USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 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 25 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 30 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.0029) USER MOD Set 2.1: A 29 SER OG : rot -35:sc= 0.269 USER MOD Set 2.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 19 HIS : no HD1:sc= -0.0364 X(o=-0.036,f=-0.067) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.44! C(o=-3.4!,f=-4.2!) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0329 (180deg=-0.333) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.2) USER MOD Single : A 45 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.8!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.512 F(o=-1.5,f=-0.51) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 56 THR OG1 : rot 79:sc= 0.229 USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 27.709 31.642 40.447 1.00 0.00 N ATOM 16 CA ASP A 2 26.998 32.422 39.414 1.00 0.00 C ATOM 17 C ASP A 2 27.945 33.317 38.574 1.00 0.00 C ATOM 18 O ASP A 2 27.543 34.084 37.704 1.00 0.00 O ATOM 19 CB ASP A 2 25.922 33.254 40.117 1.00 0.00 C ATOM 20 CG ASP A 2 24.922 33.922 39.164 1.00 0.00 C ATOM 21 OD1 ASP A 2 24.987 35.161 39.049 1.00 0.00 O ATOM 22 OD2 ASP A 2 24.035 33.211 38.671 1.00 0.00 O ATOM 0 HA ASP A 2 26.546 31.735 38.699 1.00 0.00 H new ATOM 0 HB2 ASP A 2 25.375 32.612 40.808 1.00 0.00 H new ATOM 0 HB3 ASP A 2 26.408 34.025 40.715 1.00 0.00 H new ATOM 27 N ARG A 3 29.242 33.300 38.916 1.00 0.00 N ATOM 28 CA ARG A 3 30.306 34.152 38.358 1.00 0.00 C ATOM 29 C ARG A 3 31.324 33.249 37.645 1.00 0.00 C ATOM 30 O ARG A 3 31.149 32.027 37.649 1.00 0.00 O ATOM 31 CB ARG A 3 30.926 35.013 39.496 1.00 0.00 C ATOM 32 CG ARG A 3 29.960 35.474 40.598 1.00 0.00 C ATOM 33 CD ARG A 3 28.853 36.380 40.059 1.00 0.00 C ATOM 34 NE ARG A 3 27.900 36.730 41.124 1.00 0.00 N ATOM 35 CZ ARG A 3 26.647 37.081 40.915 1.00 0.00 C ATOM 36 NH1 ARG A 3 26.204 37.350 39.725 1.00 0.00 N ATOM 37 NH2 ARG A 3 25.787 37.150 41.896 1.00 0.00 N ATOM 0 H ARG A 3 29.597 32.659 39.626 1.00 0.00 H new ATOM 0 HA ARG A 3 29.918 34.853 37.619 1.00 0.00 H new ATOM 0 HB2 ARG A 3 31.729 34.440 39.961 1.00 0.00 H new ATOM 0 HB3 ARG A 3 31.382 35.896 39.048 1.00 0.00 H new ATOM 0 HG2 ARG A 3 29.512 34.601 41.074 1.00 0.00 H new ATOM 0 HG3 ARG A 3 30.519 36.006 41.368 1.00 0.00 H new ATOM 0 HD2 ARG A 3 29.290 37.288 39.643 1.00 0.00 H new ATOM 0 HD3 ARG A 3 28.329 35.877 39.246 1.00 0.00 H new ATOM 0 HE ARG A 3 28.231 36.699 42.088 1.00 0.00 H new ATOM 0 HH11 ARG A 3 26.831 37.292 38.922 1.00 0.00 H new ATOM 0 HH12 ARG A 3 25.229 37.619 39.593 1.00 0.00 H new ATOM 0 HH21 ARG A 3 26.080 36.930 42.848 1.00 0.00 H new ATOM 0 HH22 ARG A 3 24.822 37.424 41.710 1.00 0.00 H new ATOM 51 N PRO A 4 32.403 33.770 37.024 1.00 0.00 N ATOM 52 CA PRO A 4 33.321 32.896 36.300 1.00 0.00 C ATOM 53 C PRO A 4 34.133 32.015 37.256 1.00 0.00 C ATOM 54 O PRO A 4 34.579 32.443 38.312 1.00 0.00 O ATOM 55 CB PRO A 4 34.197 33.810 35.459 1.00 0.00 C ATOM 56 CG PRO A 4 34.163 35.154 36.171 1.00 0.00 C ATOM 57 CD PRO A 4 32.856 35.155 36.970 1.00 0.00 C ATOM 0 HA PRO A 4 32.784 32.193 35.663 1.00 0.00 H new ATOM 0 HB2 PRO A 4 35.215 33.426 35.389 1.00 0.00 H new ATOM 0 HB3 PRO A 4 33.817 33.893 34.441 1.00 0.00 H new ATOM 0 HG2 PRO A 4 35.025 35.273 36.827 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.189 35.978 35.458 1.00 0.00 H new ATOM 0 HD2 PRO A 4 33.015 35.551 37.973 1.00 0.00 H new ATOM 0 HD3 PRO A 4 32.109 35.789 36.492 1.00 0.00 H new ATOM 65 N LYS A 5 34.403 30.770 36.834 1.00 0.00 N ATOM 66 CA LYS A 5 35.198 29.826 37.621 1.00 0.00 C ATOM 67 C LYS A 5 36.683 30.165 37.687 1.00 0.00 C ATOM 68 O LYS A 5 37.350 29.763 38.632 1.00 0.00 O ATOM 69 CB LYS A 5 34.980 28.383 37.149 1.00 0.00 C ATOM 70 CG LYS A 5 35.666 28.073 35.801 1.00 0.00 C ATOM 71 CD LYS A 5 35.528 26.593 35.400 1.00 0.00 C ATOM 72 CE LYS A 5 36.281 25.672 36.376 1.00 0.00 C ATOM 73 NZ LYS A 5 36.202 24.252 35.955 1.00 0.00 N ATOM 0 H LYS A 5 34.077 30.395 35.943 1.00 0.00 H new ATOM 0 HA LYS A 5 34.830 29.920 38.643 1.00 0.00 H new ATOM 0 HB2 LYS A 5 35.359 27.698 37.908 1.00 0.00 H new ATOM 0 HB3 LYS A 5 33.910 28.196 37.056 1.00 0.00 H new ATOM 0 HG2 LYS A 5 35.231 28.700 35.022 1.00 0.00 H new ATOM 0 HG3 LYS A 5 36.723 28.332 35.866 1.00 0.00 H new ATOM 0 HD2 LYS A 5 34.474 26.318 35.378 1.00 0.00 H new ATOM 0 HD3 LYS A 5 35.916 26.451 34.391 1.00 0.00 H new ATOM 0 HE2 LYS A 5 37.326 25.978 36.434 1.00 0.00 H new ATOM 0 HE3 LYS A 5 35.862 25.780 37.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 36.720 23.659 36.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 35.206 23.954 35.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 36.625 24.146 35.011 1.00 0.00 H new ATOM 87 N PHE A 6 37.212 30.912 36.707 1.00 0.00 N ATOM 88 CA PHE A 6 38.617 31.330 36.731 1.00 0.00 C ATOM 89 C PHE A 6 38.925 32.258 37.915 1.00 0.00 C ATOM 90 O PHE A 6 40.070 32.361 38.313 1.00 0.00 O ATOM 91 CB PHE A 6 39.031 31.947 35.391 1.00 0.00 C ATOM 92 CG PHE A 6 38.240 33.159 34.949 1.00 0.00 C ATOM 93 CD1 PHE A 6 38.328 34.375 35.655 1.00 0.00 C ATOM 94 CD2 PHE A 6 37.451 33.094 33.773 1.00 0.00 C ATOM 95 CE1 PHE A 6 37.598 35.497 35.225 1.00 0.00 C ATOM 96 CE2 PHE A 6 36.750 34.227 33.333 1.00 0.00 C ATOM 97 CZ PHE A 6 36.819 35.423 34.059 1.00 0.00 C ATOM 0 H PHE A 6 36.690 31.236 35.893 1.00 0.00 H new ATOM 0 HA PHE A 6 39.221 30.435 36.880 1.00 0.00 H new ATOM 0 HB2 PHE A 6 40.083 32.226 35.451 1.00 0.00 H new ATOM 0 HB3 PHE A 6 38.948 31.182 34.619 1.00 0.00 H new ATOM 0 HD1 PHE A 6 38.958 34.446 36.529 1.00 0.00 H new ATOM 0 HD2 PHE A 6 37.389 32.171 33.215 1.00 0.00 H new ATOM 0 HE1 PHE A 6 37.636 36.416 35.791 1.00 0.00 H new ATOM 0 HE2 PHE A 6 36.156 34.177 32.433 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.272 36.291 33.721 1.00 0.00 H new ATOM 107 N CYS A 7 37.892 32.849 38.533 1.00 0.00 N ATOM 108 CA CYS A 7 38.032 33.596 39.779 1.00 0.00 C ATOM 109 C CYS A 7 38.562 32.737 40.942 1.00 0.00 C ATOM 110 O CYS A 7 39.138 33.254 41.887 1.00 0.00 O ATOM 111 CB CYS A 7 36.691 34.198 40.155 1.00 0.00 C ATOM 112 SG CYS A 7 36.231 35.653 39.201 