USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 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 56 CYS SG : rot 63:sc= -12.6! USER MOD Set 1.2: A 79 LYS NZ :NH3+ 179:sc= -0.015 (180deg=-0.0162) USER MOD Set 2.1: A 10 HIS :FLIP no HE2:sc= -0.969 F(o=-8.4,f=-6.2) USER MOD Set 2.2: A 32 ASN : amide:sc= -5.27! C(o=-6.2!,f=-9.1!) USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00551) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.0845 (180deg=-0.675) USER MOD Single : A 2 THR OG1 : rot 37:sc= 1.07 USER MOD Single : A 6 SER OG : rot 106:sc= 0.564 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.31! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc=-0.00551 (180deg=-0.142) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= -8.38! (180deg=-8.38!) USER MOD Single : A 34 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 48 THR OG1 : rot -77:sc= -5! USER MOD Single : A 49 THR OG1 : rot -130:sc= -0.0705 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -114:sc= -1.9! (180deg=-3.8!) USER MOD Single : A 61 HIS : no HE2:sc= -15.1! C(o=-15!,f=-20!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.969! USER MOD Single : A 75 TYR OH : rot 173:sc= -11.1! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.400 7.335 0.928 1.00 0.00 N ATOM 2 CA MET A 1 -20.981 7.756 1.096 1.00 0.00 C ATOM 3 C MET A 1 -20.114 6.526 1.378 1.00 0.00 C ATOM 4 O MET A 1 -20.057 6.038 2.489 1.00 0.00 O ATOM 5 CB MET A 1 -20.873 8.735 2.266 1.00 0.00 C ATOM 6 CG MET A 1 -21.912 9.846 2.099 1.00 0.00 C ATOM 7 SD MET A 1 -21.686 10.645 0.491 1.00 0.00 S ATOM 8 CE MET A 1 -20.395 11.808 0.994 1.00 0.00 C ATOM 0 H1 MET A 1 -22.894 8.016 0.316 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.433 6.391 0.493 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.865 7.304 1.858 1.00 0.00 H new ATOM 0 HA MET A 1 -20.637 8.242 0.183 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.033 8.211 3.208 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.871 9.162 2.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.918 9.432 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.809 10.579 2.899 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.137 12.451 0.153 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.758 12.419 1.820 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.511 11.255 1.313 1.00 0.00 H new ATOM 20 N THR A 2 -19.439 6.022 0.381 1.00 0.00 N ATOM 21 CA THR A 2 -18.578 4.826 0.593 1.00 0.00 C ATOM 22 C THR A 2 -17.108 5.227 0.466 1.00 0.00 C ATOM 23 O THR A 2 -16.626 5.523 -0.610 1.00 0.00 O ATOM 24 CB THR A 2 -18.911 3.764 -0.458 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.653 4.287 -1.754 1.00 0.00 O ATOM 26 CG2 THR A 2 -20.386 3.376 -0.345 1.00 0.00 C ATOM 0 H THR A 2 -19.447 6.388 -0.571 1.00 0.00 H new ATOM 0 HA THR A 2 -18.759 4.420 1.588 1.00 0.00 H new ATOM 0 HB THR A 2 -18.293 2.881 -0.293 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.858 4.859 -1.723 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.622 2.620 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.582 2.975 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 2 -21.007 4.256 -0.510 1.00 0.00 H new ATOM 34 N ASP A 3 -16.389 5.238 1.555 1.00 0.00 N ATOM 35 CA ASP A 3 -14.950 5.620 1.493 1.00 0.00 C ATOM 36 C ASP A 3 -14.112 4.394 1.133 1.00 0.00 C ATOM 37 O ASP A 3 -14.253 3.339 1.717 1.00 0.00 O ATOM 38 CB ASP A 3 -14.507 6.158 2.856 1.00 0.00 C ATOM 39 CG ASP A 3 -13.059 6.641 2.767 1.00 0.00 C ATOM 40 OD1 ASP A 3 -12.833 7.666 2.146 1.00 0.00 O ATOM 41 OD2 ASP A 3 -12.199 5.977 3.322 1.00 0.00 O ATOM 0 H ASP A 3 -16.736 4.999 2.484 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.811 6.390 0.735 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.157 6.977 3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.596 5.379 3.613 1.00 0.00 H new ATOM 46 N LEU A 4 -13.238 4.523 0.172 1.00 0.00 N ATOM 47 CA LEU A 4 -12.390 3.364 -0.225 1.00 0.00 C ATOM 48 C LEU A 4 -11.348 3.101 0.864 1.00 0.00 C ATOM 49 O LEU A 4 -10.946 1.979 1.094 1.00 0.00 O ATOM 50 CB LEU A 4 -11.681 3.679 -1.544 1.00 0.00 C ATOM 51 CG LEU A 4 -12.716 3.830 -2.658 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.014 4.231 -3.957 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.441 2.497 -2.862 1.00 0.00 C ATOM 0 H LEU A 4 -13.075 5.381 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.016 2.481 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.100 4.596 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.979 2.882 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.437 4.600 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.753 4.339 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.495 5.179 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.293 3.462 -4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.180 2.603 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.719 1.729 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.941 2.210 -1.937 1.00 0.00 H new ATOM 65 N PHE A 5 -10.905 4.131 1.533 1.00 0.00 N ATOM 66 CA PHE A 5 -9.889 3.944 2.604 1.00 0.00 C ATOM 67 C PHE A 5 -10.585 3.636 3.929 1.00 0.00 C ATOM 68 O PHE A 5 -9.993 3.734 4.986 1.00 0.00 O ATOM 69 CB PHE A 5 -9.057 5.219 2.746 1.00 0.00 C ATOM 70 CG PHE A 5 -7.862 5.147 1.827 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.866 4.287 0.725 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.745 5.943 2.074 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.754 4.232 -0.123 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.643 5.883 1.214 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.643 5.033 0.122 1.00 0.00 C ATOM 0 H PHE A 5 -11.204 5.094 1.383 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.237 3.112 2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.664 6.091 2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.728 5.338 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.727 3.665 0.528 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.730 6.605 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.758 3.564 -0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.783 6.507 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.787 4.992 -0.535 1.00 0.00 H new ATOM 85 N SER A 6 -11.837 3.265 3.882 1.00 0.00 N ATOM 86 CA SER A 6 -12.565 2.946 5.142 1.00 0.00 C ATOM 87 C SER A 6 -11.687 2.041 6.008 1.00 0.00 C ATOM 88 O SER A 6 -10.627 1.616 5.596 1.00 0.00 O ATOM 89 CB SER A 6 -13.872 2.226 4.808 1.00 0.00 C ATOM 90 OG SER A 6 -14.735 3.119 4.117 1.00 0.00 O ATOM 0 H SER A 6 -12.385 3.170 3.027 1.00 0.00 H new ATOM 0 HA SER A 6 -12.790 3.866 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.671 1.348 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.350 1.873 5.722 1.00 0.00 H new ATOM 0 HG SER A 6 -14.767 2.875 3.168 1.00 0.00 H new ATOM 96 N SER A 7 -12.112 1.737 7.203 1.00 0.00 N ATOM 97 CA SER A 7 -11.280 0.866 8.078 1.00 0.00 C ATOM 98 C SER A 7 -10.798 -0.347 7.275 1.00 0.00 C ATOM 99 O SER A 7 -11.561 -1.256 7.013 1.00 0.00 O ATOM 100 CB SER A 7 -12.113 0.391 9.258 1.00 0.00 C ATOM 101 OG SER A 7 -11.508 0.831 10.467 1.00 0.00 O ATOM 0 H SER A 7 -12.993 2.052 7.609 1.00 0.00 H new ATOM 0 HA SER A 7 -10.421 1.429 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.128 0.782 9.182 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.189 -0.696 9.250 1.00 0.00 H new ATOM 0 HG SER A 7 -12.043 0.528 11.230 1.00 0.00 H new ATOM 107 N PRO A 8 -9.541 -0.317 6.897 1.00 0.00 N ATOM 108 CA PRO A 8 -8.924 -1.397 6.106 1.00 0.00 C ATOM 109 C PRO A 8 -8.651 -2.616 6.988 1.00 0.00 C ATOM 110 O PRO A 8 -8.724 -2.548 8.199 1.00 0.00 O ATOM 111 CB PRO A 8 -7.620 -0.775 5.597 1.00 0.00 C ATOM 112 CG PRO A 8 -7.289 0.388 6.560 1.00 0.00 C ATOM 113 CD PRO A 8 -8.613 0.786 7.237 1.00 0.00 C ATOM 0 HA PRO A 8 -9.559 -1.752 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.816 -1.511 5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.735 -0.413 4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.552 0.080 7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.862 1.231 6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.494 0.888 8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.979 1.743 6.865 1.00 0.00 H new ATOM 121 N ASP A 9 -8.331 -3.729 6.392 1.00 0.00 N ATOM 122 CA ASP A 9 -8.048 -4.949 7.197 1.00 0.00 C ATOM 123 C ASP A 9 -6.604 -4.895 7.696 1.00 0.00 C ATOM 124 O ASP A 9 -6.253 -5.509 8.683 1.00 0.00 O ATOM 125 CB ASP A 9 -8.242 -6.193 6.328 1.00 0.00 C ATOM 126 CG ASP A 9 -9.735 -6.411 6.076 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.274 -5.742 5.211 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.314 -7.245 6.752 1.00 0.00 O ATOM 0 H ASP A 9 -8.253 -3.847 5.382 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.730 -4.994 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.716 -6.074 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.814 -7.065 6.822 1.00 0.00 H new ATOM 133 N HIS A 10 -5.762 -4.167 7.014 1.00 0.00 N ATOM 134 CA HIS A 10 -4.341 -4.077 7.440 1.00 0.00 C ATOM 135 C HIS A 10 -3.819 -2.667 7.168 1.00 0.00 C ATOM 136 O HIS A 10 -4.484 -1.867 6.553 1.00 0.00 O ATOM 137 CB HIS A 10 -3.523 -5.078 6.628 1.00 0.00 C ATOM 138 CG HIS A 10 -3.656 -6.444 7.238 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.721 -7.305 7.326 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.598 -7.083 7.863 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.333 -8.462 7.996 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -3.045 -8.276 8.297 1.00 0.00 N flip ATOM 0 H HIS A 10 -6.000 -3.631 6.179 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.257 -4.298 8.504 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.870 -5.094 