USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Set 1.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 8 GLN : amide:sc= -3.99! C(o=-4!,f=-8.2!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.0493 (180deg=-0.48) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -80:sc= -0.0721 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 73:sc= 0.914 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.27) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 49 GLN : amide:sc=-0.00221 K(o=-0.0022,f=-1.6!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.67! C(o=-2.7!,f=-4.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 167:sc= 0 (180deg=-0.32) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0457 (180deg=-0.447) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.906 -5.532 -13.860 1.00 0.00 N ATOM 2 CA ALA A 1 -23.964 -4.683 -13.079 1.00 0.00 C ATOM 3 C ALA A 1 -22.802 -5.540 -12.592 1.00 0.00 C ATOM 4 O ALA A 1 -23.002 -6.568 -11.949 1.00 0.00 O ATOM 5 CB ALA A 1 -24.696 -4.076 -11.880 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.701 -4.951 -14.195 1.00 0.00 H new ATOM 0 H2 ALA A 1 -24.409 -5.942 -14.676 1.00 0.00 H new ATOM 0 H3 ALA A 1 -25.267 -6.297 -13.255 1.00 0.00 H new ATOM 0 HA ALA A 1 -23.584 -3.880 -13.711 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -24.006 -3.455 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -25.527 -3.465 -12.232 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -25.077 -4.875 -11.244 1.00 0.00 H new ATOM 13 N ASP A 2 -21.585 -5.107 -12.906 1.00 0.00 N ATOM 14 CA ASP A 2 -20.381 -5.833 -12.501 1.00 0.00 C ATOM 15 C ASP A 2 -19.264 -4.846 -12.180 1.00 0.00 C ATOM 16 O ASP A 2 -18.919 -4.002 -13.008 1.00 0.00 O ATOM 17 CB ASP A 2 -19.946 -6.775 -13.623 1.00 0.00 C ATOM 18 CG ASP A 2 -18.859 -7.717 -13.118 1.00 0.00 C ATOM 19 OD1 ASP A 2 -18.935 -8.110 -11.967 1.00 0.00 O ATOM 20 OD2 ASP A 2 -17.968 -8.030 -13.890 1.00 0.00 O ATOM 0 H ASP A 2 -21.404 -4.257 -13.440 1.00 0.00 H new ATOM 0 HA ASP A 2 -20.598 -6.421 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -20.801 -7.350 -13.979 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.575 -6.198 -14.470 1.00 0.00 H new ATOM 25 N GLN A 3 -18.710 -4.939 -10.969 1.00 0.00 N ATOM 26 CA GLN A 3 -17.640 -4.032 -10.549 1.00 0.00 C ATOM 27 C GLN A 3 -16.686 -4.730 -9.577 1.00 0.00 C ATOM 28 O GLN A 3 -16.163 -5.804 -9.875 1.00 0.00 O ATOM 29 CB GLN A 3 -18.242 -2.788 -9.880 1.00 0.00 C ATOM 30 CG GLN A 3 -19.077 -2.006 -10.896 1.00 0.00 C ATOM 31 CD GLN A 3 -19.528 -0.685 -10.288 1.00 0.00 C ATOM 32 OE1 GLN A 3 -19.912 -0.635 -9.119 1.00 0.00 O ATOM 33 NE2 GLN A 3 -19.502 0.396 -11.016 1.00 0.00 N ATOM 0 H GLN A 3 -18.982 -5.627 -10.267 1.00 0.00 H new ATOM 0 HA GLN A 3 -17.077 -3.733 -11.433 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -18.864 -3.083 -9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -17.447 -2.155 -9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.491 -1.821 -11.796 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -19.945 -2.593 -11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -19.183 0.351 -11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -19.800 1.286 -10.618 1.00 0.00 H new ATOM 42 N LEU A 4 -16.454 -4.106 -8.421 1.00 0.00 N ATOM 43 CA LEU A 4 -15.552 -4.657 -7.404 1.00 0.00 C ATOM 44 C LEU A 4 -16.349 -5.369 -6.313 1.00 0.00 C ATOM 45 O LEU A 4 -17.557 -5.173 -6.192 1.00 0.00 O ATOM 46 CB LEU A 4 -14.719 -3.524 -6.791 1.00 0.00 C ATOM 47 CG LEU A 4 -13.732 -2.980 -7.835 1.00 0.00 C ATOM 48 CD1 LEU A 4 -13.145 -1.655 -7.338 1.00 0.00 C ATOM 49 CD2 LEU A 4 -12.587 -3.987 -8.075 1.00 0.00 C ATOM 0 H LEU A 4 -16.879 -3.215 -8.164 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.888 -5.382 -7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.374 -2.724 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.176 -3.890 -5.920 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.265 -2.823 -8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.444 -1.267 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.949 -0.935 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.623 -1.819 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.898 -3.584 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.053 -4.160 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.000 -4.929 -8.437 1.00 0.00 H new ATOM 61 N THR A 5 -15.668 -6.210 -5.528 1.00 0.00 N ATOM 62 CA THR A 5 -16.330 -6.964 -4.457 1.00 0.00 C ATOM 63 C THR A 5 -15.982 -6.396 -3.086 1.00 0.00 C ATOM 64 O THR A 5 -14.955 -5.743 -2.910 1.00 0.00 O ATOM 65 CB THR A 5 -15.897 -8.438 -4.507 1.00 0.00 C ATOM 66 OG1 THR A 5 -15.883 -8.879 -5.854 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.877 -9.294 -3.699 1.00 0.00 C ATOM 0 H THR A 5 -14.667 -6.385 -5.612 1.00 0.00 H new ATOM 0 HA THR A 5 -17.406 -6.883 -4.611 1.00 0.00 H new ATOM 0 HB THR A 5 -14.899 -8.535 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.605 -9.818 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.566 -10.338 -3.738 1.00 0.00 H new ATOM 0 HG22 THR A 5 -16.886 -8.956 -2.663 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.877 -9.198 -4.121 1.00 0.00 H new ATOM 75 N ASP A 6 -16.837 -6.684 -2.113 1.00 0.00 N ATOM 76 CA ASP A 6 -16.614 -6.239 -0.746 1.00 0.00 C ATOM 77 C ASP A 6 -15.370 -6.920 -0.194 1.00 0.00 C ATOM 78 O ASP A 6 -14.632 -6.350 0.610 1.00 0.00 O ATOM 79 CB ASP A 6 -17.814 -6.613 0.124 1.00 0.00 C ATOM 80 CG ASP A 6 -19.017 -5.758 -0.252 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.840 -4.826 -1.020 1.00 0.00 O ATOM 82 OD2 ASP A 6 -20.100 -6.050 0.226 1.00 0.00 O ATOM 0 H ASP A 6 -17.692 -7.224 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.483 -5.157 -0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.053 -7.669 -0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.570 -6.469 1.176 1.00 0.00 H new ATOM 87 N GLU A 7 -15.159 -8.156 -0.633 1.00 0.00 N ATOM 88 CA GLU A 7 -14.018 -8.939 -0.188 1.00 0.00 C ATOM 89 C GLU A 7 -12.710 -8.269 -0.586 1.00 0.00 C ATOM 90 O GLU A 7 -11.794 -8.153 0.221 1.00 0.00 O ATOM 91 CB GLU A 7 -14.070 -10.330 -0.816 1.00 0.00 C ATOM 92 CG GLU A 7 -15.256 -11.108 -0.246 1.00 0.00 C ATOM 93 CD GLU A 7 -15.362 -12.463 -0.935 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.520 -12.746 -1.772 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.283 -13.197 -0.619 1.00 0.00 O ATOM 0 H GLU A 7 -15.766 -8.636 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.063 -9.014 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.163 -10.248 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.142 -10.865 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.131 -11.245 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.177 -10.543 -0.390 1.00 0.00 H new ATOM 102 N GLN A 8 -12.632 -7.820 -1.828 1.00 0.00 N ATOM 103 CA GLN A 8 -11.426 -7.163 -2.303 1.00 0.00 C ATOM 104 C GLN A 8 -11.202 -5.875 -1.522 1.00 0.00 C ATOM 105 O GLN A 8 -10.069 -5.518 -1.202 1.00 0.00 O ATOM 106 CB GLN A 8 -11.554 -6.863 -3.806 1.00 0.00 C ATOM 107 CG GLN A 8 -11.217 -8.114 -4.629 1.00 0.00 C ATOM 108 CD GLN A 8 -12.019 -9.312 -4.124 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.806 -9.771 -3.003 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.927 -9.851 -4.893 1.00 0.00 N ATOM 0 H GLN A 8 -13.379 -7.897 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.570 -7.821 -2.149 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.568 -6.532 -4.033 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.884 -6.048 -4.080 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.439 -7.936 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.150 -8.327 -4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.101 -9.468 -5.822 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.462 -10.655 -4.564 1.00 0.00 H new ATOM 119 N ILE A 9 -12.292 -5.203 -1.191 1.00 0.00 N ATOM 120 CA ILE A 9 -12.202 -3.973 -0.421 1.00 0.00 C ATOM 121 C ILE A 9 -11.891 -4.290 1.037 1.00 0.00 C ATOM 122 O ILE A 9 -10.937 -3.771 1.614 1.00 0.00 O ATOM 123 CB ILE A 9 -13.514 -3.203 -0.530 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.794 -2.915 -2.009 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.392 -1.880 0.231 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.224 -2.407 -2.172 1.00 0.00 C ATOM 0 H ILE A 9 -13.240 -5.484 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.396 -3.357 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.327 -3.791 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.089 -2.173 -2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.650 -3.820 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.329 -1.328 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.175 -2.082 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.585 -1.286 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.420 -2.203 -3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.922 -3.163 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.353 -1.491 -1.595 1.00 0.00 H