USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 156:sc= -3.59! (180deg=-5.93!) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.0053 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 120:sc= -0.0995 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0.688 (180deg=0.289) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 16 SER OG : rot 1:sc= 0.396 USER MOD Single : A 28 MET CE :methyl -168:sc= -0.302 (180deg=-0.679) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 1.03 (180deg=1.03) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.76) USER MOD Single : A 54 CYS SG : rot -53:sc= -0.484 USER MOD Single : A 55 ASN : amide:sc= -0.0591 K(o=-0.059,f=-3!) USER MOD Single : A 57 MET CE :methyl -159:sc= -0.195 (180deg=-0.752) USER MOD Single : A 60 THR OG1 : rot -97:sc= 1.23 USER MOD Single : A 61 MET CE :methyl 135:sc= -2.19! (180deg=-5.59!) USER MOD Single : A 64 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.33) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.680 -10.307 -4.614 1.00 0.00 N ATOM 2 CA MET A 1 -5.360 -9.123 -5.437 1.00 0.00 C ATOM 3 C MET A 1 -4.260 -8.296 -4.781 1.00 0.00 C ATOM 4 O MET A 1 -4.260 -8.101 -3.566 1.00 0.00 O ATOM 5 CB MET A 1 -6.611 -8.267 -5.636 1.00 0.00 C ATOM 6 CG MET A 1 -6.405 -7.096 -6.581 1.00 0.00 C ATOM 7 SD MET A 1 -7.888 -6.093 -6.771 1.00 0.00 S ATOM 8 CE MET A 1 -8.127 -5.548 -5.086 1.00 0.00 C ATOM 0 H1 MET A 1 -6.670 -10.583 -4.773 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.054 -11.094 -4.880 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.541 -10.079 -3.609 1.00 0.00 H new ATOM 0 HA MET A 1 -5.005 -9.464 -6.409 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.414 -8.896 -6.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.939 -7.888 -4.668 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.593 -6.471 -6.208 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.097 -7.471 -7.557 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.702 -4.622 -5.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.667 -6.313 -4.529 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.158 -5.376 -4.618 1.00 0.00 H new ATOM 20 N LYS A 2 -3.328 -7.821 -5.591 1.00 0.00 N ATOM 21 CA LYS A 2 -2.217 -7.011 -5.105 1.00 0.00 C ATOM 22 C LYS A 2 -2.620 -5.552 -4.963 1.00 0.00 C ATOM 23 O LYS A 2 -3.585 -5.099 -5.579 1.00 0.00 O ATOM 24 CB LYS A 2 -1.032 -7.093 -6.068 1.00 0.00 C ATOM 25 CG LYS A 2 -0.136 -8.309 -5.871 1.00 0.00 C ATOM 26 CD LYS A 2 -0.894 -9.614 -6.009 1.00 0.00 C ATOM 27 CE LYS A 2 0.036 -10.809 -5.928 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.711 -12.089 -5.979 1.00 0.00 N ATOM 0 H LYS A 2 -3.317 -7.983 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.934 -7.405 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.411 -7.100 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.428 -6.192 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.673 -8.283 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.324 -8.262 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.646 -9.684 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.425 -9.629 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.750 -10.771 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.612 -10.760 -5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.043 -12.884 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.374 -12.136 -5.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.241 -12.147 -6.872 1.00 0.00 H new ATOM 42 N LEU A 3 -1.867 -4.823 -4.153 1.00 0.00 N ATOM 43 CA LEU A 3 -2.013 -3.379 -4.054 1.00 0.00 C ATOM 44 C LEU A 3 -1.618 -2.734 -5.383 1.00 0.00 C ATOM 45 O LEU A 3 -2.150 -1.696 -5.772 1.00 0.00 O ATOM 46 CB LEU A 3 -1.147 -2.850 -2.901 1.00 0.00 C ATOM 47 CG LEU A 3 -1.072 -1.327 -2.756 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.454 -0.721 -2.578 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.192 -0.946 -1.580 1.00 0.00 C ATOM 0 H LEU A 3 -1.142 -5.212 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.052 -3.124 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.528 -3.265 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.134 -3.232 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.637 -0.931 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.367 0.361 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.069 -0.957 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.919 -1.132 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.151 0.140 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.606 -1.368 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.814 -1.336 -1.737 1.00 0.00 H new ATOM 61 N SER A 4 -0.702 -3.385 -6.091 1.00 0.00 N ATOM 62 CA SER A 4 -0.249 -2.907 -7.390 1.00 0.00 C ATOM 63 C SER A 4 -1.290 -3.174 -8.476 1.00 0.00 C ATOM 64 O SER A 4 -1.176 -2.668 -9.594 1.00 0.00 O ATOM 65 CB SER A 4 1.074 -3.585 -7.754 1.00 0.00 C ATOM 66 OG SER A 4 0.982 -4.990 -7.588 1.00 0.00 O ATOM 0 H SER A 4 -0.257 -4.250 -5.784 1.00 0.00 H new ATOM 0 HA SER A 4 -0.103 -1.829 -7.325 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.335 -3.353 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.874 -3.192 -7.127 1.00 0.00 H new ATOM 0 HG SER A 4 1.151 -5.433 -8.446 1.00 0.00 H new ATOM 72 N GLU A 5 -2.304 -3.971 -8.143 1.00 0.00 N ATOM 73 CA GLU A 5 -3.351 -4.309 -9.099 1.00 0.00 C ATOM 74 C GLU A 5 -4.531 -3.360 -8.967 1.00 0.00 C ATOM 75 O GLU A 5 -5.450 -3.377 -9.789 1.00 0.00 O ATOM 76 CB GLU A 5 -3.819 -5.752 -8.914 1.00 0.00 C ATOM 77 CG GLU A 5 -2.725 -6.778 -9.144 1.00 0.00 C ATOM 78 CD GLU A 5 -3.262 -8.187 -9.189 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.426 -8.806 -8.118 1.00 0.00 O ATOM 80 OE2 GLU A 5 -3.531 -8.683 -10.301 1.00 0.00 O ATOM 0 H GLU A 5 -2.421 -4.392 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.929 -4.207 -10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.212 -5.871 -7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.642 -5.950 -9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.213 -6.556 -10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.983 -6.699 -8.349 1.00 0.00 H new ATOM 87 N LEU A 6 -4.506 -2.538 -7.926 1.00 0.00 N ATOM 88 CA LEU A 6 -5.525 -1.510 -7.739 1.00 0.00 C ATOM 89 C LEU A 6 -5.375 -0.423 -8.802 1.00 0.00 C ATOM 90 O LEU A 6 -4.337 -0.333 -9.455 1.00 0.00 O ATOM 91 CB LEU A 6 -5.433 -0.923 -6.330 1.00 0.00 C ATOM 92 CG LEU A 6 -5.871 -1.881 -5.220 1.00 0.00 C ATOM 93 CD1 LEU A 6 -5.655 -1.272 -3.850 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.326 -2.252 -5.396 1.00 0.00 C ATOM 0 H LEU A 6 -3.792 -2.562 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.511 -1.960 -7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.404 -0.615 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.048 -0.024 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.258 -2.780 -5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.976 -1.977 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.597 -1.046 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.236 -0.354 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.626 -2.934 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.939 -1.352 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.463 -2.738 -6.362 1.00 0.00 H new ATOM 106 N LYS A 7 -6.405 0.394 -8.990 1.00 0.00 N ATOM 107 CA LYS A 7 -6.421 1.321 -10.121 1.00 0.00 C ATOM 108 C LYS A 7 -6.823 2.741 -9.720 1.00 0.00 C ATOM 109 O LYS A 7 -7.282 3.516 -10.562 1.00 0.00 O ATOM 110 CB LYS A 7 -7.383 0.786 -11.182 1.00 0.00 C ATOM 111 CG LYS A 7 -8.843 0.858 -10.759 1.00 0.00 C ATOM 112 CD LYS A 7 -9.703 -0.146 -11.500 1.00 0.00 C ATOM 113 CE LYS A 7 -9.528 -1.541 -10.928 1.00 0.00 C ATOM 114 NZ LYS A 7 -9.920 -1.599 -9.493 1.00 0.00 N ATOM 0 H LYS A 7 -7.227 0.436 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.406 1.385 -10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.250 1.354 -12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.127 -0.250 -11.406 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.918 0.677 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.223 1.863 -10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.750 0.149 -11.434 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.438 -0.147 -12.557 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.131 -2.247 -11.499 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.488 -1.851 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.950 -2.591 -9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.225 -1.078 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.859 -1.169 -9.372 1.00 0.00 H new ATOM 128 N ALA A 8 -6.604 3.083 -8.453 1.00 0.00 N ATOM 129 CA ALA A 8 -6.948 4.403 -7.910 1.00 0.00 C ATOM 130 C ALA A 8 -8.456 4.574 -7.772 1.00 0.00 C ATOM 131 O ALA A 8 -9.227 4.190 -8.650 1.00 0.00 O ATOM 132 CB ALA A 8 -6.348 5.528 -8.742 1.00 0.00 C ATOM 0 H ALA A 8 -6.182 2.455 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.512 4.461 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.625 6.489 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.262 5.434 -8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.727 5.468 -9.762 1.00 0.00 H new ATOM 138 N GLY A 9 -8.870 5.144 -6.651 1.00 0.00 N ATOM 139 CA GLY A 9 -10.282 5.258 -6.353 1.00 0.00 C ATOM 140 C GLY A 9 -10.798 3.987 -5.718 1.00 0.00 C ATOM 141 O GLY A 9 -11.998 3.827 -5.486 1.00 0.00 O ATOM 0 H GLY A 9 -8.250 5.531 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.450 6.100 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.837 5.464 -7.268 1.00 0.00 H new ATOM 145 N ASP A 10 -9.873 3.076 -5.444 1.00 0.00 N ATOM 146 CA ASP A 10 -10.200 1.795 -4.846 1.00 0.00 C ATOM 147 C ASP A 10 -9.849 1.805 -3.370 1.00 0.00 C ATOM 148 O ASP A 10 -8.719 2.131 -2.997 1.00 0.00 O ATOM 149 CB ASP A 10 -9.440 0.656 -5.536 1.00 0.00 C ATOM 150 CG ASP A 10 -9.755 0.519 -7.010 1.00 0.00 C ATOM 151 OD1 ASP A 10 -10.942 0.601 -7.390 1.00 0.00 O ATOM 152 OD2 ASP A 10 -8.814 0.297 -7.796 1.00 0.00 O ATOM 0 H ASP A 10 -8.879 3.207 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.270 1.630 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.369 0.821 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.676 -0.282 -5.034 1.00 0.00 H new ATOM 157 N ARG A 11 -10.817 1.460 -2.540 1.00 0.00 N ATOM 158 CA ARG A 11 -10.599 1.377 -1.107 1.00 0.00 C ATOM 159 C ARG A 11 -10.456 -0.083 -0.695 1.00 0.00 C ATOM 160 O ARG A 11 -11.368 -0.887 -0.901 1.00 0.00 O ATOM 161 CB ARG A 11 -11.757 2.038 -0.350 1.00 0.00 C ATOM 162 CG ARG A 11 -11.517 2.158 1.147 1.00 0.00 C ATOM 163 CD ARG A 11 -12.651 2.898 1.843 1.00 0.00 C ATOM 164 NE ARG A 11 -12.865 4.236 1.286 1.00 0.00 N ATOM 165 CZ ARG A 11 -12.168 5.316 1.635 1.00 0.00 C ATOM 166 NH1 ARG A 11 -11.194 5.223 2.533 1.00 0.00 N ATOM 167 NH2 ARG A 11 -12.454 6.489 1.083 1.00 0.00 N ATOM 0 H ARG A 11 -11.766 1.232 -2.836 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.681 1.908 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.929 3.032 -0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.666 1.461 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.413 1.163 1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.578 2.682 1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.570 2.318 1.753 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.429 2.981 2.907 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.597 4.348 0.584 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.977 4.322 2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.663 6.053 2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.204 6.560 0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.924 7.319 1.346 1.00 0.00 H new ATOM 181 N ALA A 12 -9.318 -0.424 -0.115 1.00 0.00 N ATOM 182 CA ALA A 12 -9.024 -1.803 0.228 1.00 0.00 C ATOM 183 C ALA A 12 -8.353 -1.894 1.593 1.00 0.00 C ATOM 184 O ALA A 12 -7.754 -0.927 2.059 1.00 0.00 O ATOM 185 CB ALA A 12 -8.137 -2.425 -0.839 1.00 0.00 C ATOM 0 H ALA A 12 -8.581 0.238 0.128 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.963 -2.354 0.276 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.921 -3.460 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.649 -2.396 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.204 -1.866 -0.908 1.00 0.00 H new ATOM 191 N GLU A 13 -8.475 -3.044 2.235 1.00 0.00 N ATOM 192 CA GLU A 13 -7.770 -3.292 3.482 1.00 0.00 C ATOM 193 C GLU A 13 -6.588 -4.216 3.228 1.00 0.00 C ATOM 194 O GLU A 13 -6.682 -5.146 2.426 1.00 0.00 O ATOM 195 CB GLU A 13 -8.692 -3.919 4.530 1.00 0.00 C ATOM 196 CG GLU A 13 -8.036 -4.037 5.898 1.00 0.00 C ATOM 197 CD GLU A 13 -8.846 -4.843 6.888 1.00 0.00 C ATOM 198 OE1 GLU A 13 -9.893 -4.348 7.348 1.00 0.00 O ATOM 199 OE2 GLU A 13 -8.424 -5.972 7.227 1.00 0.00 O ATOM 0 H GLU A 13 -9.055 -3.820 1.914 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.419 -2.334 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.597 -3.318 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.998 -4.909 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.055 -4.498 5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.874 -3.038 6.302 1.00 0.00 H new ATOM 206 N VAL A 14 -5.480 -3.952 3.900 1.00 0.00 N ATOM 207 CA VAL A 14 -4.294 -4.786 3.781 1.00 0.00 C ATOM 208 C VAL A 14 -4.466 -6.078 4.570 1.00 0.00 C ATOM 209 O VAL A 14 -4.470 -6.069 5.807 1.00 0.00 O ATOM 210 CB VAL A 14 -3.031 -4.051 4.279 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.795 -4.928 4.132 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.849 -2.740 3.532 1.00 0.00 C ATOM 0 H VAL A 14 -5.376 -3.162 4.537 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.168 -5.017 2.723 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.163 -3.831 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.920 -4.386 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.923 -5.838 4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.656 -5.188 3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.954 -2.235 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.745 -2.940 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.718 -2.103 3.698 1.00 0.00 H new ATOM 222 N THR A 15 -4.615 -7.182 3.853 1.00 0.00 N ATOM 223 CA THR A 15 -4.762 -8.483 4.477 1.00 0.00 C ATOM 224 C THR A 15 -3.399 -9.070 4.822 1.00 0.00 C ATOM 225 O THR A 15 -3.237 -9.735 5.844 1.00 0.00 O ATOM 226 CB THR A 15 -5.537 -9.450 3.565 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.047 -9.355 2.220 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.028 -9.146 3.591 1.00 0.00 C ATOM 0 H THR A 15 -4.637 -7.199 2.833 1.00 0.00 H new ATOM 0 HA THR A 15 -5.331 -8.348 5.397 1.00 0.00 H new ATOM 0 HB THR A 15 -5.385 -10.463 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.544 -9.975 1.646 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.553 -9.843 2.938 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.403 -9.250 4.609 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.198 -8.127 3.244 1.00 0.00 H new ATOM 236 N SER A 16 -2.422 -8.823 3.960 1.00 0.00 N ATOM 237 CA SER A 16 -1.052 -9.247 4.205 1.00 0.00 C ATOM 238 C SER A 16 -0.079 -8.373 3.428 1.00 0.00 C ATOM 239 O SER A 16 -0.226 -8.192 2.218 1.00 0.00 O ATOM 240 CB SER A 16 -0.860 -10.715 3.813 1.00 0.00 C ATOM 241 OG SER A 16 -1.676 -11.564 4.602 1.00 0.00 O ATOM 0 H SER A 16 -2.556 -8.327 3.079 1.00 0.00 H new ATOM 0 HA SER A 16 -0.851 -9.141 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.103 -10.848 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.187 -10.994 3.936 1.00 0.00 H new ATOM 0 HG SER A 16 -2.205 -11.023 5.225 1.00 0.00 H new ATOM 247 N VAL A 17 0.904 -7.826 4.126 1.00 0.00 N ATOM 248 CA VAL A 17 1.914 -6.995 3.490 1.00 0.00 C ATOM 249 C VAL A 17 3.263 -7.715 3.446 1.00 0.00 C ATOM 250 O VAL A 17 3.909 -7.929 4.475 1.00 0.00 O ATOM 251 CB VAL A 17 2.054 -5.619 4.200 1.00 0.00 C ATOM 252 CG1 VAL A 17 2.231 -5.777 5.705 1.00 0.00 C ATOM 253 CG2 VAL A 17 3.204 -4.814 3.609 1.00 0.00 C ATOM 0 H VAL A 17 1.024 -7.942 5.132 1.00 0.00 H new ATOM 0 HA VAL A 17 1.586 -6.809 2.467 1.00 0.00 H new ATOM 0 HB VAL A 17 1.126 -5.072 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.325 -4.794 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.365 -6.291 6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.130 -6.360 5.906 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.280 -3.856 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.136 -5.366 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.021 -4.642 2.548 1.00 0.00 H new ATOM 263 N ALA A 18 3.664 -8.119 2.250 1.00 0.00 N ATOM 264 CA ALA A 18 4.958 -8.744 2.046 1.00 0.00 C ATOM 265 C ALA A 18 5.904 -7.776 1.353 1.00 0.00 C ATOM 266 O ALA A 18 5.490 -7.017 0.474 1.00 0.00 O ATOM 267 CB ALA A 18 4.813 -10.025 1.237 1.00 0.00 C ATOM 0 H ALA A 18 3.106 -8.023 1.402 1.00 0.00 H new ATOM 0 HA ALA A 18 5.377 -9.003 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.794 -10.479 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.165 -10.721 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.376 -9.794 0.266 1.00 0.00 H new ATOM 273 N ALA A 19 7.162 -7.798 1.765 1.00 0.00 N ATOM 274 CA ALA A 19 8.179 -6.918 1.209 1.00 0.00 C ATOM 275 C ALA A 19 9.542 -7.306 1.751 1.00 0.00 C ATOM 276 O ALA A 19 9.668 -8.298 2.474 1.00 0.00 O ATOM 277 CB ALA A 19 7.876 -5.459 1.538 1.00 0.00 C ATOM 0 H ALA A 19 7.507 -8.425 2.492 1.00 0.00 H new ATOM 0 HA ALA A 19 8.178 -7.027 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.650 -4.821 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.908 -5.185 1.118 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.853 -5.327 2.620 1.00 0.00 H new ATOM 283 N GLU A 20 10.567 -6.548 1.395 1.00 0.00 N