5.595 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.476 -4.777 6.608 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.655 -7.125 6.957 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.597 -6.695 7.981 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -4.942 -9.324 8.223 1.00 0.00 H new ATOM 150 N THR A 11 -2.631 -2.356 7.617 1.00 0.00 N ATOM 151 CA THR A 11 -2.075 -1.000 7.368 1.00 0.00 C ATOM 152 C THR A 11 -0.560 -1.101 7.167 1.00 0.00 C ATOM 153 O THR A 11 0.067 -2.064 7.560 1.00 0.00 O ATOM 154 CB THR A 11 -2.356 -0.112 8.571 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.746 -0.135 8.863 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.914 1.325 8.270 1.00 0.00 C ATOM 0 H THR A 11 -2.025 -2.984 8.145 1.00 0.00 H new ATOM 0 HA THR A 11 -2.538 -0.575 6.478 1.00 0.00 H new ATOM 0 HB THR A 11 -1.799 -0.483 9.431 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.927 0.436 9.639 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.117 1.957 9.135 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.846 1.339 8.053 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.464 1.702 7.408 1.00 0.00 H new ATOM 164 N LEU A 12 0.030 -0.107 6.568 1.00 0.00 N ATOM 165 CA LEU A 12 1.509 -0.132 6.351 1.00 0.00 C ATOM 166 C LEU A 12 2.075 1.274 6.468 1.00 0.00 C ATOM 167 O LEU A 12 1.884 2.085 5.602 1.00 0.00 O ATOM 168 CB LEU A 12 1.833 -0.639 4.942 1.00 0.00 C ATOM 169 CG LEU A 12 3.301 -0.302 4.586 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.208 -0.633 5.773 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.736 -1.136 3.390 1.00 0.00 C ATOM 0 H LEU A 12 -0.445 0.725 6.217 1.00 0.00 H new ATOM 0 HA LEU A 12 1.946 -0.790 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.675 -1.716 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.160 -0.181 4.217 1.00 0.00 H new ATOM 0 HG LEU A 12 3.376 0.759 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.241 -0.395 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.902 -0.046 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.128 -1.694 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.770 -0.900 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.656 -2.195 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.095 -0.912 2.538 1.00 0.00 H new ATOM 183 N ASP A 13 2.820 1.561 7.486 1.00 0.00 N ATOM 184 CA ASP A 13 3.426 2.914 7.566 1.00 0.00 C ATOM 185 C ASP A 13 4.615 2.926 6.604 1.00 0.00 C ATOM 186 O ASP A 13 5.351 1.963 6.517 1.00 0.00 O ATOM 187 CB ASP A 13 3.906 3.187 8.994 1.00 0.00 C ATOM 188 CG ASP A 13 4.622 4.537 9.043 1.00 0.00 C ATOM 189 OD1 ASP A 13 5.684 4.644 8.450 1.00 0.00 O ATOM 190 OD2 ASP A 13 4.098 5.441 9.670 1.00 0.00 O ATOM 0 H ASP A 13 3.036 0.931 8.258 1.00 0.00 H new ATOM 0 HA ASP A 13 2.701 3.684 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.059 3.188 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.579 2.394 9.320 1.00 0.00 H new ATOM 195 N ALA A 14 4.830 3.992 5.883 1.00 0.00 N ATOM 196 CA ALA A 14 5.991 4.012 4.952 1.00 0.00 C ATOM 197 C ALA A 14 6.555 5.434 4.933 1.00 0.00 C ATOM 198 O ALA A 14 7.318 5.860 4.061 1.00 0.00 O ATOM 199 CB ALA A 14 5.566 3.525 3.576 1.00 0.00 C ATOM 0 H ALA A 14 4.261 4.838 5.897 1.00 0.00 H new ATOM 0 HA ALA A 14 6.777 3.334 5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.423 3.544 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.186 2.506 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.784 4.176 3.185 1.00 0.00 H new ATOM 205 N LEU A 15 6.196 6.146 5.955 1.00 0.00 N ATOM 206 CA LEU A 15 6.688 7.508 6.163 1.00 0.00 C ATOM 207 C LEU A 15 8.083 7.371 6.743 1.00 0.00 C ATOM 208 O LEU A 15 8.270 6.948 7.866 1.00 0.00 O ATOM 209 CB LEU A 15 5.791 8.218 7.150 1.00 0.00 C ATOM 210 CG LEU A 15 4.330 7.926 6.825 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.440 8.442 7.956 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.967 8.638 5.526 1.00 0.00 C ATOM 0 H LEU A 15 5.556 5.817 6.678 1.00 0.00 H new ATOM 0 HA LEU A 15 6.699 8.080 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.020 7.890 8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.973 9.292 7.113 1.00 0.00 H new ATOM 0 HG LEU A 15 4.181 6.852 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.396 8.233 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.710 7.944 8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.578 9.518 8.066 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.924 8.438 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.112 9.712 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.605 8.274 4.721 1.00 0.00 H new ATOM 224 N GLY A 16 9.057 7.663 5.959 1.00 0.00 N ATOM 225 CA GLY A 16 10.457 7.489 6.416 1.00 0.00 C ATOM 226 C GLY A 16 10.945 6.140 5.881 1.00 0.00 C ATOM 227 O GLY A 16 12.101 5.786 6.000 1.00 0.00 O ATOM 0 H GLY A 16 8.952 8.019 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.086 8.299 6.047 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.512 7.514 7.504 1.00 0.00 H new ATOM 231 N LEU A 17 10.058 5.397 5.259 1.00 0.00 N ATOM 232 CA LEU A 17 10.432 4.093 4.676 1.00 0.00 C ATOM 233 C LEU A 17 10.798 4.335 3.244 1.00 0.00 C ATOM 234 O LEU A 17 10.245 5.193 2.601 1.00 0.00 O ATOM 235 CB LEU A 17 9.240 3.141 4.680 1.00 0.00 C ATOM 236 CG LEU A 17 8.860 2.740 6.097 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.274 1.335 6.047 1.00 0.00 C ATOM 238 CD2 LEU A 17 10.083 2.728 6.997 1.00 0.00 C ATOM 0 H LEU A 17 9.079 5.654 5.135 1.00 0.00 H new ATOM 0 HA LEU A 17 11.248 3.658 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.389 3.618 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.481 2.250 4.100 1.00 0.00 H new ATOM 0 HG LEU A 17 8.141 3.455 6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.992 1.022 7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.393 1.331 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.017 0.645 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.789 2.439 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.811 2.014 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.528 3.723 7.020 1.00 0.00 H new ATOM 250 N ARG A 18 11.694 3.591 2.718 1.00 0.00 N ATOM 251 CA ARG A 18 12.031 3.823 1.303 1.00 0.00 C ATOM 252 C ARG A 18 12.300 2.497 0.631 1.00 0.00 C ATOM 253 O ARG A 18 12.765 1.562 1.246 1.00 0.00 O ATOM 254 CB ARG A 18 13.230 4.738 1.208 1.00 0.00 C ATOM 255 CG ARG A 18 14.290 4.315 2.227 1.00 0.00 C ATOM 256 CD ARG A 18 14.189 5.201 3.469 1.00 0.00 C ATOM 257 NE ARG A 18 15.452 5.976 3.629 1.00 0.00 N ATOM 258 CZ ARG A 18 15.415 7.196 4.091 1.00 0.00 C ATOM 259 NH1 ARG A 18 15.048 8.177 3.314 1.00 0.00 N ATOM 260 NH2 ARG A 18 15.746 7.434 5.331 1.00 0.00 N ATOM 0 H ARG A 18 12.205 2.843 3.188 1.00 0.00 H new ATOM 0 HA ARG A 18 11.197 4.306 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.646 4.703 0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.927 5.769 1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.149 3.270 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.284 4.398 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.342 5.881 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.011 4.588 4.353 1.00 0.00 H new ATOM 0 HE ARG A 18 16.345 5.553 3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.790 7.991 2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.019 9.130 3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.033 6.667 5.938 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.717 8.387 5.693 1.00 0.00 H new ATOM 274 N CYS A 19 12.007 2.403 -0.618 1.00 0.00 N ATOM 275 CA CYS A 19 12.231 1.112 -1.322 1.00 0.00 C ATOM 276 C CYS A 19 13.621 0.600 -0.974 1.00 0.00 C ATOM 277 O CYS A 19 14.555 1.372 -0.881 1.00 0.00 O ATOM 278 CB CYS A 19 12.116 1.326 -2.827 1.00 0.00 C ATOM 279 SG CYS A 19 12.748 -0.125 -3.710 1.00 0.00 S ATOM 0 H CYS A 19 11.623 3.155 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 19 11.484 0.382 -1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.075 1.503 -3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.677 2.213 -3.120 1.00 0.00 H new ATOM 0 HG CYS A 19 12.643 0.067 -4.991 1.00 0.00 H new ATOM 285 N PRO A 20 13.728 -0.691 -0.800 1.00 0.00 N ATOM 286 CA PRO A 20 12.600 -1.651 -0.909 1.00 0.00 C ATOM 287 C PRO A 20 11.872 -1.830 0.438 1.00 0.00 C ATOM 288 O PRO A 20 11.019 -2.674 0.572 1.00 0.00 O ATOM 289 CB PRO A 20 13.306 -2.963 -1.244 1.00 0.00 C ATOM 290 CG PRO A 20 14.751 -2.826 -0.703 1.00 0.00 C ATOM 291 CD PRO A 20 15.021 -1.325 -0.505 1.00 0.00 C ATOM 0 HA PRO A 20 11.854 -1.324 -1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.796 -3.808 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.308 -3.140 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.862 -3.365 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.467 -3.257 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.349 -1.109 0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.803 -0.968 -1.175 1.00 0.00 H new ATOM 299 N GLU A 21 12.261 -1.101 1.443 1.00 0.00 N ATOM 300 CA GLU A 21 11.654 -1.276 2.814 1.00 0.00 C ATOM 301 C GLU A 21 10.122 -1.205 2.845 1.00 0.00 C ATOM 302 O GLU A 21 9.496 -2.037 3.468 1.00 0.00 O ATOM 303 CB GLU A 21 12.218 -0.226 3.760 1.00 0.00 C ATOM 304 CG GLU A 21 13.580 -0.685 4.285 1.00 0.00 C ATOM 305 CD GLU A 21 13.605 -0.567 5.810 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.174 0.458 6.312 1.00 0.00 O ATOM 307 OE2 GLU A 21 14.054 -1.503 6.449 1.00 0.00 O ATOM 0 H GLU A 21 12.981 -0.380 1.385 1.00 0.00 H new ATOM 0 HA GLU A 21 11.921 -2.285 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.319 0.728 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.532 -0.065 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.768 -1.716 