USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 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 Set 1.1: A 5 THR OG1 : rot -150:sc= -0.695 USER MOD Set 1.2: A 8 GLN : amide:sc= 0 X(o=-0.69,f=-1) USER MOD Single : A 1 ALA N :NH3+ 169:sc= -0.0892 (180deg=-0.337) USER MOD Single : A 3 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.97) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= -0.0296 (180deg=-0.447) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= -0.0026 (180deg=-0.128) USER MOD Single : A 26 CYS SG : rot 57:sc= -0.838 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 67:sc= 0.15 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 122:sc= 1.1 USER MOD Single : A 41 GLN : amide:sc= -0.708 X(o=-0.71,f=-0.41) USER MOD Single : A 42 ASN : amide:sc= -2.93! C(o=-2.9!,f=-3.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 51 MET CE :methyl 179:sc= -0.0195 (180deg=-0.0198) USER MOD Single : A 53 ASN : amide:sc= -4.05! C(o=-4.1!,f=-5.7!) USER MOD Single : A 60 ASN : amide:sc= -0.762 K(o=-0.76,f=-2.8) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.0098) 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 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= -0.0153 (180deg=-0.293) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0186 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.235 -8.467 -12.386 1.00 0.00 N ATOM 2 CA ALA A 1 -18.982 -8.442 -11.581 1.00 0.00 C ATOM 3 C ALA A 1 -17.951 -7.577 -12.291 1.00 0.00 C ATOM 4 O ALA A 1 -16.752 -7.675 -12.023 1.00 0.00 O ATOM 5 CB ALA A 1 -18.448 -9.865 -11.416 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.874 -9.196 -12.011 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.700 -7.538 -12.333 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.007 -8.684 -13.377 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.186 -8.026 -10.594 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.531 -9.844 -10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.193 -10.476 -10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.239 -10.291 -12.397 1.00 0.00 H new ATOM 13 N ASP A 2 -18.426 -6.728 -13.192 1.00 0.00 N ATOM 14 CA ASP A 2 -17.539 -5.844 -13.933 1.00 0.00 C ATOM 15 C ASP A 2 -16.902 -4.828 -12.988 1.00 0.00 C ATOM 16 O ASP A 2 -15.988 -4.100 -13.373 1.00 0.00 O ATOM 17 CB ASP A 2 -18.323 -5.113 -15.029 1.00 0.00 C ATOM 18 CG ASP A 2 -17.362 -4.395 -15.971 1.00 0.00 C ATOM 19 OD1 ASP A 2 -16.174 -4.408 -15.699 1.00 0.00 O ATOM 20 OD2 ASP A 2 -17.827 -3.849 -16.959 1.00 0.00 O ATOM 0 H ASP A 2 -19.414 -6.633 -13.426 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.753 -6.441 -14.395 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -18.930 -5.825 -15.589 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.008 -4.395 -14.579 1.00 0.00 H new ATOM 25 N GLN A 3 -17.397 -4.772 -11.744 1.00 0.00 N ATOM 26 CA GLN A 3 -16.867 -3.826 -10.752 1.00 0.00 C ATOM 27 C GLN A 3 -16.145 -4.569 -9.621 1.00 0.00 C ATOM 28 O GLN A 3 -16.279 -5.782 -9.484 1.00 0.00 O ATOM 29 CB GLN A 3 -18.022 -2.996 -10.171 1.00 0.00 C ATOM 30 CG GLN A 3 -17.504 -1.622 -9.730 1.00 0.00 C ATOM 31 CD GLN A 3 -17.171 -0.774 -10.956 1.00 0.00 C ATOM 32 OE1 GLN A 3 -17.909 -0.788 -11.940 1.00 0.00 O ATOM 33 NE2 GLN A 3 -16.097 -0.030 -10.953 1.00 0.00 N ATOM 0 H GLN A 3 -18.155 -5.363 -11.403 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.150 -3.169 -11.244 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -18.807 -2.876 -10.917 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -18.465 -3.517 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.255 -1.118 -9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -16.617 -1.741 -9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.486 -0.020 -10.136 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.869 0.540 -11.767 1.00 0.00 H new ATOM 42 N LEU A 4 -15.396 -3.825 -8.806 1.00 0.00 N ATOM 43 CA LEU A 4 -14.668 -4.412 -7.684 1.00 0.00 C ATOM 44 C LEU A 4 -15.634 -4.961 -6.631 1.00 0.00 C ATOM 45 O LEU A 4 -16.740 -4.450 -6.465 1.00 0.00 O ATOM 46 CB LEU A 4 -13.757 -3.351 -7.056 1.00 0.00 C ATOM 47 CG LEU A 4 -12.616 -3.007 -8.029 1.00 0.00 C ATOM 48 CD1 LEU A 4 -11.857 -1.780 -7.513 1.00 0.00 C ATOM 49 CD2 LEU A 4 -11.640 -4.198 -8.162 1.00 0.00 C ATOM 0 H LEU A 4 -15.279 -2.816 -8.903 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.065 -5.241 -8.055 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.332 -2.455 -6.824 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.347 -3.720 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.043 -2.792 -9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.048 -1.536 -8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.540 -0.934 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.442 -1.996 -6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.839 -3.937 -8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.214 -4.430 -7.186 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.177 -5.068 -8.540 1.00 0.00 H new ATOM 61 N THR A 5 -15.211 -6.016 -5.926 1.00 0.00 N ATOM 62 CA THR A 5 -16.050 -6.636 -4.893 1.00 0.00 C ATOM 63 C THR A 5 -15.760 -6.053 -3.515 1.00 0.00 C ATOM 64 O THR A 5 -14.790 -5.328 -3.326 1.00 0.00 O ATOM 65 CB THR A 5 -15.811 -8.148 -4.845 1.00 0.00 C ATOM 66 OG1 THR A 5 -14.415 -8.400 -4.898 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.499 -8.826 -6.028 1.00 0.00 C ATOM 0 H THR A 5 -14.299 -6.456 -6.050 1.00 0.00 H new ATOM 0 HA THR A 5 -17.088 -6.430 -5.155 1.00 0.00 H new ATOM 0 HB THR A 5 -16.225 -8.549 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.255 -9.263 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.323 -9.901 -5.984 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.571 -8.632 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 5 -16.095 -8.430 -6.960 1.00 0.00 H new ATOM 75 N ASP A 6 -16.601 -6.418 -2.552 1.00 0.00 N ATOM 76 CA ASP A 6 -16.426 -5.969 -1.181 1.00 0.00 C ATOM 77 C ASP A 6 -15.252 -6.702 -0.551 1.00 0.00 C ATOM 78 O ASP A 6 -14.431 -6.117 0.154 1.00 0.00 O ATOM 79 CB ASP A 6 -17.688 -6.260 -0.372 1.00 0.00 C ATOM 80 CG ASP A 6 -18.052 -7.736 -0.495 1.00 0.00 C ATOM 81 OD1 ASP A 6 -17.605 -8.357 -1.446 1.00 0.00 O ATOM 82 OD2 ASP A 6 -18.772 -8.222 0.360 1.00 0.00 O ATOM 0 H ASP A 6 -17.409 -7.023 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.235 -4.896 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.528 -6.002 0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.511 -5.642 -0.730 1.00 0.00 H new ATOM 87 N GLU A 7 -15.193 -7.999 -0.819 1.00 0.00 N ATOM 88 CA GLU A 7 -14.136 -8.841 -0.281 1.00 0.00 C ATOM 89 C GLU A 7 -12.769 -8.264 -0.618 1.00 0.00 C ATOM 90 O GLU A 7 -11.877 -8.226 0.225 1.00 0.00 O ATOM 91 CB GLU A 7 -14.254 -10.251 -0.860 1.00 0.00 C ATOM 92 CG GLU A 7 -13.832 -10.242 -2.331 1.00 0.00 C ATOM 93 CD GLU A 7 -14.292 -11.520 -3.014 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.232 -12.558 -2.380 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.706 -11.440 -4.159 1.00 0.00 O ATOM 0 H GLU A 7 -15.866 -8.491 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.242 -8.881 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.626 -10.940 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.280 -10.607 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.261 -9.376 -2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.748 -10.150 -2.406 1.00 0.00 H new ATOM 102 N GLN A 8 -12.611 -7.820 -1.857 1.00 0.00 N ATOM 103 CA GLN A 8 -11.349 -7.243 -2.284 1.00 0.00 C ATOM 104 C GLN A 8 -11.139 -5.894 -1.604 1.00 0.00 C ATOM 105 O GLN A 8 -10.012 -5.474 -1.352 1.00 0.00 O ATOM 106 CB GLN A 8 -11.333 -7.072 -3.815 1.00 0.00 C ATOM 107 CG GLN A 8 -11.219 -8.445 -4.488 1.00 0.00 C ATOM 108 CD GLN A 8 -11.145 -8.295 -6.006 1.00 0.00 C ATOM 109 OE1 GLN A 8 -12.064 -7.759 -6.625 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.102 -8.751 -6.647 1.00 0.00 N ATOM 0 H GLN A 8 -13.334 -7.848 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.539 -7.915 -1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.243 -6.570 -4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.495 -6.441 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.331 -8.962 -4.124 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.078 -9.060 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.341 -9.195 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.048 -8.663 -7.662 1.00 0.00 H new ATOM 119 N ILE A 9 -12.242 -5.255 -1.261 1.00 0.00 N ATOM 120 CA ILE A 9 -12.185 -3.964 -0.582 1.00 0.00 C ATOM 121 C ILE A 9 -11.873 -4.155 0.897 1.00 0.00 C ATOM 122 O ILE A 9 -10.895 -3.619 1.409 1.00 0.00 O ATOM 123 CB ILE A 9 -13.504 -3.224 -0.767 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.621 -2.762 -2.224 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.551 -2.009 0.157 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.053 -2.299 -2.503 1.00 0.00 C ATOM 0 H ILE A 9 -13.185 -5.602 -1.438 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.386 -3.366 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.331 -3.891 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.921 -1.948 -2.415 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.354 -3.577 -2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.496 -1.484 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.464 -2.336 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.726 -1.338 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.134 -1.971 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.743 -3.125 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.303 -1.471 -1.840 1.00 0.00 H new ATOM 138 N SER A 10 -12.716 -4.899 1.584 1.00 0.00 N ATOM 139 CA SER A 10 -12.500 -5.124 2.995 1.00 0.00 C ATOM 140 C SER A 10 -11.120 -5.738 3.213 1.00 0.00 C ATOM 141 O SER A 10 -10.400 -5.351 4.132 1.00 0.00 O ATOM 142 CB SER A 10 -13.578 -6.055 3.532 1.00 0.00 C ATOM 143 OG SER A 10 -13.184 -6.547 4.806 1.00 0.00 O ATOM 0 H SER A 10 -13.543 -5.351 1.195 1.00 0.00 H new ATOM 0 HA SER A 10 -12.552 -4.174 3.527 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.526 -5.523 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.735 -6.884 2.842 1.00 0.00 H new ATOM 0 HG SER A 10 -13.877 -7.146 5.154 1.00 0.00 H new ATOM 149 N GLU A 11 -10.741 -6.687 2.353 1.00 0.00 N ATOM 150 CA GLU A 11 -9.435 -7.325 2.474 1.00 0.00 C ATOM 151 C GLU A 11 -8.340 -6.275 2.369 1.00 0.00 C ATOM 152 O GLU A 11 -7.381 -6.286 3.140 1.00 0.00 O ATOM 153 CB GLU A 11 -9.257 -8.372 1.365 1.00 0.00 C ATOM 154 CG GLU A 11 -7.910 -9.092 1.515 1.00 0.00 C ATOM 155 CD GLU A 11 -7.774 -10.168 0.439 1.00 0.00 C ATOM 156 OE1 GLU A 11 -8.775 -10.481 -0.186 1.00 0.00 O ATOM 157 OE2 GLU A 11 -6.675 -10.666 0.260 1.00 0.00 O ATOM 0 H GLU A 11 -11.312 -7.024 1.578 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.369 -7.819 3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.070 -9.097 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.311 -7.889 0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.093 -8.375 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.837 -9.543 2.504 1.00 0.00 H new ATOM 164 N PHE A 12 -8.514 -5.339 1.441 1.00 0.00 N ATOM 165 CA PHE A 12 -7.558 -4.253 1.273 1.00 0.00 C ATOM 166 C PHE A 12 -7.559 -3.358 2.505 1.00 0.00 C ATOM 167 O PHE A 12 -6.509 -3.039 3.069 1.00 0.00 O ATOM 168 CB PHE A 12 -7.966 -3.449 0.026 1.00 0.00 C ATOM 169 CG PHE A 12 -7.658 -4.193 -1.263 1.00 0.00 C ATOM 170 CD1 PHE A 12 -6.685 -5.215 -1.341 1.00 0.00 C ATOM 171 CD2 PHE A 12 -8.379 -3.851 -2.412 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.453 -5.865 -2.545 1.00 0.00 C ATOM 173 CE2 PHE A 12 -8.146 -4.514 -3.612 1.00 0.00 C ATOM 174 CZ PHE A 12 -7.184 -5.520 -3.681 1.00 0.00 C ATOM 0 H PHE A 12 -9.305 -5.311 0.797 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.551 -4.651 1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.033 -3.229 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.443 -2.493 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.121 -5.491 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.121 -3.067 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.704 -6.641 -2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.712 -4.249 -4.493 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.005 -6.032 -4.615 1.00 0.00 H new ATOM 184 N LYS A 13 -8.756 -2.974 2.912 1.00 0.00 N ATOM 185 CA LYS A 13 -8.952 -2.112 4.076 1.00 0.00 C ATOM 186 C LYS A 13 -8.423 -2.768 5.350 1.00 0.00 C ATOM 187 O LYS A 13 -7.679 -2.147 6.107 1.00 0.00 O ATOM 188 CB LYS A 13 -10.449 -1.838 4.205 1.00 0.00 C ATOM 189 CG LYS A 13 -10.696 -0.624 5.102 1.00 0.00 C ATOM 190 CD LYS A 13 -12.192 -0.297 5.092 1.00 0.00 C ATOM 191 CE LYS A 13 -12.459 0.976 5.898 1.00 0.00 C ATOM 192 NZ LYS A 13 -12.002 0.785 7.302 1.00 0.00 N ATOM 0 H LYS A 13 -9.622 -3.248 2.449 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.399 -1.183 3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.879 -1.662 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.950 -2.712 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.362 -0.832 6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.121 0.231 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.536 -0.166 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.756 -1.129 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.937 1.820 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.523 1.213 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.431 1.512 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.289 -0.157 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.966 0.867 7.344 1.00 0.00 H new ATOM 206 N GLU A 14 -8.788 -4.024 5.577 1.00 0.00 N ATOM 207 CA GLU A 14 -8.309 -4.731 6.761 1.00 0.00 C ATOM 208 C GLU A 14 -6.788 -4.823 6.697 1.00 0.00 C ATOM 209 O GLU A 14 -6.095 -4.635 7.697 1.00 0.00 O ATOM 210 CB GLU A 14 -8.912 -6.142 6.811 1.00 0.00 C ATOM 211 CG GLU A 14 -8.473 -6.865 8.091 1.00 0.00 C ATOM 212 CD GLU A 14 -9.089 -8.261 8.129 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.603 -8.685 7.105 1.00 0.00 O ATOM 214 OE2 GLU A 14 -9.036 -8.886 9.175 1.00 0.00 O ATOM 0 H GLU A 14 -9.403 -4.567 4.970 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.611 -4.190 7.658 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.000 -6.081 6.775 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.595 -6.711 5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.386 -6.935 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.784 -6.296 8.967 1.00 0.00 H new ATOM 221 N ALA A 15 -6.283 -5.089 5.493 1.00 0.00 N ATOM 222 CA ALA A 15 -4.844 -5.191 5.266 1.00 0.00 C ATOM 223 C ALA A 15 -4.164 -3.858 5.544 1.00 0.00 C ATOM 224 O ALA A 15 -3.079 -3.801 6.123 1.00 0.00 O ATOM 225 CB ALA A 15 -4.582 -5.591 3.810 1.00 0.00 C ATOM 0 H ALA A 15 -6.851 -5.238 4.659 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.439 -5.945 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.508 -5.667 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.050 -6.554 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.001 -4.837 3.144 1.00 0.00 H new ATOM 231 N PHE A 16 -4.795 -2.781 5.102 1.00 0.00 N ATOM 232 CA PHE A 16 -4.250 -1.448 5.278 1.00 0.00 C ATOM 233 C PHE A 16 -4.237 -0.977 6.743 1.00 0.00 C ATOM 234 O PHE A 16 -3.213 -0.490 7.224 1.00 0.00 O ATOM 235 CB PHE A 16 -5.055 -0.493 4.406 1.00 0.00 C ATOM 236 CG PHE A 16 -4.630 0.925 4.677 1.00 0.00 C ATOM 237 CD1 PHE A 16 -5.164 1.617 5.764 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.699 1.544 3.843 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.768 2.934 6.014 1.00 0.00 C ATOM 240 CE2 PHE A 16 -3.299 2.857 4.088 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.832 3.554 5.173 1.00 0.00 C ATOM 0 H PHE A 16 -5.691 -2.807 4.616 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.203 -1.465 4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.905 -0.733 3.353 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.119 -0.609 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.882 1.136 6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.286 1.004 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.182 3.473 6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.578 3.333 3.440 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.524 4.571 5.365 1.00 0.00 H new ATOM 251 N SER A 17 -5.349 -1.136 7.466 1.00 0.00 N ATOM 