new ATOM 138 N SER A 10 -12.713 -5.139 1.636 1.00 0.00 N ATOM 139 CA SER A 10 -12.507 -5.496 3.031 1.00 0.00 C ATOM 140 C SER A 10 -11.099 -6.046 3.226 1.00 0.00 C ATOM 141 O SER A 10 -10.368 -5.596 4.107 1.00 0.00 O ATOM 142 CB SER A 10 -13.528 -6.542 3.459 1.00 0.00 C ATOM 143 OG SER A 10 -13.269 -6.925 4.802 1.00 0.00 O ATOM 0 H SER A 10 -13.513 -5.586 1.189 1.00 0.00 H new ATOM 0 HA SER A 10 -12.631 -4.603 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.537 -6.140 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.473 -7.411 2.803 1.00 0.00 H new ATOM 0 HG SER A 10 -13.925 -7.597 5.083 1.00 0.00 H new ATOM 149 N GLU A 11 -10.708 -7.001 2.382 1.00 0.00 N ATOM 150 CA GLU A 11 -9.369 -7.570 2.481 1.00 0.00 C ATOM 151 C GLU A 11 -8.325 -6.462 2.374 1.00 0.00 C ATOM 152 O GLU A 11 -7.350 -6.448 3.124 1.00 0.00 O ATOM 153 CB GLU A 11 -9.147 -8.585 1.363 1.00 0.00 C ATOM 154 CG GLU A 11 -9.950 -9.865 1.634 1.00 0.00 C ATOM 155 CD GLU A 11 -9.376 -10.602 2.841 1.00 0.00 C ATOM 156 OE1 GLU A 11 -8.218 -10.371 3.153 1.00 0.00 O ATOM 157 OE2 GLU A 11 -10.094 -11.397 3.423 1.00 0.00 O ATOM 0 H GLU A 11 -11.287 -7.389 1.638 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.271 -8.070 3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.448 -8.155 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.086 -8.823 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.996 -9.616 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.923 -10.512 0.757 1.00 0.00 H new ATOM 164 N PHE A 12 -8.555 -5.522 1.455 1.00 0.00 N ATOM 165 CA PHE A 12 -7.647 -4.399 1.271 1.00 0.00 C ATOM 166 C PHE A 12 -7.592 -3.580 2.557 1.00 0.00 C ATOM 167 O PHE A 12 -6.518 -3.243 3.058 1.00 0.00 O ATOM 168 CB PHE A 12 -8.174 -3.533 0.102 1.00 0.00 C ATOM 169 CG PHE A 12 -7.624 -4.038 -1.217 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.476 -5.416 -1.434 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.262 -3.134 -2.224 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.970 -5.880 -2.647 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.765 -3.605 -3.441 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.621 -4.972 -3.652 1.00 0.00 C ATOM 0 H PHE A 12 -9.361 -5.520 0.830 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.642 -4.751 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.264 -3.559 0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.883 -2.493 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.754 -6.117 -0.661 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.367 -2.072 -2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.847 -6.940 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.492 -2.907 -4.219 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.238 -5.334 -4.595 1.00 0.00 H new ATOM 184 N LYS A 13 -8.770 -3.270 3.074 1.00 0.00 N ATOM 185 CA LYS A 13 -8.906 -2.488 4.293 1.00 0.00 C ATOM 186 C LYS A 13 -8.250 -3.180 5.484 1.00 0.00 C ATOM 187 O LYS A 13 -7.545 -2.541 6.267 1.00 0.00 O ATOM 188 CB LYS A 13 -10.409 -2.283 4.563 1.00 0.00 C ATOM 189 CG LYS A 13 -10.933 -1.038 3.832 1.00 0.00 C ATOM 190 CD LYS A 13 -10.699 0.201 4.702 1.00 0.00 C ATOM 191 CE LYS A 13 -11.316 1.426 4.041 1.00 0.00 C ATOM 192 NZ LYS A 13 -12.800 1.293 4.044 1.00 0.00 N ATOM 0 H LYS A 13 -9.659 -3.553 2.661 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.402 -1.531 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.964 -3.162 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.579 -2.179 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.425 -0.924 2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.996 -1.149 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.137 0.051 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.630 0.356 4.848 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.019 2.329 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.950 1.525 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.233 2.234 3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.097 0.696 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.108 0.856 4.936 1.00 0.00 H new ATOM 206 N GLU A 14 -8.473 -4.480 5.621 1.00 0.00 N ATOM 207 CA GLU A 14 -7.882 -5.212 6.725 1.00 0.00 C ATOM 208 C GLU A 14 -6.368 -5.161 6.605 1.00 0.00 C ATOM 209 O GLU A 14 -5.664 -4.905 7.576 1.00 0.00 O ATOM 210 CB GLU A 14 -8.347 -6.667 6.700 1.00 0.00 C ATOM 211 CG GLU A 14 -9.841 -6.755 7.021 1.00 0.00 C ATOM 212 CD GLU A 14 -10.094 -6.337 8.465 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.422 -6.862 9.337 1.00 0.00 O ATOM 214 OE2 GLU A 14 -10.960 -5.506 8.677 1.00 0.00 O ATOM 0 H GLU A 14 -9.049 -5.039 4.992 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.194 -4.757 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.153 -7.101 5.719 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.778 -7.250 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.404 -6.112 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.195 -7.773 6.862 1.00 0.00 H new ATOM 221 N ALA A 15 -5.884 -5.387 5.391 1.00 0.00 N ATOM 222 CA ALA A 15 -4.452 -5.358 5.126 1.00 0.00 C ATOM 223 C ALA A 15 -3.866 -4.004 5.498 1.00 0.00 C ATOM 224 O ALA A 15 -2.841 -3.923 6.168 1.00 0.00 O ATOM 225 CB ALA A 15 -4.208 -5.612 3.635 1.00 0.00 C ATOM 0 H ALA A 15 -6.461 -5.592 4.575 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.971 -6.130 5.726 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.137 -5.591 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.610 -6.588 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.703 -4.838 3.048 1.00 0.00 H new ATOM 231 N PHE A 16 -4.499 -2.941 5.026 1.00 0.00 N ATOM 232 CA PHE A 16 -4.025 -1.591 5.285 1.00 0.00 C ATOM 233 C PHE A 16 -4.094 -1.193 6.765 1.00 0.00 C ATOM 234 O PHE A 16 -3.106 -0.701 7.309 1.00 0.00 O ATOM 235 CB PHE A 16 -4.847 -0.637 4.437 1.00 0.00 C ATOM 236 CG PHE A 16 -4.416 0.778 4.706 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.930 1.462 5.807 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.501 1.407 3.853 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.530 2.778 6.058 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.104 2.721 4.100 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.614 3.408 5.199 1.00 0.00 C ATOM 0 H PHE A 16 -5.346 -2.988 4.459 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.969 -1.544 5.021 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.719 -0.872 3.380 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.907 -0.754 4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.636 0.976 6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.102 0.874 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.925 3.310 6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.401 3.206 3.439 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.305 4.425 5.391 1.00 0.00 H new ATOM 251 N SER A 17 -5.235 -1.410 7.419 1.00 0.00 N ATOM 252 CA SER A 17 -5.347 -1.055 8.835 1.00 0.00 C ATOM 253 C SER A 17 -4.321 -1.848 9.619 1.00 0.00 C ATOM 254 O SER A 17 -3.708 -1.349 10.565 1.00 0.00 O ATOM 255 CB SER A 17 -6.738 -1.355 9.383 1.00 0.00 C ATOM 256 OG SER A 17 -6.697 -1.322 10.809 1.00 0.00 O ATOM 0 H SER A 17 -6.074 -1.818 7.006 1.00 0.00 H new ATOM 0 HA SER A 17 -5.171 0.016 8.936 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.454 -0.623 9.011 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.074 -2.333 9.039 1.00 0.00 H new ATOM 0 HG SER A 17 -7.589 -1.513 11.166 1.00 0.00 H new ATOM 262 N LEU A 18 -4.140 -3.091 9.199 1.00 0.00 N ATOM 263 CA LEU A 18 -3.188 -3.995 9.816 1.00 0.00 C ATOM 264 C LEU A 18 -1.770 -3.438 9.678 1.00 0.00 C ATOM 265 O LEU A 18 -0.992 -3.450 10.631 1.00 0.00 O ATOM 266 CB LEU A 18 -3.336 -5.336 9.083 1.00 0.00 C ATOM 267 CG LEU A 18 -2.310 -6.374 9.526 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.567 -6.778 10.979 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.476 -7.601 8.621 1.00 0.00 C ATOM 0 H LEU A 18 -4.652 -3.500 8.418 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.375 -4.117 10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.339 -5.728 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.237 -5.170 8.010 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.302 -5.966 9.452 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.830 -7.519 11.286 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.488 -5.900 11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.567 -7.203 11.067 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.756 -8.366 8.910 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.487 -7.996 8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.304 -7.314 7.584 1.00 0.00 H new ATOM 281 N PHE A 19 -1.446 -2.939 8.490 1.00 0.00 N ATOM 282 CA PHE A 19 -0.124 -2.374 8.246 1.00 0.00 C ATOM 283 C PHE A 19 0.086 -1.109 9.071 1.00 0.00 C ATOM 284 O PHE A 19 1.221 -0.737 9.360 1.00 0.00 O ATOM 285 CB PHE A 19 0.068 -2.053 6.750 1.00 0.00 C ATOM 286 CG PHE A 19 0.131 -3.324 5.904 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.861 -4.446 6.336 