1.00 0.00 S ATOM 0 H CYS A 7 36.936 32.819 38.177 1.00 0.00 H new ATOM 0 HA CYS A 7 38.771 34.378 39.605 1.00 0.00 H new ATOM 0 HB2 CYS A 7 35.919 33.439 40.031 1.00 0.00 H new ATOM 0 HB3 CYS A 7 36.710 34.463 41.212 1.00 0.00 H new ATOM 117 N TYR A 8 38.379 31.413 40.898 1.00 0.00 N ATOM 118 CA TYR A 8 38.862 30.491 41.942 1.00 0.00 C ATOM 119 C TYR A 8 40.347 30.186 41.811 1.00 0.00 C ATOM 120 O TYR A 8 40.927 29.572 42.709 1.00 0.00 O ATOM 121 CB TYR A 8 38.008 29.220 41.940 1.00 0.00 C ATOM 122 CG TYR A 8 36.571 29.431 42.393 1.00 0.00 C ATOM 123 CD1 TYR A 8 35.650 30.103 41.570 1.00 0.00 C ATOM 124 CD2 TYR A 8 36.166 28.953 43.659 1.00 0.00 C ATOM 125 CE1 TYR A 8 34.333 30.326 42.024 1.00 0.00 C ATOM 126 CE2 TYR A 8 34.849 29.166 44.103 1.00 0.00 C ATOM 127 CZ TYR A 8 33.937 29.868 43.290 1.00 0.00 C ATOM 128 OH TYR A 8 32.680 30.111 43.734 1.00 0.00 O ATOM 0 H TYR A 8 37.890 30.945 40.135 1.00 0.00 H new ATOM 0 HA TYR A 8 38.752 30.983 42.908 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.002 28.802 40.933 1.00 0.00 H new ATOM 0 HB3 TYR A 8 38.477 28.480 42.589 1.00 0.00 H new ATOM 0 HD1 TYR A 8 35.950 30.448 40.592 1.00 0.00 H new ATOM 0 HD2 TYR A 8 36.868 28.424 44.286 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.628 30.850 41.396 1.00 0.00 H new ATOM 0 HE2 TYR A 8 34.537 28.792 45.067 1.00 0.00 H new ATOM 0 HH TYR A 8 32.569 29.726 44.628 1.00 0.00 H new ATOM 138 N LEU A 9 40.981 30.611 40.718 1.00 0.00 N ATOM 139 CA LEU A 9 42.415 30.465 40.514 1.00 0.00 C ATOM 140 C LEU A 9 43.134 31.560 41.308 1.00 0.00 C ATOM 141 O LEU A 9 42.822 32.731 41.041 1.00 0.00 O ATOM 142 CB LEU A 9 42.727 30.568 39.014 1.00 0.00 C ATOM 143 CG LEU A 9 42.048 29.481 38.160 1.00 0.00 C ATOM 144 CD1 LEU A 9 42.126 29.852 36.683 1.00 0.00 C ATOM 145 CD2 LEU A 9 42.703 28.113 38.364 1.00 0.00 C ATOM 0 H LEU A 9 40.504 31.071 39.943 1.00 0.00 H new ATOM 0 HA LEU A 9 42.760 29.492 40.865 1.00 0.00 H new ATOM 0 HB2 LEU A 9 42.413 31.548 38.654 1.00 0.00 H new ATOM 0 HB3 LEU A 9 43.806 30.507 38.872 1.00 0.00 H new ATOM 0 HG LEU A 9 41.007 29.419 38.478 1.00 0.00 H new ATOM 0 HD11 LEU A 9 41.643 29.077 36.087 1.00 0.00 H new ATOM 0 HD12 LEU A 9 41.620 30.804 36.520 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.171 29.941 36.385 1.00 0.00 H new ATOM 0 HD21 LEU A 9 42.197 27.372 37.745 1.00 0.00 H new ATOM 0 HD22 LEU A 9 43.754 28.167 38.080 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.625 27.825 39.412 1.00 0.00 H new ATOM 157 N PRO A 10 44.030 31.231 42.263 1.00 0.00 N ATOM 158 CA PRO A 10 44.822 32.217 43.010 1.00 0.00 C ATOM 159 C PRO A 10 45.537 33.207 42.096 1.00 0.00 C ATOM 160 O PRO A 10 45.661 32.973 40.891 1.00 0.00 O ATOM 161 CB PRO A 10 45.794 31.407 43.876 1.00 0.00 C ATOM 162 CG PRO A 10 45.837 30.033 43.214 1.00 0.00 C ATOM 163 CD PRO A 10 44.444 29.883 42.615 1.00 0.00 C ATOM 0 HA PRO A 10 44.180 32.844 43.629 1.00 0.00 H new ATOM 0 HB2 PRO A 10 46.782 31.867 43.901 1.00 0.00 H new ATOM 0 HB3 PRO A 10 45.447 31.341 44.907 1.00 0.00 H new ATOM 0 HG2 PRO A 10 46.611 29.980 42.448 1.00 0.00 H new ATOM 0 HG3 PRO A 10 46.050 29.246 43.937 1.00 0.00 H new ATOM 0 HD2 PRO A 10 44.461 29.235 41.738 1.00 0.00 H new ATOM 0 HD3 PRO A 10 43.755 29.434 43.330 1.00 0.00 H new ATOM 171 N ASP A 11 45.968 34.344 42.656 1.00 0.00 N ATOM 172 CA ASP A 11 46.682 35.347 41.882 1.00 0.00 C ATOM 173 C ASP A 11 47.896 34.718 41.206 1.00 0.00 C ATOM 174 O ASP A 11 48.670 34.000 41.828 1.00 0.00 O ATOM 175 CB ASP A 11 47.090 36.551 42.761 1.00 0.00 C ATOM 176 CG ASP A 11 47.994 36.196 43.937 1.00 0.00 C ATOM 177 OD1 ASP A 11 47.441 35.710 44.952 1.00 0.00 O ATOM 178 OD2 ASP A 11 49.200 36.540 43.860 1.00 0.00 O ATOM 0 H ASP A 11 45.832 34.585 43.638 1.00 0.00 H new ATOM 0 HA ASP A 11 46.014 35.727 41.109 1.00 0.00 H new ATOM 0 HB2 ASP A 11 47.599 37.285 42.136 1.00 0.00 H new ATOM 0 HB3 ASP A 11 46.188 37.028 43.143 1.00 0.00 H new ATOM 183 N ASP A 12 48.025 34.963 39.901 1.00 0.00 N ATOM 184 CA ASP A 12 49.109 34.419 39.082 1.00 0.00 C ATOM 185 C ASP A 12 49.821 35.583 38.384 1.00 0.00 C ATOM 186 O ASP A 12 49.618 35.816 37.198 1.00 0.00 O ATOM 187 CB ASP A 12 48.561 33.352 38.129 1.00 0.00 C ATOM 188 CG ASP A 12 49.696 32.601 37.435 1.00 0.00 C ATOM 189 OD1 ASP A 12 49.835 32.758 36.202 1.00 0.00 O ATOM 190 OD2 ASP A 12 50.409 31.855 38.137 1.00 0.00 O ATOM 0 H ASP A 12 47.374 35.550 39.379 1.00 0.00 H new ATOM 0 HA ASP A 12 49.854 33.908 39.691 1.00 0.00 H new ATOM 0 HB2 ASP A 12 47.941 32.648 38.684 1.00 0.00 H new ATOM 0 HB3 ASP A 12 47.921 33.821 37.382 1.00 0.00 H new ATOM 195 N PRO A 13 50.634 36.379 39.096 1.00 0.00 N ATOM 196 CA PRO A 13 51.507 37.387 38.472 1.00 0.00 C ATOM 197 C PRO A 13 52.533 36.829 37.483 1.00 0.00 C ATOM 198 O PRO A 13 53.219 37.614 36.823 1.00 0.00 O ATOM 199 CB PRO A 13 52.219 38.060 39.645 1.00 0.00 C ATOM 200 CG PRO A 13 52.070 37.112 40.834 1.00 0.00 C ATOM 201 CD PRO A 13 50.751 36.410 40.546 1.00 0.00 C ATOM 0 HA PRO A 13 50.904 38.063 37.867 1.00 0.00 H new ATOM 0 HB2 PRO A 13 53.270 38.233 39.415 1.00 0.00 H new ATOM 0 HB3 PRO A 13 51.776 39.032 39.864 1.00 0.00 H new ATOM 0 HG2 PRO A 13 52.898 36.406 40.894 1.00 0.00 H new ATOM 0 HG3 PRO A 13 52.042 37.652 41.780 1.00 0.00 H new ATOM 0 HD2 PRO A 13 50.744 35.402 40.962 1.00 0.00 H new ATOM 0 HD3 PRO A 13 49.915 36.946 40.996 1.00 0.00 H new ATOM 209 N GLY A 14 52.670 35.509 37.431 1.00 0.00 N ATOM 210 CA GLY A 14 53.626 34.784 36.625 1.00 0.00 C ATOM 211 C GLY A 14 54.963 34.595 37.341 1.00 0.00 C ATOM 212 O GLY A 14 55.016 34.290 38.528 1.00 0.00 O ATOM 0 H GLY A 14 52.080 34.887 37.984 1.00 0.00 H new ATOM 0 HA2 GLY A 14 53.214 33.809 36.366 1.00 0.00 H new ATOM 0 HA3 GLY A 14 53.790 35.319 35.690 1.00 0.00 H new ATOM 216 N VAL A 15 56.057 34.743 36.598 1.00 0.00 N ATOM 217 CA VAL A 15 57.427 34.460 37.086 1.00 0.00 C ATOM 218 C VAL A 15 58.404 35.618 36.871 1.00 0.00 C ATOM 219 O VAL A 15 59.438 35.675 37.549 1.00 0.00 O ATOM 220 CB VAL A 15 57.979 33.173 36.457 1.00 0.00 C ATOM 221 CG1 VAL A 15 57.150 31.952 36.875 1.00 0.00 C ATOM 222 CG2 VAL A 15 58.041 33.232 34.926 1.00 0.00 C ATOM 0 H VAL A 15 56.030 35.065 35.630 1.00 0.00 H new ATOM 