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.373 -0.077 3.850 1.00 0.00 H new ATOM 314 N PRO A 22 9.559 -0.231 2.207 1.00 0.00 N ATOM 315 CA PRO A 22 8.101 -0.060 2.184 1.00 0.00 C ATOM 316 C PRO A 22 7.508 -1.177 1.358 1.00 0.00 C ATOM 317 O PRO A 22 6.787 -2.021 1.847 1.00 0.00 O ATOM 318 CB PRO A 22 7.910 1.309 1.543 1.00 0.00 C ATOM 319 CG PRO A 22 9.211 1.620 0.777 1.00 0.00 C ATOM 320 CD PRO A 22 10.304 0.757 1.426 1.00 0.00 C ATOM 0 HA PRO A 22 7.615 -0.104 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.054 1.305 0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.715 2.068 2.301 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.106 1.384 -0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.459 2.679 0.844 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.934 0.280 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.960 1.354 2.059 1.00 0.00 H new ATOM 328 N VAL A 23 7.853 -1.219 0.118 1.00 0.00 N ATOM 329 CA VAL A 23 7.368 -2.326 -0.736 1.00 0.00 C ATOM 330 C VAL A 23 7.594 -3.634 0.022 1.00 0.00 C ATOM 331 O VAL A 23 6.914 -4.618 -0.191 1.00 0.00 O ATOM 332 CB VAL A 23 8.198 -2.364 -2.012 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.931 -3.672 -2.758 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.828 -1.178 -2.902 1.00 0.00 C ATOM 0 H VAL A 23 8.451 -0.536 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 23 6.314 -2.189 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 23 9.256 -2.304 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.526 -3.698 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.204 -4.515 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.873 -3.737 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.424 -1.208 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.770 -1.231 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.026 -0.248 -2.370 1.00 0.00 H new ATOM 344 N MET A 24 8.564 -3.649 0.907 1.00 0.00 N ATOM 345 CA MET A 24 8.850 -4.895 1.674 1.00 0.00 C ATOM 346 C MET A 24 7.786 -5.092 2.753 1.00 0.00 C ATOM 347 O MET A 24 7.323 -6.191 2.988 1.00 0.00 O ATOM 348 CB MET A 24 10.226 -4.782 2.333 1.00 0.00 C ATOM 349 CG MET A 24 11.313 -5.129 1.312 1.00 0.00 C ATOM 350 SD MET A 24 11.584 -6.918 1.305 1.00 0.00 S ATOM 351 CE MET A 24 11.515 -7.151 -0.488 1.00 0.00 C ATOM 0 H MET A 24 9.165 -2.855 1.127 1.00 0.00 H new ATOM 0 HA MET A 24 8.838 -5.747 0.995 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.377 -3.771 2.712 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.288 -5.455 3.188 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.016 -4.792 0.319 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.239 -4.611 1.561 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.661 -8.205 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.543 -6.827 -0.860 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.299 -6.561 -0.962 1.00 0.00 H new ATOM 361 N MET A 25 7.394 -4.040 3.413 1.00 0.00 N ATOM 362 CA MET A 25 6.363 -4.172 4.474 1.00 0.00 C ATOM 363 C MET A 25 5.074 -4.695 3.852 1.00 0.00 C ATOM 364 O MET A 25 4.435 -5.567 4.394 1.00 0.00 O ATOM 365 CB MET A 25 6.116 -2.813 5.125 1.00 0.00 C ATOM 366 CG MET A 25 7.252 -2.500 6.101 1.00 0.00 C ATOM 367 SD MET A 25 6.561 -2.110 7.728 1.00 0.00 S ATOM 368 CE MET A 25 7.267 -3.518 8.618 1.00 0.00 C ATOM 0 H MET A 25 7.744 -3.094 3.262 1.00 0.00 H new ATOM 0 HA MET A 25 6.707 -4.869 5.238 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.055 -2.038 4.361 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.161 -2.818 5.651 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.927 -3.353 6.176 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.840 -1.659 5.733 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.963 -3.477 9.664 1.00 0.00 H new ATOM 0 HE2 MET A 25 6.910 -4.446 8.172 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.355 -3.480 8.555 1.00 0.00 H new ATOM 378 N VAL A 26 4.687 -4.189 2.712 1.00 0.00 N ATOM 379 CA VAL A 26 3.443 -4.708 2.077 1.00 0.00 C ATOM 380 C VAL A 26 3.669 -6.166 1.711 1.00 0.00 C ATOM 381 O VAL A 26 2.748 -6.934 1.619 1.00 0.00 O ATOM 382 CB VAL A 26 3.125 -3.944 0.796 1.00 0.00 C ATOM 383 CG1 VAL A 26 1.913 -4.581 0.108 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.793 -2.497 1.118 1.00 0.00 C ATOM 0 H VAL A 26 5.170 -3.451 2.200 1.00 0.00 H new ATOM 0 HA VAL A 26 2.615 -4.591 2.776 1.00 0.00 H new ATOM 0 HB VAL A 26 3.995 -3.983 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.686 -4.035 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.137 -5.620 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.053 -4.542 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.568 -1.961 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.927 -2.461 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.645 -2.029 1.610 1.00 0.00 H new ATOM 394 N ARG A 27 4.896 -6.543 1.480 1.00 0.00 N ATOM 395 CA ARG A 27 5.186 -7.960 1.107 1.00 0.00 C ATOM 396 C ARG A 27 4.831 -8.863 2.274 1.00 0.00 C ATOM 397 O ARG A 27 4.015 -9.741 2.166 1.00 0.00 O ATOM 398 CB ARG A 27 6.677 -8.141 0.821 1.00 0.00 C ATOM 399 CG ARG A 27 6.886 -8.505 -0.648 1.00 0.00 C ATOM 400 CD ARG A 27 6.965 -10.026 -0.790 1.00 0.00 C ATOM 401 NE ARG A 27 6.900 -10.395 -2.232 1.00 0.00 N ATOM 402 CZ ARG A 27 7.278 -11.582 -2.618 1.00 0.00 C ATOM 403 NH1 ARG A 27 6.472 -12.601 -2.484 1.00 0.00 N ATOM 404 NH2 ARG A 27 8.462 -11.753 -3.140 1.00 0.00 N ATOM 0 H ARG A 27 5.712 -5.933 1.533 1.00 0.00 H new ATOM 0 HA ARG A 27 4.603 -8.211 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.215 -7.223 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.086 -8.924 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.066 -8.115 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.802 -8.046 -1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.892 -10.395 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.145 -10.496 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 27 6.560 -9.720 -2.917 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.546 -12.469 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.769 -13.529 -2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.092 -10.958 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.757 -12.682 -3.442 1.00 0.00 H new ATOM 418 N LYS A 28 5.461 -8.638 3.385 1.00 0.00 N ATOM 419 CA LYS A 28 5.208 -9.468 4.602 1.00 0.00 C ATOM 420 C LYS A 28 3.736 -9.367 4.970 1.00 0.00 C ATOM 421 O LYS A 28 3.095 -10.341 5.290 1.00 0.00 O ATOM 422 CB LYS A 28 6.064 -8.952 5.761 1.00 0.00 C ATOM 423 CG LYS A 28 7.487 -9.496 5.625 1.00 0.00 C ATOM 424 CD LYS A 28 8.241 -9.288 6.941 1.00 0.00 C ATOM 425 CE LYS A 28 9.200 -8.104 6.798 1.00 0.00 C ATOM 426 NZ LYS A 28 10.359 -8.504 5.949 1.00 0.00 N ATOM 0 H LYS A 28 6.155 -7.901 3.510 1.00 0.00 H new ATOM 0 HA LYS A 28 5.468 -10.507 4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.078 -7.862 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.633 -9.264 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.460 -10.556 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.006 -8.988 4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.536 -9.103 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.796 -10.190 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.683 -7.255 6.350 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.548 -7.783 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.159 -7.866 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.636 -9.480 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.091 -8.446 4.946 1.00 0.00 H new ATOM 440 N THR A 29 3.202 -8.189 4.893 1.00 0.00 N ATOM 441 CA THR A 29 1.764 -7.978 5.189 1.00 0.00 C ATOM 442 C THR A 29 0.974 -8.769 4.156 1.00 0.00 C ATOM 443 O THR A 29 -0.045 -9.364 4.432 1.00 0.00 O ATOM 444 CB THR A 29 1.497 -6.477 5.045 1.00 0.00 C ATOM 445 OG1 THR A 29 1.675 -5.839 6.300 1.00 0.00 O ATOM 446 CG2 THR A 29 0.089 -6.191 4.511 1.00 0.00 C ATOM 0 H THR A 29 3.711 -7.345 4.632 1.00 0.00 H new ATOM 0 HA THR A 29 1.480 -8.305 6.189 1.00 0.00 H new ATOM 0 HB THR A 29 2.209 -6.081 4.320 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.505 -4.878 6.206 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.056 -5.114 4.425 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.029 -6.652 3.530 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.651 -6.603 5.197 1.00 0.00 H new ATOM 454 N VAL A 30 1.483 -8.797 2.968 1.00 0.00 N ATOM 455 CA VAL A 30 0.831 -9.556 1.882 1.00 0.00 C ATOM 456 C VAL A 30 0.972 -11.036 2.229 1.00 0.00 C ATOM 457 O VAL A 30 0.162 -11.865 1.867 1.00 0.00 O ATOM 458 CB VAL A 30 1.570 -9.251 0.572 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.316 -10.352 -0.439 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.099 -7.921 -0.023 1.00 0.00 C ATOM 0 H VAL A 30 2.341 -8.316 2.698 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.220 -9.290 1.769 1.00 0.00 H new ATOM 0 HB VAL A 30 2.635 -9.188 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.845 -10.125 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.673 -11.302 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.247 -10.422 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.637 -7.727 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.030 -7.972 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.295 -7.116 0.685 1.00 0.00 H new ATOM 470 N ARG A 31 2.009 -11.351 2.954 1.00 0.00 N ATOM 471 CA ARG A 31 2.251 -12.754 3.375 1.00 0.00 C ATOM 472 C ARG A 31 1.300 -13.080 4.524 1.00 0.00 C ATOM 473 O ARG A 31 0.886 -14.208 4.701 1.00 0.00 O ATOM 474 CB ARG A 31 3.691 -12.899 3.874 1.00 0.00 C ATOM 475 CG ARG A 31 4.683 -12.610 2.735 1.00 0.00 C ATOM 476 CD ARG A 31 6.104 -13.035 3.137 1.00 0.00 C ATOM 477 NE