252 CA SER A 17 -5.376 -0.719 8.874 1.00 0.00 C ATOM 253 C SER A 17 -4.391 -1.568 9.652 1.00 0.00 C ATOM 254 O SER A 17 -3.738 -1.106 10.588 1.00 0.00 O ATOM 255 CB SER A 17 -6.779 -0.862 9.483 1.00 0.00 C ATOM 256 OG SER A 17 -7.623 0.160 8.967 1.00 0.00 O ATOM 0 H SER A 17 -6.219 -1.538 7.115 1.00 0.00 H new ATOM 0 HA SER A 17 -5.101 0.334 8.929 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.192 -1.843 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.725 -0.791 10.569 1.00 0.00 H new ATOM 0 HG SER A 17 -8.519 0.070 9.353 1.00 0.00 H new ATOM 262 N LEU A 18 -4.279 -2.809 9.218 1.00 0.00 N ATOM 263 CA LEU A 18 -3.367 -3.766 9.808 1.00 0.00 C ATOM 264 C LEU A 18 -1.936 -3.271 9.634 1.00 0.00 C ATOM 265 O LEU A 18 -1.118 -3.363 10.549 1.00 0.00 O ATOM 266 CB LEU A 18 -3.607 -5.097 9.082 1.00 0.00 C ATOM 267 CG LEU A 18 -2.610 -6.188 9.472 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.797 -6.573 10.940 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.886 -7.403 8.577 1.00 0.00 C ATOM 0 H LEU A 18 -4.823 -3.183 8.440 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.531 -3.894 10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.617 -5.444 9.299 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.551 -4.931 8.006 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.587 -5.834 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.081 -7.351 11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.633 -5.698 11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.810 -6.945 11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.191 -8.205 8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.908 -7.746 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.755 -7.122 7.532 1.00 0.00 H new ATOM 281 N PHE A 19 -1.650 -2.719 8.455 1.00 0.00 N ATOM 282 CA PHE A 19 -0.317 -2.194 8.175 1.00 0.00 C ATOM 283 C PHE A 19 -0.082 -0.880 8.916 1.00 0.00 C ATOM 284 O PHE A 19 1.057 -0.435 9.044 1.00 0.00 O ATOM 285 CB PHE A 19 -0.117 -1.958 6.663 1.00 0.00 C ATOM 286 CG PHE A 19 0.021 -3.275 5.901 1.00 0.00 C ATOM 287 CD1 PHE A 19 0.991 -4.225 6.267 1.00 0.00 C ATOM 288 CD2 PHE A 19 -0.817 -3.536 4.807 1.00 0.00 C ATOM 289 CE1 PHE A 19 1.109 -5.421 5.548 1.00 0.00 C ATOM 290 CE2 PHE A 19 -0.695 -4.731 4.092 1.00 0.00 C ATOM 291 CZ PHE A 19 0.264 -5.673 4.464 1.00 0.00 C ATOM 0 H PHE A 19 -2.316 -2.625 7.688 1.00 0.00 H new ATOM 0 HA PHE A 19 0.400 -2.939 8.520 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.962 -1.395 6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.774 -1.350 6.504 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.646 -4.032 7.104 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.561 -2.809 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.854 -6.150 5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.344 -4.925 3.251 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.354 -6.598 3.914 1.00 0.00 H new ATOM 301 N ASP A 20 -1.157 -0.261 9.390 1.00 0.00 N ATOM 302 CA ASP A 20 -1.043 1.014 10.104 1.00 0.00 C ATOM 303 C ASP A 20 -0.719 0.799 11.586 1.00 0.00 C ATOM 304 O ASP A 20 -1.558 1.036 12.454 1.00 0.00 O ATOM 305 CB ASP A 20 -2.356 1.787 9.980 1.00 0.00 C ATOM 306 CG ASP A 20 -2.161 3.221 10.452 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.132 3.497 11.049 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.042 4.024 10.206 1.00 0.00 O ATOM 0 H ASP A 20 -2.110 -0.613 9.297 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.228 1.581 9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.696 1.779 8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.131 1.302 10.574 1.00 0.00 H new ATOM 313 N LYS A 21 0.499 0.339 11.871 1.00 0.00 N ATOM 314 CA LYS A 21 0.907 0.079 13.257 1.00 0.00 C ATOM 315 C LYS A 21 0.450 1.203 14.186 1.00 0.00 C ATOM 316 O LYS A 21 -0.045 0.945 15.283 1.00 0.00 O ATOM 317 CB LYS A 21 2.442 -0.059 13.352 1.00 0.00 C ATOM 318 CG LYS A 21 2.875 -1.482 12.982 1.00 0.00 C ATOM 319 CD LYS A 21 2.573 -1.743 11.507 1.00 0.00 C ATOM 320 CE LYS A 21 3.156 -3.095 11.096 1.00 0.00 C ATOM 321 NZ LYS A 21 2.398 -4.192 11.765 1.00 0.00 N ATOM 0 H LYS A 21 1.215 0.140 11.172 1.00 0.00 H new ATOM 0 HA LYS A 21 0.435 -0.853 13.568 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.920 0.658 12.685 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.773 0.177 14.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.940 -1.610 13.174 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.350 -2.206 13.605 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.496 -1.734 11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.999 -0.950 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.103 -3.211 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.209 -3.147 11.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.680 -5.107 11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.606 -4.187 12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.378 -4.048 11.619 1.00 0.00 H new ATOM 335 N ASP A 22 0.632 2.445 13.753 1.00 0.00 N ATOM 336 CA ASP A 22 0.246 3.591 14.570 1.00 0.00 C ATOM 337 C ASP A 22 -1.269 3.762 14.604 1.00 0.00 C ATOM 338 O ASP A 22 -1.815 4.356 15.535 1.00 0.00 O ATOM 339 CB ASP A 22 0.887 4.859 14.009 1.00 0.00 C ATOM 340 CG ASP A 22 2.398 4.678 13.914 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.936 3.923 14.708 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.998 5.297 13.050 1.00 0.00 O ATOM 0 H ASP A 22 1.041 2.684 12.849 1.00 0.00 H new ATOM 0 HA ASP A 22 0.594 3.414 15.588 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.476 5.080 13.024 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.653 5.709 14.650 1.00 0.00 H new ATOM 347 N GLY A 23 -1.945 3.243 13.584 1.00 0.00 N ATOM 348 CA GLY A 23 -3.399 3.351 13.510 1.00 0.00 C ATOM 349 C GLY A 23 -3.827 4.799 13.284 1.00 0.00 C ATOM 350 O GLY A 23 -4.910 5.208 13.702 1.00 0.00 O ATOM 0 H GLY A 23 -1.515 2.747 12.803 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.773 2.726 12.699 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.843 2.976 14.432 1.00 0.00 H new ATOM 354 N ASP A 24 -2.963 5.574 12.628 1.00 0.00 N ATOM 355 CA ASP A 24 -3.252 6.984 12.357 1.00 0.00 C ATOM 356 C ASP A 24 -3.972 7.153 11.026 1.00 0.00 C ATOM 357 O ASP A 24 -4.214 8.274 10.579 1.00 0.00 O ATOM 358 CB ASP A 24 -1.953 7.794 12.340 1.00 0.00 C ATOM 359 CG ASP A 24 -0.929 7.133 11.422 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.210 6.053 10.929 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.125 7.716 11.229 1.00 0.00 O ATOM 0 H ASP A 24 -2.061 5.252 12.276 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.902 7.350 13.152 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.154 8.810 12.000 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.550 7.870 13.350 1.00 0.00 H new ATOM 366 N GLY A 25 -4.315 6.037 10.398 1.00 0.00 N ATOM 367 CA GLY A 25 -5.010 6.078 9.119 1.00 0.00 C ATOM 368 C GLY A 25 -4.033 6.303 7.970 1.00 0.00 C ATOM 369 O GLY A 25 -4.446 6.571 6.842 1.00 0.00 O ATOM 0 H GLY A 25 -4.125 5.099 10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.549 5.143 8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.753 6.876 9.131 1.00 0.00 H new ATOM 373 N CYS A 26 -2.734 6.190 8.252 1.00 0.00 N ATOM 374 CA CYS A 26 -1.714 6.379 7.217 1.00 0.00 C ATOM 375 C CYS A 26 -0.556 5.399 7.401 1.00 0.00 C ATOM 376 O CYS A 26 -0.073 5.197 8.513 1.00 0.00 O ATOM 377 CB CYS A 26 -1.178 7.818 7.253 1.00 0.00 C ATOM 378 SG CYS A 26 -2.524 8.959 7.655 1.00 0.00 S ATOM 0 H CYS A 26 -2.365 5.971 9.177 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.181 6.190 6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.383 7.902 7.994 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.743 8.079 6.288 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.068 8.609 8.783 1.00 0.00 H new ATOM 384 N ILE A 27 -0.099 4.819 6.292 1.00 0.00 N ATOM 385 CA ILE A 27 1.031 3.889 6.325 1.00 0.00 C ATOM 386 C ILE A 27 2.254 4.644 5.857 1.00 0.00 C ATOM 387 O ILE A 27 2.232 5.248 4.783 1.00 0.00 O ATOM 388 CB ILE A 27 0.798 2.700 5.377 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.515 1.998 5.725 1.00 0.00 C ATOM 390 CG2 ILE A 27 1.946 1.688 5.495 