0 HA VAL A 15 57.337 34.326 38.164 1.00 0.00 H new ATOM 0 HB VAL A 15 58.998 33.077 36.832 1.00 0.00 H new ATOM 0 HG11 VAL A 15 57.565 31.056 36.414 1.00 0.00 H new ATOM 0 HG12 VAL A 15 57.177 31.848 37.960 1.00 0.00 H new ATOM 0 HG13 VAL A 15 56.118 32.084 36.549 1.00 0.00 H new ATOM 0 HG21 VAL A 15 58.440 32.293 34.542 1.00 0.00 H new ATOM 0 HG22 VAL A 15 57.039 33.391 34.527 1.00 0.00 H new ATOM 0 HG23 VAL A 15 58.688 34.054 34.619 1.00 0.00 H new ATOM 232 N CYS A 16 58.111 36.525 35.939 1.00 0.00 N ATOM 233 CA CYS A 16 58.959 37.690 35.663 1.00 0.00 C ATOM 234 C CYS A 16 59.077 38.637 36.865 1.00 0.00 C ATOM 235 O CYS A 16 58.148 38.772 37.664 1.00 0.00 O ATOM 236 CB CYS A 16 58.410 38.428 34.442 1.00 0.00 C ATOM 237 SG CYS A 16 58.992 37.822 32.840 1.00 0.00 S ATOM 0 H CYS A 16 57.278 36.475 35.352 1.00 0.00 H new ATOM 0 HA CYS A 16 59.968 37.331 35.461 1.00 0.00 H new ATOM 0 HB2 CYS A 16 57.322 38.366 34.461 1.00 0.00 H new ATOM 0 HB3 CYS A 16 58.671 39.483 34.529 1.00 0.00 H new ATOM 242 N LYS A 17 60.207 39.334 36.980 1.00 0.00 N ATOM 243 CA LYS A 17 60.526 40.221 38.105 1.00 0.00 C ATOM 244 C LYS A 17 60.402 41.681 37.684 1.00 0.00 C ATOM 245 O LYS A 17 61.415 42.360 37.489 1.00 0.00 O ATOM 246 CB LYS A 17 61.915 39.901 38.705 1.00 0.00 C ATOM 247 CG LYS A 17 62.006 38.536 39.414 1.00 0.00 C ATOM 248 CD LYS A 17 62.179 37.348 38.450 1.00 0.00 C ATOM 249 CE LYS A 17 62.280 36.014 39.188 1.00 0.00 C ATOM 250 NZ LYS A 17 63.565 35.885 39.923 1.00 0.00 N ATOM 0 H LYS A 17 60.946 39.299 36.278 1.00 0.00 H new ATOM 0 HA LYS A 17 59.800 40.044 38.898 1.00 0.00 H new ATOM 0 HB2 LYS A 17 62.657 39.932 37.907 1.00 0.00 H new ATOM 0 HB3 LYS A 17 62.179 40.684 39.416 1.00 0.00 H new ATOM 0 HG2 LYS A 17 62.845 38.553 40.110 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.104 38.383 40.006 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.335 37.316 37.760 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.076 37.498 37.849 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.450 35.923 39.889 1.00 0.00 H new ATOM 0 HE3 LYS A 17 62.186 35.196 38.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 63.625 34.941 40.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 64.357 36.015 39.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 63.613 36.609 40.668 1.00 0.00 H new ATOM 264 N ALA A 18 59.177 42.142 37.493 1.00 0.00 N ATOM 265 CA ALA A 18 58.893 43.542 37.162 1.00 0.00 C ATOM 266 C ALA A 18 57.965 44.163 38.221 1.00 0.00 C ATOM 267 O ALA A 18 58.079 43.839 39.409 1.00 0.00 O ATOM 268 CB ALA A 18 58.354 43.626 35.725 1.00 0.00 C ATOM 0 H ALA A 18 58.343 41.559 37.562 1.00 0.00 H new ATOM 0 HA ALA A 18 59.805 44.138 37.187 1.00 0.00 H new ATOM 0 HB1 ALA A 18 58.142 44.666 35.476 1.00 0.00 H new ATOM 0 HB2 ALA A 18 59.099 43.232 35.033 1.00 0.00 H new ATOM 0 HB3 ALA A 18 57.439 43.040 35.645 1.00 0.00 H new ATOM 274 N HIS A 19 57.097 45.105 37.833 1.00 0.00 N ATOM 275 CA HIS A 19 56.210 45.774 38.792 1.00 0.00 C ATOM 276 C HIS A 19 54.998 46.415 38.118 1.00 0.00 C ATOM 277 O HIS A 19 55.067 47.568 37.704 1.00 0.00 O ATOM 278 CB HIS A 19 57.040 46.801 39.578 1.00 0.00 C ATOM 279 CG HIS A 19 56.495 47.052 40.949 1.00 0.00 C ATOM 280 ND1 HIS A 19 55.521 47.968 41.291 1.00 0.00 N ATOM 281 CD2 HIS A 19 56.873 46.400 42.086 1.00 0.00 C ATOM 282 CE1 HIS A 19 55.310 47.883 42.621 1.00 0.00 C ATOM 283 NE2 HIS A 19 56.128 46.933 43.128 1.00 0.00 N ATOM 0 H HIS A 19 56.990 45.420 36.869 1.00 0.00 H new ATOM 0 HA HIS A 19 55.798 45.032 39.476 1.00 0.00 H new ATOM 0 HB2 HIS A 19 58.068 46.447 39.659 1.00 0.00 H new ATOM 0 HB3 HIS A 19 57.069 47.740 39.025 1.00 0.00 H new ATOM 0 HD2 HIS A 19 57.613 45.617 42.161 1.00 0.00 H new ATOM 0 HE1 HIS A 19 54.605 48.475 43.186 1.00 0.00 H new ATOM 0 HE2 HIS A 19 56.187 46.656 44.108 1.00 0.00 H new ATOM 292 N ILE A 20 53.867 45.709 38.052 1.00 0.00 N ATOM 293 CA ILE A 20 52.626 46.232 37.470 1.00 0.00 C ATOM 294 C ILE A 20 51.469 46.059 38.483 1.00 0.00 C ATOM 295 O ILE A 20 51.170 44.912 38.824 1.00 0.00 O ATOM 296 CB ILE A 20 52.316 45.570 36.110 1.00 0.00 C ATOM 297 CG1 ILE A 20 53.574 45.537 35.202 1.00 0.00 C ATOM 298 CG2 ILE A 20 51.132 46.282 35.445 1.00 0.00 C ATOM 299 CD1 ILE A 20 53.322 45.183 33.727 1.00 0.00 C ATOM 0 H ILE A 20 53.784 44.754 38.402 1.00 0.00 H new ATOM 0 HA ILE A 20 52.748 47.296 37.268 1.00 0.00 H new ATOM 0 HB ILE A 20 52.031 44.531 36.274 1.00 0.00 H new ATOM 0 HG12 ILE A 20 54.056 46.514 35.245 1.00 0.00 H new ATOM 0 HG13 ILE A 20 54.279 44.815 35.615 1.00 0.00 H new ATOM 0 HG21 ILE A 20 50.917 45.812 34.486 1.00 0.00 H new ATOM 0 HG22 ILE A 20 50.256 46.210 36.089 1.00 0.00 H new ATOM 0 HG23 ILE A 20 51.381 47.331 35.287 1.00 0.00 H new ATOM 0 HD11 ILE A 20 54.268 45.189 33.185 1.00 0.00 H new ATOM 0 HD12 ILE A 20 52.873 44.192 33.662 1.00 0.00 H new ATOM 0 HD13 ILE A 20 52.647 45.917 33.287 1.00 0.00 H new ATOM 311 N PRO A 21 50.831 47.142 38.975 1.00 0.00 N ATOM 312 CA PRO A 21 49.674 47.036 39.857 1.00 0.00 C ATOM 313 C PRO A 21 48.560 46.238 39.183 1.00 0.00 C ATOM 314 O PRO A 21 48.085 46.609 38.101 1.00 0.00 O ATOM 315 CB PRO A 21 49.253 48.478 40.194 1.00 0.00 C ATOM 316 CG PRO A 21 49.833 49.301 39.042 1.00 0.00 C ATOM 317 CD PRO A 21 51.096 48.539 38.669 1.00 0.00 C ATOM 0 HA PRO A 21 49.907 46.496 40.775 1.00 0.00 H new ATOM 0 HB2 PRO A 21 48.169 48.576 40.251 1.00 0.00 H new ATOM 0 HB3 PRO A 21 49.653 48.798 41.156 1.00 0.00 H new ATOM 0 HG2 PRO A 21 49.139 49.365 38.204 1.00 0.00 H new ATOM 0 HG3 PRO A 21 50.056 50.323 39.350 1.00 0.00 H new ATOM 0 HD2 PRO A 21 51.331 48.668 37.613 1.00 0.00 H new ATOM 0 HD3 PRO A 21 51.953 48.906 39.234 1.00 0.00 H new ATOM 325 N ARG A 22 48.179 45.115 39.783 1.00 0.00 N ATOM 326 CA ARG A 22 47.154 44.211 39.263 1.00 0.00 C ATOM 327 C ARG A 22 46.271 43.714 40.395 1.00 0.00 C ATOM 328 O ARG A 22 46.579 43.832 41.576 1.00 0.00 O ATOM 329 CB ARG A 22 47.816 43.053 38.482 1.00 0.00 C ATOM 330 CG ARG A 22 47.439 43.077 36.988 1.00 0.00 C ATOM 331 CD ARG A 22 48.583 43.381 36.022 1.00 0.00 C ATOM 332 NE ARG A 22 48.068 43.899 34.746 1.00 0.00 N ATOM 333 CZ ARG A 22 47.605 45.118 34.507 1.00 0.00 C ATOM 334 NH1 ARG A 22 