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.551 -3.383 4.679 1.00 0.00 C ATOM 289 CE1 PHE A 19 0.909 -5.594 5.560 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.501 -4.550 3.900 1.00 0.00 C ATOM 291 CZ PHE A 19 0.232 -5.653 4.345 1.00 0.00 C ATOM 0 H PHE A 19 -2.075 -2.914 7.687 1.00 0.00 H new ATOM 0 HA PHE A 19 0.614 -3.118 8.546 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.753 -1.426 6.404 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.985 -1.480 6.615 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.388 -4.413 7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.115 -2.529 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.475 -6.448 5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.028 -4.595 2.958 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.273 -6.551 3.747 1.00 0.00 H new ATOM 301 N ASP A 20 -1.000 -0.447 9.443 1.00 0.00 N ATOM 302 CA ASP A 20 -0.896 0.781 10.229 1.00 0.00 C ATOM 303 C ASP A 20 -0.833 0.484 11.730 1.00 0.00 C ATOM 304 O ASP A 20 -1.853 0.494 12.416 1.00 0.00 O ATOM 305 CB ASP A 20 -2.104 1.670 9.938 1.00 0.00 C ATOM 306 CG ASP A 20 -1.844 3.094 10.429 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.688 3.496 10.459 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.806 3.768 10.763 1.00 0.00 O ATOM 0 H ASP A 20 -1.953 -0.732 9.219 1.00 0.00 H new ATOM 0 HA ASP A 20 0.026 1.289 9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.308 1.679 8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.989 1.265 10.428 1.00 0.00 H new ATOM 313 N LYS A 21 0.372 0.211 12.231 1.00 0.00 N ATOM 314 CA LYS A 21 0.546 -0.095 13.656 1.00 0.00 C ATOM 315 C LYS A 21 0.260 1.128 14.522 1.00 0.00 C ATOM 316 O LYS A 21 0.063 1.011 15.729 1.00 0.00 O ATOM 317 CB LYS A 21 1.966 -0.591 13.925 1.00 0.00 C ATOM 318 CG LYS A 21 2.985 0.496 13.567 1.00 0.00 C ATOM 319 CD LYS A 21 4.399 -0.106 13.541 1.00 0.00 C ATOM 320 CE LYS A 21 4.845 -0.461 14.965 1.00 0.00 C ATOM 321 NZ LYS A 21 6.306 -0.754 14.970 1.00 0.00 N ATOM 0 H LYS A 21 1.232 0.195 11.683 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.166 -0.878 13.916 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.070 -0.865 14.975 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.162 -1.490 13.340 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.745 0.927 12.595 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.938 1.306 14.295 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.412 -0.998 12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.097 0.605 13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.627 0.365 15.642 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.289 -1.326 15.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.608 -0.995 15.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.502 -1.555 14.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.829 0.083 14.642 1.00 0.00 H new ATOM 335 N ASP A 22 0.253 2.302 13.904 1.00 0.00 N ATOM 336 CA ASP A 22 -0.004 3.544 14.636 1.00 0.00 C ATOM 337 C ASP A 22 -1.467 3.958 14.523 1.00 0.00 C ATOM 338 O ASP A 22 -1.870 4.979 15.082 1.00 0.00 O ATOM 339 CB ASP A 22 0.879 4.648 14.071 1.00 0.00 C ATOM 340 CG ASP A 22 0.549 5.986 14.707 1.00 0.00 C ATOM 341 OD1 ASP A 22 0.126 5.993 15.854 1.00 0.00 O ATOM 342 OD2 ASP A 22 0.731 6.984 14.031 1.00 0.00 O ATOM 0 H ASP A 22 0.421 2.425 12.905 1.00 0.00 H new ATOM 0 HA ASP A 22 0.223 3.378 15.689 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.927 4.406 14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.743 4.711 12.991 1.00 0.00 H new ATOM 347 N GLY A 23 -2.259 3.168 13.798 1.00 0.00 N ATOM 348 CA GLY A 23 -3.682 3.474 13.626 1.00 0.00 C ATOM 349 C GLY A 23 -3.910 4.977 13.478 1.00 0.00 C ATOM 350 O GLY A 23 -4.699 5.568 14.216 1.00 0.00 O ATOM 0 H GLY A 23 -1.946 2.321 13.325 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.064 2.957 12.746 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.243 3.101 14.483 1.00 0.00 H new ATOM 354 N ASP A 24 -3.207 5.594 12.526 1.00 0.00 N ATOM 355 CA ASP A 24 -3.330 7.037 12.289 1.00 0.00 C ATOM 356 C ASP A 24 -3.993 7.315 10.947 1.00 0.00 C ATOM 357 O ASP A 24 -4.034 8.458 10.491 1.00 0.00 O ATOM 358 CB ASP A 24 -1.946 7.689 12.321 1.00 0.00 C ATOM 359 CG ASP A 24 -1.136 7.287 11.092 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.534 6.347 10.423 1.00 0.00 O ATOM 361 OD2 ASP A 24 -0.132 7.930 10.834 1.00 0.00 O ATOM 0 H ASP A 24 -2.548 5.120 11.908 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.953 7.459 13.077 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.049 8.773 12.357 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.417 7.389 13.226 1.00 0.00 H new ATOM 366 N GLY A 25 -4.512 6.269 10.313 1.00 0.00 N ATOM 367 CA GLY A 25 -5.171 6.428 9.026 1.00 0.00 C ATOM 368 C GLY A 25 -4.154 6.542 7.896 1.00 0.00 C ATOM 369 O GLY A 25 -4.524 6.735 6.738 1.00 0.00 O ATOM 0 H GLY A 25 -4.489 5.312 10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.828 5.577 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.800 7.318 9.044 1.00 0.00 H new ATOM 373 N CYS A 26 -2.868 6.417 8.230 1.00 0.00 N ATOM 374 CA CYS A 26 -1.814 6.504 7.218 1.00 0.00 C ATOM 375 C CYS A 26 -0.690 5.514 7.516 1.00 0.00 C ATOM 376 O CYS A 26 -0.360 5.260 8.674 1.00 0.00 O ATOM 377 CB CYS A 26 -1.238 7.921 7.178 1.00 0.00 C ATOM 378 SG CYS A 26 -2.583 9.121 7.014 1.00 0.00 S ATOM 0 H CYS A 26 -2.534 6.257 9.181 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.255 6.259 6.252 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.670 8.119 8.087 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.546 8.019 6.342 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.961 9.182 5.772 1.00 0.00 H new ATOM 384 N ILE A 27 -0.081 4.984 6.453 1.00 0.00 N ATOM 385 CA ILE A 27 1.039 4.054 6.586 1.00 0.00 C ATOM 386 C ILE A 27 2.290 4.762 6.096 1.00 0.00 C ATOM 387 O ILE A 27 2.315 5.262 4.972 1.00 0.00 O ATOM 388 CB ILE A 27 0.820 2.798 5.727 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.463 2.091 6.154 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.002 1.833 5.897 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.776 0.980 5.148 1.00 0.00 C ATOM 0 H ILE A 27 -0.347 5.185 5.489 1.00 0.00 H new ATOM 0 HA ILE A 27 1.130 3.748 7.628 1.00 0.00 H new ATOM 0 HB ILE A 27 0.741 3.100 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.348 1.673 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.288 2.802 6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.838 0.946 5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.922 2.326 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.086 1.541 6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.692 0.468 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.907 1.413 4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.048 0.266 5.126 1.00 0.00 H new ATOM 403 N THR A 28 3.328 4.809 6.916 1.00 0.00 N ATOM 404 CA THR A 28 4.563 5.455 6.495 1.00 0.00 C ATOM 405 C THR A 28 5.410 4.425 5.751 1.00 0.00 C ATOM 406 O THR A 28 5.181 3.219 5.879 1.00 0.00 O ATOM 407 CB THR A 28 5.307 6.026 7.708 1.00 0.00 C ATOM 408 OG1 THR A 28 5.726 4.964 8.552 1.00 0.00 O ATOM 409 CG2 THR A 28 4.376 6.963 8.492 1.00 0.00 C ATOM 0 H THR A 28 3.343 4.417 7.858 1.00 0.00 H new ATOM 0 HA THR A 28 4.348 6.291 5.830 1.00 0.00 H new ATOM 0 HB THR A 28 6.178 6.584 7.365 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.203 5.330 9.326 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.908 7.367 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.056 7.781 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.503 6.407 8.833 1.00 0.00 H new ATOM 417 N THR A 29 6.369 4.885 4.960 1.00 0.00 N ATOM 418 CA THR A 29 7.201 3.967 4.194 1.00 0.00 C ATOM 419 C THR A 29 7.916 2.999 5.126 1.00 0.00 C ATOM 420 O THR A 29 8.204 1.862 4.755 1.00 0.00 O ATOM 421 CB THR A 29 8.222 4.749 3.371 1.00 0.00 C ATOM 422 OG1 THR A 29 8.922 5.647 4.221 1.00 0.00 O ATOM 423 CG2 THR A 29 7.497 5.535 2.276 1.00 0.00 C ATOM 0 H THR A 29 6.589 5.873 4.832 1.00 0.00 H new ATOM 0 HA THR A 29 6.562 3.397 3.519 1.00 0.00 H new ATOM 0 HB THR A 29 8.930 4.059 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.579 6.149 3.696 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.224 6.094 1.687 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.959 4.844 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.790 6.228 2.733 1.00 0.00 H new ATOM 431 N LYS A 30 8.192 3.457 6.340 1.00 0.00 N ATOM 432 CA LYS A 30 8.863 2.614 7.328 1.00 0.00 C ATOM 433 C LYS A 30 7.975 1.435 7.707 1.00 0.00 C ATOM 434 O LYS A 30 8.410 0.282 7.708 1.00 0.00 O ATOM 435 CB LYS A 30 9.181 3.435 8.578 1.00 0.00 C ATOM 436 CG LYS A 30 9.874 2.562 9.641 1.00 0.00 C ATOM 437 CD LYS A 30 11.208 2.037 9.094 1.00 0.00 C ATOM 438 CE LYS A 30 12.111 1.613 10.247 1.00 0.00 C ATOM 439 NZ LYS A 30 13.395 1.098 9.697 1.00 0.00 N ATOM 0 H LYS A 30 7.966 4.397 6.665 1.00 0.00 H new ATOM 0 HA LYS A 30 9.789 2.236 6.894 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.824 