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.850 0.978 4.632 1.00 0.00 C ATOM 0 H ILE A 27 -0.491 4.975 5.363 1.00 0.00 H new ATOM 0 HA ILE A 27 1.153 3.503 7.337 1.00 0.00 H new ATOM 0 HB ILE A 27 0.753 3.083 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.429 1.499 6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.319 2.729 5.815 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.766 0.853 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.886 2.172 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.002 1.319 6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.786 0.476 4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.953 1.490 3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.050 0.241 4.564 1.00 0.00 H new ATOM 403 N THR A 28 3.325 4.623 6.639 1.00 0.00 N ATOM 404 CA THR A 28 4.535 5.319 6.232 1.00 0.00 C ATOM 405 C THR A 28 5.488 4.288 5.631 1.00 0.00 C ATOM 406 O THR A 28 5.326 3.093 5.865 1.00 0.00 O ATOM 407 CB THR A 28 5.162 6.046 7.435 1.00 0.00 C ATOM 408 OG1 THR A 28 5.594 5.098 8.396 1.00 0.00 O ATOM 409 CG2 THR A 28 4.124 6.983 8.074 1.00 0.00 C ATOM 0 H THR A 28 3.381 4.144 7.538 1.00 0.00 H new ATOM 0 HA THR A 28 4.312 6.081 5.485 1.00 0.00 H new ATOM 0 HB THR A 28 6.016 6.630 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.994 5.565 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.572 7.496 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.796 7.718 7.339 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.267 6.400 8.411 1.00 0.00 H new ATOM 417 N THR A 29 6.459 4.736 4.846 1.00 0.00 N ATOM 418 CA THR A 29 7.398 3.807 4.218 1.00 0.00 C ATOM 419 C THR A 29 8.103 2.958 5.276 1.00 0.00 C ATOM 420 O THR A 29 8.540 1.845 4.997 1.00 0.00 O ATOM 421 CB THR A 29 8.431 4.590 3.406 1.00 0.00 C ATOM 422 OG1 THR A 29 9.064 5.543 4.249 1.00 0.00 O ATOM 423 CG2 THR A 29 7.727 5.310 2.251 1.00 0.00 C ATOM 0 H THR A 29 6.619 5.720 4.629 1.00 0.00 H new ATOM 0 HA THR A 29 6.843 3.143 3.555 1.00 0.00 H new ATOM 0 HB THR A 29 9.180 3.907 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.728 6.046 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.460 5.869 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.238 4.577 1.609 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.981 5.997 2.651 1.00 0.00 H new ATOM 431 N LYS A 30 8.196 3.495 6.489 1.00 0.00 N ATOM 432 CA LYS A 30 8.838 2.776 7.590 1.00 0.00 C ATOM 433 C LYS A 30 8.055 1.513 7.922 1.00 0.00 C ATOM 434 O LYS A 30 8.615 0.417 7.991 1.00 0.00 O ATOM 435 CB LYS A 30 8.897 3.676 8.829 1.00 0.00 C ATOM 436 CG LYS A 30 9.648 2.967 9.960 1.00 0.00 C ATOM 437 CD LYS A 30 9.731 3.901 11.171 1.00 0.00 C ATOM 438 CE LYS A 30 10.493 3.215 12.310 1.00 0.00 C ATOM 439 NZ LYS A 30 10.551 4.122 13.495 1.00 0.00 N ATOM 0 H LYS A 30 7.839 4.418 6.736 1.00 0.00 H new ATOM 0 HA LYS A 30 9.848 2.501 7.287 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.395 4.614 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.887 3.927 9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.135 2.045 10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.649 2.690 9.630 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.233 4.827 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.728 4.169 11.503 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.000 2.281 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.502 2.961 11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.069 3.653 14.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.040 5.002 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.585 4.343 13.811 1.00 0.00 H new ATOM 453 N GLU A 31 6.752 1.677 8.080 1.00 0.00 N ATOM 454 CA GLU A 31 5.870 0.560 8.361 1.00 0.00 C ATOM 455 C GLU A 31 5.868 -0.379 7.172 1.00 0.00 C ATOM 456 O GLU A 31 5.998 -1.598 7.313 1.00 0.00 O ATOM 457 CB GLU A 31 4.460 1.102 8.601 1.00 0.00 C ATOM 458 CG GLU A 31 4.406 1.812 9.958 1.00 0.00 C ATOM 459 CD GLU A 31 3.034 2.446 10.163 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.256 2.449 9.223 1.00 0.00 O ATOM 461 OE2 GLU A 31 2.775 2.903 11.263 1.00 0.00 O ATOM 0 H GLU A 31 6.281 2.579 8.018 1.00 0.00 H new ATOM 0 HA GLU A 31 6.209 0.018 9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.186 1.795 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.737 0.287 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.610 1.100 10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.180 2.578 10.008 1.00 0.00 H new ATOM 468 N LEU A 32 5.760 0.214 5.994 1.00 0.00 N ATOM 469 CA LEU A 32 5.783 -0.553 4.771 1.00 0.00 C ATOM 470 C LEU A 32 7.131 -1.245 4.695 1.00 0.00 C ATOM 471 O LEU A 32 7.225 -2.430 4.377 1.00 0.00 O ATOM 472 CB LEU A 32 5.565 0.387 3.568 1.00 0.00 C ATOM 473 CG LEU A 32 5.057 -0.404 2.340 1.00 0.00 C ATOM 474 CD1 LEU A 32 3.526 -0.524 2.407 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.447 0.314 1.030 1.00 0.00 C ATOM 0 H LEU A 32 5.656 1.220 5.865 1.00 0.00 H new ATOM 0 HA LEU A 32 4.987 -1.298 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.844 1.161 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.499 0.892 3.321 1.00 0.00 H new ATOM 0 HG LEU A 32 5.514 -1.394 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.167 -1.081 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.242 -1.048 3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.083 0.472 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.080 -0.259 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.004 1.310 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.532 0.398 0.970 1.00 0.00 H new ATOM 487 N GLY A 33 8.173 -0.504 5.043 1.00 0.00 N ATOM 488 CA GLY A 33 9.507 -1.064 5.051 1.00 0.00 C ATOM 489 C GLY A 33 9.587 -2.217 6.045 1.00 0.00 C ATOM 490 O GLY A 33 10.124 -3.272 5.726 1.00 0.00 O ATOM 0 H GLY A 33 8.117 0.476 5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.768 -1.416 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.231 -0.294 5.317 1.00 0.00 H new ATOM 494 N THR A 34 9.018 -2.030 7.242 1.00 0.00 N ATOM 495 CA THR A 34 9.028 -3.095 8.252 1.00 0.00 C ATOM 496 C THR A 34 8.557 -4.380 7.593 1.00 0.00 C ATOM 497 O THR A 34 9.107 -5.463 7.791 1.00 0.00 O ATOM 498 CB THR A 34 8.057 -2.730 9.391 1.00 0.00 C ATOM 499 OG1 THR A 34 8.270 -1.382 9.783 1.00 0.00 O ATOM 500 CG2 THR A 34 8.276 -3.651 10.595 1.00 0.00 C ATOM 0 H THR A 34 8.554 -1.169 7.531 1.00 0.00 H new ATOM 0 HA THR A 34 10.032 -3.219 8.658 1.00 0.00 H new ATOM 0 HB THR A 34 7.035 -2.853 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.009 -0.784 9.052 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.582 -3.380 11.391 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.102 -4.685 10.298 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.300 -3.544 10.954 1.00 0.00 H new ATOM 508 N VAL A 35 7.507 -4.212 6.824 1.00 0.00 N ATOM 509 CA VAL A 35 6.888 -5.312 6.114 1.00 0.00 C ATOM 510 C VAL A 35 7.740 -5.755 4.922 1.00 0.00 C ATOM 511 O VAL A 35 8.180 -6.904 4.859 1.00 0.00 O ATOM 512 CB VAL A 35 5.500 -4.848 5.665 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.856 -5.872 4.733 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.631 -4.651 6.912 1.00 0.00 C ATOM 0 H VAL A 35 7.056 -3.310 6.671 1.00 0.00 H new ATOM 0 HA VAL A 35 6.801 -6.180 6.767 1.00 0.00 H new ATOM 0 HB VAL A 35 5.591 -3.912 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.871 -5.518 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.482 -6.005 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.755 -6.824 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.636 -4.320 6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.552 -5.594 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.085 -3.899 7.557 1.00 0.00 H new ATOM 524 N MET A 36 7.998 -4.845 3.990 1.00 0.00 N ATOM 525 CA MET A 36 8.796 -5.196 2.818 1.00 0.00 C ATOM 526 C MET A 36 10.121 -5.811 3.263 1.00 0.00 C ATOM 527 O MET A 36 10.553 -6.849 2.755 1.00 0.00 O ATOM 528 CB MET A 36 9.048 -3.925 1.995 1.00 0.00 C ATOM 529 CG MET A 36 7.775 -3.554 1.220 1.00 0.00 C ATOM 530 SD MET A 36 8.018 -1.986 0.347 1.00 0.00 S ATOM 531 CE MET A 36 8.744 -2.675 -1.161 1.00 0.00 C ATOM 0 H MET A 36 7.675 -3.878 4.019 1.00 0.00 H new ATOM 0 HA MET A 36 8.264 -5.925 