ATOM 284 CA GLU A 20 11.880 -6.757 1.975 1.00 0.00 C ATOM 285 C GLU A 20 11.825 -6.442 3.468 1.00 0.00 C ATOM 286 O GLU A 20 11.108 -5.532 3.876 1.00 0.00 O ATOM 287 CB GLU A 20 12.926 -5.880 1.282 1.00 0.00 C ATOM 288 CG GLU A 20 13.107 -6.204 -0.190 1.00 0.00 C ATOM 289 CD GLU A 20 13.445 -7.662 -0.415 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.597 -8.059 -0.143 1.00 0.00 O ATOM 291 OE2 GLU A 20 12.553 -8.422 -0.846 1.00 0.00 O ATOM 0 H GLU A 20 10.515 -5.790 0.714 1.00 0.00 H new ATOM 0 HA GLU A 20 12.171 -7.798 1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.636 -4.834 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 20 13.882 -5.997 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.193 -5.957 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.900 -5.581 -0.603 1.00 0.00 H new ATOM 298 N PRO A 21 12.579 -7.187 4.292 1.00 0.00 N ATOM 299 CA PRO A 21 12.533 -7.072 5.756 1.00 0.00 C ATOM 300 C PRO A 21 12.604 -5.625 6.243 1.00 0.00 C ATOM 301 O PRO A 21 11.819 -5.209 7.096 1.00 0.00 O ATOM 302 CB PRO A 21 13.766 -7.860 6.232 1.00 0.00 C ATOM 303 CG PRO A 21 14.528 -8.220 4.996 1.00 0.00 C ATOM 304 CD PRO A 21 13.540 -8.207 3.866 1.00 0.00 C ATOM 0 HA PRO A 21 11.591 -7.454 6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.377 -7.259 6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.470 -8.753 6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.333 -7.508 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.989 -9.203 5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.012 -7.948 2.918 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.066 -9.179 3.731 1.00 0.00 H new ATOM 312 N ALA A 22 13.531 -4.862 5.679 1.00 0.00 N ATOM 313 CA ALA A 22 13.712 -3.467 6.058 1.00 0.00 C ATOM 314 C ALA A 22 12.514 -2.624 5.651 1.00 0.00 C ATOM 315 O ALA A 22 12.000 -1.833 6.441 1.00 0.00 O ATOM 316 CB ALA A 22 14.976 -2.912 5.422 1.00 0.00 C ATOM 0 H ALA A 22 14.171 -5.187 4.955 1.00 0.00 H new ATOM 0 HA ALA A 22 13.804 -3.424 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.101 -1.869 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.837 -3.489 5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.897 -2.980 4.337 1.00 0.00 H new ATOM 322 N VAL A 23 12.064 -2.818 4.423 1.00 0.00 N ATOM 323 CA VAL A 23 10.994 -2.013 3.861 1.00 0.00 C ATOM 324 C VAL A 23 9.663 -2.347 4.518 1.00 0.00 C ATOM 325 O VAL A 23 8.898 -1.456 4.870 1.00 0.00 O ATOM 326 CB VAL A 23 10.879 -2.219 2.339 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.791 -1.332 1.756 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.212 -1.943 1.665 1.00 0.00 C ATOM 0 H VAL A 23 12.427 -3.532 3.792 1.00 0.00 H new ATOM 0 HA VAL A 23 11.239 -0.969 4.056 1.00 0.00 H new ATOM 0 HB VAL A 23 10.606 -3.258 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.727 -1.494 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.835 -1.578 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.030 -0.287 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.114 -2.093 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.513 -0.914 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.967 -2.624 2.059 1.00 0.00 H new ATOM 338 N ARG A 24 9.404 -3.635 4.699 1.00 0.00 N ATOM 339 CA ARG A 24 8.170 -4.088 5.321 1.00 0.00 C ATOM 340 C ARG A 24 8.088 -3.566 6.754 1.00 0.00 C ATOM 341 O ARG A 24 7.022 -3.176 7.222 1.00 0.00 O ATOM 342 CB ARG A 24 8.098 -5.621 5.273 1.00 0.00 C ATOM 343 CG ARG A 24 6.746 -6.210 5.660 1.00 0.00 C ATOM 344 CD ARG A 24 6.658 -6.505 7.150 1.00 0.00 C ATOM 345 NE ARG A 24 7.650 -7.496 7.573 1.00 0.00 N ATOM 346 CZ ARG A 24 7.694 -8.038 8.790 1.00 0.00 C ATOM 347 NH1 ARG A 24 6.771 -7.721 9.695 1.00 0.00 N ATOM 348 NH2 ARG A 24 8.651 -8.911 9.096 1.00 0.00 N ATOM 0 H ARG A 24 10.036 -4.386 4.422 1.00 0.00 H new ATOM 0 HA ARG A 24 7.315 -3.693 4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.347 -5.951 4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.860 -6.028 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.954 -5.515 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.576 -7.128 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.805 -5.582 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.658 -6.868 7.389 1.00 0.00 H new ATOM 0 HE ARG A 24 8.352 -7.790 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.029 -7.063 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.806 -8.136 10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.351 -9.165 8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.684 -9.326 10.027 1.00 0.00 H new ATOM 362 N ARG A 25 9.230 -3.535 7.432 1.00 0.00 N ATOM 363 CA ARG A 25 9.314 -2.984 8.778 1.00 0.00 C ATOM 364 C ARG A 25 9.050 -1.477 8.742 1.00 0.00 C ATOM 365 O ARG A 25 8.254 -0.952 9.522 1.00 0.00 O ATOM 366 CB ARG A 25 10.703 -3.260 9.367 1.00 0.00 C ATOM 367 CG ARG A 25 10.895 -2.733 10.780 1.00 0.00 C ATOM 368 CD ARG A 25 10.073 -3.510 11.793 1.00 0.00 C ATOM 369 NE ARG A 25 10.585 -4.865 12.013 1.00 0.00 N ATOM 370 CZ ARG A 25 10.219 -5.633 13.039 1.00 0.00 C ATOM 371 NH1 ARG A 25 9.367 -5.164 13.945 1.00 0.00 N ATOM 372 NH2 ARG A 25 10.715 -6.857 13.173 1.00 0.00 N ATOM 0 H ARG A 25 10.115 -3.888 7.068 1.00 0.00 H new ATOM 0 HA ARG A 25 8.561 -3.460 9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.879 -4.336 9.365 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.456 -2.812 8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.950 -2.791 11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.614 -1.680 10.816 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.065 -2.970 12.740 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.040 -3.567 11.450 1.00 0.00 H new ATOM 0 HE ARG A 25 11.258 -5.241 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.995 -4.219 13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.085 -5.750 14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.381 -7.215 12.488 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.430 -7.439 13.961 1.00 0.00 H new ATOM 386 N ARG A 26 9.710 -0.806 7.807 1.00 0.00 N ATOM 387 CA ARG A 26 9.603 0.635 7.641 1.00 0.00 C ATOM 388 C ARG A 26 8.167 1.036 7.305 1.00 0.00 C ATOM 389 O ARG A 26 7.657 2.033 7.815 1.00 0.00 O ATOM 390 CB ARG A 26 10.582 1.074 6.542 1.00 0.00 C ATOM 391 CG ARG A 26 10.797 2.572 6.425 1.00 0.00 C ATOM 392 CD ARG A 26 9.774 3.224 5.511 1.00 0.00 C ATOM 393 NE ARG A 26 10.188 4.563 5.101 1.00 0.00 N ATOM 394 CZ ARG A 26 9.817 5.141 3.962 1.00 0.00 C ATOM 395 NH1 ARG A 26 9.006 4.505 3.125 1.00 0.00 N ATOM 396 NH2 ARG A 26 10.257 6.354 3.660 1.00 0.00 N ATOM 0 H ARG A 26 10.339 -1.251 7.138 1.00 0.00 H new ATOM 0 HA ARG A 26 9.862 1.137 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.546 0.599 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.219 0.700 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.740 3.025 7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.800 2.766 6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.628 2.602 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.813 3.281 6.023 1.00 0.00 H new ATOM 0 HE ARG A 26 10.799 5.087 5.727 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.666 3.571 3.355 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.723 4.950 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.880 6.845 4.301 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.972 6.797 2.786 1.00 0.00 H new ATOM 410 N LEU A 27 7.513 0.247 6.460 1.00 0.00 N ATOM 411 CA LEU A 27 6.122 0.502 6.098 1.00 0.00 C ATOM 412 C LEU A 27 5.212 0.342 7.307 1.00 0.00 C ATOM 413 O LEU A 27 4.272 1.118 7.498 1.00 0.00 O ATOM 414 CB LEU A 27 5.665 -0.437 4.979 1.00 0.00 C ATOM 415 CG LEU A 27 6.376 -0.246 3.639 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.840 -1.224 2.609 1.00 0.00 C ATOM 417 CD2 LEU A 27 6.219 1.183 3.149 1.00 0.00 C ATOM 0 H LEU A 27 7.922 -0.573 6.013 1.00 0.00 H new ATOM 0 HA LEU A 27 6.057 1.529 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.812 -1.466 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.594 -0.301 4.827 1.00 0.00 H new ATOM 0 HG LEU A 27 7.438 -0.444 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.357 -1.074 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.006 -2.244 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.772 -1.057 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.732 1.299 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.160 1.410 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.652 1.867 3.879 1.00 0.00 H new ATOM 429 N MET A 28 5.507 -0.649 8.137 1.00 0.00 N ATOM 430 CA MET A 28 4.691 -0.905 9.315 1.00 0.00 C ATOM 431 C MET A 28 4.908 0.178 10.359 1.00 0.00 C ATOM 432 O MET A 28 3.996 0.518 11.113 1.00 0.00 O ATOM 433 CB MET A 28 4.989 -2.279 9.913 1.00 0.00 C ATOM 434 CG MET A 28 4.617 -3.436 8.999 1.00 0.00 C ATOM 435 SD MET A 28 4.539 -5.012 9.870 1.00 0.00 S