4.274 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.262 3.854 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.046 3.144 10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.229 1.727 9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.031 1.191 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.698 2.810 8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.298 2.459 10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.622 0.843 10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.016 0.807 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.206 0.281 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.861 1.846 9.145 1.00 0.00 H new ATOM 453 N GLU A 31 6.721 1.741 8.004 1.00 0.00 N ATOM 454 CA GLU A 31 5.749 0.720 8.361 1.00 0.00 C ATOM 455 C GLU A 31 5.601 -0.234 7.192 1.00 0.00 C ATOM 456 O GLU A 31 5.659 -1.457 7.348 1.00 0.00 O ATOM 457 CB GLU A 31 4.415 1.402 8.659 1.00 0.00 C ATOM 458 CG GLU A 31 4.492 2.136 9.997 1.00 0.00 C ATOM 459 CD GLU A 31 3.272 3.041 10.170 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.903 3.697 9.209 1.00 0.00 O ATOM 461 OE2 GLU A 31 2.729 3.067 11.260 1.00 0.00 O ATOM 0 H GLU A 31 6.352 2.692 8.005 1.00 0.00 H new ATOM 0 HA GLU A 31 6.073 0.164 9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.170 2.105 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.616 0.661 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.539 1.416 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.405 2.730 10.043 1.00 0.00 H new ATOM 468 N LEU A 32 5.450 0.353 6.011 1.00 0.00 N ATOM 469 CA LEU A 32 5.342 -0.427 4.795 1.00 0.00 C ATOM 470 C LEU A 32 6.657 -1.173 4.609 1.00 0.00 C ATOM 471 O LEU A 32 6.682 -2.344 4.238 1.00 0.00 O ATOM 472 CB LEU A 32 5.059 0.498 3.605 1.00 0.00 C ATOM 473 CG LEU A 32 4.840 -0.328 2.323 1.00 0.00 C ATOM 474 CD1 LEU A 32 3.464 -1.009 2.352 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.917 0.586 1.096 1.00 0.00 C ATOM 0 H LEU A 32 5.400 1.363 5.875 1.00 0.00 H new ATOM 0 HA LEU A 32 4.519 -1.139 4.859 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.177 1.105 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.893 1.186 3.464 1.00 0.00 H new ATOM 0 HG LEU A 32 5.618 -1.090 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.325 -1.588 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.404 -1.672 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.684 -0.251 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.761 -0.004 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.146 1.354 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.898 1.059 1.056 1.00 0.00 H new ATOM 487 N GLY A 33 7.753 -0.483 4.894 1.00 0.00 N ATOM 488 CA GLY A 33 9.069 -1.088 4.781 1.00 0.00 C ATOM 489 C GLY A 33 9.186 -2.284 5.722 1.00 0.00 C ATOM 490 O GLY A 33 9.635 -3.356 5.318 1.00 0.00 O ATOM 0 H GLY A 33 7.756 0.489 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.243 -1.407 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.837 -0.352 5.020 1.00 0.00 H new ATOM 494 N THR A 34 8.758 -2.107 6.977 1.00 0.00 N ATOM 495 CA THR A 34 8.813 -3.203 7.946 1.00 0.00 C ATOM 496 C THR A 34 8.213 -4.436 7.294 1.00 0.00 C ATOM 497 O THR A 34 8.785 -5.523 7.311 1.00 0.00 O ATOM 498 CB THR A 34 7.972 -2.840 9.183 1.00 0.00 C ATOM 499 OG1 THR A 34 8.322 -1.539 9.633 1.00 0.00 O ATOM 500 CG2 THR A 34 8.214 -3.850 10.307 1.00 0.00 C ATOM 0 H THR A 34 8.377 -1.233 7.339 1.00 0.00 H new ATOM 0 HA THR A 34 9.844 -3.385 8.249 1.00 0.00 H new ATOM 0 HB THR A 34 6.917 -2.862 8.908 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.965 -0.871 9.011 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.612 -3.580 11.175 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.933 -4.847 9.967 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.269 -3.844 10.581 1.00 0.00 H new ATOM 508 N VAL A 35 7.041 -4.220 6.730 1.00 0.00 N ATOM 509 CA VAL A 35 6.305 -5.272 6.061 1.00 0.00 C ATOM 510 C VAL A 35 7.062 -5.799 4.836 1.00 0.00 C ATOM 511 O VAL A 35 7.263 -7.010 4.696 1.00 0.00 O ATOM 512 CB VAL A 35 4.947 -4.697 5.664 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.187 -5.656 4.746 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.136 -4.426 6.944 1.00 0.00 C ATOM 0 H VAL A 35 6.574 -3.313 6.723 1.00 0.00 H new ATOM 0 HA VAL A 35 6.179 -6.123 6.730 1.00 0.00 H new ATOM 0 HB VAL A 35 5.098 -3.769 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.224 -5.219 4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.768 -5.831 3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.026 -6.603 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.162 -4.015 6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.998 -5.358 7.492 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.672 -3.713 7.570 1.00 0.00 H new ATOM 524 N MET A 36 7.496 -4.897 3.957 1.00 0.00 N ATOM 525 CA MET A 36 8.226 -5.317 2.774 1.00 0.00 C ATOM 526 C MET A 36 9.529 -5.993 3.193 1.00 0.00 C ATOM 527 O MET A 36 9.871 -7.062 2.699 1.00 0.00 O ATOM 528 CB MET A 36 8.522 -4.094 1.905 1.00 0.00 C ATOM 529 CG MET A 36 7.268 -3.694 1.120 1.00 0.00 C ATOM 530 SD MET A 36 6.911 -4.947 -0.143 1.00 0.00 S ATOM 531 CE MET A 36 6.637 -3.827 -1.537 1.00 0.00 C ATOM 0 H MET A 36 7.356 -3.890 4.043 1.00 0.00 H new ATOM 0 HA MET A 36 7.628 -6.027 2.202 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.850 -3.264 2.531 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.337 -4.316 1.216 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.420 -3.594 1.797 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.416 -2.722 0.650 1.00 0.00 H new ATOM 0 HE1 MET A 36 6.400 -4.407 -2.429 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.808 -3.157 -1.308 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.538 -3.241 -1.715 1.00 0.00 H new ATOM 541 N ARG A 37 10.222 -5.368 4.143 1.00 0.00 N ATOM 542 CA ARG A 37 11.476 -5.898 4.662 1.00 0.00 C ATOM 543 C ARG A 37 11.289 -7.327 5.141 1.00 0.00 C ATOM 544 O ARG A 37 12.054 -8.229 4.792 1.00 0.00 O ATOM 545 CB ARG A 37 11.872 -5.046 5.868 1.00 0.00 C ATOM 546 CG ARG A 37 13.233 -5.478 6.421 1.00 0.00 C ATOM 547 CD ARG A 37 13.609 -4.565 7.596 1.00 0.00 C ATOM 548 NE ARG A 37 14.885 -4.976 8.176 1.00 0.00 N ATOM 549 CZ ARG A 37 16.042 -4.538 7.685 1.00 0.00 C ATOM 550 NH1 ARG A 37 16.053 -3.706 6.679 1.00 0.00 N ATOM 551 NH2 ARG A 37 17.165 -4.938 8.213 1.00 0.00 N ATOM 0 H ARG A 37 9.932 -4.488 4.570 1.00 0.00 H new ATOM 0 HA ARG A 37 12.234 -5.877 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.909 -3.996 5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.114 -5.136 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.193 -6.517 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.992 -5.419 5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.674 -3.532 7.255 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.829 -4.601 8.356 1.00 0.00 H new ATOM 0 HE ARG A 37 14.889 -5.612 8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.174 -3.391 6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.940 -3.371 6.304 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.156 -5.586 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.053 -4.603 7.838 1.00 0.00 H new ATOM 565 N SER A 38 10.269 -7.503 5.950 1.00 0.00 N ATOM 566 CA SER A 38 9.951 -8.806 6.517 1.00 0.00 C ATOM 567 C SER A 38 9.495 -9.790 5.438 1.00 0.00 C ATOM 568 O SER A 38 9.523 -11.002 5.643 1.00 0.00 O ATOM 569 CB SER A 38 8.843 -8.652 7.558 1.00 0.00 C ATOM 570 OG SER A 38 8.838 -9.789 8.410 1.00 0.00 O ATOM 0 H SER A 38 9.636 -6.756 6.236 1.00 0.00 H new ATOM 0 HA SER A 38 10.854 -9.202 6.981 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.001 -7.746 8.143 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.877 -8.549 7.065 1.00 0.00 H new ATOM 0 HG SER A 38 8.129 -9.693 9.080 1.00 0.00 H new ATOM 576 N LEU A 39 9.044 -9.259 4.304 1.00 0.00 N ATOM 577 CA LEU A 39 8.550 -10.104 3.211 1.00 0.00 C ATOM 578 C LEU A 39 9.686 -10.553 2.282 1.00 0.00 C ATOM 579 O LEU A 39 9.464 -10.793 1.096 1.00 0.00 O ATOM 580 CB LEU A 39 7.480 -9.339 2.414 1.00 0.00 C ATOM 581 CG LEU A 39 6.135 -9.349 3.180 1.00 0.00 C ATOM 582 CD1 LEU A 39 5.192 -8.289 2.588 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.459 -10.734 3.074 1.00 0.00 C ATOM 0 H LEU A 39 9.009 -8.257 4.115 1.00 0.00 H new ATOM 0 HA LEU A 39 8.112 -11.002 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.805 -8.312 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.351 -9.795 1.433 1.00 0.00 H new ATOM 0 HG LEU A 39 6.336 -9.127 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.247 -8.300 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.650 -7.304 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.010 -8.511 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.515 -10.721 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.270 -10.967 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.114 -11.492 3.502 1.00 0.00 H new ATOM 595 N GLY A 40 10.894 -10.693 2.827 1.00 0.00 N ATOM 596 CA GLY