ARG A 31 6.099 -13.671 4.488 1.00 0.00 N ATOM 478 CZ ARG A 31 6.722 -14.801 4.680 1.00 0.00 C ATOM 479 NH1 ARG A 31 6.699 -15.725 3.759 1.00 0.00 N ATOM 480 NH2 ARG A 31 7.369 -15.006 5.795 1.00 0.00 N ATOM 0 H ARG A 31 2.709 -10.683 3.276 1.00 0.00 H new ATOM 0 HA ARG A 31 2.087 -13.428 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.867 -12.212 4.702 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.850 -13.907 4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.378 -13.144 1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.670 -11.547 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.502 -13.734 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.762 -12.166 3.140 1.00 0.00 H new ATOM 0 HE ARG A 31 5.608 -13.222 5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.194 -15.564 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.187 -16.608 3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.387 -14.283 6.515 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.857 -15.889 5.947 1.00 0.00 H new ATOM 494 N ASN A 32 0.950 -12.094 5.309 1.00 0.00 N ATOM 495 CA ASN A 32 0.022 -12.352 6.445 1.00 0.00 C ATOM 496 C ASN A 32 -1.373 -11.845 6.073 1.00 0.00 C ATOM 497 O ASN A 32 -2.268 -11.793 6.892 1.00 0.00 O ATOM 498 CB ASN A 32 0.539 -11.647 7.711 1.00 0.00 C ATOM 499 CG ASN A 32 0.066 -10.189 7.751 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.104 -9.564 6.726 1.00 0.00 O ATOM 501 ND2 ASN A 32 -0.155 -9.620 8.905 1.00 0.00 N ATOM 0 H ASN A 32 1.265 -11.129 5.212 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.031 -13.422 6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.185 -12.174 8.597 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.628 -11.682 7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.470 -8.651 8.944 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.012 -10.145 9.768 1.00 0.00 H new ATOM 508 N MET A 33 -1.560 -11.478 4.834 1.00 0.00 N ATOM 509 CA MET A 33 -2.891 -10.984 4.395 1.00 0.00 C ATOM 510 C MET A 33 -3.617 -12.094 3.636 1.00 0.00 C ATOM 511 O MET A 33 -3.116 -13.190 3.482 1.00 0.00 O ATOM 512 CB MET A 33 -2.716 -9.778 3.468 1.00 0.00 C ATOM 513 CG MET A 33 -2.726 -8.487 4.288 1.00 0.00 C ATOM 514 SD MET A 33 -3.402 -7.140 3.288 1.00 0.00 S ATOM 515 CE MET A 33 -5.055 -7.836 3.047 1.00 0.00 C ATOM 0 H MET A 33 -0.845 -11.500 4.107 1.00 0.00 H new ATOM 0 HA MET A 33 -3.471 -10.690 5.270 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.778 -9.863 2.919 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.517 -9.756 2.729 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.325 -8.621 5.189 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.714 -8.241 4.611 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.653 -7.153 2.443 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.975 -8.796 2.537 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.534 -7.979 4.015 1.00 0.00 H new ATOM 525 N GLN A 34 -4.791 -11.810 3.154 1.00 0.00 N ATOM 526 CA GLN A 34 -5.561 -12.829 2.394 1.00 0.00 C ATOM 527 C GLN A 34 -6.148 -12.163 1.151 1.00 0.00 C ATOM 528 O GLN A 34 -6.395 -10.973 1.152 1.00 0.00 O ATOM 529 CB GLN A 34 -6.693 -13.370 3.270 1.00 0.00 C ATOM 530 CG GLN A 34 -6.101 -14.056 4.503 1.00 0.00 C ATOM 531 CD GLN A 34 -7.140 -15.000 5.111 1.00 0.00 C ATOM 532 OE1 GLN A 34 -8.128 -15.321 4.481 1.00 0.00 O ATOM 533 NE2 GLN A 34 -6.957 -15.461 6.318 1.00 0.00 N ATOM 0 H GLN A 34 -5.255 -10.907 3.255 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.910 -13.654 2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.352 -12.557 3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.299 -14.077 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.205 -14.613 4.227 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.799 -13.309 5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.127 -15.191 6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.644 -16.091 6.733 1.00 0.00 H new ATOM 542 N PRO A 35 -6.353 -12.942 0.125 1.00 0.00 N ATOM 543 CA PRO A 35 -6.910 -12.434 -1.136 1.00 0.00 C ATOM 544 C PRO A 35 -8.388 -12.115 -0.960 1.00 0.00 C ATOM 545 O PRO A 35 -9.203 -12.964 -0.658 1.00 0.00 O ATOM 546 CB PRO A 35 -6.679 -13.572 -2.127 1.00 0.00 C ATOM 547 CG PRO A 35 -6.504 -14.855 -1.279 1.00 0.00 C ATOM 548 CD PRO A 35 -6.070 -14.391 0.127 1.00 0.00 C ATOM 0 HA PRO A 35 -6.447 -11.508 -1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.522 -13.670 -2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.795 -13.384 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.435 -15.419 -1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.755 -15.513 -1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.629 -14.906 0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.014 -14.592 0.306 1.00 0.00 H new ATOM 556 N GLY A 36 -8.710 -10.872 -1.115 1.00 0.00 N ATOM 557 CA GLY A 36 -10.107 -10.408 -0.931 1.00 0.00 C ATOM 558 C GLY A 36 -10.127 -9.542 0.324 1.00 0.00 C ATOM 559 O GLY A 36 -11.130 -9.415 0.997 1.00 0.00 O ATOM 0 H GLY A 36 -8.049 -10.137 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.442 -9.838 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.784 -11.256 -0.826 1.00 0.00 H new ATOM 563 N GLU A 37 -9.000 -8.959 0.648 1.00 0.00 N ATOM 564 CA GLU A 37 -8.914 -8.111 1.867 1.00 0.00 C ATOM 565 C GLU A 37 -8.423 -6.719 1.481 1.00 0.00 C ATOM 566 O GLU A 37 -8.265 -6.417 0.319 1.00 0.00 O ATOM 567 CB GLU A 37 -7.934 -8.746 2.849 1.00 0.00 C ATOM 568 CG GLU A 37 -8.687 -9.701 3.778 1.00 0.00 C ATOM 569 CD GLU A 37 -9.279 -10.849 2.958 1.00 0.00 C ATOM 570 OE1 GLU A 37 -8.580 -11.357 2.096 1.00 0.00 O ATOM 571 OE2 GLU A 37 -10.422 -11.199 3.204 1.00 0.00 O ATOM 0 H GLU A 37 -8.134 -9.037 0.115 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.897 -8.031 2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.158 -9.286 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.435 -7.972 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.012 -10.093 4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.480 -9.167 4.301 1.00 0.00 H new ATOM 578 N THR A 38 -8.180 -5.866 2.439 1.00 0.00 N ATOM 579 CA THR A 38 -7.702 -4.499 2.098 1.00 0.00 C ATOM 580 C THR A 38 -6.535 -4.097 3.003 1.00 0.00 C ATOM 581 O THR A 38 -6.423 -4.534 4.132 1.00 0.00 O ATOM 582 CB THR A 38 -8.850 -3.504 2.261 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.723 -3.956 3.287 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.613 -3.403 0.941 1.00 0.00 C ATOM 0 H THR A 38 -8.291 -6.056 3.435 1.00 0.00 H new ATOM 0 HA THR A 38 -7.356 -4.493 1.064 1.00 0.00 H new ATOM 0 HB THR A 38 -8.457 -2.524 2.531 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.459 -3.318 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.434 -2.695 1.049 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.939 -3.060 0.156 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.011 -4.382 0.675 1.00 0.00 H new ATOM 592 N LEU A 39 -5.662 -3.266 2.501 1.00 0.00 N ATOM 593 CA LEU A 39 -4.486 -2.815 3.298 1.00 0.00 C ATOM 594 C LEU A 39 -4.233 -1.332 3.004 1.00 0.00 C ATOM 595 O LEU A 39 -3.906 -0.963 1.894 1.00 0.00 O ATOM 596 CB LEU A 39 -3.258 -3.633 2.878 1.00 0.00 C ATOM 597 CG LEU A 39 -1.981 -2.999 3.439 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.666 -3.593 4.809 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.817 -3.280 2.486 1.00 0.00 C ATOM 0 H LEU A 39 -5.715 -2.876 1.560 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.674 -2.955 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.353 -4.657 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.200 -3.683 1.791 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.127 -1.923 3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.757 -3.138 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.494 -3.397 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.522 -4.669 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.094 -2.830 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.678 -4.357 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.037 -2.853 1.507 1.00 0.00 H new ATOM 611 N LEU A 40 -4.358 -0.481 3.983 1.00 0.00 N ATOM 612 CA LEU A 40 -4.100 0.962 3.741 1.00 0.00 C ATOM 613 C LEU A 40 -2.616 1.212 3.971 1.00 0.00 C ATOM 614 O LEU A 40 -2.006 0.606 4.827 1.00 0.00 O ATOM 615 CB LEU A 40 -4.928 1.811 4.710 1.00 0.00 C ATOM 616 CG LEU A 40 -4.523 3.281 4.581 1.00 0.00 C ATOM 617 CD1 LEU A 40 -5.360 3.949 3.490 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.765 3.993 5.914 1.00 0.00 C ATOM 0 H LEU A 40 -4.627 -0.723 4.937 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.380 1.234 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.990 1.696 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.772 1.469 5.733 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.467 3.345 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.071 4.996 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.191 3.442 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.416 3.886 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.477 5.040 5.825 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.821 3.928 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.169 3.518 6.693 1.00 0.00 H new ATOM 630 N ILE A 41 -2.018 2.068 3.201 1.00 0.00 N ATOM 631 CA ILE A 41 -0.565 2.306 3.378 1.00 0.00 C ATOM 632 C ILE A 41 -0.257 3.801 3.371 1.00 0.00 C ATOM 633 O ILE A 41 -0.911 4.580 2.710 1.00 0.00 O ATOM 634 CB ILE A 41 0.179 1.634 2.226 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.427 0.241 1.985 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.667 1.524 2.580 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.566 -0.640 1.223 1.00 0.00 C ATOM 0 H ILE A 41 -2.467 2.610 