2.207 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.338 -3.105 2.652 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.874 -4.086 1.302 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.530 -4.342 0.508 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.932 -3.471 1.906 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.977 -1.867 -1.855 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.658 -3.214 -0.911 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.035 -3.360 -1.626 1.00 0.00 H new ATOM 541 N ARG A 37 10.724 -5.176 4.255 1.00 0.00 N ATOM 542 CA ARG A 37 11.986 -5.641 4.844 1.00 0.00 C ATOM 543 C ARG A 37 11.820 -7.043 5.392 1.00 0.00 C ATOM 544 O ARG A 37 12.672 -7.914 5.211 1.00 0.00 O ATOM 545 CB ARG A 37 12.346 -4.716 6.016 1.00 0.00 C ATOM 546 CG ARG A 37 13.690 -5.111 6.643 1.00 0.00 C ATOM 547 CD ARG A 37 13.991 -4.172 7.817 1.00 0.00 C ATOM 548 NE ARG A 37 15.326 -4.430 8.345 1.00 0.00 N ATOM 549 CZ ARG A 37 15.541 -5.383 9.247 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.553 -6.128 9.661 1.00 0.00 N ATOM 551 NH2 ARG A 37 16.743 -5.580 9.714 1.00 0.00 N ATOM 0 H ARG A 37 10.359 -4.324 4.680 1.00 0.00 H new ATOM 0 HA ARG A 37 12.762 -5.634 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.394 -3.684 5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.562 -4.761 6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.655 -6.145 6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.484 -5.050 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.917 -3.135 7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.249 -4.312 8.603 1.00 0.00 H new ATOM 0 HE ARG A 37 16.111 -3.868 8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.613 -5.980 9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.720 -6.858 10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.518 -5.003 9.387 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.908 -6.311 10.406 1.00 0.00 H new ATOM 565 N SER A 38 10.716 -7.221 6.090 1.00 0.00 N ATOM 566 CA SER A 38 10.395 -8.496 6.720 1.00 0.00 C ATOM 567 C SER A 38 9.831 -9.492 5.716 1.00 0.00 C ATOM 568 O SER A 38 9.471 -10.614 6.079 1.00 0.00 O ATOM 569 CB SER A 38 9.378 -8.278 7.836 1.00 0.00 C ATOM 570 OG SER A 38 9.966 -7.483 8.855 1.00 0.00 O ATOM 0 H SER A 38 10.017 -6.493 6.239 1.00 0.00 H new ATOM 0 HA SER A 38 11.319 -8.907 7.127 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.488 -7.786 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.058 -9.236 8.245 1.00 0.00 H new ATOM 0 HG SER A 38 9.432 -6.672 8.986 1.00 0.00 H new ATOM 576 N LEU A 39 9.730 -9.075 4.456 1.00 0.00 N ATOM 577 CA LEU A 39 9.184 -9.938 3.404 1.00 0.00 C ATOM 578 C LEU A 39 10.289 -10.453 2.469 1.00 0.00 C ATOM 579 O LEU A 39 10.066 -10.628 1.273 1.00 0.00 O ATOM 580 CB LEU A 39 8.104 -9.151 2.611 1.00 0.00 C ATOM 581 CG LEU A 39 6.691 -9.714 2.899 1.00 0.00 C ATOM 582 CD1 LEU A 39 6.293 -9.456 4.357 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.652 -9.057 1.976 1.00 0.00 C ATOM 0 H LEU A 39 10.017 -8.150 4.137 1.00 0.00 H new ATOM 0 HA LEU A 39 8.727 -10.813 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.143 -8.096 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.314 -9.212 1.543 1.00 0.00 H new ATOM 0 HG LEU A 39 6.716 -10.788 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.297 -9.859 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.008 -9.942 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.291 -8.383 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.664 -9.464 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.645 -7.980 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.909 -9.260 0.936 1.00 0.00 H new ATOM 595 N GLY A 40 11.467 -10.721 3.016 1.00 0.00 N ATOM 596 CA GLY A 40 12.563 -11.244 2.203 1.00 0.00 C ATOM 597 C GLY A 40 12.931 -10.291 1.074 1.00 0.00 C ATOM 598 O GLY A 40 13.272 -10.719 -0.028 1.00 0.00 O ATOM 0 H GLY A 40 11.689 -10.589 4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.435 -11.414 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.278 -12.210 1.786 1.00 0.00 H new ATOM 602 N GLN A 41 12.869 -8.996 1.360 1.00 0.00 N ATOM 603 CA GLN A 41 13.206 -7.973 0.372 1.00 0.00 C ATOM 604 C GLN A 41 14.034 -6.883 1.046 1.00 0.00 C ATOM 605 O GLN A 41 13.927 -6.677 2.255 1.00 0.00 O ATOM 606 CB GLN A 41 11.926 -7.369 -0.212 1.00 0.00 C ATOM 607 CG GLN A 41 11.171 -8.424 -1.024 1.00 0.00 C ATOM 608 CD GLN A 41 11.985 -8.814 -2.249 1.00 0.00 C ATOM 609 OE1 GLN A 41 12.340 -7.956 -3.056 1.00 0.00 O ATOM 610 NE2 GLN A 41 12.314 -10.063 -2.429 1.00 0.00 N ATOM 0 H GLN A 41 12.588 -8.627 2.269 1.00 0.00 H new ATOM 0 HA GLN A 41 13.782 -8.422 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.292 -6.994 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.173 -6.518 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.981 -9.303 -0.408 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.200 -8.034 -1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.017 -10.771 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.868 -10.332 -3.242 1.00 0.00 H new ATOM 619 N ASN A 42 14.870 -6.187 0.268 1.00 0.00 N ATOM 620 CA ASN A 42 15.720 -5.123 0.820 1.00 0.00 C ATOM 621 C ASN A 42 15.730 -3.894 -0.087 1.00 0.00 C ATOM 622 O ASN A 42 16.685 -3.682 -0.837 1.00 0.00 O ATOM 623 CB ASN A 42 17.158 -5.631 0.975 1.00 0.00 C ATOM 624 CG ASN A 42 17.154 -7.014 1.615 1.00 0.00 C ATOM 625 OD1 ASN A 42 16.259 -7.334 2.398 1.00 0.00 O ATOM 626 ND2 ASN A 42 18.108 -7.860 1.331 1.00 0.00 N ATOM 0 H ASN A 42 14.977 -6.338 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 42 15.311 -4.843 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.645 -5.673 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.733 -4.938 1.589 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.112 -8.786 1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.849 -7.594 0.682 1.00 0.00 H new ATOM 633 N PRO A 43 14.705 -3.079 -0.041 1.00 0.00 N ATOM 634 CA PRO A 43 14.629 -1.850 -0.879 1.00 0.00 C ATOM 635 C PRO A 43 15.448 -0.714 -0.287 1.00 0.00 C ATOM 636 O PRO A 43 15.575 -0.602 0.934 1.00 0.00 O ATOM 637 CB PRO A 43 13.142 -1.510 -0.861 1.00 0.00 C ATOM 638 CG PRO A 43 12.678 -1.972 0.481 1.00 0.00 C ATOM 639 CD PRO A 43 13.504 -3.221 0.811 1.00 0.00 C ATOM 0 HA PRO A 43 15.030 -2.001 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.976 -0.441 -0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.607 -2.018 -1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.827 -1.197 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.613 -2.202 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.765 -3.261 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.957 -4.136 0.583 1.00 0.00 H new ATOM 647 N THR A 44 15.951 0.166 -1.145 1.00 0.00 N ATOM 648 CA THR A 44 16.697 1.315 -0.668 1.00 0.00 C ATOM 649 C THR A 44 15.707 2.422 -0.354 1.00 0.00 C ATOM 650 O THR A 44 14.555 2.364 -0.776 1.00 0.00 O ATOM 651 CB THR A 44 17.711 1.782 -1.717 1.00 0.00 C ATOM 652 OG1 THR A 44 18.362 0.651 -2.278 1.00 0.00 O ATOM 653 CG2 THR A 44 18.753 2.691 -1.057 1.00 0.00 C ATOM 0 H THR A 44 15.856 0.105 -2.159 1.00 0.00 H new ATOM 0 HA THR A 44 17.257 1.046 0.228 1.00 0.00 H new ATOM 0 HB THR A 44 17.193 2.334 -2.501 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.010 0.947 -2.951 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.473 3.022 -1.805 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.256 3.559 -0.623 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.272 2.140 -0.273 1.00 0.00 H new ATOM 661 N GLU A 45 16.140 3.409 0.397 1.00 0.00 N ATOM 662 CA GLU A 45 15.252 4.495 0.780 1.00 0.00 C ATOM 663 C GLU A 45 14.796 5.310 -0.430 1.00 0.00 C ATOM 664 O GLU A 45 13.660 5.785 -0.466 1.00 0.00 O ATOM 665 CB GLU A 45 15.949 5.398 1.787 1.00 0.00 C ATOM 666 CG GLU A 45 14.955 6.428 2.314 1.00 0.00 C ATOM 667 CD GLU A 45 15.630 7.300 3.362 1.00 0.00 C ATOM 668 OE1 GLU A 45 16.704 6.928 3.807 1.00 0.00 O ATOM 669 OE2 GLU A 45 15.063 8.320 3.710 1.00 0.00 O ATOM 0 H GLU A 45 17.092 3.487 0.755 1.00 0.00 H new ATOM 0 HA GLU A 45 14.363 4.057 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.346 4.805 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.796 