ATOM 436 CE MET A 28 5.964 -4.864 10.939 1.00 0.00 C ATOM 0 H MET A 28 6.297 -1.283 8.018 1.00 0.00 H new ATOM 0 HA MET A 28 3.647 -0.892 9.002 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.051 -2.340 10.149 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.448 -2.382 10.853 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.651 -3.233 8.537 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.347 -3.507 8.193 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.184 -5.832 11.388 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.823 -4.531 10.356 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.755 -4.138 11.725 1.00 0.00 H new ATOM 446 N ASP A 29 6.118 0.728 10.393 1.00 0.00 N ATOM 447 CA ASP A 29 6.428 1.843 11.282 1.00 0.00 C ATOM 448 C ASP A 29 5.676 3.096 10.854 1.00 0.00 C ATOM 449 O ASP A 29 5.342 3.944 11.686 1.00 0.00 O ATOM 450 CB ASP A 29 7.932 2.130 11.314 1.00 0.00 C ATOM 451 CG ASP A 29 8.670 1.275 12.322 1.00 0.00 C ATOM 452 OD1 ASP A 29 8.367 1.377 13.530 1.00 0.00 O ATOM 453 OD2 ASP A 29 9.579 0.517 11.923 1.00 0.00 O ATOM 0 H ASP A 29 6.900 0.420 9.815 1.00 0.00 H new ATOM 0 HA ASP A 29 6.110 1.559 12.285 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.351 1.959 10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.092 3.182 11.550 1.00 0.00 H new ATOM 458 N LEU A 30 5.415 3.216 9.556 1.00 0.00 N ATOM 459 CA LEU A 30 4.619 4.319 9.041 1.00 0.00 C ATOM 460 C LEU A 30 3.159 4.124 9.427 1.00 0.00 C ATOM 461 O LEU A 30 2.491 5.062 9.865 1.00 0.00 O ATOM 462 CB LEU A 30 4.758 4.415 7.520 1.00 0.00 C ATOM 463 CG LEU A 30 6.184 4.634 7.012 1.00 0.00 C ATOM 464 CD1 LEU A 30 6.200 4.724 5.496 1.00 0.00 C ATOM 465 CD2 LEU A 30 6.792 5.884 7.629 1.00 0.00 C ATOM 0 H LEU A 30 5.744 2.563 8.845 1.00 0.00 H new ATOM 0 HA LEU A 30 4.981 5.250 9.478 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.367 3.499 7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.132 5.234 7.164 1.00 0.00 H new ATOM 0 HG LEU A 30 6.789 3.779 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.222 4.880 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.812 3.798 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.578 5.559 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.806 6.019 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.188 6.752 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.818 5.779 8.714 1.00 0.00 H new ATOM 477 N GLY A 31 2.677 2.896 9.289 1.00 0.00 N ATOM 478 CA GLY A 31 1.308 2.595 9.653 1.00 0.00 C ATOM 479 C GLY A 31 0.676 1.552 8.753 1.00 0.00 C ATOM 480 O GLY A 31 -0.517 1.268 8.867 1.00 0.00 O ATOM 0 H GLY A 31 3.210 2.103 8.931 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.280 2.243 10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.717 3.510 9.612 1.00 0.00 H new ATOM 484 N LEU A 32 1.468 0.981 7.857 1.00 0.00 N ATOM 485 CA LEU A 32 0.963 -0.028 6.941 1.00 0.00 C ATOM 486 C LEU A 32 1.168 -1.419 7.537 1.00 0.00 C ATOM 487 O LEU A 32 2.234 -2.018 7.401 1.00 0.00 O ATOM 488 CB LEU A 32 1.664 0.098 5.580 1.00 0.00 C ATOM 489 CG LEU A 32 0.886 -0.439 4.368 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.585 -0.037 3.082 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.738 -1.954 4.429 1.00 0.00 C ATOM 0 H LEU A 32 2.458 1.199 7.746 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.105 0.125 6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.888 1.150 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.618 -0.426 5.635 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.112 -0.002 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.027 -0.422 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.637 1.050 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.594 -0.450 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.183 -2.301 3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.725 -2.416 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.200 -2.231 5.335 1.00 0.00 H new ATOM 503 N VAL A 33 0.150 -1.908 8.232 1.00 0.00 N ATOM 504 CA VAL A 33 0.187 -3.235 8.836 1.00 0.00 C ATOM 505 C VAL A 33 -1.049 -4.028 8.421 1.00 0.00 C ATOM 506 O VAL A 33 -1.877 -3.536 7.655 1.00 0.00 O ATOM 507 CB VAL A 33 0.246 -3.167 10.380 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.538 -2.518 10.844 1.00 0.00 C ATOM 509 CG2 VAL A 33 -0.953 -2.417 10.937 1.00 0.00 C ATOM 0 H VAL A 33 -0.720 -1.401 8.393 1.00 0.00 H new ATOM 0 HA VAL A 33 1.092 -3.728 8.481 1.00 0.00 H new ATOM 0 HB VAL A 33 0.218 -4.188 10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.556 -2.482 11.933 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.387 -3.101 10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.600 -1.505 10.446 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.888 -2.383 12.025 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.962 -1.401 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.870 -2.928 10.644 1.00 0.00 H new ATOM 519 N ARG A 34 -1.176 -5.247 8.925 1.00 0.00 N ATOM 520 CA ARG A 34 -2.345 -6.067 8.635 1.00 0.00 C ATOM 521 C ARG A 34 -3.582 -5.452 9.284 1.00 0.00 C ATOM 522 O ARG A 34 -3.636 -5.275 10.502 1.00 0.00 O ATOM 523 CB ARG A 34 -2.123 -7.501 9.136 1.00 0.00 C ATOM 524 CG ARG A 34 -3.187 -8.503 8.691 1.00 0.00 C ATOM 525 CD ARG A 34 -4.401 -8.514 9.608 1.00 0.00 C ATOM 526 NE ARG A 34 -5.630 -8.102 8.918 1.00 0.00 N ATOM 527 CZ ARG A 34 -6.797 -8.737 9.041 1.00 0.00 C ATOM 528 NH1 ARG A 34 -6.879 -9.836 9.781 1.00 0.00 N ATOM 529 NH2 ARG A 34 -7.880 -8.287 8.414 1.00 0.00 N ATOM 0 H ARG A 34 -0.488 -5.689 9.534 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.500 -6.103 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.149 -7.847 8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.087 -7.490 10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.505 -8.263 7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.750 -9.501 8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.535 -9.516 10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.221 -7.848 10.452 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.589 -7.284 8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.050 -10.195 10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.771 -10.322 9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.822 -7.450 7.834 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.768 -8.779 8.514 1.00 0.00 H new ATOM 543 N GLY A 35 -4.568 -5.119 8.465 1.00 0.00 N ATOM 544 CA GLY A 35 -5.782 -4.521 8.979 1.00 0.00 C ATOM 545 C GLY A 35 -5.855 -3.038 8.687 1.00 0.00 C ATOM 546 O GLY A 35 -6.806 -2.366 9.085 1.00 0.00 O ATOM 0 H GLY A 35 -4.549 -5.252 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.646 -5.019 8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.836 -4.681 10.056 1.00 0.00 H new ATOM 550 N ALA A 36 -4.833 -2.523 8.016 1.00 0.00 N ATOM 551 CA ALA A 36 -4.808 -1.128 7.608 1.00 0.00 C ATOM 552 C ALA A 36 -5.726 -0.897 6.414 1.00 0.00 C ATOM 553 O ALA A 36 -5.650 -1.616 5.419 1.00 0.00 O ATOM 554 CB ALA A 36 -3.387 -0.702 7.272 1.00 0.00 C ATOM 0 H ALA A 36 -4.007 -3.055 7.742 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.169 -0.522 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.383 0.345 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.752 -0.827 8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.006 -1.318 6.457 1.00 0.00 H new ATOM 560 N LYS A 37 -6.598 0.093 6.521 1.00 0.00 N ATOM 561 CA LYS A 37 -7.499 0.426 5.426 1.00 0.00 C ATOM 562 C LYS A 37 -6.903 1.554 4.601 1.00 0.00 C ATOM 563 O LYS A 37 -6.560 2.608 5.137 1.00 0.00 O ATOM 564 CB LYS A 37 -8.882 0.854 5.936 1.00 0.00 C ATOM 565 CG LYS A 37 -9.640 -0.217 6.710 1.00 0.00 C ATOM 566 CD LYS A 37 -9.112 -0.379 8.127 1.00 0.00 C ATOM 567 CE LYS A 37 -9.873 -1.449 8.891 1.00 0.00 C ATOM 568 NZ LYS A 37 -9.273 -1.697 10.228 1.00 0.00 N ATOM 0 H LYS A 37 -6.702 0.678 7.350 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.623 -0.468 4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.763 1.728 6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.488 1.163 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.698 0.042 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.562 -1.168 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.054 -0.639 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.191 0.571 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.912 -1.143 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.877 -2.375 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.807 -2.445 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.284 -1.996 10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.308 -0.824 10.792 1.00 0.00 H new ATOM 582 N LEU A 38 -6.783 1.340 3.303 1.00 0.00 N ATOM 583 CA LEU A 38 -6.199 2.340 2.431 1.00 0.00 C ATOM 584 C LEU A 38 -7.066 2.595 1.205 1.00 0.00 C ATOM 585 O LEU A 38 -7.863 