A 40 12.033 -11.140 2.027 1.00 0.00 C ATOM 597 C GLY A 40 12.359 -10.159 0.904 1.00 0.00 C ATOM 598 O GLY A 40 12.686 -10.570 -0.208 1.00 0.00 O ATOM 0 H GLY A 40 11.108 -10.506 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.905 -11.258 2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.816 -12.120 1.602 1.00 0.00 H new ATOM 602 N GLN A 41 12.273 -8.866 1.204 1.00 0.00 N ATOM 603 CA GLN A 41 12.571 -7.823 0.219 1.00 0.00 C ATOM 604 C GLN A 41 13.579 -6.850 0.817 1.00 0.00 C ATOM 605 O GLN A 41 13.523 -6.554 2.010 1.00 0.00 O ATOM 606 CB GLN A 41 11.286 -7.075 -0.156 1.00 0.00 C ATOM 607 CG GLN A 41 10.268 -8.055 -0.746 1.00 0.00 C ATOM 608 CD GLN A 41 10.804 -8.632 -2.051 1.00 0.00 C ATOM 609 OE1 GLN A 41 11.202 -7.885 -2.944 1.00 0.00 O ATOM 610 NE2 GLN A 41 10.835 -9.927 -2.218 1.00 0.00 N ATOM 0 H GLN A 41 12.000 -8.512 2.121 1.00 0.00 H new ATOM 0 HA GLN A 41 12.987 -8.278 -0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.867 -6.588 0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.509 -6.290 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.070 -8.859 -0.037 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.321 -7.546 -0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.505 -10.545 -1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.190 -10.320 -3.090 1.00 0.00 H new ATOM 619 N ASN A 42 14.508 -6.363 -0.005 1.00 0.00 N ATOM 620 CA ASN A 42 15.537 -5.429 0.472 1.00 0.00 C ATOM 621 C ASN A 42 15.624 -4.196 -0.422 1.00 0.00 C ATOM 622 O ASN A 42 16.662 -3.943 -1.031 1.00 0.00 O ATOM 623 CB ASN A 42 16.901 -6.123 0.489 1.00 0.00 C ATOM 624 CG ASN A 42 16.899 -7.272 1.492 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.676 -8.424 1.117 1.00 0.00 O ATOM 626 ND2 ASN A 42 17.143 -7.028 2.750 1.00 0.00 N ATOM 0 H ASN A 42 14.573 -6.595 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 42 15.260 -5.115 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.137 -6.501 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.678 -5.405 0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.149 -7.792 3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.327 -6.073 3.058 1.00 0.00 H new ATOM 633 N PRO A 43 14.574 -3.421 -0.505 1.00 0.00 N ATOM 634 CA PRO A 43 14.560 -2.188 -1.344 1.00 0.00 C ATOM 635 C PRO A 43 15.327 -1.052 -0.681 1.00 0.00 C ATOM 636 O PRO A 43 15.384 -0.966 0.546 1.00 0.00 O ATOM 637 CB PRO A 43 13.068 -1.846 -1.438 1.00 0.00 C ATOM 638 CG PRO A 43 12.511 -2.337 -0.142 1.00 0.00 C ATOM 639 CD PRO A 43 13.283 -3.623 0.182 1.00 0.00 C ATOM 0 HA PRO A 43 15.036 -2.335 -2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.910 -0.775 -1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.597 -2.338 -2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.639 -1.594 0.646 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.442 -2.533 -0.224 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.414 -3.755 1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.764 -4.508 -0.187 1.00 0.00 H new ATOM 647 N THR A 44 15.867 -0.152 -1.492 1.00 0.00 N ATOM 648 CA THR A 44 16.566 1.000 -0.951 1.00 0.00 C ATOM 649 C THR A 44 15.537 2.071 -0.624 1.00 0.00 C ATOM 650 O THR A 44 14.400 2.028 -1.106 1.00 0.00 O ATOM 651 CB THR A 44 17.592 1.532 -1.952 1.00 0.00 C ATOM 652 OG1 THR A 44 17.015 1.564 -3.248 1.00 0.00 O ATOM 653 CG2 THR A 44 18.823 0.626 -1.957 1.00 0.00 C ATOM 0 H THR A 44 15.835 -0.197 -2.510 1.00 0.00 H new ATOM 0 HA THR A 44 17.107 0.713 -0.049 1.00 0.00 H new ATOM 0 HB THR A 44 17.891 2.540 -1.664 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.672 1.906 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.553 1.007 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.265 0.608 -0.961 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.530 -0.384 -2.242 1.00 0.00 H new ATOM 661 N GLU A 45 15.912 3.014 0.215 1.00 0.00 N ATOM 662 CA GLU A 45 14.979 4.047 0.614 1.00 0.00 C ATOM 663 C GLU A 45 14.483 4.858 -0.582 1.00 0.00 C ATOM 664 O GLU A 45 13.329 5.285 -0.606 1.00 0.00 O ATOM 665 CB GLU A 45 15.628 4.969 1.640 1.00 0.00 C ATOM 666 CG GLU A 45 14.549 5.826 2.304 1.00 0.00 C ATOM 667 CD GLU A 45 13.692 4.959 3.218 1.00 0.00 C ATOM 668 OE1 GLU A 45 14.057 3.814 3.428 1.00 0.00 O ATOM 669 OE2 GLU A 45 12.689 5.455 3.704 1.00 0.00 O ATOM 0 H GLU A 45 16.842 3.087 0.629 1.00 0.00 H new ATOM 0 HA GLU A 45 14.114 3.557 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.155 4.382 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.368 5.606 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.011 6.629 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.925 6.296 1.543 1.00 0.00 H new ATOM 676 N ALA A 46 15.338 5.057 -1.581 1.00 0.00 N ATOM 677 CA ALA A 46 14.930 5.806 -2.765 1.00 0.00 C ATOM 678 C ALA A 46 13.741 5.121 -3.407 1.00 0.00 C ATOM 679 O ALA A 46 12.753 5.758 -3.771 1.00 0.00 O ATOM 680 CB ALA A 46 16.078 5.855 -3.776 1.00 0.00 C ATOM 0 H ALA A 46 16.300 4.717 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 46 14.664 6.821 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.764 6.416 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.941 6.343 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.348 4.841 -4.070 1.00 0.00 H new ATOM 686 N GLU A 47 13.868 3.813 -3.555 1.00 0.00 N ATOM 687 CA GLU A 47 12.833 3.008 -4.168 1.00 0.00 C ATOM 688 C GLU A 47 11.510 3.164 -3.422 1.00 0.00 C ATOM 689 O GLU A 47 10.456 3.307 -4.046 1.00 0.00 O ATOM 690 CB GLU A 47 13.303 1.551 -4.168 1.00 0.00 C ATOM 691 CG GLU A 47 14.519 1.444 -5.095 1.00 0.00 C ATOM 692 CD GLU A 47 15.084 0.030 -5.095 1.00 0.00 C ATOM 693 OE1 GLU A 47 14.531 -0.814 -4.413 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.072 -0.187 -5.781 1.00 0.00 O ATOM 0 H GLU A 47 14.687 3.285 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 47 12.658 3.337 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.565 1.235 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.504 0.893 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.234 1.725 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.288 2.147 -4.774 1.00 0.00 H new ATOM 701 N LEU A 48 11.558 3.144 -2.091 1.00 0.00 N ATOM 702 CA LEU A 48 10.338 3.295 -1.287 1.00 0.00 C ATOM 703 C LEU A 48 9.715 4.677 -1.464 1.00 0.00 C ATOM 704 O LEU A 48 8.502 4.811 -1.643 1.00 0.00 O ATOM 705 CB LEU A 48 10.677 3.125 0.186 1.00 0.00 C ATOM 706 CG LEU A 48 11.417 1.817 0.395 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.793 1.692 1.872 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.528 0.643 -0.037 1.00 0.00 C ATOM 0 H LEU A 48 12.414 3.027 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 48 9.630 2.537 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.291 3.959 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.765 3.137 0.782 1.00 0.00 H new ATOM 0 HG LEU A 48 12.324 1.800 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.326 0.755 2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.433 2.527 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.888 1.705 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.064 -0.294 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.615 0.640 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.273 0.748 -1.092 1.00 0.00 H new ATOM 720 N GLN A 49 10.560 5.698 -1.409 1.00 0.00 N ATOM 721 CA GLN A 49 10.103 7.072 -1.570 1.00 0.00 C ATOM 722 C GLN A 49 9.603 7.269 -2.987 1.00 0.00 C ATOM 723 O GLN A 49 8.671 8.022 -3.253 1.00 0.00 O ATOM 724 CB GLN A 49 11.262 8.030 -1.288 1.00 0.00 C ATOM 725 CG GLN A 49 10.760 9.475 -1.280 1.00 0.00 C ATOM 726 CD GLN A 49 11.916 10.410 -0.940 1.00 0.00 C ATOM 727 OE1 GLN A 49 12.927 9.969 -0.396 1.00 0.00 O ATOM 728 NE2 GLN A 49 11.828 11.679 -1.231 1.00 0.00 N ATOM 0 H GLN A 49 11.564 5.601 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 49 9.293 7.276 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.717 7.790 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.036 7.910 -2.046 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.344 9.733 -2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.958 9.589 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.988 12.042 -1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.599 12.308 -1.007 1.00 0.00 H new ATOM 737 N ASP A 50 10.248 6.578 -3.905 1.00 0.00 N ATOM 738 CA ASP A 50 9.885 6.653 -5.294 1.00 0.00 C ATOM 739 C ASP A 50 8.620 5.842 -5.561 1.00 0.00 C ATOM 740 O ASP A 50 7.750 6.259 -6.324 1.00 0.00 O ATOM 741 CB ASP A 50 11.042 6.128 -6.117 1.00 0.00 C ATOM 742 CG ASP A 50 12.205 7.108 -6.039 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.987 8.220 -5.585 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.298 6.733 -6.429 1.00 0.00 O ATOM 0 H ASP A 50 11.031 5.956 -3.706 1.00 0.00 H new ATOM 0 HA ASP A 50 9.676 7.687 -5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.351 5.150 -5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.734 5.994 -7.154 1.00 0.00 H new ATOM 749 N MET A 51 8.529 4.680 -4.924 1.00 0.00 N ATOM 750 CA MET A 51 7.372 3.803 -5.097 