USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 398 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 Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0902) USER MOD Single : A 21 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.8!) USER MOD Single : A 23 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -84:sc= -3.63 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.27 K(o=-0.27,f=-3.5!) USER MOD Single : A 35 SER OG : rot 41:sc= 1.31 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -6.73! C(o=-6.7!,f=-3.3!) USER MOD Single : A 44 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.12) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.332 K(o=-0.33,f=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 21:sc= 0.532! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 16 -22.226 8.680 -10.847 1.00 0.00 N ATOM 2 CA ALA A 16 -20.840 8.880 -11.342 1.00 0.00 C ATOM 3 C ALA A 16 -19.861 7.968 -10.611 1.00 0.00 C ATOM 4 O ALA A 16 -19.767 7.998 -9.384 1.00 0.00 O ATOM 5 CB ALA A 16 -20.427 10.335 -11.179 1.00 0.00 C ATOM 0 HA ALA A 16 -20.817 8.623 -12.401 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.409 10.468 -11.546 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -21.104 10.971 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.472 10.610 -10.125 1.00 0.00 H new ATOM 13 N LYS A 17 -19.133 7.157 -11.373 1.00 0.00 N ATOM 14 CA LYS A 17 -18.162 6.236 -10.797 1.00 0.00 C ATOM 15 C LYS A 17 -16.762 6.841 -10.811 1.00 0.00 C ATOM 16 O LYS A 17 -16.288 7.310 -11.846 1.00 0.00 O ATOM 17 CB LYS A 17 -18.166 4.912 -11.564 1.00 0.00 C ATOM 18 CG LYS A 17 -19.385 4.050 -11.284 1.00 0.00 C ATOM 19 CD LYS A 17 -19.448 2.852 -12.218 1.00 0.00 C ATOM 20 CE LYS A 17 -20.426 3.083 -13.358 1.00 0.00 C ATOM 21 NZ LYS A 17 -19.804 3.836 -14.481 1.00 0.00 N ATOM 0 H LYS A 17 -19.198 7.120 -12.390 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.447 6.049 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -18.117 5.121 -12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -17.268 4.350 -11.307 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.358 3.705 -10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.289 4.649 -11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.456 2.653 -12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.746 1.967 -11.656 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.791 2.123 -13.723 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -21.291 3.633 -12.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.457 3.855 -15.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -19.602 4.810 -14.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -18.918 3.370 -14.763 1.00 0.00 H new ATOM 35 N ARG A 18 -16.104 6.827 -9.656 1.00 0.00 N ATOM 36 CA ARG A 18 -14.758 7.375 -9.536 1.00 0.00 C ATOM 37 C ARG A 18 -13.724 6.400 -10.090 1.00 0.00 C ATOM 38 O ARG A 18 -12.892 6.767 -10.920 1.00 0.00 O ATOM 39 CB ARG A 18 -14.443 7.693 -8.074 1.00 0.00 C ATOM 40 CG ARG A 18 -15.538 8.480 -7.373 1.00 0.00 C ATOM 41 CD ARG A 18 -15.808 9.802 -8.071 1.00 0.00 C ATOM 42 NE ARG A 18 -16.860 10.568 -7.405 1.00 0.00 N ATOM 43 CZ ARG A 18 -17.202 11.809 -7.744 1.00 0.00 C ATOM 44 NH1 ARG A 18 -16.579 12.428 -8.739 1.00 0.00 N ATOM 45 NH2 ARG A 18 -18.170 12.432 -7.087 1.00 0.00 N ATOM 0 H ARG A 18 -16.481 6.442 -8.790 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.713 8.295 -10.118 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.276 6.760 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.513 8.259 -8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.453 7.888 -7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.249 8.666 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.892 10.392 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.096 9.614 -9.105 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.362 10.125 -6.635 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.834 11.953 -9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.845 13.379 -8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -18.653 11.961 -6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.432 13.383 -7.346 1.00 0.00 H new ATOM 59 N GLU A 19 -13.781 5.156 -9.626 1.00 0.00 N ATOM 60 CA GLU A 19 -12.850 4.128 -10.074 1.00 0.00 C ATOM 61 C GLU A 19 -11.414 4.502 -9.721 1.00 0.00 C ATOM 62 O GLU A 19 -10.643 4.927 -10.581 1.00 0.00 O ATOM 63 CB GLU A 19 -12.979 3.916 -11.584 1.00 0.00 C ATOM 64 CG GLU A 19 -12.680 2.493 -12.026 1.00 0.00 C ATOM 65 CD GLU A 19 -13.542 2.053 -13.193 1.00 0.00 C ATOM 66 OE1 GLU A 19 -14.733 1.752 -12.972 1.00 0.00 O ATOM 67 OE2 GLU A 19 -13.024 2.010 -14.330 1.00 0.00 O ATOM 0 H GLU A 19 -14.463 4.836 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.100 3.199 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.990 4.179 -11.894 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.301 4.597 -12.097 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.629 2.416 -12.306 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.837 1.815 -11.187 1.00 0.00 H new ATOM 74 N PHE A 20 -11.061 4.340 -8.450 1.00 0.00 N ATOM 75 CA PHE A 20 -9.717 4.660 -7.983 1.00 0.00 C ATOM 76 C PHE A 20 -8.784 3.467 -8.155 1.00 0.00 C ATOM 77 O PHE A 20 -9.174 2.432 -8.695 1.00 0.00 O ATOM 78 CB PHE A 20 -9.753 5.080 -6.512 1.00 0.00 C ATOM 79 CG PHE A 20 -10.300 4.020 -5.600 1.00 0.00 C ATOM 80 CD1 PHE A 20 -9.565 2.880 -5.324 1.00 0.00 C ATOM 81 CD2 PHE A 20 -11.550 4.163 -5.020 1.00 0.00 C ATOM 82 CE1 PHE A 20 -10.064 1.901 -4.487 1.00 0.00 C ATOM 83 CE2 PHE A 20 -12.056 3.187 -4.182 1.00 0.00 C ATOM 84 CZ PHE A 20 -11.311 2.055 -3.914 1.00 0.00 C ATOM 0 H PHE A 20 -11.687 3.989 -7.725 1.00 0.00 H new ATOM 0 HA PHE A 20 -9.338 5.487 -8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.744 5.339 -6.191 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.359 