47.615 46.077 35.387 1.00 0.00 N ATOM 335 NH2 ARG A 22 47.091 45.428 33.345 1.00 0.00 N ATOM 0 H ARG A 22 48.583 44.799 40.665 1.00 0.00 H new ATOM 0 HA ARG A 22 46.512 44.748 38.565 1.00 0.00 H new ATOM 0 HB2 ARG A 22 48.899 43.119 38.584 1.00 0.00 H new ATOM 0 HB3 ARG A 22 47.512 42.101 38.918 1.00 0.00 H new ATOM 0 HG2 ARG A 22 47.012 42.109 36.724 1.00 0.00 H new ATOM 0 HG3 ARG A 22 46.656 43.821 36.841 1.00 0.00 H new ATOM 0 HD2 ARG A 22 49.258 44.111 36.469 1.00 0.00 H new ATOM 0 HD3 ARG A 22 49.164 42.476 35.844 1.00 0.00 H new ATOM 0 HE ARG A 22 48.067 43.250 33.959 1.00 0.00 H new ATOM 0 HH11 ARG A 22 47.994 45.910 36.319 1.00 0.00 H new ATOM 0 HH12 ARG A 22 47.244 46.996 35.144 1.00 0.00 H new ATOM 0 HH21 ARG A 22 47.042 44.727 32.606 1.00 0.00 H new ATOM 0 HH22 ARG A 22 46.739 46.371 33.178 1.00 0.00 H new ATOM 349 N PHE A 23 45.100 43.211 40.025 1.00 0.00 N ATOM 350 CA PHE A 23 44.097 42.769 40.985 1.00 0.00 C ATOM 351 C PHE A 23 43.538 41.413 40.568 1.00 0.00 C ATOM 352 O PHE A 23 43.592 41.049 39.406 1.00 0.00 O ATOM 353 CB PHE A 23 42.992 43.829 41.153 1.00 0.00 C ATOM 354 CG PHE A 23 43.370 45.022 42.012 1.00 0.00 C ATOM 355 CD1 PHE A 23 42.766 45.221 43.273 1.00 0.00 C ATOM 356 CD2 PHE A 23 44.332 45.945 41.572 1.00 0.00 C ATOM 357 CE1 PHE A 23 43.125 46.332 44.064 1.00 0.00 C ATOM 358 CE2 PHE A 23 44.661 47.075 42.342 1.00 0.00 C ATOM 359 CZ PHE A 23 44.048 47.264 43.593 1.00 0.00 C ATOM 0 H PHE A 23 44.819 43.098 39.051 1.00 0.00 H new ATOM 0 HA PHE A 23 44.566 42.648 41.961 1.00 0.00 H new ATOM 0 HB2 PHE A 23 42.702 44.189 40.166 1.00 0.00 H new ATOM 0 HB3 PHE A 23 42.114 43.351 41.588 1.00 0.00 H new ATOM 0 HD1 PHE A 23 42.027 44.520 43.633 1.00 0.00 H new ATOM 0 HD2 PHE A 23 44.828 45.785 40.626 1.00 0.00 H new ATOM 0 HE1 PHE A 23 42.682 46.461 45.040 1.00 0.00 H new ATOM 0 HE2 PHE A 23 45.380 47.793 41.975 1.00 0.00 H new ATOM 0 HZ PHE A 23 44.292 48.131 44.189 1.00 0.00 H new ATOM 369 N TYR A 24 42.999 40.666 41.519 1.00 0.00 N ATOM 370 CA TYR A 24 42.377 39.362 41.260 1.00 0.00 C ATOM 371 C TYR A 24 41.181 39.167 42.213 1.00 0.00 C ATOM 372 O TYR A 24 41.124 39.799 43.280 1.00 0.00 O ATOM 373 CB TYR A 24 43.451 38.257 41.323 1.00 0.00 C ATOM 374 CG TYR A 24 43.333 37.258 42.442 1.00 0.00 C ATOM 375 CD1 TYR A 24 43.597 37.639 43.757 1.00 0.00 C ATOM 376 CD2 TYR A 24 43.002 35.928 42.157 1.00 0.00 C ATOM 377 CE1 TYR A 24 43.440 36.698 44.805 1.00 0.00 C ATOM 378 CE2 TYR A 24 42.755 35.016 43.184 1.00 0.00 C ATOM 379 CZ TYR A 24 42.968 35.406 44.518 1.00 0.00 C ATOM 380 OH TYR A 24 42.771 34.504 45.515 1.00 0.00 O ATOM 0 H TYR A 24 42.977 40.943 42.501 1.00 0.00 H new ATOM 0 HA TYR A 24 41.962 39.307 40.254 1.00 0.00 H new ATOM 0 HB2 TYR A 24 43.434 37.713 40.379 1.00 0.00 H new ATOM 0 HB3 TYR A 24 44.427 38.736 41.397 1.00 0.00 H new ATOM 0 HD1 TYR A 24 43.920 38.646 43.976 1.00 0.00 H new ATOM 0 HD2 TYR A 24 42.937 35.603 41.129 1.00 0.00 H new ATOM 0 HE1 TYR A 24 43.682 36.973 45.821 1.00 0.00 H new ATOM 0 HE2 TYR A 24 42.404 34.020 42.956 1.00 0.00 H new ATOM 0 HH TYR A 24 42.441 33.663 45.135 1.00 0.00 H new ATOM 390 N TYR A 25 40.194 38.357 41.831 1.00 0.00 N ATOM 391 CA TYR A 25 39.061 38.041 42.698 1.00 0.00 C ATOM 392 C TYR A 25 39.428 36.863 43.576 1.00 0.00 C ATOM 393 O TYR A 25 39.785 35.807 43.070 1.00 0.00 O ATOM 394 CB TYR A 25 37.771 37.709 41.933 1.00 0.00 C ATOM 395 CG TYR A 25 36.565 37.543 42.835 1.00 0.00 C ATOM 396 CD1 TYR A 25 35.877 38.674 43.306 1.00 0.00 C ATOM 397 CD2 TYR A 25 36.118 36.264 43.198 1.00 0.00 C ATOM 398 CE1 TYR A 25 34.752 38.518 44.139 1.00 0.00 C ATOM 399 CE2 TYR A 25 34.944 36.096 43.951 1.00 0.00 C ATOM 400 CZ TYR A 25 34.265 37.228 44.432 1.00 0.00 C ATOM 401 OH TYR A 25 33.150 37.120 45.194 1.00 0.00 O ATOM 0 H TYR A 25 40.158 37.904 40.918 1.00 0.00 H new ATOM 0 HA TYR A 25 38.856 38.935 43.286 1.00 0.00 H new ATOM 0 HB2 TYR A 25 37.570 38.501 41.212 1.00 0.00 H new ATOM 0 HB3 TYR A 25 37.920 36.791 41.365 1.00 0.00 H new ATOM 0 HD1 TYR A 25 36.211 39.663 43.029 1.00 0.00 H new ATOM 0 HD2 TYR A 25 36.684 35.396 42.894 1.00 0.00 H new ATOM 0 HE1 TYR A 25 34.262 39.387 44.553 1.00 0.00 H new ATOM 0 HE2 TYR A 25 34.567 35.105 44.158 1.00 0.00 H new ATOM 0 HH TYR A 25 32.927 36.173 45.316 1.00 0.00 H new ATOM 411 N ASN A 26 39.254 37.008 44.881 1.00 0.00 N ATOM 412 CA ASN A 26 39.490 35.931 45.836 1.00 0.00 C ATOM 413 C ASN A 26 38.141 35.415 46.375 1.00 0.00 C ATOM 414 O ASN A 26 37.616 35.959 47.359 1.00 0.00 O ATOM 415 CB ASN A 26 40.525 36.405 46.866 1.00 0.00 C ATOM 416 CG ASN A 26 40.033 37.459 47.830 1.00 0.00 C ATOM 417 OD1 ASN A 26 40.040 38.645 47.585 1.00 0.00 O ATOM 418 ND2 ASN A 26 39.658 37.049 49.005 1.00 0.00 N ATOM 0 H ASN A 26 38.944 37.879 45.311 1.00 0.00 H new ATOM 0 HA ASN A 26 39.940 35.048 45.382 1.00 0.00 H new ATOM 0 HB2 ASN A 26 40.867 35.542 47.438 1.00 0.00 H new ATOM 0 HB3 ASN A 26 41.391 36.798 46.333 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.372 37.725 49.714 1.00 0.00 H new ATOM 0 HD22 ASN A 26 39.650 36.052 49.218 1.00 0.00 H new ATOM 425 N PRO A 27 37.560 34.346 45.791 1.00 0.00 N ATOM 426 CA PRO A 27 36.272 33.799 46.231 1.00 0.00 C ATOM 427 C PRO A 27 36.326 33.289 47.662 1.00 0.00 C ATOM 428 O PRO A 27 35.310 33.310 48.343 1.00 0.00 O ATOM 429 CB PRO A 27 35.905 32.693 45.240 1.00 0.00 C ATOM 430 CG PRO A 27 37.216 32.315 44.570 1.00 0.00 C ATOM 431 CD PRO A 27 38.089 33.569 44.682 1.00 0.00 C ATOM 0 HA PRO A 27 35.508 34.576 46.238 1.00 0.00 H new ATOM 0 HB2 PRO A 27 35.461 31.838 45.750 1.00 0.00 H new ATOM 0 HB3 PRO A 27 35.175 33.043 44.510 1.00 0.00 H new ATOM 0 HG2 PRO A 27 37.682 31.463 45.065 1.00 0.00 H new ATOM 0 HG3 PRO A 27 37.061 32.033 43.529 1.00 0.00 H new ATOM 0 HD2 PRO A 27 39.131 33.301 44.859 1.00 0.00 H new ATOM 0 HD3 PRO A 27 38.060 34.145 43.757 1.00 0.00 H new ATOM 439 N ALA A 28 37.516 32.944 48.170 1.00 0.00 N ATOM 440 CA ALA A 28 37.730 32.515 49.551 1.00 0.00 C ATOM 441 C ALA A 28 37.188 33.491 50.607 1.00 0.00 C ATOM 442 O ALA A 28 36.605 33.074 51.600 1.00 0.00 O ATOM 443 CB ALA A 28 39.240 32.328 49.739 1.00 0.00 C ATOM 0 H ALA A 28 38.373 32.957 47.617 1.00 0.00 H new ATOM 0 HA ALA A 28 37.173 