2.462 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.248 1.893 4.336 1.00 0.00 H new ATOM 0 HB ILE A 41 0.081 2.225 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.680 -0.224 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.354 0.332 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.202 1.045 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.076 2.521 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.782 0.928 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.127 -1.624 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.798 -0.180 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.481 -0.744 1.806 1.00 0.00 H new ATOM 649 N ILE A 42 0.763 4.199 4.078 1.00 0.00 N ATOM 650 CA ILE A 42 1.159 5.613 4.093 1.00 0.00 C ATOM 651 C ILE A 42 2.597 5.655 3.644 1.00 0.00 C ATOM 652 O ILE A 42 3.327 4.700 3.803 1.00 0.00 O ATOM 653 CB ILE A 42 1.055 6.177 5.499 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.338 5.867 6.052 1.00 0.00 C ATOM 655 CG2 ILE A 42 1.289 7.694 5.450 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.756 6.966 7.016 1.00 0.00 C ATOM 0 H ILE A 42 1.342 3.586 4.652 1.00 0.00 H new ATOM 0 HA ILE A 42 0.513 6.204 3.445 1.00 0.00 H new ATOM 0 HB ILE A 42 1.806 5.726 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.057 5.792 5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.333 4.904 6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.216 8.106 6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.281 7.896 5.046 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.536 8.158 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.748 6.746 7.410 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.042 7.020 7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.778 7.921 6.491 1.00 0.00 H new ATOM 668 N ALA A 43 3.019 6.724 3.082 1.00 0.00 N ATOM 669 CA ALA A 43 4.418 6.777 2.627 1.00 0.00 C ATOM 670 C ALA A 43 4.821 8.216 2.406 1.00 0.00 C ATOM 671 O ALA A 43 4.194 8.939 1.668 1.00 0.00 O ATOM 672 CB ALA A 43 4.560 6.000 1.318 1.00 0.00 C ATOM 0 H ALA A 43 2.465 7.564 2.915 1.00 0.00 H new ATOM 0 HA ALA A 43 5.063 6.331 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.596 6.040 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.270 4.962 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.915 6.444 0.560 1.00 0.00 H new ATOM 678 N ASP A 44 5.895 8.622 2.985 1.00 0.00 N ATOM 679 CA ASP A 44 6.364 9.995 2.742 1.00 0.00 C ATOM 680 C ASP A 44 7.508 9.851 1.771 1.00 0.00 C ATOM 681 O ASP A 44 7.813 10.743 1.004 1.00 0.00 O ATOM 682 CB ASP A 44 6.811 10.685 4.037 1.00 0.00 C ATOM 683 CG ASP A 44 8.055 10.017 4.615 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.939 9.672 3.849 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.107 9.871 5.825 1.00 0.00 O ATOM 0 H ASP A 44 6.470 8.065 3.616 1.00 0.00 H new ATOM 0 HA ASP A 44 5.568 10.625 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.018 11.737 3.839 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.003 10.651 4.768 1.00 0.00 H new ATOM 690 N ASP A 45 8.119 8.693 1.761 1.00 0.00 N ATOM 691 CA ASP A 45 9.207 8.468 0.792 1.00 0.00 C ATOM 692 C ASP A 45 8.610 8.611 -0.616 1.00 0.00 C ATOM 693 O ASP A 45 7.488 8.210 -0.848 1.00 0.00 O ATOM 694 CB ASP A 45 9.741 7.075 1.029 1.00 0.00 C ATOM 695 CG ASP A 45 10.397 6.513 -0.234 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.547 6.839 -0.475 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.743 5.760 -0.932 1.00 0.00 O ATOM 0 H ASP A 45 7.907 7.909 2.378 1.00 0.00 H new ATOM 0 HA ASP A 45 10.023 9.182 0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.467 7.094 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.929 6.419 1.343 1.00 0.00 H new ATOM 702 N PRO A 46 9.362 9.201 -1.506 1.00 0.00 N ATOM 703 CA PRO A 46 8.913 9.437 -2.890 1.00 0.00 C ATOM 704 C PRO A 46 9.012 8.153 -3.707 1.00 0.00 C ATOM 705 O PRO A 46 8.397 8.009 -4.745 1.00 0.00 O ATOM 706 CB PRO A 46 9.894 10.490 -3.408 1.00 0.00 C ATOM 707 CG PRO A 46 11.158 10.385 -2.522 1.00 0.00 C ATOM 708 CD PRO A 46 10.729 9.675 -1.224 1.00 0.00 C ATOM 0 HA PRO A 46 7.874 9.759 -2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.138 10.311 -4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.460 11.488 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.942 9.823 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.563 11.374 -2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.396 8.847 -0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.747 10.356 -0.373 1.00 0.00 H new ATOM 716 N ALA A 47 9.790 7.225 -3.243 1.00 0.00 N ATOM 717 CA ALA A 47 9.949 5.940 -3.986 1.00 0.00 C ATOM 718 C ALA A 47 8.873 4.946 -3.551 1.00 0.00 C ATOM 719 O ALA A 47 8.787 3.850 -4.068 1.00 0.00 O ATOM 720 CB ALA A 47 11.333 5.354 -3.704 1.00 0.00 C ATOM 0 H ALA A 47 10.327 7.295 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 47 9.845 6.131 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.448 4.416 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.099 6.058 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.439 5.170 -2.635 1.00 0.00 H new ATOM 726 N THR A 48 8.054 5.309 -2.605 1.00 0.00 N ATOM 727 CA THR A 48 6.991 4.372 -2.149 1.00 0.00 C ATOM 728 C THR A 48 5.754 4.551 -3.024 1.00 0.00 C ATOM 729 O THR A 48 5.113 3.597 -3.416 1.00 0.00 O ATOM 730 CB THR A 48 6.629 4.678 -0.696 1.00 0.00 C ATOM 731 OG1 THR A 48 6.588 6.087 -0.508 1.00 0.00 O ATOM 732 CG2 THR A 48 7.679 4.061 0.225 1.00 0.00 C ATOM 0 H THR A 48 8.074 6.211 -2.129 1.00 0.00 H new ATOM 0 HA THR A 48 7.352 3.346 -2.226 1.00 0.00 H new ATOM 0 HB THR A 48 5.652 4.256 -0.461 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.502 6.435 -0.442 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.425 4.277 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.706 2.982 0.075 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.657 4.483 -0.004 1.00 0.00 H new ATOM 740 N THR A 49 5.414 5.770 -3.336 1.00 0.00 N ATOM 741 CA THR A 49 4.215 6.004 -4.190 1.00 0.00 C ATOM 742 C THR A 49 4.365 5.199 -5.472 1.00 0.00 C ATOM 743 O THR A 49 3.403 4.732 -6.044 1.00 0.00 O ATOM 744 CB THR A 49 4.093 7.486 -4.565 1.00 0.00 C ATOM 745 OG1 THR A 49 4.785 7.718 -5.784 1.00 0.00 O ATOM 746 CG2 THR A 49 4.698 8.364 -3.472 1.00 0.00 C ATOM 0 H THR A 49 5.910 6.610 -3.039 1.00 0.00 H new ATOM 0 HA THR A 49 3.327 5.702 -3.635 1.00 0.00 H new ATOM 0 HB THR A 49 3.038 7.736 -4.677 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.384 8.487 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.603 9.413 -3.754 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.171 8.191 -2.533 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.752 8.116 -3.348 1.00 0.00 H new ATOM 754 N ARG A 50 5.567 5.066 -5.949 1.00 0.00 N ATOM 755 CA ARG A 50 5.769 4.319 -7.224 1.00 0.00 C ATOM 756 C ARG A 50 6.167 2.861 -6.978 1.00 0.00 C ATOM 757 O ARG A 50 5.785 1.975 -7.714 1.00 0.00 O ATOM 758 CB ARG A 50 6.872 5.002 -8.031 1.00 0.00 C ATOM 759 CG ARG A 50 6.323 6.281 -8.667 1.00 0.00 C ATOM 760 CD ARG A 50 7.481 7.224 -8.999 1.00 0.00 C ATOM 761 NE ARG A 50 7.028 8.637 -8.853 1.00 0.00 N ATOM 762 CZ ARG A 50 5.837 8.986 -9.257 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.498 8.826 -10.507 1.00 0.00 N ATOM 764 NH2 ARG A 50 4.984 9.496 -8.410 1.00 0.00 N ATOM 0 H ARG A 50 6.414 5.437 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 50 4.824 4.324 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.717 5.239 -7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.241 4.328 -8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.766 6.039 -9.572 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.627 6.769 -7.985 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.324 7.030 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.829 7.046 -10.016 1.00 0.00 H new ATOM 0 HE ARG A 50 7.649 9.331 -8.437 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.164 8.428 -11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.567 9.099 -10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.249 9.622 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.053 9.769 -8.725 1.00 0.00 H new ATOM 778 N ASP A 51 6.969 2.609 -5.989 1.00 0.00 N ATOM 779 CA ASP A 51 7.434 1.211 -5.747 1.00 0.00 C ATOM 780 C ASP A 51 6.431 0.392 -4.924 1.00 0.00 C ATOM 781 O ASP A 51 6.120 -0.730 -5.265 1.00 0.00 O ATOM 782 CB ASP A 51 8.767 1.260 -4.999 1.00 0.00 C ATOM 783 CG ASP A 51 9.768 2.101 -5.794 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.328 2.894 -6.611 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.956 1.939 -5.572 1.00 0.00 O ATOM 0 H ASP A 51 7.326 3.306 -5.335 1.00 0.00 H new ATOM 0 HA ASP A 51 7.539 0.723 -6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.624 1.688 -4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.154 0.251 -4.858 1.00 0.00 H new ATOM 790 N ILE A 52 5.949 0.916 -3.835 1.00 0.00 N ATOM 791 CA ILE A 52 5.003 0.127 -2.987 1.00 0.00 C ATOM 792 C ILE A 52 3.862 -0.455 -3.820 1.00 0.00 C ATOM 793 O ILE A 52 3.559 -1.625 -3.697 1.00 0.00 O ATOM 794 CB ILE A 52 4.467 1.011 -1.852 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.383 0.860 -0.641 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.040 0.603 -1.461 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.750 1.547 0.567 1.00 0.00 C ATOM 0 H ILE A 52 6.165 1.852 -3.492 1.00 0.00 H new ATOM 0 HA ILE A 52 5.543 -0.715 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 52 4.445 2.046 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.548 -0.196 -0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.358 1.299 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.686 1.246 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.382 