALA A 50 -2.469 10.334 -0.214 1.00 0.00 O ATOM 790 CB ALA A 50 -3.258 7.929 -2.236 1.00 0.00 C ATOM 0 H ALA A 50 -3.954 10.670 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.729 8.106 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.795 7.052 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.975 7.610 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.489 8.546 -2.701 1.00 0.00 H new ATOM 796 N PRO A 51 -2.701 8.441 0.926 1.00 0.00 N ATOM 797 CA PRO A 51 -1.796 8.881 1.983 1.00 0.00 C ATOM 798 C PRO A 51 -0.433 9.282 1.436 1.00 0.00 C ATOM 799 O PRO A 51 -0.012 8.859 0.362 1.00 0.00 O ATOM 800 CB PRO A 51 -1.709 7.633 2.860 1.00 0.00 C ATOM 801 CG PRO A 51 -3.024 6.894 2.621 1.00 0.00 C ATOM 802 CD PRO A 51 -3.344 7.149 1.150 1.00 0.00 C ATOM 0 HA PRO A 51 -2.141 9.769 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.853 7.016 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.589 7.896 3.911 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.923 5.828 2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.815 7.270 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.938 6.372 0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.418 7.189 0.966 1.00 0.00 H new ATOM 810 N LYS A 52 0.267 10.121 2.178 1.00 0.00 N ATOM 811 CA LYS A 52 1.544 10.622 1.673 1.00 0.00 C ATOM 812 C LYS A 52 2.607 9.537 1.763 1.00 0.00 C ATOM 813 O LYS A 52 3.583 9.524 1.016 1.00 0.00 O ATOM 814 CB LYS A 52 1.949 11.830 2.519 1.00 0.00 C ATOM 815 CG LYS A 52 3.187 12.547 1.979 1.00 0.00 C ATOM 816 CD LYS A 52 2.828 13.819 1.208 1.00 0.00 C ATOM 817 CE LYS A 52 2.055 13.537 -0.078 1.00 0.00 C ATOM 818 NZ LYS A 52 2.863 12.702 -0.976 1.00 0.00 N ATOM 0 H LYS A 52 -0.008 10.463 3.099 1.00 0.00 H new ATOM 0 HA LYS A 52 1.446 10.912 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.117 12.533 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.141 11.503 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.848 12.801 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.740 11.872 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.233 14.470 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.742 14.361 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.117 13.033 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.799 14.475 -0.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.416 12.668 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.817 13.107 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.929 11.739 -0.589 1.00 0.00 H new ATOM 832 N GLU A 53 2.433 8.619 2.698 1.00 0.00 N ATOM 833 CA GLU A 53 3.471 7.612 2.909 1.00 0.00 C ATOM 834 C GLU A 53 3.634 6.717 1.688 1.00 0.00 C ATOM 835 O GLU A 53 4.733 6.264 1.373 1.00 0.00 O ATOM 836 CB GLU A 53 3.103 6.760 4.121 1.00 0.00 C ATOM 837 CG GLU A 53 3.010 7.614 5.383 1.00 0.00 C ATOM 838 CD GLU A 53 2.685 6.748 6.589 1.00 0.00 C ATOM 839 OE1 GLU A 53 3.531 5.913 6.976 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.582 6.899 7.158 1.00 0.00 O ATOM 0 H GLU A 53 1.617 8.545 3.305 1.00 0.00 H new ATOM 0 HA GLU A 53 4.418 8.124 3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.150 6.262 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.850 5.979 4.261 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.953 8.136 5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.241 8.376 5.257 1.00 0.00 H new ATOM 847 N LEU A 54 2.551 6.431 0.989 1.00 0.00 N ATOM 848 CA LEU A 54 2.682 5.525 -0.151 1.00 0.00 C ATOM 849 C LEU A 54 3.377 6.259 -1.289 1.00 0.00 C ATOM 850 O LEU A 54 4.133 5.675 -2.064 1.00 0.00 O ATOM 851 CB LEU A 54 1.322 5.018 -0.641 1.00 0.00 C ATOM 852 CG LEU A 54 0.703 3.942 0.256 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.100 4.534 1.527 1.00 0.00 C ATOM 854 CD2 LEU A 54 -0.408 3.245 -0.524 1.00 0.00 C ATOM 0 H LEU A 54 1.613 6.788 1.171 1.00 0.00 H new ATOM 0 HA LEU A 54 3.265 4.662 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.634 5.861 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.436 4.617 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 54 1.491 3.247 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.328 3.735 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.878 5.044 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.681 5.246 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.862 2.474 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.166 3.975 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.009 2.787 -1.421 1.00 0.00 H new ATOM 866 N LEU A 55 3.116 7.547 -1.419 1.00 0.00 N ATOM 867 CA LEU A 55 3.685 8.262 -2.560 1.00 0.00 C ATOM 868 C LEU A 55 5.152 8.558 -2.300 1.00 0.00 C ATOM 869 O LEU A 55 5.976 8.585 -3.213 1.00 0.00 O ATOM 870 CB LEU A 55 2.921 9.568 -2.772 1.00 0.00 C ATOM 871 CG LEU A 55 1.429 9.338 -3.009 1.00 0.00 C ATOM 872 CD1 LEU A 55 0.723 10.688 -3.090 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.190 8.572 -4.309 1.00 0.00 C ATOM 0 H LEU A 55 2.542 8.103 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 55 3.601 7.645 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.053 10.209 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.344 10.099 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 55 1.034 8.748 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.342 10.532 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.866 11.230 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.140 11.268 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.120 8.423 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.592 9.142 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.688 7.604 -4.257 1.00 0.00 H new ATOM 885 N GLN A 56 5.498 8.788 -1.048 1.00 0.00 N ATOM 886 CA GLN A 56 6.888 9.131 -0.754 1.00 0.00 C ATOM 887 C GLN A 56 7.731 7.865 -0.705 1.00 0.00 C ATOM 888 O GLN A 56 8.957 7.901 -0.801 1.00 0.00 O ATOM 889 CB GLN A 56 6.934 9.867 0.585 1.00 0.00 C ATOM 890 CG GLN A 56 8.350 10.335 0.912 1.00 0.00 C ATOM 891 CD GLN A 56 8.366 11.110 2.219 1.00 0.00 C ATOM 892 OE1 GLN A 56 7.695 10.759 3.188 1.00 0.00 O ATOM 893 NE2 GLN A 56 9.139 12.179 2.258 1.00 0.00 N ATOM 0 H GLN A 56 4.871 8.748 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 56 7.293 9.776 -1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.263 10.725 0.554 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.574 9.210 1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.016 9.475 0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.727 10.963 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.684 12.445 1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.192 12.740 3.109 1.00 0.00 H new ATOM 902 N MET A 57 7.086 6.724 -0.548 1.00 0.00 N ATOM 903 CA MET A 57 7.859 5.491 -0.440 1.00 0.00 C ATOM 904 C MET A 57 8.283 5.018 -1.822 1.00 0.00 C ATOM 905 O MET A 57 9.323 4.382 -1.987 1.00 0.00 O ATOM 906 CB MET A 57 7.003 4.428 0.248 1.00 0.00 C ATOM 907 CG MET A 57 7.770 3.113 0.388 1.00 0.00 C ATOM 908 SD MET A 57 9.291 3.383 1.316 1.00 0.00 S ATOM 909 CE MET A 57 8.598 3.658 2.955 1.00 0.00 C ATOM 0 H MET A 57 6.073 6.619 -0.494 1.00 0.00 H new ATOM 0 HA MET A 57 8.758 5.670 0.150 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.699 4.782 1.233 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.092 4.262 -0.326 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.151 2.374 0.896 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.002 2.711 -0.598 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.372 3.508 3.707 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.218 4.677 3.023 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.783 2.955 3.128 1.00 0.00 H new ATOM 919 N LEU A 58 7.475 5.302 -2.827 1.00 0.00 N ATOM 920 CA LEU A 58 7.778 4.750 -4.146 1.00 0.00 C ATOM 921 C LEU A 58 8.303 5.832 -5.080 1.00 0.00 C ATOM 922 O LEU A 58 9.079 5.559 -5.994 1.00 0.00 O ATOM 923 CB LEU A 58 6.513 4.124 -4.735 1.00 0.00 C ATOM 924 CG LEU A 58 5.944 3.018 -3.844 1.00 0.00 C ATOM 925 CD1 LEU A 58 4.623 2.535 -4.435 1.00 0.00 C ATOM 926 CD2 LEU A 58 6.908 1.837 -3.753 1.00 0.00 C ATOM 0 H LEU A 58 6.639 5.884 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 58 8.551 3.989 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.759 4.898 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.737 3.715 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 58 5.793 3.422 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.210 1.746 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.920 3.367 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.794 2.147 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.479 1.065 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.079 1.429 -4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.855 2.172 -3.331 1.00 0.00 H new ATOM 938 N GLU A 59 7.886 7.069 -4.879 1.00 0.00 N ATOM 939 CA GLU A 59 8.333 8.115 -5.797 1.00 0.00 C ATOM 940 C GLU A 59 9.584 8.781 -5.245 1.00 0.00 C ATOM 941 