31.591 49.706 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.442 32.007 50.761 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.603 31.572 49.042 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.750 33.272 49.548 1.00 0.00 H new ATOM 449 N SER A 29 37.343 34.809 50.401 1.00 0.00 N ATOM 450 CA SER A 29 36.803 35.851 51.285 1.00 0.00 C ATOM 451 C SER A 29 35.748 36.693 50.548 1.00 0.00 C ATOM 452 O SER A 29 35.381 37.768 51.012 1.00 0.00 O ATOM 453 CB SER A 29 37.957 36.678 51.888 1.00 0.00 C ATOM 454 OG SER A 29 37.596 37.643 52.855 1.00 0.00 O ATOM 0 H SER A 29 37.855 35.185 49.603 1.00 0.00 H new ATOM 0 HA SER A 29 36.280 35.395 52.125 1.00 0.00 H new ATOM 0 HB2 SER A 29 38.671 35.990 52.341 1.00 0.00 H new ATOM 0 HB3 SER A 29 38.476 37.186 51.075 1.00 0.00 H new ATOM 0 HG SER A 29 36.729 38.034 52.619 1.00 0.00 H new ATOM 460 N ASN A 30 35.304 36.233 49.373 1.00 0.00 N ATOM 461 CA ASN A 30 34.324 36.893 48.510 1.00 0.00 C ATOM 462 C ASN A 30 34.647 38.382 48.252 1.00 0.00 C ATOM 463 O ASN A 30 33.795 39.264 48.366 1.00 0.00 O ATOM 464 CB ASN A 30 32.932 36.608 49.094 1.00 0.00 C ATOM 465 CG ASN A 30 31.827 36.863 48.098 1.00 0.00 C ATOM 466 OD1 ASN A 30 31.445 36.012 47.322 1.00 0.00 O ATOM 467 ND2 ASN A 30 31.303 38.066 48.049 1.00 0.00 N ATOM 0 H ASN A 30 35.634 35.351 48.982 1.00 0.00 H new ATOM 0 HA ASN A 30 34.358 36.482 47.501 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.886 35.571 49.426 1.00 0.00 H new ATOM 0 HB3 ASN A 30 32.775 37.232 49.974 1.00 0.00 H new ATOM 0 HD21 ASN A 30 30.580 38.280 47.362 1.00 0.00 H new ATOM 0 HD22 ASN A 30 31.619 38.787 48.698 1.00 0.00 H new ATOM 474 N LYS A 31 35.926 38.692 47.957 1.00 0.00 N ATOM 475 CA LYS A 31 36.401 40.074 47.763 1.00 0.00 C ATOM 476 C LYS A 31 37.469 40.144 46.661 1.00 0.00 C ATOM 477 O LYS A 31 37.678 39.201 45.912 1.00 0.00 O ATOM 478 CB LYS A 31 36.821 40.677 49.125 1.00 0.00 C ATOM 479 CG LYS A 31 38.153 40.125 49.658 1.00 0.00 C ATOM 480 CD LYS A 31 38.406 40.528 51.113 1.00 0.00 C ATOM 481 CE LYS A 31 39.788 40.044 51.565 1.00 0.00 C ATOM 482 NZ LYS A 31 39.924 40.107 53.045 1.00 0.00 N ATOM 0 H LYS A 31 36.658 37.990 47.847 1.00 0.00 H new ATOM 0 HA LYS A 31 35.592 40.704 47.394 1.00 0.00 H new ATOM 0 HB2 LYS A 31 36.900 41.759 49.025 1.00 0.00 H new ATOM 0 HB3 LYS A 31 36.037 40.481 49.857 1.00 0.00 H new ATOM 0 HG2 LYS A 31 38.151 39.038 49.579 1.00 0.00 H new ATOM 0 HG3 LYS A 31 38.970 40.488 49.035 1.00 0.00 H new ATOM 0 HD2 LYS A 31 38.341 41.611 51.214 1.00 0.00 H new ATOM 0 HD3 LYS A 31 37.635 40.101 51.755 1.00 0.00 H new ATOM 0 HE2 LYS A 31 39.946 39.020 51.226 1.00 0.00 H new ATOM 0 HE3 LYS A 31 40.560 40.657 51.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 40.869 39.773 53.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 39.796 41.089 53.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.201 39.503 53.486 1.00 0.00 H new ATOM 496 N CYS A 32 38.116 41.300 46.563 1.00 0.00 N ATOM 497 CA CYS A 32 39.221 41.555 45.647 1.00 0.00 C ATOM 498 C CYS A 32 40.554 41.627 46.398 1.00 0.00 C ATOM 499 O CYS A 32 40.589 41.952 47.592 1.00 0.00 O ATOM 500 CB CYS A 32 38.961 42.867 44.908 1.00 0.00 C ATOM 501 SG CYS A 32 37.377 42.929 44.042 1.00 0.00 S ATOM 0 H CYS A 32 37.879 42.110 47.136 1.00 0.00 H new ATOM 0 HA CYS A 32 39.286 40.734 44.933 1.00 0.00 H new ATOM 0 HB2 CYS A 32 39.003 43.688 45.623 1.00 0.00 H new ATOM 0 HB3 CYS A 32 39.763 43.030 44.188 1.00 0.00 H new ATOM 506 N LYS A 33 41.643 41.425 45.672 1.00 0.00 N ATOM 507 CA LYS A 33 43.018 41.492 46.153 1.00 0.00 C ATOM 508 C LYS A 33 43.886 42.314 45.204 1.00 0.00 C ATOM 509 O LYS A 33 43.555 42.395 44.019 1.00 0.00 O ATOM 510 CB LYS A 33 43.535 40.061 46.257 1.00 0.00 C ATOM 511 CG LYS A 33 43.310 39.446 47.638 1.00 0.00 C ATOM 512 CD LYS A 33 44.396 39.881 48.639 1.00 0.00 C ATOM 513 CE LYS A 33 44.254 39.106 49.944 1.00 0.00 C ATOM 514 NZ LYS A 33 44.554 37.665 49.757 1.00 0.00 N ATOM 0 H LYS A 33 41.590 41.198 44.679 1.00 0.00 H new ATOM 0 HA LYS A 33 43.057 41.983 47.126 1.00 0.00 H new ATOM 0 HB2 LYS A 33 43.040 39.446 45.506 1.00 0.00 H new ATOM 0 HB3 LYS A 33 44.601 40.048 46.028 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.330 39.742 48.013 1.00 0.00 H new ATOM 0 HG3 LYS A 33 43.305 38.359 47.556 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.384 39.709 48.212 1.00 0.00 H new ATOM 0 HD3 LYS A 33 44.314 40.951 48.833 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.927 39.525 50.692 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.240 39.221 50.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.765 37.232 50.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.731 37.191 49.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.376 37.560 49.129 1.00 0.00 H new ATOM 528 N GLU A 34 44.944 42.888 45.742 1.00 0.00 N ATOM 529 CA GLU A 34 45.940 43.686 45.024 1.00 0.00 C ATOM 530 C GLU A 34 47.251 42.891 45.002 1.00 0.00 C ATOM 531 O GLU A 34 47.795 42.580 46.054 1.00 0.00 O ATOM 532 CB GLU A 34 46.097 45.024 45.778 1.00 0.00 C ATOM 533 CG GLU A 34 47.051 46.001 45.076 1.00 0.00 C ATOM 534 CD GLU A 34 47.138 47.309 45.880 1.00 0.00 C ATOM 535 OE1 GLU A 34 48.190 47.526 46.515 1.00 0.00 O ATOM 536 OE2 GLU A 34 46.128 48.047 45.886 1.00 0.00 O ATOM 0 H GLU A 34 45.150 42.812 46.738 1.00 0.00 H new ATOM 0 HA GLU A 34 45.645 43.896 43.996 1.00 0.00 H new ATOM 0 HB2 GLU A 34 45.118 45.493 45.883 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.465 44.826 46.785 1.00 0.00 H new ATOM 0 HG2 GLU A 34 48.041 45.554 44.983 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.697 46.207 44.066 1.00 0.00 H new ATOM 543 N PHE A 35 47.706 42.512 43.804 1.00 0.00 N ATOM 544 CA PHE A 35 48.947 41.773 43.590 1.00 0.00 C ATOM 545 C PHE A 35 49.817 42.522 42.572 1.00 0.00 C ATOM 546 O PHE A 35 49.335 43.279 41.742 1.00 0.00 O ATOM 547 CB PHE A 35 48.659 40.320 43.187 1.00 0.00 C ATOM 548 CG PHE A 35 48.335 40.086 41.719 1.00 0.00 C ATOM 549 CD1 PHE A 35 47.011 39.920 41.280 1.00 0.00 C ATOM 550 CD2 PHE A 35 49.384 39.999 40.800 1.00 0.00 C ATOM 551 CE1 PHE A 35 46.746 39.629 39.924 1.00 0.00 C ATOM 552 CE2 PHE A 35 49.119 39.758 39.442 1.00 0.00 C ATOM 