0.707 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.037 -0.434 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.405 1.439 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.607 2.606 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.785 1.088 0.783 1.00 0.00 H new ATOM 809 N PRO A 53 3.259 0.350 -4.638 1.00 0.00 N ATOM 810 CA PRO A 53 2.156 -0.114 -5.477 1.00 0.00 C ATOM 811 C PRO A 53 2.687 -0.993 -6.590 1.00 0.00 C ATOM 812 O PRO A 53 2.219 -2.088 -6.791 1.00 0.00 O ATOM 813 CB PRO A 53 1.533 1.162 -6.008 1.00 0.00 C ATOM 814 CG PRO A 53 2.600 2.269 -5.871 1.00 0.00 C ATOM 815 CD PRO A 53 3.615 1.771 -4.824 1.00 0.00 C ATOM 0 HA PRO A 53 1.427 -0.721 -4.941 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.232 1.041 -7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.636 1.418 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.089 2.457 -6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.146 3.208 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.641 1.884 -5.175 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.534 2.329 -3.891 1.00 0.00 H new ATOM 823 N GLY A 54 3.671 -0.542 -7.302 1.00 0.00 N ATOM 824 CA GLY A 54 4.225 -1.396 -8.380 1.00 0.00 C ATOM 825 C GLY A 54 4.463 -2.785 -7.806 1.00 0.00 C ATOM 826 O GLY A 54 4.435 -3.774 -8.513 1.00 0.00 O ATOM 0 H GLY A 54 4.113 0.370 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.533 -1.445 -9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.157 -0.975 -8.758 1.00 0.00 H new ATOM 830 N PHE A 55 4.669 -2.877 -6.519 1.00 0.00 N ATOM 831 CA PHE A 55 4.870 -4.217 -5.914 1.00 0.00 C ATOM 832 C PHE A 55 3.511 -4.913 -5.796 1.00 0.00 C ATOM 833 O PHE A 55 3.340 -6.032 -6.236 1.00 0.00 O ATOM 834 CB PHE A 55 5.515 -4.073 -4.524 1.00 0.00 C ATOM 835 CG PHE A 55 5.043 -5.193 -3.620 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.016 -6.513 -4.090 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.601 -4.908 -2.329 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.546 -7.539 -3.271 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.138 -5.939 -1.510 1.00 0.00 C ATOM 840 CZ PHE A 55 4.107 -7.252 -1.981 1.00 0.00 C ATOM 0 H PHE A 55 4.706 -2.090 -5.871 1.00 0.00 H new ATOM 0 HA PHE A 55 5.533 -4.812 -6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.601 -4.098 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.253 -3.108 -4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.360 -6.736 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.617 -3.892 -1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.522 -8.555 -3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.802 -5.719 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.743 -8.045 -1.345 1.00 0.00 H new ATOM 850 N CYS A 56 2.547 -4.273 -5.193 1.00 0.00 N ATOM 851 CA CYS A 56 1.227 -4.930 -5.046 1.00 0.00 C ATOM 852 C CYS A 56 0.753 -5.433 -6.402 1.00 0.00 C ATOM 853 O CYS A 56 0.170 -6.488 -6.511 1.00 0.00 O ATOM 854 CB CYS A 56 0.234 -3.928 -4.480 1.00 0.00 C ATOM 855 SG CYS A 56 0.543 -3.753 -2.706 1.00 0.00 S ATOM 0 H CYS A 56 2.618 -3.334 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 56 1.308 -5.779 -4.367 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.341 -2.965 -4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.787 -4.267 -4.655 1.00 0.00 H new ATOM 0 HG CYS A 56 1.736 -3.271 -2.519 1.00 0.00 H new ATOM 861 N THR A 57 1.007 -4.696 -7.441 1.00 0.00 N ATOM 862 CA THR A 57 0.570 -5.152 -8.787 1.00 0.00 C ATOM 863 C THR A 57 1.256 -6.478 -9.121 1.00 0.00 C ATOM 864 O THR A 57 0.667 -7.366 -9.703 1.00 0.00 O ATOM 865 CB THR A 57 0.950 -4.107 -9.837 1.00 0.00 C ATOM 866 OG1 THR A 57 0.429 -2.842 -9.456 1.00 0.00 O ATOM 867 CG2 THR A 57 0.368 -4.517 -11.189 1.00 0.00 C ATOM 0 H THR A 57 1.496 -3.801 -7.419 1.00 0.00 H new ATOM 0 HA THR A 57 -0.512 -5.287 -8.787 1.00 0.00 H new ATOM 0 HB THR A 57 2.035 -4.041 -9.913 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.674 -2.172 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.636 -3.775 -11.941 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.769 -5.488 -11.478 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.718 -4.581 -11.114 1.00 0.00 H new ATOM 875 N PHE A 58 2.504 -6.614 -8.762 1.00 0.00 N ATOM 876 CA PHE A 58 3.235 -7.878 -9.066 1.00 0.00 C ATOM 877 C PHE A 58 2.624 -9.047 -8.286 1.00 0.00 C ATOM 878 O PHE A 58 2.591 -10.165 -8.761 1.00 0.00 O ATOM 879 CB PHE A 58 4.706 -7.720 -8.670 1.00 0.00 C ATOM 880 CG PHE A 58 5.531 -8.782 -9.359 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.483 -10.107 -8.910 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.345 -8.440 -10.446 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.249 -11.091 -9.547 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.110 -9.425 -11.084 1.00 0.00 C ATOM 885 CZ PHE A 58 7.063 -10.750 -10.633 1.00 0.00 C ATOM 0 H PHE A 58 3.049 -5.905 -8.272 1.00 0.00 H new ATOM 0 HA PHE A 58 3.156 -8.084 -10.133 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.064 -6.729 -8.949 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.814 -7.806 -7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.855 -10.370 -8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.383 -7.418 -10.792 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.212 -12.113 -9.200 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.736 -9.162 -11.924 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.655 -11.509 -11.123 1.00 0.00 H new ATOM 895 N MET A 59 2.154 -8.811 -7.090 1.00 0.00 N ATOM 896 CA MET A 59 1.568 -9.927 -6.291 1.00 0.00 C ATOM 897 C MET A 59 0.121 -10.206 -6.711 1.00 0.00 C ATOM 898 O MET A 59 -0.540 -11.050 -6.140 1.00 0.00 O ATOM 899 CB MET A 59 1.607 -9.572 -4.815 1.00 0.00 C ATOM 900 CG MET A 59 2.907 -10.083 -4.201 1.00 0.00 C ATOM 901 SD MET A 59 2.827 -11.882 -4.021 1.00 0.00 S ATOM 902 CE MET A 59 3.832 -12.296 -5.468 1.00 0.00 C ATOM 0 H MET A 59 2.150 -7.899 -6.633 1.00 0.00 H new ATOM 0 HA MET A 59 2.159 -10.825 -6.473 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.533 -8.492 -4.688 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.752 -10.013 -4.302 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.752 -9.808 -4.832 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.070 -9.617 -3.229 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.213 -12.805 -6.207 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.239 -11.383 -5.902 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.650 -12.950 -5.168 1.00 0.00 H new ATOM 912 N GLU A 60 -0.375 -9.515 -7.703 1.00 0.00 N ATOM 913 CA GLU A 60 -1.779 -9.757 -8.158 1.00 0.00 C ATOM 914 C GLU A 60 -2.770 -9.054 -7.223 1.00 0.00 C ATOM 915 O GLU A 60 -3.922 -9.431 -7.131 1.00 0.00 O ATOM 916 CB GLU A 60 -2.067 -11.260 -8.165 1.00 0.00 C ATOM 917 CG GLU A 60 -2.688 -11.657 -9.506 1.00 0.00 C ATOM 918 CD GLU A 60 -2.803 -13.181 -9.583 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.930 -13.848 -9.053 1.00 0.00 O ATOM 920 OE2 GLU A 60 -3.763 -13.654 -10.169 1.00 0.00 O ATOM 0 H GLU A 60 0.129 -8.794 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.894 -9.356 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.145 -11.818 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.744 -11.515 -7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.673 -11.201 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.075 -11.286 -10.327 1.00 0.00 H new ATOM 927 N HIS A 61 -2.336 -8.037 -6.534 1.00 0.00 N ATOM 928 CA HIS A 61 -3.245 -7.310 -5.614 1.00 0.00 C ATOM 929 C HIS A 61 -3.826 -6.102 -6.340 1.00 0.00 C ATOM 930 O HIS A 61 -3.466 -5.811 -7.463 1.00 0.00 O ATOM 931 CB HIS A 61 -2.445 -6.843 -4.405 1.00 0.00 C ATOM 932 CG HIS A 61 -1.779 -8.032 -3.790 1.00 0.00 C ATOM 933 ND1 HIS A 61 -2.130 -9.321 -4.144 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.781 -8.154 -2.858 1.00 0.00 C ATOM 935 CE1 HIS A 61 -1.359 -10.158 -3.439 1.00 0.00 C ATOM 936 NE2 HIS A 61 -0.518 -9.503 -2.634 1.00 0.00 N ATOM 0 H HIS A 61 -1.382 -7.677 -6.571 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.056 -7.962 -5.290 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.701 -6.105 -4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.100 -6.359 -3.681 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.846 -9.586 -4.820 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.277 -7.331 -2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.411 -11.234 -3.512 1.00 0.00 H new ATOM 944 N GLU A 62 -4.739 -5.406 -5.725 1.00 0.00 N ATOM 945 CA GLU A 62 -5.350 -4.238 -6.406 1.00 0.00 C ATOM 946 C GLU A 62 -5.165 -2.970 -5.591 1.00 0.00 C ATOM 947 O GLU A 62 -5.257 -2.974 -4.383 1.00 0.00 O ATOM 948 CB GLU A 62 -6.844 -4.477 -6.569 1.00 0.00 C ATOM 949 CG GLU A 62 -7.123 -5.136 -7.920 1.00 0.00 C ATOM 950 CD GLU A 62 -7.808 -4.131 -8.847 1.00 0.00 C ATOM 951 OE1 GLU A 62 -7.761 -2.950 -8.545 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.368 -4.558 -9.842 1.00 0.00 O ATOM 0 H GLU A 62 -5.086 -5.596 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.862 -4.119 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.209 -5.113 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.382 -3.532 -6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.191 -5.482 -8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.757 -6.013 -7.785 1.00 0.00 H new ATOM 959 N LEU A 63 -4.974 -1.878 -6.261 1.00 0.00 N ATOM 960 CA LEU A 63 -4.855 -0.573 -5.561 1.00 0.00 C ATOM 961 C LEU A 63 -6.286 -0.098 -5.339 1.00 0.00 C ATOM 962 O LEU A 63 -6.947 0.344 -6.259 1.00 0.00 O ATOM 963 CB LEU A 63 -4.074 0.413 -6.450 1.00 0.00 C ATOM 964 CG LEU A 63 -4.501 1.863 -6.177 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.931 2.329 -4.837 