5.981 -6.414 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.589 2.754 -5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -12.136 5.047 -5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.480 1.016 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.033 3.309 -3.737 1.00 0.00 H new ATOM 0 HZ PHE A 20 -11.703 1.292 -3.258 1.00 0.00 H new ATOM 94 N ASN A 21 -7.550 3.619 -7.687 1.00 0.00 N ATOM 95 CA ASN A 21 -6.560 2.554 -7.783 1.00 0.00 C ATOM 96 C ASN A 21 -6.419 1.825 -6.452 1.00 0.00 C ATOM 97 O ASN A 21 -5.731 2.295 -5.546 1.00 0.00 O ATOM 98 CB ASN A 21 -5.206 3.121 -8.201 1.00 0.00 C ATOM 99 CG ASN A 21 -5.186 3.563 -9.652 1.00 0.00 C ATOM 100 OD1 ASN A 21 -4.513 2.958 -10.487 1.00 0.00 O ATOM 101 ND2 ASN A 21 -5.926 4.622 -9.959 1.00 0.00 N ATOM 0 H ASN A 21 -7.212 4.470 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.901 1.846 -8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.958 3.969 -7.563 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.435 2.367 -8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.952 4.965 -10.919 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.468 5.093 -9.234 1.00 0.00 H new ATOM 108 N GLU A 22 -7.070 0.673 -6.342 1.00 0.00 N ATOM 109 CA GLU A 22 -7.008 -0.124 -5.120 1.00 0.00 C ATOM 110 C GLU A 22 -5.559 -0.421 -4.760 1.00 0.00 C ATOM 111 O GLU A 22 -5.139 -0.241 -3.617 1.00 0.00 O ATOM 112 CB GLU A 22 -7.783 -1.431 -5.296 1.00 0.00 C ATOM 113 CG GLU A 22 -9.248 -1.227 -5.649 1.00 0.00 C ATOM 114 CD GLU A 22 -9.908 -2.494 -6.155 1.00 0.00 C ATOM 115 OE1 GLU A 22 -10.123 -3.417 -5.342 1.00 0.00 O ATOM 116 OE2 GLU A 22 -10.212 -2.562 -7.364 1.00 0.00 O ATOM 0 H GLU A 22 -7.646 0.270 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.464 0.446 -4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.308 -2.023 -6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.717 -2.010 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.783 -0.869 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.330 -0.451 -6.410 1.00 0.00 H new ATOM 123 N ASN A 23 -4.800 -0.861 -5.755 1.00 0.00 N ATOM 124 CA ASN A 23 -3.390 -1.169 -5.571 1.00 0.00 C ATOM 125 C ASN A 23 -2.641 -0.997 -6.881 1.00 0.00 C ATOM 126 O ASN A 23 -2.400 -1.961 -7.608 1.00 0.00 O ATOM 127 CB ASN A 23 -3.202 -2.589 -5.056 1.00 0.00 C ATOM 128 CG ASN A 23 -4.192 -2.956 -3.967 1.00 0.00 C ATOM 129 OD1 ASN A 23 -5.227 -3.566 -4.233 1.00 0.00 O ATOM 130 ND2 ASN A 23 -3.878 -2.584 -2.731 1.00 0.00 N ATOM 0 H ASN A 23 -5.141 -1.013 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.989 -0.477 -4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.306 -3.288 -5.886 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.188 -2.700 -4.671 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.506 -2.803 -1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.009 -2.080 -2.555 1.00 0.00 H new ATOM 137 N ARG A 24 -2.288 0.240 -7.174 1.00 0.00 N ATOM 138 CA ARG A 24 -1.574 0.578 -8.401 1.00 0.00 C ATOM 139 C ARG A 24 -0.817 1.892 -8.240 1.00 0.00 C ATOM 140 O ARG A 24 0.413 1.922 -8.257 1.00 0.00 O ATOM 141 CB ARG A 24 -2.559 0.698 -9.569 1.00 0.00 C ATOM 142 CG ARG A 24 -3.294 -0.592 -9.893 1.00 0.00 C ATOM 143 CD ARG A 24 -2.342 -1.664 -10.398 1.00 0.00 C ATOM 144 NE ARG A 24 -3.031 -2.924 -10.666 1.00 0.00 N ATOM 145 CZ ARG A 24 -3.855 -3.115 -11.694 1.00 0.00 C ATOM 146 NH1 ARG A 24 -4.099 -2.129 -12.549 1.00 0.00 N ATOM 147 NH2 ARG A 24 -4.437 -4.293 -11.867 1.00 0.00 N ATOM 0 H ARG A 24 -2.485 1.040 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.859 -0.218 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.290 1.472 -9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.017 1.028 -10.455 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.809 -0.952 -9.002 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.057 -0.398 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.854 -1.316 -11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.557 -1.829 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.871 -3.703 -10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.654 -1.220 -12.420 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.731 -2.280 -13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.254 -5.053 -11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.068 -4.439 -12.655 1.00 0.00 H new ATOM 161 N TYR A 25 -1.577 2.975 -8.090 1.00 0.00 N ATOM 162 CA TYR A 25 -1.027 4.321 -7.928 1.00 0.00 C ATOM 163 C TYR A 25 0.275 4.328 -7.126 1.00 0.00 C ATOM 164 O TYR A 25 1.257 4.954 -7.525 1.00 0.00 O ATOM 165 CB TYR A 25 -2.057 5.216 -7.234 1.00 0.00 C ATOM 166 CG TYR A 25 -2.364 4.788 -5.814 1.00 0.00 C ATOM 167 CD1 TYR A 25 -2.920 3.541 -5.547 1.00 0.00 C ATOM 168 CD2 TYR A 25 -2.088 5.625 -4.740 1.00 0.00 C ATOM 169 CE1 TYR A 25 -3.191 3.143 -4.254 1.00 0.00 C ATOM 170 CE2 TYR A 25 -2.357 5.233 -3.442 1.00 0.00 C ATOM 171 CZ TYR A 25 -2.907 3.991 -3.204 1.00 0.00 C ATOM 172 OH TYR A 25 -3.177 3.597 -1.914 1.00 0.00 O ATOM 0 H TYR A 25 -2.596 2.944 -8.077 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.800 4.701 -8.924 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.689 6.242 -7.225 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.980 5.213 -7.814 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.143 2.873 -6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.656 6.598 -4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.624 2.172 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.138 5.896 -2.618 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.917 4.309 -1.293 1.00 0.00 H new ATOM 182 N LEU A 26 0.273 3.639 -5.989 1.00 0.00 N ATOM 183 CA LEU A 26 1.450 3.581 -5.128 1.00 0.00 C ATOM 184 C LEU A 26 1.907 2.142 -4.904 1.00 0.00 C ATOM 185 O LEU A 26 3.046 1.899 -4.507 1.00 0.00 O ATOM 186 CB LEU A 26 1.155 4.282 -3.789 1.00 0.00 C ATOM 187 CG