553 CZ PHE A 35 47.805 39.543 39.005 1.00 0.00 C ATOM 0 H PHE A 35 47.208 42.717 42.938 1.00 0.00 H new ATOM 0 HA PHE A 35 49.510 41.716 44.522 1.00 0.00 H new ATOM 0 HB2 PHE A 35 49.526 39.713 43.448 1.00 0.00 H new ATOM 0 HB3 PHE A 35 47.823 39.957 43.785 1.00 0.00 H new ATOM 0 HD1 PHE A 35 46.195 40.015 41.981 1.00 0.00 H new ATOM 0 HD2 PHE A 35 50.404 40.118 41.136 1.00 0.00 H new ATOM 0 HE1 PHE A 35 45.730 39.473 39.594 1.00 0.00 H new ATOM 0 HE2 PHE A 35 49.932 39.738 38.731 1.00 0.00 H new ATOM 0 HZ PHE A 35 47.608 39.313 37.968 1.00 0.00 H new ATOM 563 N ILE A 36 51.139 42.330 42.628 1.00 0.00 N ATOM 564 CA ILE A 36 52.050 42.911 41.644 1.00 0.00 C ATOM 565 C ILE A 36 52.373 41.892 40.558 1.00 0.00 C ATOM 566 O ILE A 36 52.904 40.834 40.845 1.00 0.00 O ATOM 567 CB ILE A 36 53.318 43.471 42.324 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.015 44.822 43.014 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.484 43.625 41.341 1.00 0.00 C ATOM 570 CD1 ILE A 36 52.598 45.968 42.086 1.00 0.00 C ATOM 0 H ILE A 36 51.600 41.774 43.348 1.00 0.00 H new ATOM 0 HA ILE A 36 51.558 43.756 41.162 1.00 0.00 H new ATOM 0 HB ILE A 36 53.622 42.746 43.079 1.00 0.00 H new ATOM 0 HG12 ILE A 36 52.222 44.665 43.745 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.901 45.132 43.567 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.353 44.022 41.866 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.731 42.653 40.914 1.00 0.00 H new ATOM 0 HG23 ILE A 36 54.199 44.310 40.542 1.00 0.00 H new ATOM 0 HD11 ILE A 36 52.411 46.865 42.677 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.396 46.165 41.370 1.00 0.00 H new ATOM 0 HD13 ILE A 36 51.690 45.690 41.550 1.00 0.00 H new ATOM 582 N TYR A 37 52.089 42.263 39.317 1.00 0.00 N ATOM 583 CA TYR A 37 52.419 41.492 38.136 1.00 0.00 C ATOM 584 C TYR A 37 53.820 41.809 37.612 1.00 0.00 C ATOM 585 O TYR A 37 54.305 42.937 37.713 1.00 0.00 O ATOM 586 CB TYR A 37 51.325 41.727 37.101 1.00 0.00 C ATOM 587 CG TYR A 37 51.545 41.072 35.756 1.00 0.00 C ATOM 588 CD1 TYR A 37 50.973 39.818 35.467 1.00 0.00 C ATOM 589 CD2 TYR A 37 52.325 41.731 34.779 1.00 0.00 C ATOM 590 CE1 TYR A 37 51.202 39.215 34.221 1.00 0.00 C ATOM 591 CE2 TYR A 37 52.534 41.138 33.523 1.00 0.00 C ATOM 592 CZ TYR A 37 51.992 39.855 33.245 1.00 0.00 C ATOM 593 OH TYR A 37 52.240 39.253 32.059 1.00 0.00 O ATOM 0 H TYR A 37 51.608 43.136 39.103 1.00 0.00 H new ATOM 0 HA TYR A 37 52.454 40.430 38.381 1.00 0.00 H new ATOM 0 HB2 TYR A 37 50.380 41.368 37.509 1.00 0.00 H new ATOM 0 HB3 TYR A 37 51.219 42.801 36.949 1.00 0.00 H new ATOM 0 HD1 TYR A 37 50.359 39.321 36.203 1.00 0.00 H new ATOM 0 HD2 TYR A 37 52.762 42.694 34.999 1.00 0.00 H new ATOM 0 HE1 TYR A 37 50.768 38.249 34.007 1.00 0.00 H new ATOM 0 HE2 TYR A 37 53.107 41.657 32.769 1.00 0.00 H new ATOM 0 HH TYR A 37 52.800 39.837 31.507 1.00 0.00 H new ATOM 603 N GLY A 38 54.468 40.784 37.039 1.00 0.00 N ATOM 604 CA GLY A 38 55.762 40.907 36.388 1.00 0.00 C ATOM 605 C GLY A 38 55.630 41.305 34.908 1.00 0.00 C ATOM 606 O GLY A 38 55.469 42.466 34.552 1.00 0.00 O ATOM 0 H GLY A 38 54.094 39.835 37.020 1.00 0.00 H new ATOM 0 HA2 GLY A 38 56.361 41.652 36.911 1.00 0.00 H new ATOM 0 HA3 GLY A 38 56.296 39.960 36.462 1.00 0.00 H new ATOM 610 N GLY A 39 55.750 40.298 34.050 1.00 0.00 N ATOM 611 CA GLY A 39 55.841 40.469 32.596 1.00 0.00 C ATOM 612 C GLY A 39 55.594 39.179 31.801 1.00 0.00 C ATOM 613 O GLY A 39 55.353 39.251 30.607 1.00 0.00 O ATOM 0 H GLY A 39 55.788 39.322 34.345 1.00 0.00 H new ATOM 0 HA2 GLY A 39 55.117 41.221 32.283 1.00 0.00 H new ATOM 0 HA3 GLY A 39 56.830 40.854 32.347 1.00 0.00 H new ATOM 617 N CYS A 40 55.623 38.023 32.465 1.00 0.00 N ATOM 618 CA CYS A 40 55.454 36.718 31.840 1.00 0.00 C ATOM 619 C CYS A 40 54.808 35.740 32.835 1.00 0.00 C ATOM 620 O CYS A 40 55.300 35.609 33.952 1.00 0.00 O ATOM 621 CB CYS A 40 56.815 36.194 31.363 1.00 0.00 C ATOM 622 SG CYS A 40 58.147 35.986 32.600 1.00 0.00 S ATOM 0 H CYS A 40 55.768 37.971 33.473 1.00 0.00 H new ATOM 0 HA CYS A 40 54.796 36.810 30.976 1.00 0.00 H new ATOM 0 HB2 CYS A 40 56.651 35.228 30.886 1.00 0.00 H new ATOM 0 HB3 CYS A 40 57.181 36.872 30.592 1.00 0.00 H new ATOM 627 N GLY A 41 53.750 35.057 32.379 1.00 0.00 N ATOM 628 CA GLY A 41 52.894 34.193 33.190 1.00 0.00 C ATOM 629 C GLY A 41 51.670 34.949 33.713 1.00 0.00 C ATOM 630 O GLY A 41 51.801 36.081 34.171 1.00 0.00 O ATOM 0 H GLY A 41 53.460 35.095 31.402 1.00 0.00 H new ATOM 0 HA2 GLY A 41 52.569 33.339 32.595 1.00 0.00 H new ATOM 0 HA3 GLY A 41 53.465 33.798 34.030 1.00 0.00 H new ATOM 634 N GLY A 42 50.488 34.352 33.585 1.00 0.00 N ATOM 635 CA GLY A 42 49.227 34.945 33.981 1.00 0.00 C ATOM 636 C GLY A 42 48.031 34.063 33.648 1.00 0.00 C ATOM 637 O GLY A 42 48.120 33.156 32.818 1.00 0.00 O ATOM 0 H GLY A 42 50.385 33.417 33.191 1.00 0.00 H new ATOM 0 HA2 GLY A 42 49.243 35.139 35.054 1.00 0.00 H new ATOM 0 HA3 GLY A 42 49.112 35.909 33.485 1.00 0.00 H new ATOM 641 N ASN A 43 46.892 34.361 34.262 1.00 0.00 N ATOM 642 CA ASN A 43 45.632 33.642 34.066 1.00 0.00 C ATOM 643 C ASN A 43 44.473 34.590 33.715 1.00 0.00 C ATOM 644 O ASN A 43 44.598 35.803 33.772 1.00 0.00 O ATOM 645 CB ASN A 43 45.372 32.794 35.331 1.00 0.00 C ATOM 646 CG ASN A 43 45.051 33.607 36.582 1.00 0.00 C ATOM 647 OD1 ASN A 43 45.045 34.827 36.606 1.00 0.00 O ATOM 648 ND2 ASN A 43 44.689 32.944 37.652 1.00 0.00 N ATOM 0 H ASN A 43 46.814 35.129 34.928 1.00 0.00 H new ATOM 0 HA ASN A 43 45.705 32.978 33.205 1.00 0.00 H new ATOM 0 HB2 ASN A 43 44.544 32.113 35.133 1.00 0.00 H new ATOM 0 HB3 ASN A 43 46.250 32.179 35.528 1.00 0.00 H new ATOM 0 HD21 ASN A 43 44.406 33.448 38.493 1.00 0.00 H new ATOM 0 HD22 ASN A 43 44.690 31.924 37.645 1.00 0.00 H new ATOM 655 N ALA A 44 43.293 34.030 33.426 1.00 0.00 N ATOM 656 CA ALA A 44 42.075 34.820 33.189 1.00 0.00 C ATOM 657 C ALA A 44 41.594 35.630 34.418 1.00 0.00 C ATOM 658 O ALA A 44 40.655 36.416 34.303 1.00 0.00 O ATOM 659 CB ALA A 44 40.991 33.885 32.658 1.00 0.00 C ATOM 0 H ALA A 44 43.153 33.022 33.350 1.00 0.00 H new ATOM 0 HA ALA A 44 42.310 35.584 32.448 1.00 0.00 H new ATOM 0 HB1 ALA A 44 40.078 34.452 32.476 1.00 0.00 H new