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.966 2.761 -7.294 1.00 0.00 C ATOM 0 H LEU A 63 -4.894 -1.830 -7.277 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.319 -0.650 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.005 0.305 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.243 0.173 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.589 1.920 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.237 3.358 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.306 1.688 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.843 2.274 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.265 3.792 -7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.878 2.698 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.373 2.433 -8.251 1.00 0.00 H new ATOM 978 N VAL A 64 -6.801 -0.227 -4.150 1.00 0.00 N ATOM 979 CA VAL A 64 -8.193 0.165 -3.924 1.00 0.00 C ATOM 980 C VAL A 64 -8.334 1.694 -3.972 1.00 0.00 C ATOM 981 O VAL A 64 -9.187 2.207 -4.669 1.00 0.00 O ATOM 982 CB VAL A 64 -8.612 -0.425 -2.587 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.965 0.109 -2.205 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.715 -1.943 -2.718 1.00 0.00 C ATOM 0 H VAL A 64 -6.308 -0.588 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.850 -0.217 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.875 -0.158 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.266 -0.314 -1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.918 1.195 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.693 -0.167 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.015 -2.371 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.457 -2.193 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.747 -2.350 -3.010 1.00 0.00 H new ATOM 994 N ALA A 65 -7.516 2.442 -3.271 1.00 0.00 N ATOM 995 CA ALA A 65 -7.664 3.933 -3.354 1.00 0.00 C ATOM 996 C ALA A 65 -6.300 4.625 -3.208 1.00 0.00 C ATOM 997 O ALA A 65 -5.547 4.341 -2.332 1.00 0.00 O ATOM 998 CB ALA A 65 -8.596 4.411 -2.239 1.00 0.00 C ATOM 0 H ALA A 65 -6.773 2.100 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.082 4.189 -4.328 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.706 5.494 -2.296 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.572 3.940 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.175 4.140 -1.271 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.953 5.532 -4.059 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.637 6.179 -3.892 1.00 0.00 C ATOM 1006 C LYS A 66 -4.790 7.520 -3.202 1.00 0.00 C ATOM 1007 O LYS A 66 -5.851 8.111 -3.165 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.011 6.407 -5.245 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.438 5.295 -6.174 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.699 5.702 -6.940 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.331 6.043 -8.385 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.426 6.848 -8.999 1.00 0.00 N ATOM 0 H LYS A 66 -6.512 5.851 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.007 5.527 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.320 7.373 -5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.925 6.430 -5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.635 5.068 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.628 4.386 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.427 4.891 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.167 6.562 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.395 6.602 -8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.172 5.129 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.177 7.080 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.309 6.299 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.556 7.726 -8.458 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.716 8.000 -2.669 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.736 9.311 -1.982 1.00 0.00 C ATOM 1028 C GLU A 67 -2.490 10.107 -2.373 1.00 0.00 C ATOM 1029 O GLU A 67 -1.382 9.770 -2.011 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.758 9.085 -0.484 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.204 9.037 0.013 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.396 10.067 1.128 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.692 11.063 1.115 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -6.245 9.843 1.974 1.00 0.00 O ATOM 0 H GLU A 67 -2.809 7.534 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.623 9.872 -2.275 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.249 8.152 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.217 9.885 0.021 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.889 9.244 -0.809 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.440 8.039 0.381 1.00 0.00 H new ATOM 1041 N THR A 68 -2.672 11.165 -3.109 1.00 0.00 N ATOM 1042 CA THR A 68 -1.517 12.002 -3.535 1.00 0.00 C ATOM 1043 C THR A 68 -1.910 13.467 -3.375 1.00 0.00 C ATOM 1044 O THR A 68 -1.492 14.324 -4.127 1.00 0.00 O ATOM 1045 CB THR A 68 -1.192 11.711 -5.002 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.213 12.252 -5.828 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.108 10.198 -5.213 1.00 0.00 C ATOM 0 H THR A 68 -3.581 11.490 -3.438 1.00 0.00 H new ATOM 0 HA THR A 68 -0.639 11.780 -2.928 1.00 0.00 H new ATOM 0 HB THR A 68 -0.237 12.167 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.005 12.068 -6.768 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.877 9.989 -6.257 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.324 9.785 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.063 9.741 -4.954 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.723 13.755 -2.394 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.161 15.164 -2.173 1.00 0.00 C ATOM 1057 C ASP A 69 -2.047 15.956 -1.492 1.00 0.00 C ATOM 1058 O ASP A 69 -2.209 17.106 -1.136 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.402 15.173 -1.284 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.522 14.383 -1.962 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.566 14.381 -3.181 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.319 13.792 -1.250 1.00 0.00 O ATOM 0 H ASP A 69 -3.103 13.075 -1.736 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.391 15.623 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.170 14.735 -0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.724 16.198 -1.102 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.924 15.341 -1.311 1.00 0.00 N ATOM 1068 CA GLY A 70 0.214 16.012 -0.663 1.00 0.00 C ATOM 1069 C GLY A 70 0.741 15.121 0.439 1.00 0.00 C ATOM 1070 O GLY A 70 0.020 14.673 1.306 1.00 0.00 O ATOM 0 H GLY A 70 -0.746 14.377 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.998 16.214 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.097 16.974 -0.255 1.00 0.00 H new ATOM 1074 N LEU A 71 1.996 14.862 0.375 1.00 0.00 N ATOM 1075 CA LEU A 71 2.659 13.987 1.375 1.00 0.00 C ATOM 1076 C LEU A 71 2.014 14.154 2.759 1.00 0.00 C ATOM 1077 O LEU A 71 1.592 15.232 3.127 1.00 0.00 O ATOM 1078 CB LEU A 71 4.138 14.349 1.476 1.00 0.00 C ATOM 1079 CG LEU A 71 4.824 14.085 0.147 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.970 15.079 -0.050 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.381 12.661 0.146 1.00 0.00 C ATOM 0 H LEU A 71 2.618 15.226 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 71 2.545 12.953 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.247 15.398 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.612 13.763 2.263 1.00 0.00 H new ATOM 0 HG LEU A 71 4.105 14.202 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.459 14.886 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.575 16.095 -0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.693 14.965 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.875 12.464 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.100 12.551 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.566 11.951 0.285 1.00 0.00 H new ATOM 1093 N PRO A 72 1.981 13.067 3.481 1.00 0.00 N ATOM 1094 CA PRO A 72 2.502 11.788 2.993 1.00 0.00 C ATOM 1095 C PRO A 72 1.448 11.123 2.108 1.00 0.00 C ATOM 1096 O PRO A 72 0.260 11.284 2.304 1.00 0.00 O ATOM 1097 CB PRO A 72 2.706 10.968 4.251 1.00 0.00 C ATOM 1098 CG PRO A 72 1.741 11.563 5.294 1.00 0.00 C ATOM 1099 CD PRO A 72 1.438 13.009 4.848 1.00 0.00 C ATOM 0 HA PRO A 72 3.415 11.891 2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.489 9.915 4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.739 11.027 4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.824 10.976 5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.190 11.551 6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.368 13.218 4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.916 13.739 5.501 1.00 0.00 H new ATOM 1107 N TYR A 73 1.879 10.378 1.147 1.00 0.00 N ATOM 1108 CA TYR A 73 0.924 9.685 0.239 1.00 0.00 C ATOM 1109 C TYR A 73 0.244 8.533 0.953 1.00 0.00 C ATOM 1110 O TYR A 73 0.702 8.066 1.972 1.00 0.00 O ATOM 1111 CB TYR A 73 1.657 9.047 -0.911 1.00 0.00 C ATOM 1112 CG TYR A 73 2.766 9.914 -1.392 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.509 11.013 -2.210 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.062 9.573 -1.051 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.570 11.787 -2.680 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.132 10.326 -1.522 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.890 11.443 -2.340 1.00 0.00 C ATOM 1118 OH TYR A 73 5.945 12.197 -2.812 1.00 0.00 O ATOM 0 H TYR A 73 2.864 10.212 0.942 1.00 0.00 H new ATOM 0 HA TYR A 73 0.210 10.439 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.056 8.081 -0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.961 