1.00 0.00 C ATOM 751 C MET A 51 6.092 4.525 -4.701 1.00 0.00 C ATOM 752 O MET A 51 5.077 4.456 -5.395 1.00 0.00 O ATOM 753 CB MET A 51 7.538 2.563 -4.209 1.00 0.00 C ATOM 754 CG MET A 51 6.368 1.600 -4.430 1.00 0.00 C ATOM 755 SD MET A 51 6.613 0.112 -3.427 1.00 0.00 S ATOM 756 CE MET A 51 7.487 -0.874 -4.667 1.00 0.00 C ATOM 0 H MET A 51 9.239 4.322 -4.285 1.00 0.00 H new ATOM 0 HA MET A 51 7.308 3.512 -6.145 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.479 2.064 -4.440 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.583 2.859 -3.161 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.429 2.083 -4.160 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.297 1.333 -5.484 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.736 -1.849 -4.247 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.850 -1.007 -5.541 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.403 -0.361 -4.961 1.00 0.00 H new ATOM 766 N ILE A 52 6.157 5.205 -3.571 1.00 0.00 N ATOM 767 CA ILE A 52 5.018 5.936 -3.049 1.00 0.00 C ATOM 768 C ILE A 52 4.731 7.167 -3.915 1.00 0.00 C ATOM 769 O ILE A 52 3.583 7.590 -4.047 1.00 0.00 O ATOM 770 CB ILE A 52 5.317 6.339 -1.576 1.00 0.00 C ATOM 771 CG1 ILE A 52 4.022 6.414 -0.758 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.018 7.705 -1.507 1.00 0.00 C ATOM 773 CD1 ILE A 52 4.363 6.625 0.725 1.00 0.00 C ATOM 0 H ILE A 52 6.995 5.266 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 52 4.128 5.307 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 52 5.972 5.573 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.399 7.232 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.447 5.496 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.215 7.961 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.960 7.659 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.377 8.466 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.442 6.678 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.969 5.792 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.920 7.555 0.842 1.00 0.00 H new ATOM 785 N ASN A 53 5.797 7.749 -4.461 1.00 0.00 N ATOM 786 CA ASN A 53 5.687 8.958 -5.274 1.00 0.00 C ATOM 787 C ASN A 53 4.816 8.755 -6.510 1.00 0.00 C ATOM 788 O ASN A 53 4.071 9.660 -6.898 1.00 0.00 O ATOM 789 CB ASN A 53 7.080 9.415 -5.701 1.00 0.00 C ATOM 790 CG ASN A 53 7.783 10.107 -4.533 1.00 0.00 C ATOM 791 OD1 ASN A 53 7.187 10.285 -3.470 1.00 0.00 O ATOM 792 ND2 ASN A 53 9.011 10.516 -4.670 1.00 0.00 N ATOM 0 H ASN A 53 6.750 7.401 -4.354 1.00 0.00 H new ATOM 0 HA ASN A 53 5.207 9.720 -4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.667 8.559 -6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.004 10.098 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.482 10.985 -3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.503 10.368 -5.551 1.00 0.00 H new ATOM 799 N GLU A 54 4.921 7.596 -7.151 1.00 0.00 N ATOM 800 CA GLU A 54 4.121 7.335 -8.367 1.00 0.00 C ATOM 801 C GLU A 54 2.633 7.291 -8.038 1.00 0.00 C ATOM 802 O GLU A 54 1.777 7.371 -8.923 1.00 0.00 O ATOM 803 CB GLU A 54 4.541 5.993 -8.987 1.00 0.00 C ATOM 804 CG GLU A 54 6.014 5.745 -8.704 1.00 0.00 C ATOM 805 CD GLU A 54 6.853 6.960 -9.126 1.00 0.00 C ATOM 806 OE1 GLU A 54 6.759 7.342 -10.282 1.00 0.00 O ATOM 807 OE2 GLU A 54 7.574 7.490 -8.295 1.00 0.00 O ATOM 0 H GLU A 54 5.534 6.832 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 54 4.301 8.144 -9.075 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.939 5.184 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.363 6.005 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.158 5.547 -7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.350 4.859 -9.242 1.00 0.00 H new ATOM 814 N VAL A 55 2.351 7.146 -6.755 1.00 0.00 N ATOM 815 CA VAL A 55 0.984 7.059 -6.252 1.00 0.00 C ATOM 816 C VAL A 55 0.642 8.321 -5.468 1.00 0.00 C ATOM 817 O VAL A 55 -0.529 8.624 -5.222 1.00 0.00 O ATOM 818 CB VAL A 55 0.905 5.832 -5.325 1.00 0.00 C ATOM 819 CG1 VAL A 55 -0.240 5.988 -4.306 1.00 0.00 C ATOM 820 CG2 VAL A 55 0.682 4.570 -6.161 1.00 0.00 C ATOM 0 H VAL A 55 3.063 7.085 -6.027 1.00 0.00 H new ATOM 0 HA VAL A 55 0.278 6.962 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 55 1.845 5.750 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.276 5.109 -3.662 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.068 6.876 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.187 6.089 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.626 3.703 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.250 4.663 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.511 4.444 -6.858 1.00 0.00 H new ATOM 830 N ASP A 56 1.666 9.023 -5.057 1.00 0.00 N ATOM 831 CA ASP A 56 1.488 10.223 -4.271 1.00 0.00 C ATOM 832 C ASP A 56 0.788 11.312 -5.083 1.00 0.00 C ATOM 833 O ASP A 56 1.231 12.461 -5.117 1.00 0.00 O ATOM 834 CB ASP A 56 2.865 10.678 -3.786 1.00 0.00 C ATOM 835 CG ASP A 56 2.771 11.730 -2.693 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.750 11.800 -2.037 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.752 12.435 -2.513 1.00 0.00 O ATOM 0 H ASP A 56 2.638 8.785 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 56 0.848 10.019 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.419 9.817 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.430 11.080 -4.627 1.00 0.00 H new ATOM 842 N ALA A 57 -0.313 10.928 -5.735 1.00 0.00 N ATOM 843 CA ALA A 57 -1.090 11.857 -6.549 1.00 0.00 C ATOM 844 C ALA A 57 -1.548 13.032 -5.701 1.00 0.00 C ATOM 845 O ALA A 57 -1.852 14.106 -6.220 1.00 0.00 O ATOM 846 CB ALA A 57 -2.323 11.148 -7.117 1.00 0.00 C ATOM 0 H ALA A 57 -0.684 9.978 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.462 12.214 -7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.898 11.848 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.007 10.307 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.943 10.784 -6.298 1.00 0.00 H new ATOM 852 N ASP A 58 -1.617 12.808 -4.389 1.00 0.00 N ATOM 853 CA ASP A 58 -2.057 13.842 -3.459 1.00 0.00 C ATOM 854 C ASP A 58 -0.886 14.696 -2.985 1.00 0.00 C ATOM 855 O ASP A 58 -0.983 15.922 -2.933 1.00 0.00 O ATOM 856 CB ASP A 58 -2.726 13.184 -2.250 1.00 0.00 C ATOM 857 CG ASP A 58 -1.690 12.423 -1.427 1.00 0.00 C ATOM 858 OD1 ASP A 58 -0.753 11.909 -2.015 1.00 0.00 O ATOM 859 OD2 ASP A 58 -1.853 12.364 -0.218 1.00 0.00 O ATOM 0 H ASP A 58 -1.374 11.921 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.764 14.489 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.206 13.943 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.509 12.503 -2.584 1.00 0.00 H new ATOM 864 N GLY A 59 0.220 14.044 -2.632 1.00 0.00 N ATOM 865 CA GLY A 59 1.405 14.767 -2.145 1.00 0.00 C ATOM 866 C GLY A 59 1.412 14.877 -0.621 1.00 0.00 C ATOM 867 O GLY A 59 1.597 15.962 -0.069 1.00 0.00 O ATOM 0 H GLY A 59 0.326 13.030 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.307 14.253 -2.477 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.428 15.765 -2.582 1.00 0.00 H new ATOM 871 N ASN A 60 1.216 13.744 0.061 1.00 0.00 N ATOM 872 CA ASN A 60 1.208 13.720 1.528 1.00 0.00 C ATOM 873 C ASN A 60 2.446 13.006 2.071 1.00 0.00 C ATOM 874 O ASN A 60 2.833 13.216 3.220 1.00 0.00 O ATOM 875 CB ASN A 60 -0.055 13.023 2.033 1.00 0.00 C ATOM 876 CG ASN A 60 -0.054 11.560 1.611 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.954 11.055 1.126 1.00 0.00 O ATOM 878 ND2 ASN A 60 -1.131 10.845 1.775 1.00 0.00 N ATOM 0 H ASN A 60 1.061 12.836 -0.376 1.00 0.00 H new ATOM 0 HA ASN A 60 1.221 14.750 1.885 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.109 13.095 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.938 13.523 1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.138 9.863 1.500 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.967 11.268 2.178 1.00 0.00 H new ATOM 885 N GLY A 61 3.073 12.163 1.249 1.00 0.00 N ATOM 886 CA GLY A 61 4.270 11.441 1.677 1.00 0.00 C ATOM 887 C GLY A 61 3.915 10.163 2.429 1.00 0.00 C ATOM 888 O GLY A 61 4.794 9.371 2.767 1.00 0.00 O ATOM 0 H GLY A 61 2.775 11.965 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.878 11.195 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.875 12.084 2.316 1.00 0.00 H new ATOM 892 N THR A 62 2.623 9.950 2.665 1.00 0.00 N ATOM 893 CA THR A 62 2.160 8.747 3.358 1.00 0.00 C ATOM 894 C THR A 62 1.019 8.130 2.573 1.00 0.00 C ATOM 895 O THR A 62 0.536 8.721 1.606 1.00 0.00 O ATOM 896 CB THR A 62 1.737 9.068 4.792 1.00 0.00 C ATOM 897 OG1 THR A 62 0.594 9.914 4.794 1.00 0.00 O ATOM 898 CG2 THR A 62 2.899 9.762 5.504 1.00 0.00 C ATOM 0 H THR A 62 1.879 10.591 2.389 1.00 0.00 H new ATOM 0 HA THR A 62 2.978 8.030 3.419 1.00 0.00 H new ATOM 0 HB THR A 62 1.481 8.144 5.311 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.334 10.110 5.718 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.610 9.997 6.528 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.766 9.102 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.150 10.683 4.978 1.00 0.00 H new ATOM 