ATOM 0 HB2 ALA A 44 41.327 33.430 31.727 1.00 0.00 H new ATOM 0 HB3 ALA A 44 40.792 33.104 33.392 1.00 0.00 H new ATOM 665 N ASN A 45 42.226 35.462 35.588 1.00 0.00 N ATOM 666 CA ASN A 45 41.946 36.214 36.810 1.00 0.00 C ATOM 667 C ASN A 45 42.859 37.458 36.953 1.00 0.00 C ATOM 668 O ASN A 45 42.972 38.032 38.032 1.00 0.00 O ATOM 669 CB ASN A 45 42.027 35.249 38.011 1.00 0.00 C ATOM 670 CG ASN A 45 41.191 35.654 39.205 1.00 0.00 C ATOM 671 OD1 ASN A 45 40.657 36.741 39.348 1.00 0.00 O ATOM 672 ND2 ASN A 45 41.025 34.741 40.133 1.00 0.00 N ATOM 0 H ASN A 45 42.970 34.775 35.709 1.00 0.00 H new ATOM 0 HA ASN A 45 40.936 36.623 36.768 1.00 0.00 H new ATOM 0 HB2 ASN A 45 41.713 34.257 37.685 1.00 0.00 H new ATOM 0 HB3 ASN A 45 43.068 35.167 38.324 1.00 0.00 H new ATOM 0 HD21 ASN A 45 40.458 34.947 40.955 1.00 0.00 H new ATOM 0 HD22 ASN A 45 41.463 33.826 40.032 1.00 0.00 H new ATOM 679 N ASN A 46 43.513 37.884 35.869 1.00 0.00 N ATOM 680 CA ASN A 46 44.368 39.074 35.843 1.00 0.00 C ATOM 681 C ASN A 46 43.554 40.370 35.618 1.00 0.00 C ATOM 682 O ASN A 46 43.378 40.825 34.487 1.00 0.00 O ATOM 683 CB ASN A 46 45.510 38.838 34.837 1.00 0.00 C ATOM 684 CG ASN A 46 45.162 38.933 33.352 1.00 0.00 C ATOM 685 OD1 ASN A 46 43.980 38.598 32.898 1.00 0.00 O flip ATOM 686 ND2 ASN A 46 45.994 39.336 32.551 1.00 0.00 N flip ATOM 0 H ASN A 46 43.463 37.404 34.970 1.00 0.00 H new ATOM 0 HA ASN A 46 44.828 39.233 36.818 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.299 39.560 35.046 1.00 0.00 H new ATOM 0 HB3 ASN A 46 45.926 37.848 35.024 1.00 0.00 H new ATOM 0 HD21 ASN A 46 46.924 39.605 32.873 1.00 0.00 H new ATOM 0 HD22 ASN A 46 45.758 39.403 31.561 1.00 0.00 H new ATOM 693 N PHE A 47 43.037 40.976 36.672 1.00 0.00 N ATOM 694 CA PHE A 47 42.362 42.276 36.589 1.00 0.00 C ATOM 695 C PHE A 47 43.345 43.433 36.794 1.00 0.00 C ATOM 696 O PHE A 47 44.495 43.234 37.138 1.00 0.00 O ATOM 697 CB PHE A 47 41.261 42.404 37.636 1.00 0.00 C ATOM 698 CG PHE A 47 40.404 41.188 37.864 1.00 0.00 C ATOM 699 CD1 PHE A 47 40.014 40.341 36.807 1.00 0.00 C ATOM 700 CD2 PHE A 47 39.976 40.930 39.165 1.00 0.00 C ATOM 701 CE1 PHE A 47 39.205 39.217 37.083 1.00 0.00 C ATOM 702 CE2 PHE A 47 39.096 39.884 39.409 1.00 0.00 C ATOM 703 CZ PHE A 47 38.726 38.998 38.384 1.00 0.00 C ATOM 0 H PHE A 47 43.069 40.587 37.614 1.00 0.00 H new ATOM 0 HA PHE A 47 41.930 42.329 35.590 1.00 0.00 H new ATOM 0 HB2 PHE A 47 41.723 42.678 38.584 1.00 0.00 H new ATOM 0 HB3 PHE A 47 40.611 43.230 37.348 1.00 0.00 H new ATOM 0 HD1 PHE A 47 40.331 40.550 35.796 1.00 0.00 H new ATOM 0 HD2 PHE A 47 40.328 41.542 39.982 1.00 0.00 H new ATOM 0 HE1 PHE A 47 38.955 38.525 36.292 1.00 0.00 H new ATOM 0 HE2 PHE A 47 38.690 39.750 40.401 1.00 0.00 H new ATOM 0 HZ PHE A 47 38.081 38.158 38.594 1.00 0.00 H new ATOM 713 N GLU A 48 42.850 44.666 36.734 1.00 0.00 N ATOM 714 CA GLU A 48 43.654 45.879 36.876 1.00 0.00 C ATOM 715 C GLU A 48 43.373 46.633 38.178 1.00 0.00 C ATOM 716 O GLU A 48 44.291 47.187 38.775 1.00 0.00 O ATOM 717 CB GLU A 48 43.373 46.781 35.684 1.00 0.00 C ATOM 718 CG GLU A 48 43.704 46.048 34.382 1.00 0.00 C ATOM 719 CD GLU A 48 43.742 47.035 33.232 1.00 0.00 C ATOM 720 OE1 GLU A 48 42.650 47.452 32.773 1.00 0.00 O ATOM 721 OE2 GLU A 48 44.891 47.382 32.875 1.00 0.00 O ATOM 0 H GLU A 48 41.859 44.855 36.582 1.00 0.00 H new ATOM 0 HA GLU A 48 44.703 45.586 36.910 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.326 47.082 35.685 1.00 0.00 H new ATOM 0 HB3 GLU A 48 43.967 47.692 35.759 1.00 0.00 H new ATOM 0 HG2 GLU A 48 44.666 45.544 34.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 42.958 45.278 34.188 1.00 0.00 H new ATOM 728 N THR A 49 42.119 46.657 38.636 1.00 0.00 N ATOM 729 CA THR A 49 41.700 47.318 39.879 1.00 0.00 C ATOM 730 C THR A 49 40.463 46.655 40.472 1.00 0.00 C ATOM 731 O THR A 49 39.768 45.862 39.832 1.00 0.00 O ATOM 732 CB THR A 49 41.412 48.820 39.676 1.00 0.00 C ATOM 733 OG1 THR A 49 40.429 48.998 38.693 1.00 0.00 O ATOM 734 CG2 THR A 49 42.625 49.669 39.339 1.00 0.00 C ATOM 0 H THR A 49 41.347 46.208 38.143 1.00 0.00 H new ATOM 0 HA THR A 49 42.537 47.214 40.570 1.00 0.00 H new ATOM 0 HB THR A 49 41.064 49.172 40.647 1.00 0.00 H new ATOM 0 HG1 THR A 49 40.254 49.955 38.575 1.00 0.00 H new ATOM 0 HG21 THR A 49 42.319 50.708 39.216 1.00 0.00 H new ATOM 0 HG22 THR A 49 43.354 49.599 40.146 1.00 0.00 H new ATOM 0 HG23 THR A 49 43.074 49.311 38.413 1.00 0.00 H new ATOM 742 N ARG A 50 40.097 47.036 41.711 1.00 0.00 N ATOM 743 CA ARG A 50 38.836 46.613 42.349 1.00 0.00 C ATOM 744 C ARG A 50 37.590 46.921 41.501 1.00 0.00 C ATOM 745 O ARG A 50 36.577 46.231 41.656 1.00 0.00 O ATOM 746 CB ARG A 50 38.666 47.260 43.724 1.00 0.00 C ATOM 747 CG ARG A 50 39.832 46.954 44.671 1.00 0.00 C ATOM 748 CD ARG A 50 39.554 47.391 46.110 1.00 0.00 C ATOM 749 NE ARG A 50 38.468 46.610 46.727 1.00 0.00 N ATOM 750 CZ ARG A 50 38.248 46.484 48.027 1.00 0.00 C ATOM 751 NH1 ARG A 50 39.013 47.052 48.913 1.00 0.00 N ATOM 752 NH2 ARG A 50 37.243 45.770 48.463 1.00 0.00 N ATOM 0 H ARG A 50 40.667 47.645 42.297 1.00 0.00 H new ATOM 0 HA ARG A 50 38.915 45.531 42.450 1.00 0.00 H new ATOM 0 HB2 ARG A 50 38.575 48.340 43.604 1.00 0.00 H new ATOM 0 HB3 ARG A 50 37.737 46.909 44.173 1.00 0.00 H new ATOM 0 HG2 ARG A 50 40.037 45.884 44.654 1.00 0.00 H new ATOM 0 HG3 ARG A 50 40.729 47.456 44.310 1.00 0.00 H new ATOM 0 HD2 ARG A 50 40.462 47.281 46.704 1.00 0.00 H new ATOM 0 HD3 ARG A 50 39.291 48.449 46.123 1.00 0.00 H new ATOM 0 HE ARG A 50 37.829 46.124 46.098 1.00 0.00 H new ATOM 0 HH11 ARG A 50 39.810 47.614 48.614 1.00 0.00 H new ATOM 0 HH12 ARG A 50 38.816 46.935 49.907 1.00 0.00 H new ATOM 0 HH21 ARG A 50 36.622 45.305 47.800 1.00 0.00 H new ATOM 0 HH22 ARG A 50 37.080 45.678 49.466 1.00 0.00 H new ATOM 766 N ALA A 51 37.645 47.934 40.640 1.00 0.00 N ATOM 767 CA ALA A 51 36.548 48.302 39.753 1.00 0.00 C ATOM 768 C ALA A 51 36.301 47.197 38.713 1.00 0.00 C ATOM 769 O ALA A 51 35.178 46.700 38.593 1.00 0.00 O ATOM 770 CB ALA A 51 36.867 49.643 39.098 1.00 0.00 C ATOM 0 H ALA A 51 38.466 48.531 40.538 1.00 0.00 H new ATOM 0 HA ALA A 51 35.626 48.408 40.325 1.00 0.00 H new ATOM 0 HB1 ALA A 51 36.051 