8.856 -1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.493 11.264 -2.479 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.244 8.718 -0.416 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.378 12.648 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.144 10.054 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 73 5.655 13.125 -2.933 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.806 8.016 0.379 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.461 6.846 0.972 1.00 0.00 C ATOM 1130 C ARG A 74 -2.032 6.026 -0.152 1.00 0.00 C ATOM 1131 O ARG A 74 -2.359 6.534 -1.189 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.554 7.270 1.924 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.943 7.475 3.294 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.710 8.559 4.052 1.00 0.00 C ATOM 1135 NE ARG A 74 -3.150 8.025 5.372 1.00 0.00 N ATOM 1136 CZ ARG A 74 -3.794 8.795 6.207 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -4.458 9.829 5.764 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -3.774 8.531 7.485 1.00 0.00 N ATOM 0 H ARG A 74 -1.232 8.364 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.741 6.261 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.023 8.190 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.335 6.511 1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.967 6.541 3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.896 7.761 3.195 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.077 9.435 4.195 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.574 8.881 3.472 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.948 7.057 5.623 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.474 10.035 4.765 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.961 10.430 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.255 7.724 7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.277 9.132 8.138 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.152 4.766 0.035 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.691 3.932 -1.051 1.00 0.00 C ATOM 1154 C TYR A 75 -3.332 2.702 -0.460 1.00 0.00 C ATOM 1155 O TYR A 75 -2.690 1.932 0.225 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.583 3.473 -1.981 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.458 4.467 -2.002 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.564 5.667 -2.705 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.712 4.145 -1.348 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.522 6.547 -2.753 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.803 5.022 -1.376 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.709 6.224 -2.086 1.00 0.00 C ATOM 1163 OH TYR A 75 2.788 7.080 -2.142 1.00 0.00 O ATOM 0 H TYR A 75 -1.902 4.270 0.891 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.415 4.527 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.210 2.501 -1.657 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.978 3.343 -2.988 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.484 5.917 -3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.787 3.211 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.445 7.473 -3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.713 4.772 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 75 3.489 6.762 -1.536 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.570 2.471 -0.735 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.171 1.269 -0.206 1.00 0.00 C ATOM 1175 C LEU A 76 -4.929 0.176 -1.229 1.00 0.00 C ATOM 1176 O LEU A 76 -4.833 0.456 -2.407 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.664 1.406 -0.046 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.198 0.084 0.470 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.844 -0.073 1.947 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.695 0.067 0.275 1.00 0.00 C ATOM 0 H LEU A 76 -5.177 3.065 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.738 1.057 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.901 2.211 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.129 1.660 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.751 -0.747 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.229 -1.024 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.761 -0.050 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.289 0.743 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.099 -0.877 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.143 0.892 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.925 0.174 -0.785 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.845 -1.049 -0.836 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.631 -2.090 -1.848 1.00 0.00 C ATOM 1194 C ILE A 77 -5.390 -3.354 -1.462 1.00 0.00 C ATOM 1195 O ILE A 77 -5.027 -4.043 -0.529 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.142 -2.362 -1.923 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.412 -1.016 -1.988 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.830 -3.199 -3.166 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.969 -1.216 -2.450 1.00 0.00 C ATOM 0 H ILE A 77 -4.914 -1.371 0.129 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.000 -1.764 -2.821 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.812 -2.919 -1.046 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.931 -0.346 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.424 -0.540 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.758 -3.392 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.367 -4.146 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.142 -2.656 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.463 -0.251 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.449 -1.868 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.964 -1.671 -3.440 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.448 -3.669 -2.163 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.211 -4.895 -1.800 1.00 0.00 C ATOM 1213 C ARG A 78 -6.398 -6.134 -2.197 1.00 0.00 C ATOM 1214 O ARG A 78 -6.291 -6.473 -3.358 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.555 -4.896 -2.541 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.154 -6.307 -2.548 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.596 -6.247 -3.052 1.00 0.00 C ATOM 1218 NE ARG A 78 -10.656 -6.762 -4.449 1.00 0.00 N ATOM 1219 CZ ARG A 78 -11.651 -7.519 -4.824 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -12.825 -6.992 -5.041 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -11.473 -8.802 -4.979 1.00 0.00 N ATOM 0 H ARG A 78 -6.810 -3.140 -2.957 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.393 -4.912 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.245 -4.203 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.415 -4.547 -3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.561 -6.962 -3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.126 -6.730 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.243 -6.841 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.963 -5.221 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.919 -6.523 -5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.965 -5.989 -4.918 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.603 -7.583 -5.334 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.556 -9.214 -4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.251 -9.393 -5.272 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.838 -6.824 -1.232 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.049 -8.048 -1.548 1.00 0.00 C ATOM 1237 C LYS A 79 -5.903 -8.932 -2.444 1.00 0.00 C ATOM 1238 O LYS A 79 -7.117 -8.889 -2.379 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.721 -8.792 -0.254 1.00 0.00 C ATOM 1240 CG LYS A 79 -3.584 -8.069 0.470 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.421 -7.839 -0.496 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.434 -6.384 -0.969 1.00 0.00 C ATOM 1243 NZ LYS A 79 -1.629 -5.552 -0.033 1.00 0.00 N ATOM 0 H LYS A 79 -5.895 -6.589 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.117 -7.786 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.603 -8.839 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.432 -9.819 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.938 -7.115 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.249 -8.660 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.475 -8.065 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.504 -8.511 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.026 -6.314 -1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.458 -6.014 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.623 -4.566 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.047 -5.597 0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.654 -5.912 0.000 1.00 0.00 H new ATOM 1257 N GLY A 80 -5.287 -9.720 -3.280 1.00 0.00 N ATOM 1258 CA GLY A 80 -6.070 -10.602 -4.189 1.00 0.00 C ATOM 1259 C GLY A 80 -5.129 -11.604 -4.858 1.00 0.00 C ATOM 1260 O GLY A 80 -3.965 -11.697 -4.521 1.00 0.00 O ATOM 0 H GLY A 80 -4.274 -9.791 -3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.841 -11.129 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.579 -10.004 -4.945 1.00 0.00 H new ATOM 1264 N GLY A 81 -5.624 -12.355 -5.800 1.00 0.00 N ATOM 1265 CA GLY A 81 -4.757 -13.352 -6.489 1.00 0.00 C ATOM 1266 C GLY A 81 -4.017 -14.191 -5.446 1.00 0.00 C ATOM 1267 O GLY A 81 -4.531 -14.325 -4.349 1.00 0.00 O ATOM 1268 OXT GLY A 81 -2.947 -14.686 -5.764 1.00 0.00 O ATOM 0 H GLY A 81 -6.591 -12.323 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.362 -13.996 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.042 -12.843 -7.136 1.00 0.00 H new TER 1272 GLY A 81