LEU A 26 0.733 3.388 -2.610 1.00 0.00 C ATOM 188 CD1 LEU A 26 -0.370 2.421 -3.017 1.00 0.00 C ATOM 189 CD2 LEU A 26 1.930 2.633 -2.049 1.00 0.00 C ATOM 0 H LEU A 26 -0.530 3.113 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 26 2.266 4.104 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.046 4.835 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.366 5.015 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 26 0.338 4.035 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.646 1.803 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.241 2.983 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.014 1.783 -3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.608 2.007 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.362 2.006 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.678 3.345 -1.700 1.00 0.00 H new ATOM 201 N THR A 27 1.013 1.193 -5.153 1.00 0.00 N ATOM 202 CA THR A 27 1.325 -0.217 -4.969 1.00 0.00 C ATOM 203 C THR A 27 2.558 -0.623 -5.775 1.00 0.00 C ATOM 204 O THR A 27 3.606 -0.933 -5.210 1.00 0.00 O ATOM 205 CB THR A 27 0.122 -1.071 -5.371 1.00 0.00 C ATOM 206 OG1 THR A 27 -0.916 -0.940 -4.419 1.00 0.00 O ATOM 207 CG2 THR A 27 0.437 -2.547 -5.503 1.00 0.00 C ATOM 0 H THR A 27 0.065 1.376 -5.483 1.00 0.00 H new ATOM 0 HA THR A 27 1.548 -0.383 -3.915 1.00 0.00 H new ATOM 0 HB THR A 27 -0.179 -0.698 -6.350 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.758 -1.558 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.465 -3.087 -5.790 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.203 -2.689 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.800 -2.928 -4.549 1.00 0.00 H new ATOM 215 N GLU A 28 2.418 -0.631 -7.097 1.00 0.00 N ATOM 216 CA GLU A 28 3.513 -1.011 -7.985 1.00 0.00 C ATOM 217 C GLU A 28 4.752 -0.147 -7.758 1.00 0.00 C ATOM 218 O GLU A 28 5.878 -0.641 -7.805 1.00 0.00 O ATOM 219 CB GLU A 28 3.068 -0.904 -9.445 1.00 0.00 C ATOM 220 CG GLU A 28 1.817 -1.709 -9.761 1.00 0.00 C ATOM 221 CD GLU A 28 0.973 -1.071 -10.848 1.00 0.00 C ATOM 222 OE1 GLU A 28 0.869 0.173 -10.866 1.00 0.00 O ATOM 223 OE2 GLU A 28 0.417 -1.816 -11.681 1.00 0.00 O ATOM 0 H GLU A 28 1.555 -0.378 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 28 3.778 -2.044 -7.757 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.886 0.144 -9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.880 -1.242 -10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.104 -2.713 -10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.219 -1.814 -8.856 1.00 0.00 H new ATOM 230 N ARG A 29 4.541 1.143 -7.523 1.00 0.00 N ATOM 231 CA ARG A 29 5.648 2.068 -7.301 1.00 0.00 C ATOM 232 C ARG A 29 6.410 1.722 -6.024 1.00 0.00 C ATOM 233 O ARG A 29 7.640 1.672 -6.018 1.00 0.00 O ATOM 234 CB ARG A 29 5.132 3.508 -7.227 1.00 0.00 C ATOM 235 CG ARG A 29 5.979 4.498 -8.009 1.00 0.00 C ATOM 236 CD ARG A 29 7.434 4.462 -7.567 1.00 0.00 C ATOM 237 NE ARG A 29 8.327 5.027 -8.576 1.00 0.00 N ATOM 238 CZ ARG A 29 8.524 6.332 -8.747 1.00 0.00 C ATOM 239 NH1 ARG A 29 7.892 7.212 -7.980 1.00 0.00 N ATOM 240 NH2 ARG A 29 9.356 6.760 -9.687 1.00 0.00 N ATOM 0 H ARG A 29 3.617 1.572 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 29 6.334 1.976 -8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.110 3.539 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.095 3.819 -6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.916 4.271 -9.073 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.582 5.504 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.543 5.016 -6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.725 3.432 -7.361 1.00 0.00 H new ATOM 0 HE ARG A 29 8.830 4.382 -9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.251 6.889 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.047 8.211 -8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.845 6.089 -10.279 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.507 7.760 -9.818 1.00 0.00 H new ATOM 254 N ARG A 30 5.671 1.491 -4.944 1.00 0.00 N ATOM 255 CA ARG A 30 6.278 1.158 -3.660 1.00 0.00 C ATOM 256 C ARG A 30 6.685 -0.313 -3.599 1.00 0.00 C ATOM 257 O ARG A 30 7.562 -0.688 -2.822 1.00 0.00 O ATOM 258 CB ARG A 30 5.308 1.478 -2.519 1.00 0.00 C ATOM 259 CG ARG A 30 5.973 2.141 -1.324 1.00 0.00 C ATOM 260 CD ARG A 30 4.954 2.833 -0.433 1.00 0.00 C ATOM 261 NE ARG A 30 5.589 3.716 0.543 1.00 0.00 N ATOM 262 CZ ARG A 30 4.985 4.163 1.641 1.00 0.00 C ATOM 263 NH1 ARG A 30 3.733 3.813 1.908 1.00 0.00 N ATOM 264 NH2 ARG A 30 5.635 4.962 2.476 1.00 0.00 N ATOM 0 H ARG A 30 4.652 1.528 -4.932 1.00 0.00 H new ATOM 0 HA ARG A 30 7.178 1.763 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.521 2.131 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.828 0.556 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.515 1.392 -0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.707 2.868 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.266 3.411 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.361 2.083 0.089 1.00 0.00 H new ATOM 0 HE ARG A 30 6.552 4.007 0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.228 3.198 1.270 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.276 4.159 2.751 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.598 5.234 2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.172 5.305 3.318 1.00 0.00 H new ATOM 278 N ARG A 31 6.043 -1.141 -4.416 1.00 0.00 N ATOM 279 CA ARG A 31 6.338 -2.570 -4.444 1.00 0.00 C ATOM 280 C ARG A 31 7.793 -2.827 -4.819 1.00 0.00 C ATOM 281 O ARG A 31 8.449 -3.696 -4.246 1.00 0.00 O ATOM 282 CB ARG A 31 5.413 -3.281 -5.435 1.00 0.00 C ATOM 283 CG ARG A 31 4.383 -4.177 -4.768 1.00 0.00 C ATOM 284 CD ARG A 31 3.252 -4.532 -5.720 1.00 0.00 C ATOM 285 NE ARG A 31 3.430 -5.857 -6.310 1.00 0.00 N ATOM 286 CZ ARG A 31 2.447 -6.553 -6.878 1.00 0.00 C ATOM 287 NH1 ARG A 31 1.219 -6.054 -6.936 1.00 0.00 N ATOM 288 NH2 ARG A 31 2.694 -7.753 -7.388 1.00 0.00 N ATOM 0 H ARG A 31 5.315 -0.848 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 31 6.168 -2.966 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.897 -2.534 -6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.016 -3.880 -6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.865 -5.090 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.977 -3.675 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.303 -4.498 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.198 -3.786 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 31 4.361 -6.273 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.024 -5.133 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.470 -6.592 -7.372 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.636 -8.141 -7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.942 -8.287 -7.823 1.00 0.00 H new ATOM 302 N GLN A 32 8.289 -2.070 -5.790 1.00 0.00 N ATOM 303 CA GLN A 32 9.665 -2.223 -6.246 1.00 0.00 C ATOM 304 C GLN A 32 10.650 -1.890 -5.130 1.00 0.00 C ATOM 305 O GLN A 32 11.616 -2.618 -4.903 1.00 0.00 O ATOM 306 CB GLN A 32 9.923 -1.325 -7.459 1.00 0.00 C ATOM 307 CG GLN A 32 10.554 -2.057 -8.634 1.00 0.00 C ATOM 308 CD GLN A 32 10.474 -1.267 -9.924 1.00 0.00 C ATOM 309 OE1 GLN A 32 9.833 -1.690 -10.886 1.00 0.00 O ATOM 310 NE2 GLN A 32 11.129 -0.112 -9.951 1.00 0.00 N ATOM 0 H GLN A 32 7.760 -1.346 -6.276 1.00 0.00 H new ATOM 0 HA GLN A 32 9.813 -3.264 -6.535 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.980 -0.883 -7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.575 -0.504 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.599 -2.269 -8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.056 -3.017 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.648 0.200 -9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.113 0.464 -10.793 1.00 0.00 H new ATOM 319 N GLN A 33 10.402 -0.782 -4.441 1.00 0.00 N ATOM 320 CA GLN A 33 11.271 -0.348 -3.353 1.00 0.00 C ATOM 321 C GLN A 33 11.057 -1.186 -2.096 1.00 0.00 C ATOM 322 O GLN A 33 12.018 -1.570 -1.428 1.00 0.00 O ATOM 323 CB GLN A 33 11.032 1.130 -3.041 1.00 0.00 C ATOM 324 CG GLN A 33 11.063 2.024 -4.269 1.00 0.00 C ATOM 325 CD GLN A 33 12.467 2.235 -4.801 1.00 0.00 C ATOM 326 OE1 GLN A 33 13.396 1.515 -4.434 1.00 0.00 O ATOM 327 NE2 GLN A 33 12.629 3.225 -5.670 1.00 0.00 N ATOM 0 H GLN A 33 9.607 -0.168 -4.616 1.00 0.00 H new ATOM 0 HA GLN A 33 12.302 -0.486 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.066 1.237 -2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.789 1.471 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.445 1.583 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.623 2.990 -4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.831 3.797 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.552 3.414 -6.062 1.00 0.00 H new ATOM 336 N LEU A 34 9.799 -1.463 -1.771 1.00 0.00 N ATOM 337 CA LEU A 34 9.480 -2.250 -0.585 1.00 0.00 C ATOM 338 C LEU A 34 10.020 -3.667 -0.709 1.00 0.00 C ATOM 339 O LEU A 34 10.541 -4.229 0.254 1.00 0.00 O ATOM 340 CB LEU A 34 7.969 -2.292 -0.359 1.00 0.00 C ATOM 341 CG LEU A 34 7.396 -1.121 0.442 1.00 0.00 C ATOM 342 CD1 LEU A 34 5.930 -1.364 0.751 1.00 0.00 C ATOM 343 CD2 LEU A 34 8.183 -0.911 1.727 1.00 0.00 C ATOM 0 H LEU A 34 8.988 -1.157 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 34 9.955 -1.770 0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.474 -2.324 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.721 -3.220 0.157 1.00 0.00 H new ATOM 0 HG LEU A 34 7.481 -0.217 -0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.534 -0.524 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.374 -1.464 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.828 -2.279 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.759 -0.074 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.131 -1.813 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.224 -0.696 1.485 1.00 0.00 H new ATOM 355 N SER A 35 9.897 -4.239 -1.899 1.00 0.00 N ATOM 356 CA SER A 35 10.377 -5.591 -2.142 1.00 0.00 C ATOM 357 C SER A 35 11.897 -5.652 -2.018 1.00 0.00 C ATOM 358 O SER A 35 12.440 -6.514 -1.328 1.00 0.00 O ATOM 359 CB SER A 35 9.945 -6.065 -3.530 1.00 0.00 C ATOM 360 OG SER A 35 10.136 -7.462 -3.673 1.00 0.00 O ATOM 0 H SER A 35 9.470 -3.789 -2.709 1.00 0.00 H new ATOM 0 HA SER A 35 9.941 -6.250 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.895 -5.820 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.517 -5.536 -4.293 1.00 0.00 H new ATOM 0 HG SER A 35 9.864 -7.916 -2.848 1.00 0.00 H new ATOM 366 N SER A 36 12.577 -4.732 -2.699 1.00 0.00 N ATOM 367 CA SER A 36 14.036 -4.678 -2.672 1.00 0.00 C ATOM 368 C SER A 36 14.561 -4.263 -1.299 1.00 0.00 C ATOM 369 O SER A 36 15.525 -4.838 -0.794 1.00 0.00 O ATOM 370 CB SER A 36 14.546 -3.705 -3.736 1.00 0.00 C ATOM 371 OG SER A 36 15.938 -3.477 -3.595 1.00 0.00 O ATOM 0 H SER A 36 12.140 -4.014 -3.276 1.00 0.00 H new ATOM 0 HA SER A 36 14.407 -5.681 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.339 -4.105 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.010 -2.760 -3.655 1.00 0.00 H new ATOM 0 HG SER A 36 16.239 -2.853 -4.288 1.00 0.00 H new ATOM 377 N GLU A 37 13.932 -3.252 -0.707 1.00 0.00 N ATOM 378 CA GLU A 37 14.348 -2.749 0.599 1.00 0.00 C ATOM 379 C GLU A 37 14.165 -3.803 1.687 1.00 0.00 C ATOM 380 O GLU A 37 15.053 -4.015 2.512 1.00 0.00 O ATOM 381 CB GLU A 37 13.558 -1.490 0.958 1.00 0.00 C ATOM 382 CG GLU A 37 14.184 -0.679 2.082 1.00 0.00 C ATOM 383 CD GLU A 37 15.410 0.090 1.632 1.00 0.00 C ATOM 384 OE1 GLU A 37 15.251 1.231 1.150 1.00 0.00 O ATOM 385 OE2 GLU A 37 16.529 -0.448 1.761 1.00 0.00 O ATOM 0 H GLU A 37 13.132 -2.765 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 37 15.409 -2.505 