1.747 0.800 1.00 0.00 O ATOM 586 CB LEU A 38 -4.768 1.942 2.018 1.00 0.00 C ATOM 587 CG LEU A 38 -4.578 0.525 1.450 1.00 0.00 C ATOM 588 CD1 LEU A 38 -5.095 0.418 0.023 1.00 0.00 C ATOM 589 CD2 LEU A 38 -3.110 0.137 1.507 1.00 0.00 C ATOM 0 H LEU A 38 -7.081 0.486 2.832 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.147 3.272 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.419 2.656 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.121 2.048 2.889 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.159 -0.163 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.943 -0.597 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.158 0.656 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.554 1.118 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.983 -0.867 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.524 0.842 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.768 0.158 2.542 1.00 0.00 H new ATOM 601 N LYS A 39 -6.925 3.783 0.643 1.00 0.00 N ATOM 602 CA LYS A 39 -7.560 4.108 -0.620 1.00 0.00 C ATOM 603 C LYS A 39 -6.507 4.610 -1.590 1.00 0.00 C ATOM 604 O LYS A 39 -5.779 5.557 -1.282 1.00 0.00 O ATOM 605 CB LYS A 39 -8.651 5.171 -0.445 1.00 0.00 C ATOM 606 CG LYS A 39 -9.547 5.315 -1.672 1.00 0.00 C ATOM 607 CD LYS A 39 -10.415 6.566 -1.613 1.00 0.00 C ATOM 608 CE LYS A 39 -9.597 7.832 -1.836 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.439 9.060 -1.794 1.00 0.00 N ATOM 0 H LYS A 39 -6.373 4.541 1.045 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.033 3.207 -1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.265 4.914 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.183 6.132 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.928 5.347 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.186 4.436 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.198 6.501 -2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.911 6.619 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.820 7.900 -1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.093 7.772 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.841 9.896 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.164 9.009 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.900 9.133 -0.865 1.00 0.00 H new ATOM 623 N VAL A 40 -6.406 3.966 -2.740 1.00 0.00 N ATOM 624 CA VAL A 40 -5.446 4.380 -3.752 1.00 0.00 C ATOM 625 C VAL A 40 -5.843 5.735 -4.319 1.00 0.00 C ATOM 626 O VAL A 40 -6.909 5.878 -4.918 1.00 0.00 O ATOM 627 CB VAL A 40 -5.341 3.339 -4.886 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.337 3.767 -5.948 1.00 0.00 C ATOM 629 CG2 VAL A 40 -4.966 1.983 -4.319 1.00 0.00 C ATOM 0 H VAL A 40 -6.973 3.158 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.467 4.459 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.317 3.267 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.290 3.010 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.649 4.717 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.353 3.881 -5.493 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.895 1.257 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.005 2.055 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.729 1.662 -3.610 1.00 0.00 H new ATOM 639 N LEU A 41 -4.994 6.725 -4.108 1.00 0.00 N ATOM 640 CA LEU A 41 -5.290 8.084 -4.517 1.00 0.00 C ATOM 641 C LEU A 41 -5.026 8.258 -6.004 1.00 0.00 C ATOM 642 O LEU A 41 -5.923 8.627 -6.768 1.00 0.00 O ATOM 643 CB LEU A 41 -4.440 9.072 -3.715 1.00 0.00 C ATOM 644 CG LEU A 41 -4.559 8.948 -2.195 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.603 9.906 -1.504 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.990 9.202 -1.745 1.00 0.00 C ATOM 0 H LEU A 41 -4.089 6.610 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.344 8.284 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.395 8.938 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.719 10.085 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.288 7.930 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.702 9.803 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.579 9.674 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.840 10.929 -1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.052 9.109 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.292 10.207 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.653 8.473 -2.211 1.00 0.00 H new ATOM 658 N ARG A 42 -3.797 7.965 -6.414 1.00 0.00 N ATOM 659 CA ARG A 42 -3.394 8.121 -7.800 1.00 0.00 C ATOM 660 C ARG A 42 -2.040 7.463 -8.010 1.00 0.00 C ATOM 661 O ARG A 42 -1.340 7.152 -7.047 1.00 0.00 O ATOM 662 CB ARG A 42 -3.315 9.606 -8.174 1.00 0.00 C ATOM 663 CG ARG A 42 -3.176 9.860 -9.666 1.00 0.00 C ATOM 664 CD ARG A 42 -3.074 11.341 -9.973 1.00 0.00 C ATOM 665 NE ARG A 42 -3.004 11.599 -11.408 1.00 0.00 N ATOM 666 CZ ARG A 42 -2.883 12.817 -11.933 1.00 0.00 C ATOM 667 NH1 ARG A 42 -2.796 13.879 -11.142 1.00 0.00 N ATOM 668 NH2 ARG A 42 -2.844 12.972 -13.249 1.00 0.00 N ATOM 0 H ARG A 42 -3.061 7.616 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.136 7.643 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.211 10.110 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.466 10.056 -7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.290 9.348 -10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.034 9.438 -10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.937 11.858 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.189 11.752 -9.487 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.050 10.803 -12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.822 13.764 -10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.703 14.810 -11.547 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.907 12.158 -13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.751 13.905 -13.650 1.00 0.00 H new ATOM 682 N PHE A 43 -1.681 7.244 -9.258 1.00 0.00 N ATOM 683 CA PHE A 43 -0.381 6.691 -9.586 1.00 0.00 C ATOM 684 C PHE A 43 0.488 7.764 -10.208 1.00 0.00 C ATOM 685 O PHE A 43 -0.020 8.751 -10.743 1.00 0.00 O ATOM 686 CB PHE A 43 -0.510 5.523 -10.566 1.00 0.00 C ATOM 687 CG PHE A 43 -1.344 4.386 -10.056 1.00 0.00 C ATOM 688 CD1 PHE A 43 -0.781 3.405 -9.260 1.00 0.00 C ATOM 689 CD2 PHE A 43 -2.692 4.300 -10.369 1.00 0.00 C ATOM 690 CE1 PHE A 43 -1.542 2.353 -8.791 1.00 0.00 C ATOM 691 CE2 PHE A 43 -3.456 3.251 -9.904 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.882 2.279 -9.108 1.00 0.00 C ATOM 0 H PHE A 43 -2.273 7.441 -10.065 1.00 0.00 H new ATOM 0 HA PHE A 43 0.073 6.326 -8.665 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.944 5.889 -11.496 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.486 5.151 -10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.266 3.463 -9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.148 5.062 -10.983 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.089 1.589 -8.177 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.503 3.189 -10.162 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.482 1.462 -8.734 1.00 0.00 H new ATOM 702 N ALA A 44 1.794 7.579 -10.129 1.00 0.00 N ATOM 703 CA ALA A 44 2.723 8.435 -10.842 1.00 0.00 C ATOM 704 C ALA A 44 2.535 8.255 -12.348 1.00 0.00 C ATOM 705 O ALA A 44 1.836 7.332 -12.768 1.00 0.00 O ATOM 706 CB ALA A 44 4.147 8.114 -10.430 1.00 0.00 C ATOM 0 H ALA A 44 2.235 6.843 -9.577 1.00 0.00 H new ATOM 0 HA ALA A 44 2.524 9.477 -10.590 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.837 8.762 -10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.261 8.276 -9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.368 7.073 -10.665 1.00 0.00 H new ATOM 712 N PRO A 45 3.124 9.138 -13.182 1.00 0.00 N ATOM 713 CA PRO A 45 3.023 9.051 -14.653 1.00 0.00 C ATOM 714 C PRO A 45 3.447 7.691 -15.222 1.00 0.00 C ATOM 715 O PRO A 45 3.275 7.427 -16.411 1.00 0.00 O ATOM 716 CB PRO A 45 3.978 10.147 -15.150 1.00 0.00 C ATOM 717 CG PRO A 45 4.799 10.523 -13.964 1.00 0.00 C ATOM 718 CD PRO A 45 3.912 10.308 -12.777 1.00 0.00 C ATOM 0 HA PRO A 45 1.989 9.173 -14.976 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.606 9.782 -15.963 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.426 11.005 -15.534 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.697 9.909 -13.898 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.126 11.561 -14.026 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.486 10.117 -11.870 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.281 11.174 -12.579 1.00 0.00 H new ATOM 726 N LEU A 46 3.982 6.824 -14.373 1.00 0.00 N ATOM 727 CA LEU A 46 4.425 5.503 -14.797 1.00 0.00 C ATOM 728 C LEU A 46 3.894 4.439 -13.843 1.00 0.00 C ATOM 729 O LEU A 46 4.413 3.325 -13.789 1.00 0.00 O ATOM 730 CB LEU A 46 5.955 5.441 -14.834 1.00 0.00 C ATOM 731 CG LEU A 46 6.636 6.394 -15.817 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.148 