5.900 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.587 7.046 1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.090 5.925 2.747 1.00 0.00 H new ATOM 676 N ALA A 46 15.661 5.460 -1.429 1.00 0.00 N ATOM 677 CA ALA A 46 15.286 6.214 -2.624 1.00 0.00 C ATOM 678 C ALA A 46 14.114 5.537 -3.303 1.00 0.00 C ATOM 679 O ALA A 46 13.189 6.190 -3.789 1.00 0.00 O ATOM 680 CB ALA A 46 16.460 6.261 -3.603 1.00 0.00 C ATOM 0 H ALA A 46 16.607 5.079 -1.438 1.00 0.00 H new ATOM 0 HA ALA A 46 15.014 7.228 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.172 6.825 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.312 6.746 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.734 5.246 -3.891 1.00 0.00 H new ATOM 686 N GLU A 47 14.184 4.221 -3.345 1.00 0.00 N ATOM 687 CA GLU A 47 13.159 3.416 -3.974 1.00 0.00 C ATOM 688 C GLU A 47 11.811 3.590 -3.275 1.00 0.00 C ATOM 689 O GLU A 47 10.804 3.850 -3.928 1.00 0.00 O ATOM 690 CB GLU A 47 13.622 1.954 -3.934 1.00 0.00 C ATOM 691 CG GLU A 47 14.564 1.701 -5.118 1.00 0.00 C ATOM 692 CD GLU A 47 15.719 2.705 -5.103 1.00 0.00 C ATOM 693 OE1 GLU A 47 15.480 3.864 -5.409 1.00 0.00 O ATOM 694 OE2 GLU A 47 16.829 2.297 -4.806 1.00 0.00 O ATOM 0 H GLU A 47 14.952 3.682 -2.945 1.00 0.00 H new ATOM 0 HA GLU A 47 13.015 3.734 -5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.133 1.746 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.763 1.285 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.956 0.685 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.013 1.785 -6.054 1.00 0.00 H new ATOM 701 N LEU A 48 11.802 3.462 -1.953 1.00 0.00 N ATOM 702 CA LEU A 48 10.565 3.614 -1.179 1.00 0.00 C ATOM 703 C LEU A 48 9.986 5.014 -1.320 1.00 0.00 C ATOM 704 O LEU A 48 8.781 5.189 -1.455 1.00 0.00 O ATOM 705 CB LEU A 48 10.854 3.380 0.296 1.00 0.00 C ATOM 706 CG LEU A 48 11.550 2.042 0.481 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.942 1.890 1.954 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.612 0.899 0.050 1.00 0.00 C ATOM 0 H LEU A 48 12.629 3.255 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 48 9.849 2.887 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.481 4.183 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.924 3.398 0.865 1.00 0.00 H new ATOM 0 HG LEU A 48 12.446 1.999 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.443 0.933 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.616 2.699 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.047 1.930 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.118 -0.057 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.708 0.921 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.346 1.023 -1.000 1.00 0.00 H new ATOM 720 N GLN A 49 10.866 6.003 -1.292 1.00 0.00 N ATOM 721 CA GLN A 49 10.453 7.395 -1.418 1.00 0.00 C ATOM 722 C GLN A 49 9.866 7.625 -2.801 1.00 0.00 C ATOM 723 O GLN A 49 8.916 8.388 -2.983 1.00 0.00 O ATOM 724 CB GLN A 49 11.659 8.306 -1.215 1.00 0.00 C ATOM 725 CG GLN A 49 11.216 9.767 -1.189 1.00 0.00 C ATOM 726 CD GLN A 49 12.443 10.664 -1.072 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.446 10.433 -1.747 1.00 0.00 O ATOM 728 NE2 GLN A 49 12.430 11.675 -0.247 1.00 0.00 N ATOM 0 H GLN A 49 11.871 5.869 -1.183 1.00 0.00 H new ATOM 0 HA GLN A 49 9.700 7.621 -0.663 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.162 8.054 -0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.380 8.151 -2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.661 10.007 -2.096 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.543 9.940 -0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.599 11.866 0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.251 12.274 -0.161 1.00 0.00 H new ATOM 737 N ASP A 50 10.457 6.955 -3.776 1.00 0.00 N ATOM 738 CA ASP A 50 10.018 7.060 -5.146 1.00 0.00 C ATOM 739 C ASP A 50 8.795 6.178 -5.377 1.00 0.00 C ATOM 740 O ASP A 50 7.892 6.529 -6.139 1.00 0.00 O ATOM 741 CB ASP A 50 11.170 6.630 -6.048 1.00 0.00 C ATOM 742 CG ASP A 50 12.268 7.691 -6.013 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.990 8.786 -5.555 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.370 7.391 -6.442 1.00 0.00 O ATOM 0 H ASP A 50 11.249 6.328 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 50 9.734 8.087 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.566 5.670 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.815 6.493 -7.069 1.00 0.00 H new ATOM 749 N MET A 51 8.770 5.032 -4.703 1.00 0.00 N ATOM 750 CA MET A 51 7.654 4.111 -4.832 1.00 0.00 C ATOM 751 C MET A 51 6.417 4.693 -4.167 1.00 0.00 C ATOM 752 O MET A 51 5.344 4.759 -4.768 1.00 0.00 O ATOM 753 CB MET A 51 8.012 2.777 -4.157 1.00 0.00 C ATOM 754 CG MET A 51 7.035 1.683 -4.595 1.00 0.00 C ATOM 755 SD MET A 51 5.420 1.959 -3.819 1.00 0.00 S ATOM 756 CE MET A 51 5.733 1.059 -2.281 1.00 0.00 C ATOM 0 H MET A 51 9.506 4.724 -4.067 1.00 0.00 H new ATOM 0 HA MET A 51 7.449 3.948 -5.890 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.031 2.491 -4.419 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.981 2.890 -3.073 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.933 1.686 -5.680 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.421 0.703 -4.314 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.855 1.120 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.945 0.014 -2.508 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.588 1.500 -1.769 1.00 0.00 H new ATOM 766 N ILE A 52 6.601 5.112 -2.918 1.00 0.00 N ATOM 767 CA ILE A 52 5.528 5.688 -2.124 1.00 0.00 C ATOM 768 C ILE A 52 4.957 6.928 -2.806 1.00 0.00 C ATOM 769 O ILE A 52 3.745 7.083 -2.900 1.00 0.00 O ATOM 770 CB ILE A 52 6.089 6.041 -0.727 1.00 0.00 C ATOM 771 CG1 ILE A 52 4.944 6.189 0.271 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.886 7.343 -0.759 1.00 0.00 C ATOM 773 CD1 ILE A 52 4.373 4.812 0.619 1.00 0.00 C ATOM 0 H ILE A 52 7.496 5.061 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 52 4.716 4.968 -2.024 1.00 0.00 H new ATOM 0 HB ILE A 52 6.753 5.231 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.300 6.683 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.162 6.820 -0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.266 7.562 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.722 7.241 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.240 8.157 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.556 4.926 1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.000 4.333 -0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.156 4.194 1.060 1.00 0.00 H new ATOM 785 N ASN A 53 5.848 7.800 -3.266 1.00 0.00 N ATOM 786 CA ASN A 53 5.455 9.041 -3.930 1.00 0.00 C ATOM 787 C ASN A 53 4.822 8.818 -5.316 1.00 0.00 C ATOM 788 O ASN A 53 3.977 9.603 -5.742 1.00 0.00 O ATOM 789 CB ASN A 53 6.677 9.950 -4.058 1.00 0.00 C ATOM 790 CG ASN A 53 7.110 10.436 -2.675 1.00 0.00 C ATOM 791 OD1 ASN A 53 6.294 10.506 -1.757 1.00 0.00 O ATOM 792 ND2 ASN A 53 8.355 10.773 -2.471 1.00 0.00 N ATOM 0 H ASN A 53 6.857 7.669 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 53 4.688 9.507 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.494 9.410 -4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.442 10.802 -4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.652 11.095 -1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.031 10.714 -3.233 1.00 0.00 H new ATOM 799 N GLU A 54 5.241 7.777 -6.031 1.00 0.00 N ATOM 800 CA GLU A 54 4.712 7.515 -7.365 1.00 0.00 C ATOM 801 C GLU A 54 3.227 7.190 -7.295 1.00 0.00 C ATOM 802 O GLU A 54 2.443 7.550 -8.178 1.00 0.00 O ATOM 803 CB GLU A 54 5.497 6.332 -7.966 1.00 0.00 C ATOM 804 CG GLU A 54 4.701 5.636 -9.070 1.00 0.00 C ATOM 805 CD GLU A 54 4.201 6.659 -10.084 1.00 0.00 C ATOM 806 OE1 GLU A 54 4.892 7.644 -10.289 1.00 0.00 O ATOM 807 OE2 GLU A 54 3.140 6.441 -10.644 1.00 0.00 O ATOM 0 H GLU A 54 5.940 7.106 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 54 4.827 8.398 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.444 6.690 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.735 5.615 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.327 4.896 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.857 5.100 -8.637 1.00 0.00 H new ATOM 814 N VAL A 55 2.875 6.486 -6.238 1.00 0.00 N ATOM 815 CA VAL A 55 1.511 6.059 -6.003 1.00 0.00 C ATOM 816 C VAL A 55 0.818 6.988 -5.042 1.00 0.00 C ATOM 817 O VAL A 55 -0.171 6.617 -4.415 1.00 0.00 O ATOM 818 CB VAL A 55 1.532 4.654 -5.402 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.218 4.700 -4.023 1.00 0.00 C ATOM 820 CG2 VAL A 55 0.090 4.127 -5.254 1.00 0.00 C ATOM 0 H VAL A 55 3.531 6.193 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 55 0.972 6.067 -6.950 1.00 0.00 H new ATOM 0 HB VAL A 55 2.086 3.985 -6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.235 3.699 -3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.239 5.063 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.666 5.370 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.111 3.125 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.474 4.790 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.387 4.092 -6.233 1.00 0.00 H new ATOM 830 N ASP A 56 1.375 8.169 -4.882 1.00 0.00 N ATOM 831 CA ASP A 56 0.835 9.133 -3.943 1.00 0.00 C ATOM 832 C ASP A 56 -0.019 10.157 -4.684 1.00 0.00 C ATOM 833 O ASP A 56 0.354 11.321 -4.807 1.00 0.00 O ATOM 834 CB ASP A 56 2.016 9.786 -3.213 1.00 0.00 C ATOM 835 CG ASP A 56 1.568 10.736 -2.114 1.00 0.00 C ATOM 836 OD1 ASP A 56 0.374 10.880 -1.915 1.00 0.00 O ATOM 837 OD2 ASP A 56 2.438 11.308 -1.485 1.00 0.00 O ATOM 0 H ASP A 56 2.201 8.486 -5.389 1.00 0.00 H new ATOM 0 HA ASP A 56 0.187 8.652 -3.211 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.647 9.009 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.627 10.331 -3.933 1.00 0.00 H new ATOM 842 N ALA A 57 -1.178 9.704 -5.183 1.00 0.00 N ATOM 843 CA ALA A 57 -2.100 10.582 -5.910 1.00 0.00 C ATOM 844 C ALA A 57 -2.131 11.970 -5.279 1.00 0.00 C ATOM 845 O ALA A 57 -2.454 12.960 -5.938 1.00 0.00 O ATOM 846 CB ALA A 57 -3.516 10.001 -5.860 1.00 0.00 C ATOM 0 H ALA A 57 -1.496 8.739 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.754 10.657 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.198 10.657 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.520 9.013 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.839 9.919 -4.822 1.00 0.00 H new ATOM 852 N ASP A 58 -1.803 12.020 -3.988 1.00 0.00 N ATOM 853 CA ASP A 58 -1.801 13.275 -3.235 1.00 0.00 C ATOM 854 C ASP A 58 -0.414 13.911 -3.206 1.00 0.00 C ATOM 855 O ASP A 58 -0.279 15.125 -3.337 1.00 0.00 O ATOM 856 CB ASP A 58 -2.266 13.004 -1.804 1.00 0.00 C ATOM 857 CG ASP A 58 -3.564 12.206 -1.821 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.268 12.280 -2.815 1.00 0.00 O ATOM 859 OD2 ASP A 58 -3.838 11.532 -0.839 1.00 0.00 O ATOM 0 H ASP A 58 -1.534 11.203 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.479 13.970 -3.730 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.498 12.453 -1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.415 13.946 -1.277 1.00 0.00 H new ATOM 864 N GLY A 59 0.613 13.088 -3.034 1.00 0.00 N ATOM 865 CA GLY A 59 1.988 13.591 -2.990 1.00 0.00 C ATOM 866 C GLY A 59 2.427 13.900 -1.560 1.00 0.00 C ATOM 867 O GLY A 59 3.502 14.459 -1.343 1.00 0.00 O ATOM 0 H GLY A 59 0.526 12.078 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.661 12.852 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.066 14.492 -3.598 1.00 0.00 H new ATOM 871 N ASN A 60 1.592 13.529 -0.594 1.00 0.00 N ATOM 872 CA ASN A 60 1.901 13.767 0.814 1.00 0.00 C ATOM 873 C ASN A 60 3.095 12.928 1.266 1.00 0.00 C ATOM 874 O ASN A 60 3.824 13.317 2.177 1.00 0.00 O ATOM 875 CB ASN A 60 0.686 13.430 1.677 1.00 0.00 C ATOM 876 CG ASN A 60 -0.548 14.147 1.138 1.00 0.00 C ATOM 877 OD1 ASN A 60 -1.596 13.528 0.958 1.00 0.00 O ATOM 878 ND2 ASN A 60 -0.484 15.421 0.865 1.00 0.00 N ATOM 0 H ASN A 60 0.699 13.064 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 60 2.155 14.821 0.930 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.519 12.353 1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.868 13.728 2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.304 15.906 0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.386 15.932 1.015 1.00 0.00 H new ATOM 885 N GLY A 61 3.305 11.774 0.632 1.00 0.00 N ATOM 886 CA GLY A 61 4.426 10.903 0.989 1.00 0.00 C ATOM 887 C GLY A 61 3.983 9.754 1.882 1.00 0.00 C ATOM 888 O GLY A 61 4.810 8.989 2.379 1.00 0.00 O ATOM 0 H GLY A 61 2.719 11.422 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.881 10.505 0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.192 11.486 1.500 1.00 0.00 H new ATOM 892 N THR A 62 2.675 9.606 2.061 1.00 0.00 N ATOM 893 CA THR A 62 2.134 8.517 2.870 1.00 0.00 C ATOM 894 C THR A 62 0.922 7.935 2.173 1.00 0.00 C ATOM 895 O THR A 62 0.425 8.504 1.202 1.00 0.00 O ATOM 896 CB THR A 62 1.799 8.998 4.283 1.00 0.00 C ATOM 897 OG1 THR A 62 0.861 10.064 4.231 1.00 0.00 O ATOM 898 CG2 THR A 62 3.092 9.465 4.950 1.00 0.00 C ATOM 0 H THR A 62 1.970 10.224 1.659 1.00 0.00 H new ATOM 0 HA THR A 62 2.885 7.734 2.975 1.00 0.00 H new ATOM 0 HB THR A 62 1.355 8.185 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.653 10.362 5.141 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.875 9.813 5.960 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.798 8.636 4.995 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.526 10.280 4.371 1.00 0.00 H new ATOM 906 N ILE A 63 0.479 6.769 2.622 1.00 0.00 N ATOM 907 CA ILE A 63 -0.641 6.095 1.973 1.00 0.00 C ATOM 908 C ILE A 63 -1.926 6.222 2.770 1.00 0.00 C ATOM 909 O ILE A 63 -1.991 5.817 3.934 1.00 0.00 O ATOM 910 CB ILE A 63 -0.307 4.611 1.826 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.165 4.468 1.434 1.00 0.00 C ATOM 912 CG2 ILE A 63 -1.184 3.976 0.744 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.479 2.999 1.143 1.00 0.00 C ATOM 0 H ILE A 63 0.871 6.274 3.423 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.795 6.567 1.003 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.493 4.105 2.773 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.378 5.077 0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.803 4.834 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.936 2.919 0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.234 4.079 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.007 4.477 -0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.528 2.900 0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.282 2.402 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.851 2.648 0.324 1.00 0.00 H new ATOM 925 N ASP A 64 -2.963 6.725 2.113 1.00 0.00 N ATOM 926 CA ASP A 64 -4.276 6.833 2.725 1.00 0.00 C ATOM 927 C ASP A 64 -5.046 5.610 2.237 1.00 0.00 C ATOM 928 O ASP A 64 -4.656 5.035 1.225 1.00 0.00 O ATOM 929 CB ASP A 64 -4.977 8.115 2.264 1.00 0.00 C ATOM 930 CG ASP A 64 -4.097 9.333 2.526 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.426 9.348 3.544 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.111 10.239 1.705 1.00 0.00 O ATOM 0 H ASP A 64 -2.917 7.065 1.153 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.215 6.874 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.207 8.048 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.926 8.226 2.789 1.00 0.00 H new ATOM 937 N PHE A 65 -6.091 5.168 2.917 1.00 0.00 N ATOM 938 CA PHE A 65 -6.776 3.983 2.423 1.00 0.00 C ATOM 939 C PHE A 65 -7.110 4.110 0.911 1.00 0.00 C ATOM 940 O PHE A 65 -6.858 3.184 0.143 1.00 0.00 O ATOM 941 CB PHE A 65 -8.029 3.665 3.235 1.00 0.00 C ATOM 942 CG PHE A 65 -8.739 2.570 2.494 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.167 1.298 2.433 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.922 2.846 1.811 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.788 0.291 1.695 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.544 1.841 1.067 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.976 0.560 1.007 1.00 0.00 C ATOM 0 H PHE A 65 -6.469 5.584 3.768 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.089 3.146 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.769 3.347 4.245 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.664 4.545 3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.245 1.094 2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.356 3.834 