906 N ILE A 63 0.628 6.919 2.946 1.00 0.00 N ATOM 907 CA ILE A 63 -0.416 6.215 2.216 1.00 0.00 C ATOM 908 C ILE A 63 -1.741 6.225 2.954 1.00 0.00 C ATOM 909 O ILE A 63 -1.859 5.659 4.036 1.00 0.00 O ATOM 910 CB ILE A 63 0.020 4.761 2.000 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.504 4.734 1.637 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.787 4.136 0.859 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.928 3.302 1.316 1.00 0.00 C ATOM 0 H ILE A 63 1.013 6.409 3.741 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.560 6.729 1.266 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.153 4.194 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.691 5.380 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.098 5.123 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.471 3.103 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.848 4.159 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.618 4.701 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.987 3.285 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.757 2.668 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.343 2.929 0.475 1.00 0.00 H new ATOM 925 N ASP A 64 -2.751 6.809 2.319 1.00 0.00 N ATOM 926 CA ASP A 64 -4.093 6.811 2.872 1.00 0.00 C ATOM 927 C ASP A 64 -4.768 5.572 2.296 1.00 0.00 C ATOM 928 O ASP A 64 -4.111 4.804 1.595 1.00 0.00 O ATOM 929 CB ASP A 64 -4.842 8.077 2.448 1.00 0.00 C ATOM 930 CG ASP A 64 -4.143 9.316 3.010 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.410 9.176 3.977 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.350 10.385 2.460 1.00 0.00 O ATOM 0 H ASP A 64 -2.662 7.286 1.422 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.085 6.798 3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.885 8.136 1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.871 8.037 2.806 1.00 0.00 H new ATOM 937 N PHE A 65 -6.039 5.339 2.554 1.00 0.00 N ATOM 938 CA PHE A 65 -6.662 4.148 1.983 1.00 0.00 C ATOM 939 C PHE A 65 -6.825 4.251 0.456 1.00 0.00 C ATOM 940 O PHE A 65 -6.349 3.368 -0.259 1.00 0.00 O ATOM 941 CB PHE A 65 -8.000 3.845 2.632 1.00 0.00 C ATOM 942 CG PHE A 65 -8.565 2.607 1.976 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.953 1.369 2.192 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.687 2.701 1.149 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.463 0.226 1.586 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.203 1.551 0.539 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.589 0.312 0.758 1.00 0.00 C ATOM 0 H PHE A 65 -6.644 5.926 3.129 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.983 3.322 2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.877 3.687 3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.682 4.686 2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.084 1.300 2.830 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.156 3.659 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.990 -0.730 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.072 1.620 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.984 -0.577 0.289 1.00 0.00 H new ATOM 957 N PRO A 66 -7.478 5.273 -0.075 1.00 0.00 N ATOM 958 CA PRO A 66 -7.676 5.404 -1.560 1.00 0.00 C ATOM 959 C PRO A 66 -6.358 5.239 -2.314 1.00 0.00 C ATOM 960 O PRO A 66 -6.299 4.537 -3.322 1.00 0.00 O ATOM 961 CB PRO A 66 -8.254 6.832 -1.720 1.00 0.00 C ATOM 962 CG PRO A 66 -7.955 7.505 -0.422 1.00 0.00 C ATOM 963 CD PRO A 66 -8.100 6.412 0.623 1.00 0.00 C ATOM 0 HA PRO A 66 -8.332 4.637 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.790 7.357 -2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.326 6.806 -1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.950 7.926 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.646 8.327 -0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.585 6.658 1.552 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.142 6.220 0.878 1.00 0.00 H new ATOM 971 N GLU A 67 -5.297 5.857 -1.801 1.00 0.00 N ATOM 972 CA GLU A 67 -3.991 5.726 -2.429 1.00 0.00 C ATOM 973 C GLU A 67 -3.633 4.258 -2.453 1.00 0.00 C ATOM 974 O GLU A 67 -3.320 3.693 -3.499 1.00 0.00 O ATOM 975 CB GLU A 67 -2.945 6.492 -1.622 1.00 0.00 C ATOM 976 CG GLU A 67 -3.182 7.995 -1.776 1.00 0.00 C ATOM 977 CD GLU A 67 -2.245 8.765 -0.859 1.00 0.00 C ATOM 978 OE1 GLU A 67 -1.444 8.129 -0.206 1.00 0.00 O ATOM 979 OE2 GLU A 67 -2.341 9.979 -0.824 1.00 0.00 O ATOM 0 H GLU A 67 -5.316 6.443 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.017 6.133 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.003 6.210 -0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.944 6.234 -1.967 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.018 8.293 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.218 8.235 -1.536 1.00 0.00 H new ATOM 986 N PHE A 68 -3.715 3.647 -1.277 1.00 0.00 N ATOM 987 CA PHE A 68 -3.432 2.237 -1.127 1.00 0.00 C ATOM 988 C PHE A 68 -4.349 1.425 -2.053 1.00 0.00 C ATOM 989 O PHE A 68 -3.901 0.481 -2.700 1.00 0.00 O ATOM 990 CB PHE A 68 -3.621 1.856 0.338 1.00 0.00 C ATOM 991 CG PHE A 68 -3.613 0.357 0.532 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.403 -0.350 0.587 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.824 -0.316 0.707 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.412 -1.732 0.818 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.835 -1.695 0.928 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.630 -2.403 0.987 1.00 0.00 C ATOM 0 H PHE A 68 -3.978 4.117 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.403 2.016 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.827 2.304 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.564 2.265 0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.466 0.170 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.754 0.231 0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.482 -2.279 0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.773 -2.215 1.053 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.639 -3.469 1.163 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.634 1.805 -2.137 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.572 1.087 -3.013 1.00 0.00 C ATOM 1008 C LEU A 69 -6.110 1.181 -4.472 1.00 0.00 C ATOM 1009 O LEU A 69 -6.100 0.182 -5.191 1.00 0.00 O ATOM 1010 CB LEU A 69 -7.988 1.678 -2.876 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.946 1.072 -3.911 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -8.955 -0.455 -3.813 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -10.367 1.571 -3.640 1.00 0.00 C ATOM 0 H LEU A 69 -6.040 2.586 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.594 0.039 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.368 1.490 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.947 2.760 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.610 1.372 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.641 -0.863 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.951 -0.837 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.280 -0.754 -2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.049 1.142 -4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.674 1.269 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.391 2.658 -3.714 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.712 2.379 -4.885 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.221 2.591 -6.246 1.00 0.00 C ATOM 1027 C ASN A 70 -3.943 1.794 -6.439 1.00 0.00 C ATOM 1028 O ASN A 70 -3.790 1.003 -7.365 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.877 4.072 -6.424 1.00 0.00 C ATOM 1030 CG ASN A 70 -6.131 4.940 -6.406 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.229 4.465 -6.692 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -6.026 6.198 -6.062 1.00 0.00 N ATOM 0 H ASN A 70 -5.719 3.216 -4.302 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.982 2.281 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.202 4.389 -5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.348 4.214 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.857 6.789 -6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.113 6.588 -5.826 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.045 2.029 -5.511 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.746 1.387 -5.458 1.00 0.00 C ATOM 1041 C LEU A 71 -1.893 -0.135 -5.539 1.00 0.00 C ATOM 1042 O LEU A 71 -1.392 -0.773 -6.467 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.203 1.826 -4.103 1.00 0.00 C ATOM 1044 CG LEU A 71 0.185 1.240 -3.763 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.994 2.255 -2.910 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.038 -0.059 -2.950 1.00 0.00 C ATOM 0 H LEU A 71 -3.199 2.690 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.089 1.659 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.142 2.914 -4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.910 1.532 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 71 0.702 1.033 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.972 