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.471 -0.861 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.547 -1.776 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.446 0.019 2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.458 -1.347 2.898 1.00 0.00 H new ATOM 392 N LEU A 38 13.009 -4.455 1.686 1.00 0.00 N ATOM 393 CA LEU A 38 12.717 -5.482 2.681 1.00 0.00 C ATOM 394 C LEU A 38 13.276 -6.838 2.256 1.00 0.00 C ATOM 395 O LEU A 38 13.467 -7.727 3.086 1.00 0.00 O ATOM 396 CB LEU A 38 11.208 -5.587 2.910 1.00 0.00 C ATOM 397 CG LEU A 38 10.589 -4.429 3.693 1.00 0.00 C ATOM 398 CD1 LEU A 38 9.173 -4.153 3.211 1.00 0.00 C ATOM 399 CD2 LEU A 38 10.595 -4.731 5.185 1.00 0.00 C ATOM 0 H LEU A 38 12.261 -4.293 1.012 1.00 0.00 H new ATOM 0 HA LEU A 38 13.201 -5.191 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.713 -5.656 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.000 -6.516 3.441 1.00 0.00 H new ATOM 0 HG LEU A 38 11.191 -3.537 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.750 -3.326 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.193 -3.892 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.560 -5.043 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.151 -3.896 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.018 -5.636 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.621 -4.878 5.522 1.00 0.00 H new ATOM 411 N GLY A 39 13.536 -6.992 0.961 1.00 0.00 N ATOM 412 CA GLY A 39 14.070 -8.243 0.458 1.00 0.00 C ATOM 413 C GLY A 39 13.044 -9.359 0.471 1.00 0.00 C ATOM 414 O GLY A 39 13.398 -10.534 0.568 1.00 0.00 O ATOM 0 H GLY A 39 13.386 -6.273 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.431 -8.097 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.929 -8.536 1.061 1.00 0.00 H new ATOM 418 N LEU A 40 11.771 -8.991 0.374 1.00 0.00 N ATOM 419 CA LEU A 40 10.690 -9.971 0.374 1.00 0.00 C ATOM 420 C LEU A 40 10.045 -10.066 -1.003 1.00 0.00 C ATOM 421 O LEU A 40 10.189 -9.169 -1.832 1.00 0.00 O ATOM 422 CB LEU A 40 9.628 -9.610 1.420 1.00 0.00 C ATOM 423 CG LEU A 40 9.547 -8.127 1.785 1.00 0.00 C ATOM 424 CD1 LEU A 40 8.957 -7.325 0.635 1.00 0.00 C ATOM 425 CD2 LEU A 40 8.722 -7.936 3.049 1.00 0.00 C ATOM 0 H LEU A 40 11.462 -8.022 0.294 1.00 0.00 H new ATOM 0 HA LEU A 40 11.120 -10.940 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.654 -9.930 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.827 -10.180 2.327 1.00 0.00 H new ATOM 0 HG LEU A 40 10.557 -7.762 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.907 -6.272 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.586 -7.438 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.954 -7.690 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.674 -6.875 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.714 -8.317 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.186 -8.479 3.872 1.00 0.00 H new ATOM 437 N ASN A 41 9.330 -11.160 -1.236 1.00 0.00 N ATOM 438 CA ASN A 41 8.656 -11.375 -2.509 1.00 0.00 C ATOM 439 C ASN A 41 7.269 -10.735 -2.499 1.00 0.00 C ATOM 440 O ASN A 41 6.681 -10.518 -1.439 1.00 0.00 O ATOM 441 CB ASN A 41 8.554 -12.871 -2.821 1.00 0.00 C ATOM 442 CG ASN A 41 8.093 -13.686 -1.630 1.00 0.00 C ATOM 443 OD1 ASN A 41 8.891 -14.340 -0.960 1.00 0.00 O ATOM 444 ND2 ASN A 41 6.796 -13.648 -1.365 1.00 0.00 N ATOM 0 H ASN A 41 9.202 -11.912 -0.559 1.00 0.00 H new ATOM 0 HA ASN A 41 9.248 -10.901 -3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.860 -13.019 -3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.526 -13.236 -3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.421 -14.176 -0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.172 -13.091 -1.949 1.00 0.00 H new ATOM 451 N GLU A 42 6.760 -10.428 -3.686 1.00 0.00 N ATOM 452 CA GLU A 42 5.447 -9.801 -3.830 1.00 0.00 C ATOM 453 C GLU A 42 4.373 -10.606 -3.112 1.00 0.00 C ATOM 454 O GLU A 42 3.381 -10.056 -2.637 1.00 0.00 O ATOM 455 CB GLU A 42 5.088 -9.679 -5.308 1.00 0.00 C ATOM 456 CG GLU A 42 6.093 -8.877 -6.118 1.00 0.00 C ATOM 457 CD GLU A 42 6.002 -9.160 -7.604 1.00 0.00 C ATOM 458 OE1 GLU A 42 5.458 -10.222 -7.975 1.00 0.00 O ATOM 459 OE2 GLU A 42 6.476 -8.320 -8.398 1.00 0.00 O ATOM 0 H GLU A 42 7.238 -10.604 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 42 5.495 -8.809 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.005 -10.678 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.107 -9.211 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.929 -7.814 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.100 -9.105 -5.769 1.00 0.00 H new ATOM 466 N ALA A 43 4.579 -11.914 -3.032 1.00 0.00 N ATOM 467 CA ALA A 43 3.623 -12.790 -2.362 1.00 0.00 C ATOM 468 C ALA A 43 3.449 -12.350 -0.914 1.00 0.00 C ATOM 469 O ALA A 43 2.354 -12.419 -0.356 1.00 0.00 O ATOM 470 CB ALA A 43 4.087 -14.237 -2.428 1.00 0.00 C ATOM 0 H ALA A 43 5.393 -12.391 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 43 2.662 -12.719 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.362 -14.875 -1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.176 -14.543 -3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.056 -14.331 -1.938 1.00 0.00 H new ATOM 476 N GLN A 44 4.535 -11.858 -0.331 1.00 0.00 N ATOM 477 CA GLN A 44 4.517 -11.352 1.034 1.00 0.00 C ATOM 478 C GLN A 44 3.949 -9.940 1.039 1.00 0.00 C ATOM 479 O GLN A 44 3.363 -9.485 2.022 1.00 0.00 O ATOM 480 CB GLN A 44 5.931 -11.333 1.605 1.00 0.00 C ATOM 481 CG GLN A 44 6.434 -12.697 2.047 1.00 0.00 C ATOM 482 CD GLN A 44 5.659 -13.249 3.227 1.00 0.00 C ATOM 483 OE1 GLN A 44 5.190 -14.387 3.199 1.00 0.00 O ATOM 484 NE2 GLN A 44 5.520 -12.444 4.273 1.00 0.00 N ATOM 0 H GLN A 44 5.445 -11.799 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 44 3.895 -12.003 1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.611 -10.932 0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.960 -10.653 2.456 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.363 -13.394 1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.489 -12.623 2.312 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.925 -11.508 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.008 -12.761 5.096 1.00 0.00 H new ATOM 493 N ILE A 45 4.138 -9.258 -0.086 1.00 0.00 N ATOM 494 CA ILE A 45 3.665 -7.893 -0.264 1.00 0.00 C ATOM 495 C ILE A 45 2.137 -7.839 -0.247 1.00 0.00 C ATOM 496 O ILE A 45 1.550 -6.922 0.325 1.00 0.00 O ATOM 497 CB ILE A 45 4.200 -7.302 -1.590 1.00 0.00 C ATOM 498 CG1 ILE A 45 5.723 -7.144 -1.518 1.00 0.00 C ATOM 499 CG2 ILE A 45 3.540 -5.968 -1.913 1.00 0.00 C ATOM 500 CD1 ILE A 45 6.179 -6.012 -0.619 1.00 0.00 C ATOM 0 H ILE A 45 4.623 -9.637 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 45 4.042 -7.296 0.566 1.00 0.00 H new ATOM 0 HB ILE A 45 3.951 -7.995 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.159 -8.077 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.109 -6.975 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.940 -5.582 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.463 -6.108 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.744 -5.258 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.268 -5.963 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.773 -5.069 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.824 -6.188 0.396 1.00 0.00 H new ATOM 512 N LYS A 46 1.495 -8.828 -0.864 1.00 0.00 N ATOM 513 CA LYS A 46 0.036 -8.879 -0.897 1.00 0.00 C ATOM 514 C LYS A 46 -0.516 -8.885 0.523 1.00 0.00 C ATOM 515 O LYS A 46 -1.398 -8.100 0.868 1.00 0.00 O ATOM 516 CB LYS A 46 -0.440 -10.122 -1.651 1.00 0.00 C ATOM 517 CG LYS A 46 -1.931 -10.119 -1.950 1.00 0.00 C ATOM 518 CD LYS A 46 -2.395 -11.462 -2.493 1.00 0.00 C ATOM 519 CE LYS A 46 -2.776 -11.369 -3.962 1.00 0.00 C ATOM 520 NZ LYS A 46 -1.597 -11.073 -4.824 1.00 0.00 N ATOM 0 H LYS A 46 1.958 -9.599 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.332 -7.996 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.110 -10.201 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.197 -11.008 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.485 -9.882 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.156 -9.336 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.602 -12.199 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.251 -11.813 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.231 -12.307 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.527 -10.590 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.899 -11.018 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.177 -10.165 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.891 -11.829 -4.718 1.00 0.00 H new ATOM 534 N ILE A 47 0.037 -9.768 1.344 1.00 0.00 N ATOM 535 CA ILE A 47 -0.360 -9.881 2.743 1.00 0.00 C ATOM 536 C ILE A 47 0.084 -8.644 3.506 1.00 0.00 C ATOM 537 O ILE A 47 -0.638 -8.112 4.348 1.00 0.00 O ATOM 538 CB ILE A 47 0.279 -11.130 3.390 1.00 0.00 C ATOM 539 CG1 ILE A 47 -0.676 -12.322 3.307 1.00 0.00 C ATOM 540 CG2 ILE A 47 0.682 -10.863 4.839 1.00 0.00 C ATOM 541 CD1 ILE A 47 -0.593 -13.073 1.996 1.00 0.00 C ATOM 0 H ILE A 47 0.768 -10.422 1.063 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.445 -9.973 2.785 1.00 0.00 H new ATOM 0 HB ILE A 47 1.185 -11.369 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.458 -13.009 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.697 -11.970 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.128 -11.762 5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.406 -10.049 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.200 -10.587 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.297 -13.905 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.840 -12.400 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.418 -13.456 1.859 1.00 0.00 H new ATOM 553 N TRP A 48 1.293 -8.209 3.196 1.00 0.00 N ATOM 554 CA TRP A 48 1.895 -7.045 3.824 1.00 0.00 C ATOM 555 C TRP A 48 1.024 -5.818 3.609 1.00 0.00 C ATOM 556 O TRP A 48 0.683 -5.109 4.556 1.00 0.00 O ATOM 557 CB TRP A 48 3.283 -6.850 3.207 1.00 0.00 C ATOM 558 CG TRP A 48 4.074 -5.680 3.708 1.00 0.00 C ATOM 559 CD1 TRP A 48 5.191 -5.728 4.486 1.00 0.00 C ATOM 560 CD2 TRP A 48 3.847 -4.293 3.428 1.00 0.00 C ATOM 561 NE1 TRP A 48 5.669 -4.461 4.702 1.00 0.00 N ATOM 562 CE2 TRP A 48 4.862 -3.566 4.071 1.00 0.00 C ATOM 563 CE3 TRP A 48 2.888 -3.595 2.701 1.00 0.00 C ATOM 564 CZ2 TRP A 48 4.945 -2.181 4.004 1.00 0.00 C ATOM 565 CZ3 TRP A 48 2.969 -2.220 2.634 1.00 0.00 C ATOM 566 CH2 TRP A 48 3.991 -1.527 3.283 1.00 0.00 C ATOM 0 H TRP A 48 1.888 -8.655 2.498 1.00 0.00 H new ATOM 0 HA TRP A 48 1.984 -7.192 4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.865 -7.755 3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.166 -6.747 2.128 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.635 -6.632 4.876 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.498 -4.227 5.249 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.092 -4.122 2.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.736 -1.642 4.