6.274 -15.713 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.179 6.108 -17.235 1.00 0.00 C ATOM 0 H LEU A 46 4.120 7.014 -13.380 1.00 0.00 H new ATOM 0 HA LEU A 46 4.037 5.314 -15.798 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.333 5.651 -13.833 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.253 4.422 -15.080 1.00 0.00 H new ATOM 0 HG LEU A 46 6.352 7.415 -15.561 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.617 6.959 -16.419 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.464 6.525 -14.700 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.449 5.252 -15.945 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.673 6.795 -17.922 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.436 5.082 -17.500 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.099 6.241 -17.303 1.00 0.00 H new ATOM 745 N GLY A 47 2.855 4.787 -13.095 1.00 0.00 N ATOM 746 CA GLY A 47 2.268 3.860 -12.142 1.00 0.00 C ATOM 747 C GLY A 47 3.022 3.837 -10.827 1.00 0.00 C ATOM 748 O GLY A 47 2.425 3.792 -9.756 1.00 0.00 O ATOM 0 H GLY A 47 2.404 5.701 -13.131 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.230 4.138 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.258 2.858 -12.571 1.00 0.00 H new ATOM 752 N ASP A 48 4.340 3.877 -10.927 1.00 0.00 N ATOM 753 CA ASP A 48 5.223 3.858 -9.767 1.00 0.00 C ATOM 754 C ASP A 48 5.919 5.209 -9.613 1.00 0.00 C ATOM 755 O ASP A 48 6.445 5.749 -10.588 1.00 0.00 O ATOM 756 CB ASP A 48 6.250 2.733 -9.946 1.00 0.00 C ATOM 757 CG ASP A 48 7.474 2.883 -9.068 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.434 2.460 -7.893 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.497 3.403 -9.563 1.00 0.00 O ATOM 0 H ASP A 48 4.833 3.924 -11.819 1.00 0.00 H new ATOM 0 HA ASP A 48 4.644 3.675 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.772 1.778 -9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.564 2.702 -10.989 1.00 0.00 H new ATOM 764 N PRO A 49 5.929 5.790 -8.395 1.00 0.00 N ATOM 765 CA PRO A 49 5.318 5.202 -7.198 1.00 0.00 C ATOM 766 C PRO A 49 3.803 5.409 -7.128 1.00 0.00 C ATOM 767 O PRO A 49 3.198 6.015 -8.017 1.00 0.00 O ATOM 768 CB PRO A 49 6.001 5.944 -6.035 1.00 0.00 C ATOM 769 CG PRO A 49 6.986 6.884 -6.656 1.00 0.00 C ATOM 770 CD PRO A 49 6.560 7.073 -8.081 1.00 0.00 C ATOM 0 HA PRO A 49 5.456 4.121 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.269 6.487 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.501 5.243 -5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.999 7.837 -6.126 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.996 6.477 -6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.864 7.905 -8.190 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.408 7.279 -8.734 1.00 0.00 H new ATOM 778 N ILE A 50 3.209 4.918 -6.048 1.00 0.00 N ATOM 779 CA ILE A 50 1.766 4.953 -5.863 1.00 0.00 C ATOM 780 C ILE A 50 1.398 5.803 -4.648 1.00 0.00 C ATOM 781 O ILE A 50 2.017 5.691 -3.586 1.00 0.00 O ATOM 782 CB ILE A 50 1.213 3.521 -5.675 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.671 2.620 -6.827 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.308 3.541 -5.578 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.337 1.154 -6.636 1.00 0.00 C ATOM 0 H ILE A 50 3.715 4.484 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 50 1.322 5.397 -6.754 1.00 0.00 H new ATOM 0 HB ILE A 50 1.606 3.117 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.211 2.969 -7.752 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.749 2.723 -6.948 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.678 2.524 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.610 4.150 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.725 3.963 -6.492 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.694 0.585 -7.494 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.819 0.786 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.257 1.036 -6.546 1.00 0.00 H new ATOM 797 N GLU A 51 0.404 6.659 -4.821 1.00 0.00 N ATOM 798 CA GLU A 51 -0.101 7.492 -3.740 1.00 0.00 C ATOM 799 C GLU A 51 -1.294 6.810 -3.088 1.00 0.00 C ATOM 800 O GLU A 51 -2.314 6.583 -3.742 1.00 0.00 O ATOM 801 CB GLU A 51 -0.535 8.854 -4.289 1.00 0.00 C ATOM 802 CG GLU A 51 0.574 9.630 -4.975 1.00 0.00 C ATOM 803 CD GLU A 51 1.624 10.117 -4.003 1.00 0.00 C ATOM 804 OE1 GLU A 51 1.390 11.152 -3.350 1.00 0.00 O ATOM 805 OE2 GLU A 51 2.685 9.477 -3.890 1.00 0.00 O ATOM 0 H GLU A 51 -0.075 6.796 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 51 0.689 7.636 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.350 8.705 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.930 9.454 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.045 8.997 -5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.145 10.484 -5.500 1.00 0.00 H new ATOM 812 N VAL A 52 -1.176 6.479 -1.812 1.00 0.00 N ATOM 813 CA VAL A 52 -2.259 5.800 -1.108 1.00 0.00 C ATOM 814 C VAL A 52 -2.575 6.475 0.222 1.00 0.00 C ATOM 815 O VAL A 52 -1.681 6.938 0.931 1.00 0.00 O ATOM 816 CB VAL A 52 -1.941 4.306 -0.853 1.00 0.00 C ATOM 817 CG1 VAL A 52 -1.911 3.527 -2.160 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.620 4.145 -0.115 1.00 0.00 C ATOM 0 H VAL A 52 -0.350 6.666 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.130 5.867 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.736 3.902 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.686 2.480 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.882 3.600 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.143 3.942 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.422 3.086 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.185 4.575 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.675 4.658 0.845 1.00 0.00 H new ATOM 828 N ASN A 53 -3.855 6.548 0.543 1.00 0.00 N ATOM 829 CA ASN A 53 -4.287 7.035 1.842 1.00 0.00 C ATOM 830 C ASN A 53 -4.491 5.844 2.762 1.00 0.00 C ATOM 831 O ASN A 53 -5.505 5.158 2.675 1.00 0.00 O ATOM 832 CB ASN A 53 -5.584 7.839 1.718 1.00 0.00 C ATOM 833 CG ASN A 53 -6.066 8.392 3.050 1.00 0.00 C ATOM 834 OD1 ASN A 53 -6.804 7.731 3.783 1.00 0.00 O ATOM 835 ND2 ASN A 53 -5.664 9.613 3.367 1.00 0.00 N ATOM 0 H ASN A 53 -4.615 6.275 -0.080 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.525 7.697 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.429 8.664 1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.360 7.204 1.292 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.965 10.038 4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.053 10.129 2.734 1.00 0.00 H new ATOM 842 N CYS A 54 -3.522 5.595 3.624 1.00 0.00 N ATOM 843 CA CYS A 54 -3.536 4.416 4.472 1.00 0.00 C ATOM 844 C CYS A 54 -3.795 4.801 5.920 1.00 0.00 C ATOM 845 O CYS A 54 -2.986 5.495 6.535 1.00 0.00 O ATOM 846 CB CYS A 54 -2.205 3.663 4.345 1.00 0.00 C ATOM 847 SG CYS A 54 -2.111 2.137 5.315 1.00 0.00 S ATOM 0 H CYS A 54 -2.710 6.198 3.756 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.343 3.760 4.146 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.037 3.422 3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.396 4.325 4.654 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.404 2.393 6.555 1.00 0.00 H new ATOM 853 N ASN A 55 -4.938 4.365 6.444 1.00 0.00 N ATOM 854 CA ASN A 55 -5.318 4.625 7.835 1.00 0.00 C ATOM 855 C ASN A 55 -5.498 6.116 8.100 1.00 0.00 C ATOM 856 O ASN A 55 -5.309 6.591 9.220 1.00 0.00 O ATOM 857 CB ASN A 55 -4.278 4.038 8.794 1.00 0.00 C ATOM 858 CG ASN A 55 -4.479 2.551 9.033 1.00 0.00 C ATOM 859 OD1 ASN A 55 -5.595 2.037 8.934 1.00 0.00 O ATOM 860 ND2 ASN A 55 -3.403 1.846 9.346 1.00 0.00 N ATOM 0 H ASN A 55 -5.626 3.823 5.921 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.277 4.137 8.010 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.280 4.206 8.389 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.328 4.566 9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.482 0.843 9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.495 2.306 9.419 1.00 0.00 H new ATOM 867 N GLY A 56 -5.890 6.849 7.066 1.00 0.00 N ATOM 868 CA GLY A 56 -6.077 8.281 7.200 1.00 0.00 C ATOM 869 C GLY A 56 -4.763 9.027 7.126 1.00 0.00 C ATOM 870 O GLY A 56 -4.672 10.200 7.492 1.00 0.00 O ATOM 0 H GLY A 56 -6.082 6.477 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.742 8.636 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.565 8.497 8.151 1.00 0.00 H new ATOM 874 N MET A 57 -3.738 8.329 6.668 1.00 0.00 N ATOM 875 CA MET A 57 -2.417 8.907 6.522 1.00 0.00 C ATOM 876 C MET A 57 -2.008 8.871 5.056 1.00 0.00 C ATOM 877 O MET A 57 -2.338 7.929 4.339 1.00 0.00 O ATOM 878 CB MET A 57 -1.412 8.134 7.389 1.00 0.00 C ATOM 879 CG MET A 57 -0.033 8.766 7.453 1.00 0.00 C ATOM 880 SD MET A 57 1.119 7.824 8.472 1.00 0.00 S ATOM 881 CE MET A 57 0.266 7.843 10.050 1.00 0.00 C ATOM 0 H MET A 57 -3.799 7.350 6.388 1.00 0.00 H new