O GLU A 59 9.564 9.932 -4.813 1.00 0.00 O ATOM 942 CB GLU A 59 7.231 9.156 -5.978 1.00 0.00 C ATOM 943 CG GLU A 59 5.952 8.522 -6.522 1.00 0.00 C ATOM 944 CD GLU A 59 4.894 9.585 -6.764 1.00 0.00 C ATOM 945 OE1 GLU A 59 5.218 10.629 -7.371 1.00 0.00 O ATOM 946 OE2 GLU A 59 3.732 9.383 -6.349 1.00 0.00 O ATOM 0 H GLU A 59 7.267 7.371 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 59 8.560 7.667 -6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.023 9.638 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.572 9.935 -6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.167 7.996 -7.452 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.577 7.781 -5.816 1.00 0.00 H new ATOM 953 N LYS A 60 10.693 8.064 -5.271 1.00 0.00 N ATOM 954 CA LYS A 60 11.941 8.683 -4.829 1.00 0.00 C ATOM 955 C LYS A 60 12.637 9.286 -6.039 1.00 0.00 C ATOM 956 O LYS A 60 12.695 8.689 -7.111 1.00 0.00 O ATOM 957 CB LYS A 60 12.839 7.634 -4.175 1.00 0.00 C ATOM 958 CG LYS A 60 12.212 7.111 -2.883 1.00 0.00 C ATOM 959 CD LYS A 60 13.141 6.133 -2.165 1.00 0.00 C ATOM 960 CE LYS A 60 13.344 4.850 -2.969 1.00 0.00 C ATOM 961 NZ LYS A 60 14.183 3.917 -2.204 1.00 0.00 N ATOM 0 H LYS A 60 10.763 7.094 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 60 11.732 9.463 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.002 6.807 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.816 8.068 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.984 7.948 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.267 6.617 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.106 6.609 -1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.725 5.888 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.380 4.391 -3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.815 5.079 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.320 3.044 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.107 4.356 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.717 3.690 -1.303 1.00 0.00 H new ATOM 975 N GLN A 61 13.165 10.486 -5.873 1.00 0.00 N ATOM 976 CA GLN A 61 13.833 11.127 -7.004 1.00 0.00 C ATOM 977 C GLN A 61 15.270 11.437 -6.610 1.00 0.00 C ATOM 978 O GLN A 61 15.962 10.621 -6.005 1.00 0.00 O ATOM 979 CB GLN A 61 13.085 12.407 -7.378 1.00 0.00 C ATOM 980 CG GLN A 61 11.642 12.102 -7.775 1.00 0.00 C ATOM 981 CD GLN A 61 10.919 13.379 -8.171 1.00 0.00 C ATOM 982 OE1 GLN A 61 10.418 14.126 -7.333 1.00 0.00 O ATOM 983 NE2 GLN A 61 10.859 13.643 -9.464 1.00 0.00 N ATOM 0 H GLN A 61 13.150 11.023 -5.006 1.00 0.00 H new ATOM 0 HA GLN A 61 13.835 10.465 -7.870 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.096 13.098 -6.535 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.596 12.903 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.628 11.396 -8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 61 11.123 11.626 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.284 13.004 -10.135 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.387 14.486 -9.791 1.00 0.00 H new ATOM 992 N LYS A 62 15.738 12.624 -6.952 1.00 0.00 N ATOM 993 CA LYS A 62 17.114 12.963 -6.602 1.00 0.00 C ATOM 994 C LYS A 62 17.197 13.302 -5.123 1.00 0.00 C ATOM 995 O LYS A 62 16.150 13.618 -4.519 1.00 0.00 O ATOM 996 CB LYS A 62 17.627 14.124 -7.462 1.00 0.00 C ATOM 997 CG LYS A 62 17.126 15.507 -7.023 1.00 0.00 C ATOM 998 CD LYS A 62 15.615 15.704 -7.155 1.00 0.00 C ATOM 999 CE LYS A 62 15.136 15.532 -8.597 1.00 0.00 C ATOM 1000 NZ LYS A 62 15.817 16.494 -9.474 1.00 0.00 N ATOM 1001 OXT LYS A 62 18.309 13.251 -4.556 1.00 0.00 O ATOM 0 H LYS A 62 15.216 13.345 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 62 17.751 12.101 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 62 18.717 14.122 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.328 13.954 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.412 15.670 -5.984 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.632 16.268 -7.616 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.099 14.989 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.347 16.700 -6.801 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.335 14.515 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.057 15.680 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.346 16.512 -10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.777 17.442 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.810 16.210 -9.595 1.00 0.00 H new TER 1015 LYS A 62