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.229 -1.671 2.070 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.027 -0.450 3.213 1.00 0.00 H new ATOM 577 N PHE A 49 0.655 -5.587 2.359 1.00 0.00 N ATOM 578 CA PHE A 49 -0.196 -4.455 2.016 1.00 0.00 C ATOM 579 C PHE A 49 -1.601 -4.656 2.533 1.00 0.00 C ATOM 580 O PHE A 49 -2.211 -3.746 3.093 1.00 0.00 O ATOM 581 CB PHE A 49 -0.186 -4.203 0.512 1.00 0.00 C ATOM 582 CG PHE A 49 0.943 -3.306 0.135 1.00 0.00 C ATOM 583 CD1 PHE A 49 2.193 -3.832 -0.116 1.00 0.00 C ATOM 584 CD2 PHE A 49 0.770 -1.937 0.095 1.00 0.00 C ATOM 585 CE1 PHE A 49 3.260 -3.010 -0.411 1.00 0.00 C ATOM 586 CE2 PHE A 49 1.837 -1.101 -0.189 1.00 0.00 C ATOM 587 CZ PHE A 49 3.085 -1.643 -0.442 1.00 0.00 C ATOM 0 H PHE A 49 0.930 -6.166 1.566 1.00 0.00 H new ATOM 0 HA PHE A 49 0.209 -3.568 2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.097 -5.150 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.131 -3.754 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.338 -4.902 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.205 -1.515 0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.231 -3.436 -0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.696 -0.031 -0.213 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.921 -0.996 -0.663 1.00 0.00 H new ATOM 597 N GLN A 50 -2.107 -5.859 2.342 1.00 0.00 N ATOM 598 CA GLN A 50 -3.440 -6.191 2.788 1.00 0.00 C ATOM 599 C GLN A 50 -3.528 -6.114 4.311 1.00 0.00 C ATOM 600 O GLN A 50 -4.578 -5.792 4.865 1.00 0.00 O ATOM 601 CB GLN A 50 -3.827 -7.586 2.293 1.00 0.00 C ATOM 602 CG GLN A 50 -5.105 -8.120 2.913 1.00 0.00 C ATOM 603 CD GLN A 50 -5.991 -8.830 1.908 1.00 0.00 C ATOM 604 OE1 GLN A 50 -6.999 -8.285 1.459 1.00 0.00 O ATOM 605 NE2 GLN A 50 -5.619 -10.054 1.552 1.00 0.00 N ATOM 0 H GLN A 50 -1.612 -6.622 1.880 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.141 -5.468 2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.943 -7.558 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.012 -8.277 2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.853 -8.809 3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.659 -7.295 3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.775 -10.467 1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.177 -10.582 0.881 1.00 0.00 H new ATOM 614 N ASN A 51 -2.414 -6.409 4.981 1.00 0.00 N ATOM 615 CA ASN A 51 -2.371 -6.368 6.438 1.00 0.00 C ATOM 616 C ASN A 51 -2.360 -4.928 6.939 1.00 0.00 C ATOM 617 O ASN A 51 -2.951 -4.613 7.971 1.00 0.00 O ATOM 618 CB ASN A 51 -1.135 -7.108 6.954 1.00 0.00 C ATOM 619 CG ASN A 51 -1.382 -8.594 7.125 1.00 0.00 C ATOM 620 OD1 ASN A 51 -2.142 -9.200 6.370 1.00 0.00 O ATOM 621 ND2 ASN A 51 -0.738 -9.190 8.122 1.00 0.00 N ATOM 0 H ASN A 51 -1.535 -6.677 4.539 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.266 -6.861 6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.308 -6.957 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.831 -6.680 7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.864 -10.189 8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.117 -8.649 8.724 1.00 0.00 H new ATOM 628 N LYS A 52 -1.684 -4.055 6.197 1.00 0.00 N ATOM 629 CA LYS A 52 -1.597 -2.646 6.561 1.00 0.00 C ATOM 630 C LYS A 52 -2.948 -1.958 6.395 1.00 0.00 C ATOM 631 O LYS A 52 -3.258 -1.001 7.104 1.00 0.00 O ATOM 632 CB LYS A 52 -0.545 -1.940 5.703 1.00 0.00 C ATOM 633 CG LYS A 52 0.881 -2.170 6.178 1.00 0.00 C ATOM 634 CD LYS A 52 1.737 -0.925 5.995 1.00 0.00 C ATOM 635 CE LYS A 52 2.644 -0.693 7.193 1.00 0.00 C ATOM 636 NZ LYS A 52 1.909 -0.088 8.338 1.00 0.00 N ATOM 0 H LYS A 52 -1.189 -4.300 5.340 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.303 -2.584 7.609 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.636 -2.286 4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.750 -0.869 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.874 -2.456 7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.321 -3.000 5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.341 -1.027 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.093 -0.057 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.084 -1.641 7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.467 -0.039 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.563 0.054 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.511 0.828 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.139 -0.723 8.631 1.00 0.00 H new ATOM 650 N ARG A 53 -3.747 -2.450 5.454 1.00 0.00 N ATOM 651 CA ARG A 53 -5.065 -1.881 5.194 1.00 0.00 C ATOM 652 C ARG A 53 -6.144 -2.576 6.024 1.00 0.00 C ATOM 653 O ARG A 53 -7.337 -2.398 5.775 1.00 0.00 O ATOM 654 CB ARG A 53 -5.405 -1.994 3.707 1.00 0.00 C ATOM 655 CG ARG A 53 -4.281 -1.540 2.789 1.00 0.00 C ATOM 656 CD ARG A 53 -4.313 -0.038 2.569 1.00 0.00 C ATOM 657 NE ARG A 53 -3.047 0.465 2.041 1.00 0.00 N ATOM 658 CZ ARG A 53 -2.864 1.712 1.611 1.00 0.00 C ATOM 659 NH1 ARG A 53 -3.863 2.586 1.644 1.00 0.00 N ATOM 660 NH2 ARG A 53 -1.680 2.086 1.147 1.00 0.00 N ATOM 0 H ARG A 53 -3.505 -3.242 4.858 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.037 -0.830 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.654 -3.030 3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.295 -1.399 3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.321 -1.825 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.365 -2.051 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.118 0.210 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.537 0.462 3.511 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.256 -0.177 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.776 2.304 2.000 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.717 3.540 1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.909 1.419 1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.540 3.041 0.818 1.00 0.00 H new ATOM 674 N ALA A 54 -5.723 -3.363 7.010 1.00 0.00 N ATOM 675 CA ALA A 54 -6.661 -4.077 7.868 1.00 0.00 C ATOM 676 C ALA A 54 -6.883 -3.330 9.179 1.00 0.00 C ATOM 677 O ALA A 54 -7.208 -3.933 10.201 1.00 0.00 O ATOM 678 CB ALA A 54 -6.158 -5.486 8.141 1.00 0.00 C ATOM 0 H ALA A 54 -4.741 -3.522 7.234 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.617 -4.138 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.868 -6.008 8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.056 -6.025 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.189 -5.437 8.637 1.00 0.00 H new ATOM 684 N LYS A 55 -6.707 -2.012 9.143 1.00 0.00 N ATOM 685 CA LYS A 55 -6.889 -1.184 10.328 1.00 0.00 