1.834 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.123 3.181 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.456 2.463 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.026 -0.458 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.494 0.151 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.522 -0.791 -3.532 1.00 0.00 H new ATOM 1058 N MET A 72 -2.620 -0.694 -4.576 1.00 0.00 N ATOM 1059 CA MET A 72 -2.880 -2.134 -4.522 1.00 0.00 C ATOM 1060 C MET A 72 -3.654 -2.594 -5.765 1.00 0.00 C ATOM 1061 O MET A 72 -3.387 -3.664 -6.315 1.00 0.00 O ATOM 1062 CB MET A 72 -3.686 -2.432 -3.261 1.00 0.00 C ATOM 1063 CG MET A 72 -3.793 -3.939 -3.022 1.00 0.00 C ATOM 1064 SD MET A 72 -2.191 -4.592 -2.481 1.00 0.00 S ATOM 1065 CE MET A 72 -2.815 -5.737 -1.225 1.00 0.00 C ATOM 0 H MET A 72 -3.045 -0.167 -3.813 1.00 0.00 H new ATOM 0 HA MET A 72 -1.934 -2.675 -4.499 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.213 -1.957 -2.402 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.684 -2.003 -3.353 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.553 -4.143 -2.267 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.110 -4.440 -3.937 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.978 -6.255 -0.757 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.367 -5.181 -0.467 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.476 -6.466 -1.693 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.606 -1.772 -6.205 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.402 -2.096 -7.386 1.00 0.00 C ATOM 1077 C ALA A 73 -4.514 -2.181 -8.621 1.00 0.00 C ATOM 1078 O ALA A 73 -4.710 -3.029 -9.489 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.474 -1.029 -7.611 1.00 0.00 C ATOM 0 H ALA A 73 -4.843 -0.883 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.879 -3.062 -7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.060 -1.283 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.130 -0.983 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.997 -0.060 -7.758 1.00 0.00 H new ATOM 1085 N ARG A 74 -3.527 -1.301 -8.682 1.00 0.00 N ATOM 1086 CA ARG A 74 -2.589 -1.282 -9.796 1.00 0.00 C ATOM 1087 C ARG A 74 -1.528 -2.356 -9.589 1.00 0.00 C ATOM 1088 O ARG A 74 -1.045 -2.971 -10.540 1.00 0.00 O ATOM 1089 CB ARG A 74 -1.937 0.112 -9.883 1.00 0.00 C ATOM 1090 CG ARG A 74 -2.697 0.995 -10.873 1.00 0.00 C ATOM 1091 CD ARG A 74 -4.108 1.276 -10.352 1.00 0.00 C ATOM 1092 NE ARG A 74 -4.896 1.942 -11.382 1.00 0.00 N ATOM 1093 CZ ARG A 74 -5.562 1.244 -12.298 1.00 0.00 C ATOM 1094 NH1 ARG A 74 -5.522 -0.062 -12.285 1.00 0.00 N ATOM 1095 NH2 ARG A 74 -6.253 1.865 -13.212 1.00 0.00 N ATOM 0 H ARG A 74 -3.354 -0.589 -7.972 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.114 -1.488 -10.729 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.931 0.580 -8.899 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.897 0.015 -10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.162 1.933 -11.020 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.751 0.503 -11.844 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.590 0.343 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.058 1.901 -9.460 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.937 2.961 -11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.979 -0.549 -11.571 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.034 -0.595 -12.988 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.283 2.884 -13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.764 1.332 -13.915 1.00 0.00 H new ATOM 1109 N LYS A 75 -1.173 -2.560 -8.331 1.00 0.00 N ATOM 1110 CA LYS A 75 -0.167 -3.546 -7.970 1.00 0.00 C ATOM 1111 C LYS A 75 -0.791 -4.933 -7.886 1.00 0.00 C ATOM 1112 O LYS A 75 -0.095 -5.935 -7.715 1.00 0.00 O ATOM 1113 CB LYS A 75 0.452 -3.172 -6.615 1.00 0.00 C ATOM 1114 CG LYS A 75 1.795 -3.891 -6.445 1.00 0.00 C ATOM 1115 CD LYS A 75 2.494 -3.413 -5.167 1.00 0.00 C ATOM 1116 CE LYS A 75 1.791 -3.984 -3.929 1.00 0.00 C ATOM 1117 NZ LYS A 75 2.643 -3.760 -2.727 1.00 0.00 N ATOM 0 H LYS A 75 -1.569 -2.053 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 75 0.609 -3.558 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.596 -2.093 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.225 -3.449 -5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.636 -4.968 -6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.431 -3.699 -7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.538 -3.726 -5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.488 -2.324 -5.127 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.821 -3.505 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.605 -5.050 -4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.167 -4.147 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.558 -4.237 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.799 -2.740 -2.597 1.00 0.00 H new ATOM 1131 N MET A 76 -2.111 -4.974 -7.994 1.00 0.00 N ATOM 1132 CA MET A 76 -2.845 -6.228 -7.917 1.00 0.00 C ATOM 1133 C MET A 76 -2.374 -7.218 -8.984 1.00 0.00 C ATOM 1134 O MET A 76 -2.121 -8.387 -8.689 1.00 0.00 O ATOM 1135 CB MET A 76 -4.339 -5.931 -8.109 1.00 0.00 C ATOM 1136 CG MET A 76 -5.133 -7.224 -8.314 1.00 0.00 C ATOM 1137 SD MET A 76 -4.606 -8.485 -7.129 1.00 0.00 S ATOM 1138 CE MET A 76 -5.255 -7.690 -5.642 1.00 0.00 C ATOM 0 H MET A 76 -2.697 -4.151 -8.136 1.00 0.00 H new ATOM 0 HA MET A 76 -2.666 -6.682 -6.943 1.00 0.00 H new ATOM 0 HB2 MET A 76 -4.722 -5.399 -7.239 1.00 0.00 H new ATOM 0 HB3 MET A 76 -4.476 -5.276 -8.969 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.198 -7.027 -8.194 1.00 0.00 H new ATOM 0 HG3 MET A 76 -4.989 -7.589 -9.331 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.246 -8.401 -4.816 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.634 -6.831 -5.388 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.277 -7.358 -5.824 1.00 0.00 H new ATOM 1148 N LYS A 77 -2.261 -6.742 -10.216 1.00 0.00 N ATOM 1149 CA LYS A 77 -1.829 -7.588 -11.323 1.00 0.00 C ATOM 1150 C LYS A 77 -0.502 -8.270 -11.003 1.00 0.00 C ATOM 1151 O LYS A 77 -0.468 -9.429 -10.591 1.00 0.00 O ATOM 1152 CB LYS A 77 -1.654 -6.731 -12.575 1.00 0.00 C ATOM 1153 CG LYS A 77 -2.997 -6.146 -13.011 1.00 0.00 C ATOM 1154 CD LYS A 77 -2.763 -5.255 -14.233 1.00 0.00 C ATOM 1155 CE LYS A 77 -4.069 -4.577 -14.647 1.00 0.00 C ATOM 1156 NZ LYS A 77 -5.078 -5.614 -14.997 1.00 0.00 N ATOM 0 H LYS A 77 -2.462 -5.776 -10.475 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.588 -8.353 -11.487 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.946 -5.926 -12.377 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.234 -7.334 -13.380 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.698 -6.945 -13.253 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.440 -5.568 -12.200 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.010 -4.501 -14.004 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.376 -5.852 -15.059 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.440 -3.953 -13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.896 -3.921 -15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.857 -5.175 -15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.632 -6.349 -15.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.451 -6.043 -14.126 1.00 0.00 H new ATOM 1170 N ASP A 78 0.593 -7.539 -11.200 1.00 0.00 N ATOM 1171 CA ASP A 78 1.927 -8.075 -10.932 1.00 0.00 C ATOM 1172 C ASP A 78 2.166 -9.366 -11.710 1.00 0.00 C ATOM 1173 O ASP A 78 2.068 -10.461 -11.157 1.00 0.00 O ATOM 1174 CB ASP A 78 2.091 -8.337 -9.435 1.00 0.00 C ATOM 1175 CG ASP A 78 2.152 -7.012 -8.683 1.00 0.00 C ATOM 1176 OD1 ASP A 78 2.300 -5.991 -9.334 1.00 0.00 O ATOM 1177 OD2 ASP A 78 2.042 -7.034 -7.468 1.00 0.00 O ATOM 0 H ASP A 78 0.584 -6.578 -11.543 1.00 0.00 H new ATOM 0 HA ASP A 78 2.661 -7.338 -11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.258 -8.936 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.000 -8.911 -9.254 1.00 0.00 H new ATOM 1182 N THR A 79 2.474 -9.225 -12.995 1.00 0.00 N ATOM 1183 CA THR A 79 2.725 -10.382 -13.847 1.00 0.00 C ATOM 1184 C THR A 79 3.783 -11.290 -13.225 1.00 0.00 C ATOM 1185 O THR A 79 4.210 -11.003 -12.119 1.00 0.00 O ATOM 1186 CB THR A 79 3.193 -9.916 -15.226 1.00 0.00 C ATOM 1187 OG1 THR A 79 4.556 -9.525 -15.153 1.00 0.00 O ATOM 1188 CG2 THR A 79 2.342 -8.729 -15.683 1.00 0.00 C ATOM 1189 OXT THR A 79 4.155 -12.259 -13.869 1.00 0.00 O ATOM 0 H THR A 79 2.556 -8.325 -13.468 1.00 0.00 H new ATOM 0 HA THR A 79 1.798 -10.946 -13.947 1.00 0.00 H new ATOM 0 HB THR A 79 3.086 -10.731 -15.941 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.859 -9.227 -16.036 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.677 -8.398 -16.666 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.296 -9.031 -15.739 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.446 -7.911 -14.970 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 1.361 5.786 10.911 1.00 0.00 CA HETATM 1199 CA CA A 192 0.888 9.492 -0.886 1.00 0.00 CA