49.926 38.433 1.00 0.00 H new ATOM 0 HB2 ALA A 51 36.988 50.405 39.868 1.00 0.00 H new ATOM 0 HB3 ALA A 51 37.790 49.557 38.525 1.00 0.00 H new ATOM 776 N GLU A 52 37.352 46.755 38.021 1.00 0.00 N ATOM 777 CA GLU A 52 37.285 45.625 37.094 1.00 0.00 C ATOM 778 C GLU A 52 36.974 44.326 37.828 1.00 0.00 C ATOM 779 O GLU A 52 36.047 43.616 37.444 1.00 0.00 O ATOM 780 CB GLU A 52 38.583 45.525 36.307 1.00 0.00 C ATOM 781 CG GLU A 52 38.506 44.285 35.412 1.00 0.00 C ATOM 782 CD GLU A 52 39.665 44.249 34.433 1.00 0.00 C ATOM 783 OE1 GLU A 52 39.378 44.050 33.244 1.00 0.00 O ATOM 784 OE2 GLU A 52 40.789 44.383 34.950 1.00 0.00 O ATOM 0 H GLU A 52 38.280 47.174 38.089 1.00 0.00 H new ATOM 0 HA GLU A 52 36.469 45.796 36.392 1.00 0.00 H new ATOM 0 HB2 GLU A 52 38.732 46.421 35.704 1.00 0.00 H new ATOM 0 HB3 GLU A 52 39.434 45.452 36.985 1.00 0.00 H new ATOM 0 HG2 GLU A 52 38.518 43.386 36.028 1.00 0.00 H new ATOM 0 HG3 GLU A 52 37.563 44.285 34.865 1.00 0.00 H new ATOM 791 N CYS A 53 37.608 44.068 38.979 1.00 0.00 N ATOM 792 CA CYS A 53 37.325 42.901 39.811 1.00 0.00 C ATOM 793 C CYS A 53 35.825 42.709 40.112 1.00 0.00 C ATOM 794 O CYS A 53 35.327 41.595 40.230 1.00 0.00 O ATOM 795 CB CYS A 53 38.091 43.078 41.125 1.00 0.00 C ATOM 796 SG CYS A 53 37.756 41.829 42.378 1.00 0.00 S ATOM 0 H CYS A 53 38.338 44.671 39.359 1.00 0.00 H new ATOM 0 HA CYS A 53 37.639 42.011 39.266 1.00 0.00 H new ATOM 0 HB2 CYS A 53 39.159 43.076 40.908 1.00 0.00 H new ATOM 0 HB3 CYS A 53 37.852 44.058 41.538 1.00 0.00 H new ATOM 801 N ARG A 54 35.080 43.812 40.202 1.00 0.00 N ATOM 802 CA ARG A 54 33.619 43.785 40.279 1.00 0.00 C ATOM 803 C ARG A 54 32.986 43.410 38.951 1.00 0.00 C ATOM 804 O ARG A 54 32.228 42.449 38.884 1.00 0.00 O ATOM 805 CB ARG A 54 33.088 45.120 40.807 1.00 0.00 C ATOM 806 CG ARG A 54 33.362 45.305 42.306 1.00 0.00 C ATOM 807 CD ARG A 54 32.951 46.709 42.724 1.00 0.00 C ATOM 808 NE ARG A 54 33.036 46.890 44.181 1.00 0.00 N ATOM 809 CZ ARG A 54 32.936 48.042 44.827 1.00 0.00 C ATOM 810 NH1 ARG A 54 32.757 49.168 44.202 1.00 0.00 N ATOM 811 NH2 ARG A 54 33.004 48.080 46.127 1.00 0.00 N ATOM 0 H ARG A 54 35.475 44.752 40.224 1.00 0.00 H new ATOM 0 HA ARG A 54 33.335 43.005 40.985 1.00 0.00 H new ATOM 0 HB2 ARG A 54 33.550 45.937 40.252 1.00 0.00 H new ATOM 0 HB3 ARG A 54 32.015 45.178 40.626 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.807 44.565 42.883 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.420 45.146 42.516 1.00 0.00 H new ATOM 0 HD2 ARG A 54 33.592 47.438 42.229 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.931 46.904 42.392 1.00 0.00 H new ATOM 0 HE ARG A 54 33.185 46.053 44.745 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.690 49.181 43.184 1.00 0.00 H new ATOM 0 HH12 ARG A 54 32.684 50.038 44.729 1.00 0.00 H new ATOM 0 HH21 ARG A 54 33.135 47.218 46.656 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.926 48.972 46.616 1.00 0.00 H new ATOM 825 N HIS A 55 33.286 44.131 37.869 1.00 0.00 N ATOM 826 CA HIS A 55 32.681 43.876 36.548 1.00 0.00 C ATOM 827 C HIS A 55 33.023 42.488 35.970 1.00 0.00 C ATOM 828 O HIS A 55 32.246 41.982 35.183 1.00 0.00 O ATOM 829 CB HIS A 55 33.045 45.011 35.588 1.00 0.00 C ATOM 830 CG HIS A 55 32.277 46.288 35.855 1.00 0.00 C ATOM 831 ND1 HIS A 55 31.467 46.929 34.934 1.00 0.00 N ATOM 832 CD2 HIS A 55 32.347 47.082 36.969 1.00 0.00 C ATOM 833 CE1 HIS A 55 31.057 48.095 35.476 1.00 0.00 C ATOM 834 NE2 HIS A 55 31.585 48.208 36.719 1.00 0.00 N ATOM 0 H HIS A 55 33.950 44.905 37.877 1.00 0.00 H new ATOM 0 HA HIS A 55 31.599 43.858 36.681 1.00 0.00 H new ATOM 0 HB2 HIS A 55 34.113 45.214 35.665 1.00 0.00 H new ATOM 0 HB3 HIS A 55 32.855 44.688 34.565 1.00 0.00 H new ATOM 0 HD2 HIS A 55 32.896 46.868 37.874 1.00 0.00 H new ATOM 0 HE1 HIS A 55 30.414 48.819 34.998 1.00 0.00 H new ATOM 0 HE2 HIS A 55 31.444 48.989 37.360 1.00 0.00 H new ATOM 843 N THR A 56 34.117 41.881 36.432 1.00 0.00 N ATOM 844 CA THR A 56 34.617 40.577 35.964 1.00 0.00 C ATOM 845 C THR A 56 34.293 39.433 36.934 1.00 0.00 C ATOM 846 O THR A 56 34.501 38.278 36.590 1.00 0.00 O ATOM 847 CB THR A 56 36.129 40.690 35.675 1.00 0.00 C ATOM 848 OG1 THR A 56 36.350 41.878 34.952 1.00 0.00 O ATOM 849 CG2 THR A 56 36.671 39.558 34.803 1.00 0.00 C ATOM 0 H THR A 56 34.700 42.290 37.163 1.00 0.00 H new ATOM 0 HA THR A 56 34.098 40.319 35.041 1.00 0.00 H new ATOM 0 HB THR A 56 36.633 40.658 36.641 1.00 0.00 H new ATOM 0 HG1 THR A 56 36.349 42.641 35.568 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.739 39.703 34.641 1.00 0.00 H new ATOM 0 HG22 THR A 56 36.506 38.603 35.302 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.155 39.560 33.843 1.00 0.00 H new ATOM 857 N CYS A 57 33.759 39.701 38.134 1.00 0.00 N ATOM 858 CA CYS A 57 33.384 38.636 39.073 1.00 0.00 C ATOM 859 C CYS A 57 32.281 38.993 40.076 1.00 0.00 C ATOM 860 O CYS A 57 31.429 38.159 40.386 1.00 0.00 O ATOM 861 CB CYS A 57 34.644 38.146 39.795 1.00 0.00 C ATOM 862 SG CYS A 57 34.583 36.373 40.171 1.00 0.00 S ATOM 0 H CYS A 57 33.578 40.645 38.476 1.00 0.00 H new ATOM 0 HA CYS A 57 32.940 37.844 38.470 1.00 0.00 H new ATOM 0 HB2 CYS A 57 35.517 38.353 39.176 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.769 38.707 40.721 1.00 0.00 H new ATOM 867 N VAL A 58 32.231 40.224 40.600 1.00 0.00 N ATOM 868 CA VAL A 58 31.237 40.662 41.603 1.00 0.00 C ATOM 869 C VAL A 58 30.573 41.997 41.249 1.00 0.00 C ATOM 870 O VAL A 58 30.915 43.063 41.770 1.00 0.00 O ATOM 871 CB VAL A 58 31.825 40.589 43.020 1.00 0.00 C ATOM 872 CG1 VAL A 58 33.123 41.399 43.215 1.00 0.00 C ATOM 873 CG2 VAL A 58 30.811 40.989 44.093 1.00 0.00 C ATOM 0 H VAL A 58 32.888 40.959 40.339 1.00 0.00 H new ATOM 0 HA VAL A 58 30.406 39.957 41.585 1.00 0.00 H new ATOM 0 HB VAL A 58 32.083 39.537 43.139 1.00 0.00 H new ATOM 0 HG11 VAL A 58 33.468 41.291 44.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 33.889 41.028 42.534 1.00 0.00 H new ATOM 0 HG13 VAL A 58 32.930 42.451 43.006 1.00 0.00 H new ATOM 0 HG21 VAL A 58 31.276 40.921 45.077 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.481 42.013 43.918 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.952 40.319 44.050 1.00 0.00 H new