C ATOM 686 C LYS A 55 -8.131 -0.310 10.195 1.00 0.00 C ATOM 687 O LYS A 55 -8.170 0.812 10.700 1.00 0.00 O ATOM 688 CB LYS A 55 -5.657 -0.307 10.558 1.00 0.00 C ATOM 689 CG LYS A 55 -5.592 0.297 11.950 1.00 0.00 C ATOM 690 CD LYS A 55 -4.965 1.682 11.927 1.00 0.00 C ATOM 691 CE LYS A 55 -5.406 2.512 13.122 1.00 0.00 C ATOM 692 NZ LYS A 55 -4.786 2.033 14.388 1.00 0.00 N ATOM 0 H LYS A 55 -6.439 -1.496 8.305 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.021 -1.845 11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.760 -0.903 10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.651 0.497 9.822 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.597 0.358 12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.013 -0.355 12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.879 1.591 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.242 2.193 11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.138 3.556 12.958 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.492 2.472 13.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.111 2.624 15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.062 1.045 14.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.751 2.095 14.313 1.00 0.00 H new ATOM 706 N ILE A 56 -9.146 -0.831 9.513 1.00 0.00 N ATOM 707 CA ILE A 56 -10.390 -0.099 9.314 1.00 0.00 C ATOM 708 C ILE A 56 -11.555 -0.800 10.006 1.00 0.00 C ATOM 709 O ILE A 56 -12.385 -1.437 9.357 1.00 0.00 O ATOM 710 CB ILE A 56 -10.716 0.059 7.816 1.00 0.00 C ATOM 711 CG1 ILE A 56 -9.500 0.597 7.060 1.00 0.00 C ATOM 712 CG2 ILE A 56 -11.912 0.981 7.629 1.00 0.00 C ATOM 713 CD1 ILE A 56 -9.547 0.331 5.571 1.00 0.00 C ATOM 0 H ILE A 56 -9.130 -1.758 9.089 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.250 0.889 9.753 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.969 -0.920 7.410 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.425 1.672 7.227 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.597 0.147 7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -12.130 1.083 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.779 0.560 8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -11.685 1.961 8.048 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.653 0.740 5.100 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.591 -0.744 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.431 0.805 5.144 1.00 0.00 H new ATOM 725 N LYS A 57 -11.610 -0.678 11.327 1.00 0.00 N ATOM 726 CA LYS A 57 -12.671 -1.299 12.109 1.00 0.00 C ATOM 727 C LYS A 57 -14.038 -0.769 11.689 1.00 0.00 C ATOM 728 O LYS A 57 -14.140 0.077 10.801 1.00 0.00 O ATOM 729 CB LYS A 57 -12.450 -1.045 13.602 1.00 0.00 C ATOM 730 CG LYS A 57 -11.043 -1.378 14.072 1.00 0.00 C ATOM 731 CD LYS A 57 -10.178 -0.131 14.170 1.00 0.00 C ATOM 732 CE LYS A 57 -8.772 -0.384 13.648 1.00 0.00 C ATOM 733 NZ LYS A 57 -7.824 -0.723 14.745 1.00 0.00 N ATOM 0 H LYS A 57 -10.931 -0.154 11.879 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.644 -2.373 11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.659 0.003 13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.165 -1.637 14.173 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.090 -1.867 15.045 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.585 -2.086 13.381 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.638 0.677 13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.128 0.197 15.208 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.795 -1.198 12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.416 0.501 13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.877 -0.888 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.782 0.064 15.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.149 -1.582 15.232 1.00 0.00 H new ATOM 747 N LYS A 58 -15.085 -1.272 12.333 1.00 0.00 N ATOM 748 CA LYS A 58 -16.447 -0.850 12.026 1.00 0.00 C ATOM 749 C LYS A 58 -17.279 -0.731 13.299 1.00 0.00 C ATOM 750 O LYS A 58 -16.859 -1.165 14.370 1.00 0.00 O ATOM 751 CB LYS A 58 -17.106 -1.839 11.064 1.00 0.00 C ATOM 752 CG LYS A 58 -17.001 -3.287 11.513 1.00 0.00 C ATOM 753 CD LYS A 58 -18.233 -4.084 11.112 1.00 0.00 C ATOM 754 CE LYS A 58 -17.965 -5.580 11.147 1.00 0.00 C ATOM 755 NZ LYS A 58 -19.168 -6.369 10.761 1.00 0.00 N ATOM 0 H LYS A 58 -15.017 -1.973 13.071 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.398 0.130 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.158 -1.578 10.952 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.646 -1.738 10.081 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.113 -3.742 11.074 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.877 -3.326 12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.057 -3.845 11.785 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.545 -3.793 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.143 -5.817 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.648 -5.869 12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.944 -7.384 10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.945 -6.162 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.456 -6.113 9.795 1.00 0.00 H new ATOM 769 N SER A 59 -18.462 -0.139 13.172 1.00 0.00 N ATOM 770 CA SER A 59 -19.356 0.038 14.312 1.00 0.00 C ATOM 771 C SER A 59 -19.801 -1.311 14.866 1.00 0.00 C ATOM 772 O SER A 59 -19.617 -1.541 16.080 1.00 0.00 O ATOM 773 CB SER A 59 -20.576 0.865 13.906 1.00 0.00 C ATOM 774 OG SER A 59 -21.441 0.120 13.066 1.00 0.00 O ATOM 775 OXT SER A 59 -20.333 -2.126 14.083 1.00 0.00 O ATOM 0 H SER A 59 -18.824 0.226 12.291 1.00 0.00 H new ATOM 0 HA SER A 59 -18.811 0.569 15.092 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.116 1.184 14.798 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.251 1.768 13.389 1.00 0.00 H new ATOM 0 HG SER A 59 -21.270 -0.837 13.187 1.00 0.00 H new TER 781 SER A 59