ATOM 0 HA MET A 57 -2.430 9.945 6.856 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.809 8.052 8.401 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.317 7.120 7.000 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.369 8.853 6.444 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.120 9.777 7.850 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.978 7.646 10.851 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.193 8.820 10.204 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.507 7.074 10.055 1.00 0.00 H new ATOM 891 N LEU A 58 -1.327 9.908 4.604 1.00 0.00 N ATOM 892 CA LEU A 58 -0.850 9.962 3.230 1.00 0.00 C ATOM 893 C LEU A 58 0.462 9.197 3.094 1.00 0.00 C ATOM 894 O LEU A 58 1.486 9.603 3.643 1.00 0.00 O ATOM 895 CB LEU A 58 -0.665 11.413 2.783 1.00 0.00 C ATOM 896 CG LEU A 58 -1.925 12.283 2.849 1.00 0.00 C ATOM 897 CD1 LEU A 58 -1.617 13.699 2.394 1.00 0.00 C ATOM 898 CD2 LEU A 58 -3.036 11.685 1.998 1.00 0.00 C ATOM 0 H LEU A 58 -1.091 10.725 5.167 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.596 9.494 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.106 11.871 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.294 11.416 1.758 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.264 12.316 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.523 14.303 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.854 14.131 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.253 13.680 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.921 12.318 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.706 11.621 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.277 10.687 2.364 1.00 0.00 H new ATOM 910 N LEU A 59 0.420 8.078 2.384 1.00 0.00 N ATOM 911 CA LEU A 59 1.600 7.250 2.184 1.00 0.00 C ATOM 912 C LEU A 59 2.005 7.255 0.717 1.00 0.00 C ATOM 913 O LEU A 59 1.156 7.349 -0.173 1.00 0.00 O ATOM 914 CB LEU A 59 1.348 5.795 2.616 1.00 0.00 C ATOM 915 CG LEU A 59 1.319 5.496 4.126 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.655 5.815 4.774 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.202 6.248 4.827 1.00 0.00 C ATOM 0 H LEU A 59 -0.424 7.722 1.935 1.00 0.00 H new ATOM 0 HA LEU A 59 2.397 7.670 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.395 5.479 2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.120 5.172 2.165 1.00 0.00 H new ATOM 0 HG LEU A 59 1.126 4.429 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.604 5.594 5.840 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.436 5.209 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.885 6.871 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.215 6.010 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.345 7.320 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.757 5.954 4.401 1.00 0.00 H new ATOM 929 N THR A 60 3.297 7.163 0.479 1.00 0.00 N ATOM 930 CA THR A 60 3.826 6.987 -0.863 1.00 0.00 C ATOM 931 C THR A 60 4.769 5.791 -0.877 1.00 0.00 C ATOM 932 O THR A 60 5.768 5.768 -0.156 1.00 0.00 O ATOM 933 CB THR A 60 4.577 8.247 -1.355 1.00 0.00 C ATOM 934 OG1 THR A 60 3.669 9.353 -1.460 1.00 0.00 O ATOM 935 CG2 THR A 60 5.240 8.002 -2.709 1.00 0.00 C ATOM 0 H THR A 60 4.011 7.208 1.206 1.00 0.00 H new ATOM 0 HA THR A 60 2.987 6.817 -1.538 1.00 0.00 H new ATOM 0 HB THR A 60 5.354 8.479 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.368 9.442 -2.388 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.760 8.905 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.955 7.184 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.479 7.742 -3.445 1.00 0.00 H new ATOM 943 N MET A 61 4.440 4.795 -1.683 1.00 0.00 N ATOM 944 CA MET A 61 5.242 3.582 -1.775 1.00 0.00 C ATOM 945 C MET A 61 5.441 3.182 -3.229 1.00 0.00 C ATOM 946 O MET A 61 4.784 3.714 -4.124 1.00 0.00 O ATOM 947 CB MET A 61 4.605 2.433 -0.976 1.00 0.00 C ATOM 948 CG MET A 61 3.099 2.557 -0.769 1.00 0.00 C ATOM 949 SD MET A 61 2.153 2.587 -2.306 1.00 0.00 S ATOM 950 CE MET A 61 2.487 0.951 -2.946 1.00 0.00 C ATOM 0 H MET A 61 3.618 4.801 -2.287 1.00 0.00 H new ATOM 0 HA MET A 61 6.219 3.790 -1.338 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.811 1.494 -1.490 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.088 2.376 -0.001 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.756 1.722 -0.158 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.892 3.469 -0.208 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.559 0.504 -3.303 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.197 1.021 -3.770 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.908 0.330 -2.155 1.00 0.00 H new ATOM 960 N ARG A 62 6.346 2.248 -3.463 1.00 0.00 N ATOM 961 CA ARG A 62 6.706 1.871 -4.818 1.00 0.00 C ATOM 962 C ARG A 62 5.895 0.669 -5.278 1.00 0.00 C ATOM 963 O ARG A 62 5.303 -0.042 -4.463 1.00 0.00 O ATOM 964 CB ARG A 62 8.200 1.555 -4.901 1.00 0.00 C ATOM 965 CG ARG A 62 9.085 2.630 -4.292 1.00 0.00 C ATOM 966 CD ARG A 62 8.855 3.984 -4.939 1.00 0.00 C ATOM 967 NE ARG A 62 9.178 3.981 -6.365 1.00 0.00 N ATOM 968 CZ ARG A 62 10.163 4.698 -6.904 1.00 0.00 C ATOM 969 NH1 ARG A 62 10.924 5.468 -6.135 1.00 0.00 N ATOM 970 NH2 ARG A 62 10.382 4.649 -8.208 1.00 0.00 N ATOM 0 H ARG A 62 6.844 1.738 -2.734 1.00 0.00 H new ATOM 0 HA ARG A 62 6.483 2.711 -5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.391 0.609 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.476 1.418 -5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.888 2.700 -3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.131 2.346 -4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.813 4.275 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.463 4.734 -4.433 1.00 0.00 H new ATOM 0 HE ARG A 62 8.616 3.396 -6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.755 5.511 -5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.678 6.016 -6.549 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.796 4.062 -8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.136 5.198 -8.619 1.00 0.00 H new ATOM 984 N ARG A 63 5.881 0.439 -6.585 1.00 0.00 N ATOM 985 CA ARG A 63 5.122 -0.665 -7.158 1.00 0.00 C ATOM 986 C ARG A 63 5.666 -2.018 -6.700 1.00 0.00 C ATOM 987 O ARG A 63 4.897 -2.944 -6.442 1.00 0.00 O ATOM 988 CB ARG A 63 5.126 -0.592 -8.688 1.00 0.00 C ATOM 989 CG ARG A 63 4.460 -1.791 -9.336 1.00 0.00 C ATOM 990 CD ARG A 63 4.548 -1.754 -10.852 1.00 0.00 C ATOM 991 NE ARG A 63 4.559 -3.104 -11.411 1.00 0.00 N ATOM 992 CZ ARG A 63 3.479 -3.874 -11.552 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.266 -3.401 -11.284 1.00 0.00 N ATOM 994 NH2 ARG A 63 3.617 -5.126 -11.974 1.00 0.00 N ATOM 0 H ARG A 63 6.387 1.003 -7.268 1.00 0.00 H new ATOM 0 HA ARG A 63 4.096 -0.572 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.615 0.317 -9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.155 -0.519 -9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.928 -2.705 -8.970 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.413 -1.827 -9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.702 -1.197 -11.255 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.452 -1.224 -11.154 1.00 0.00 H new ATOM 0 HE ARG A 63 5.455 -3.484 -11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.153 -2.438 -10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.449 -4.001 -11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.544 -5.493 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.796 -5.721 -12.084 1.00 0.00 H new ATOM 1008 N ASN A 64 6.988 -2.129 -6.586 1.00 0.00 N ATOM 1009 CA ASN A 64 7.614 -3.390 -6.181 1.00 0.00 C ATOM 1010 C ASN A 64 7.144 -3.799 -4.787 1.00 0.00 C ATOM 1011 O ASN A 64 6.988 -4.985 -4.496 1.00 0.00 O ATOM 1012 CB ASN A 64 9.150 -3.293 -6.219 1.00 0.00 C ATOM 1013 CG ASN A 64 9.731 -2.543 -5.034 1.00 0.00 C ATOM 1014 OD1 ASN A 64 10.080 -3.141 -4.016 1.00 0.00 O ATOM 1015 ND2 ASN A 64 9.841 -1.232 -5.157 1.00 0.00 N ATOM 0 H ASN A 64 7.644 -1.369 -6.766 1.00 0.00 H new ATOM 0 HA ASN A 64 7.308 -4.155 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.571 -4.298 -6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.454 -2.795 -7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.227 -0.679 -4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.540 -0.773 -6.017 1.00 0.00 H new ATOM 1022 N GLU A 65 6.902 -2.807 -3.935 1.00 0.00 N ATOM 1023 CA GLU A 65 6.394 -3.054 -2.595 1.00 0.00 C ATOM 1024 C GLU A 65 4.915 -3.416 -2.656 1.00 0.00 C ATOM 1025 O GLU A 65 4.434 -4.253 -1.896 1.00 0.00 O ATOM 1026 CB GLU A 65 6.600 -1.825 -1.705 1.00 0.00 C ATOM 1027 CG GLU A 65 8.056 -1.550 -1.367 1.00 0.00 C ATOM 1028 CD GLU A 65 8.539 -0.200 -1.864 1.00 0.00 C ATOM 1029 OE1 GLU A 65 7.845 0.810 -1.623 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.613 -0.147 -2.502 1.00 0.00 O ATOM 0 H GLU A 65 7.051 -1.822 -4.153 1.00 0.00 H new ATOM 0 HA GLU A 65 6.947 -3.888 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.181 -0.952 -2.205 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.041 -1.961 -0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.187 -1.601 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.677 -2.333 -1.801 1.00 0.00 H new ATOM 1037 N ALA A 66 4.207 -2.796 -3.594 1.00 0.00 N ATOM 1038 CA ALA A 66 2.774 -3.002 -3.747 1.00 0.00 C ATOM 1039 C ALA A 66 2.451 -4.422 -4.197 1.00 0.00 C ATOM 1040 O ALA A 66 1.385 -4.948 -3.882 1.00 0.00 O ATOM 1041 CB ALA A 66 2.204 -2.002 -4.737 1.00 0.00 C ATOM 0 H ALA A 66 4.608 -2.141 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 66 2.314 -2.850 -2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.132 -2.166 -4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.382 -0.989 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.688 -2.132 -5.705 1.00 0.00 H new ATOM 1047 N GLU A 67 3.365 -5.034 -4.939 1.00 0.00 N ATOM 1048 CA GLU A 67 3.169 -6.402 -5.395 1.00 0.00 C ATOM 1049 C GLU A 67 3.147 -7.361 -4.215 1.00 0.00 C ATOM 1050 O GLU A 67 2.395 -8.330 -4.209 1.00 0.00 O ATOM 1051 CB GLU A 67 4.262 -6.821 -6.372 1.00 0.00 C ATOM 1052 CG GLU A 67 4.345 -5.947 -7.608 1.00 0.00 C ATOM 1053 CD GLU A 67 5.242 -6.537 -8.672 1.00 0.00 C ATOM 1054 OE1 GLU A 67 6.478 -6.443 -8.535 1.00 0.00 O ATOM 1055 OE2 GLU A 67 4.713 -7.104 -9.652 1.00 0.00 O ATOM 0 H GLU A 67 4.243 -4.608 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 67 2.209 -6.442 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.223 -6.800 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.087 -7.852 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.345 -5.806 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.717 -4.961 -7.328 1.00 0.00 H new ATOM 1062 N GLY A 68 3.994 -7.093 -3.229 1.00 0.00 N ATOM 1063 CA GLY A 68 4.014 -7.897 -2.025 1.00 0.00 C ATOM 1064 C GLY A 68 2.745 -7.745 -1.206 1.00 0.00 C ATOM 1065 O GLY A 68 2.318 -8.673 -0.521 1.00 0.00 O ATOM 0 H GLY A 68 4.670 -6.329 -3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.146 -8.945 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.872 -7.613 -1.416 1.00 0.00 H new ATOM 1069 N ILE A 69 2.141 -6.572 -1.288 1.00 0.00 N ATOM 1070 CA ILE A 69 0.970 -6.252 -0.489 1.00 0.00 C ATOM 1071 C ILE A 69 -0.302 -6.817 -1.119 1.00 0.00 C ATOM 1072 O ILE A 69 -0.636 -6.504 -2.262 1.00 0.00 O ATOM 1073 CB ILE A 69 0.821 -4.726 -0.321 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.122 -4.126 0.220 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.345 -4.401 0.605 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.144 -2.613 0.221 1.00 0.00 C ATOM 0 H ILE A 69 2.445 -5.819 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 69 1.112 -6.710 0.490 1.00 0.00 H new ATOM 0 HB ILE A 69 0.614 -4.286 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.280 -4.483 1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.956 -4.492 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.435 -3.320 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.267 -4.802 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.169 -4.849 1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.097 -2.263 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.019 -2.247 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.332 -2.238 0.844 1.00 0.00 H new ATOM 1088 N THR A 70 -0.995 -7.660 -0.371 1.00 0.00 N ATOM 1089 CA THR A 70 -2.277 -8.191 -0.798 1.00 0.00 C ATOM 1090 C THR A 70 -3.403 -7.439 -0.088 1.00 0.00 C ATOM 1091 O THR A 70 -3.344 -7.224 1.127 1.00 0.00 O ATOM 1092 CB THR A 70 -2.377 -9.702 -0.508 1.00 0.00 C ATOM 1093 OG1 THR A 70 -1.272 -10.385 -1.120 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.685 -10.281 -1.032 1.00 0.00 C ATOM 0 H THR A 70 -0.687 -7.993 0.543 1.00 0.00 H new ATOM 0 HA THR A 70 -2.370 -8.052 -1.875 1.00 0.00 H new ATOM 0 HB THR A 70 -2.350 -9.842 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.337 -11.345 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.725 -11.348 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.524 -9.779 -0.550 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.743 -10.131 -2.110 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.406 -7.015 -0.848 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.489 -6.210 -0.299 1.00 0.00 C ATOM 1104 C VAL A 71 -6.855 -6.810 -0.612 1.00 0.00 C ATOM 1105 O VAL A 71 -7.002 -7.613 -1.538 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.450 -4.760 -0.838 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -4.162 -4.057 -0.433 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.625 -4.743 -2.352 1.00 0.00 C ATOM 0 H VAL A 71 -4.491 -7.215 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.341 -6.199 0.781 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.281 -4.214 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.163 -3.040 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.091 -4.026 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.308 -4.601 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.595 -3.714 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.821 -5.313 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.585 -5.190 -2.612 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.845 -6.421 0.177 1.00 0.00 N ATOM 1119 CA HIS A 72 -9.226 -6.811 -0.062 1.00 0.00 C ATOM 1120 C HIS A 72 -10.095 -5.561 -0.177 1.00 0.00 C ATOM 1121 O HIS A 72 -10.134 -4.740 0.741 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.730 -7.720 1.066 1.00 0.00 C ATOM 1123 CG HIS A 72 -11.159 -8.161 0.904 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.508 -9.174 0.042 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.276 -7.693 1.512 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.822 -9.299 0.145 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -13.329 -8.424 1.023 1.00 0.00 N ATOM 0 H HIS A 72 -7.715 -5.829 0.997 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.284 -7.371 -0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -9.092 -8.602 1.120 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.628 -7.194 2.015 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.327 -6.898 2.241 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.410 -10.016 -0.409 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.311 -8.321 1.279 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.766 -5.417 -1.312 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.593 -4.243 -1.583 1.00 0.00 C ATOM 1137 C ILE A 73 -12.777 -4.151 -0.622 1.00 0.00 C ATOM 1138 O ILE A 73 -13.559 -5.090 -0.484 1.00 0.00 O ATOM 1139 CB ILE A 73 -12.099 -4.249 -3.044 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.937 -3.970 -3.997 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -13.212 -3.230 -3.245 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -10.350 -2.584 -3.842 1.00 0.00 C ATOM 0 H ILE A 73 -10.755 -6.103 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.964 -3.366 -1.430 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.510 -5.235 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.154 -4.709 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.280 -4.098 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.547 -3.257 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -14.047 -3.469 -2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.839 -2.233 -3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.530 -2.455 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.120 -1.838 -4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.976 -2.459 -2.826 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.897 -3.006 0.035 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.997 -2.758 0.949 1.00 0.00 C ATOM 1156 C LEU A 74 -15.155 -2.120 0.197 1.00 0.00 C ATOM 1157 O LEU A 74 -15.314 -0.897 0.185 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.549 -1.859 2.104 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.400 -2.412 2.951 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -12.035 -1.434 4.057 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.770 -3.767 3.535 1.00 0.00 C ATOM 0 H LEU A 74 -12.240 -2.231 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 74 -14.326 -3.708 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.247 -0.894 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.404 -1.677 2.755 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.530 -2.543 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.217 -1.843 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.726 -0.486 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.901 -1.271 4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.941 -4.144 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.654 -3.663 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.981 -4.467 2.726 1.00 0.00 H new