1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.352 -0.696 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.462 2.050 0.538 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.455 -0.218 0.431 1.00 0.00 H new ATOM 957 N PRO A 66 -7.680 5.195 0.449 1.00 0.00 N ATOM 958 CA PRO A 66 -8.007 5.342 -1.010 1.00 0.00 C ATOM 959 C PRO A 66 -6.769 5.186 -1.903 1.00 0.00 C ATOM 960 O PRO A 66 -6.792 4.485 -2.920 1.00 0.00 O ATOM 961 CB PRO A 66 -8.592 6.758 -1.107 1.00 0.00 C ATOM 962 CG PRO A 66 -9.098 7.038 0.262 1.00 0.00 C ATOM 963 CD PRO A 66 -8.094 6.390 1.202 1.00 0.00 C ATOM 0 HA PRO A 66 -8.694 4.570 -1.358 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.835 7.482 -1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.392 6.809 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.170 8.110 0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.096 6.623 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.252 7.049 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.544 6.130 2.160 1.00 0.00 H new ATOM 971 N GLU A 67 -5.676 5.822 -1.498 1.00 0.00 N ATOM 972 CA GLU A 67 -4.440 5.727 -2.253 1.00 0.00 C ATOM 973 C GLU A 67 -4.012 4.276 -2.283 1.00 0.00 C ATOM 974 O GLU A 67 -3.440 3.776 -3.259 1.00 0.00 O ATOM 975 CB GLU A 67 -3.346 6.564 -1.576 1.00 0.00 C ATOM 976 CG GLU A 67 -3.709 8.046 -1.664 1.00 0.00 C ATOM 977 CD GLU A 67 -2.643 8.883 -0.970 1.00 0.00 C ATOM 978 OE1 GLU A 67 -2.218 8.491 0.105 1.00 0.00 O ATOM 979 OE2 GLU A 67 -2.266 9.905 -1.525 1.00 0.00 O ATOM 0 H GLU A 67 -5.623 6.402 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.595 6.101 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.239 6.266 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.385 6.385 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.797 8.346 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.680 8.220 -1.200 1.00 0.00 H new ATOM 986 N PHE A 68 -4.302 3.613 -1.182 1.00 0.00 N ATOM 987 CA PHE A 68 -3.961 2.217 -1.036 1.00 0.00 C ATOM 988 C PHE A 68 -4.805 1.361 -1.983 1.00 0.00 C ATOM 989 O PHE A 68 -4.363 0.296 -2.409 1.00 0.00 O ATOM 990 CB PHE A 68 -4.134 1.805 0.431 1.00 0.00 C ATOM 991 CG PHE A 68 -3.839 0.340 0.639 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.517 -0.107 0.789 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.898 -0.561 0.754 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.267 -1.458 1.057 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.643 -1.906 1.006 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.336 -2.355 1.163 1.00 0.00 C ATOM 0 H PHE A 68 -4.774 4.021 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.918 2.057 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.471 2.402 1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.154 2.020 0.751 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.696 0.589 0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.915 -0.215 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.253 -1.807 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.464 -2.604 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.146 -3.398 1.367 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.999 1.842 -2.361 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.837 1.108 -3.309 1.00 0.00 C ATOM 1008 C LEU A 69 -6.281 1.243 -4.735 1.00 0.00 C ATOM 1009 O LEU A 69 -6.378 0.321 -5.540 1.00 0.00 O ATOM 1010 CB LEU A 69 -8.285 1.638 -3.266 1.00 0.00 C ATOM 1011 CG LEU A 69 -9.053 1.036 -2.072 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.469 1.637 -2.008 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -9.165 -0.490 -2.237 1.00 0.00 C ATOM 0 H LEU A 69 -6.397 2.721 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.833 0.056 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.277 2.725 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.796 1.389 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.513 1.266 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.008 1.209 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.400 2.718 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.002 1.410 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.709 -0.909 -1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.699 -0.718 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.167 -0.926 -2.279 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.680 2.393 -5.019 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.081 2.651 -6.332 1.00 0.00 C ATOM 1027 C ASN A 70 -3.929 1.678 -6.538 1.00 0.00 C ATOM 1028 O ASN A 70 -3.736 1.088 -7.605 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.546 4.084 -6.328 1.00 0.00 C ATOM 1030 CG ASN A 70 -4.113 4.535 -7.715 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -2.974 4.301 -8.123 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -4.956 5.199 -8.453 1.00 0.00 N ATOM 0 H ASN A 70 -5.592 3.166 -4.359 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.812 2.524 -7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.316 4.757 -5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.700 4.153 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.675 5.530 -9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.897 5.388 -8.108 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.187 1.538 -5.458 1.00 0.00 N ATOM 1040 CA LEU A 71 -2.032 0.665 -5.364 1.00 0.00 C ATOM 1041 C LEU A 71 -2.449 -0.796 -5.553 1.00 0.00 C ATOM 1042 O LEU A 71 -1.845 -1.546 -6.330 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.472 0.934 -3.956 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.366 -0.021 -3.529 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.875 0.194 -4.388 1.00 0.00 C ATOM 1046 CD2 LEU A 71 -0.022 0.300 -2.071 1.00 0.00 C ATOM 0 H LEU A 71 -3.377 2.045 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.285 0.854 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.090 1.954 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.288 0.872 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.696 -1.054 -3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.659 -0.495 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.630 0.011 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.225 1.220 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.770 -0.367 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.316 1.334 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.907 0.162 -1.449 1.00 0.00 H new ATOM 1058 N MET A 72 -3.526 -1.161 -4.870 1.00 0.00 N ATOM 1059 CA MET A 72 -4.099 -2.500 -4.952 1.00 0.00 C ATOM 1060 C MET A 72 -4.928 -2.666 -6.236 1.00 0.00 C ATOM 1061 O MET A 72 -5.064 -3.774 -6.759 1.00 0.00 O ATOM 1062 CB MET A 72 -4.995 -2.733 -3.716 1.00 0.00 C ATOM 1063 CG MET A 72 -4.197 -3.326 -2.550 1.00 0.00 C ATOM 1064 SD MET A 72 -3.616 -4.982 -2.984 1.00 0.00 S ATOM 1065 CE MET A 72 -2.983 -5.416 -1.349 1.00 0.00 C ATOM 0 H MET A 72 -4.029 -0.535 -4.241 1.00 0.00 H new ATOM 0 HA MET A 72 -3.292 -3.232 -4.976 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.445 -1.789 -3.408 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.812 -3.405 -3.979 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.349 -2.683 -2.314 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.820 -3.372 -1.657 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.565 -6.422 -1.376 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.206 -4.708 -1.060 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.795 -5.380 -0.623 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.480 -1.560 -6.726 1.00 0.00 N ATOM 1076 CA ALA A 73 -6.295 -1.599 -7.939 1.00 0.00 C ATOM 1077 C ALA A 73 -5.404 -1.746 -9.162 1.00 0.00 C ATOM 1078 O ALA A 73 -5.689 -2.531 -10.067 1.00 0.00 O ATOM 1079 CB ALA A 73 -7.130 -0.326 -8.069 1.00 0.00 C ATOM 0 H ALA A 73 -5.381 -0.635 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.965 -2.456 -7.872 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.729 -0.375 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.788 -0.233 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.469 0.539 -8.116 1.00 0.00 H new ATOM 1085 N ARG A 74 -4.310 -0.995 -9.165 1.00 0.00 N ATOM 1086 CA ARG A 74 -3.356 -1.049 -10.259 1.00 0.00 C ATOM 1087 C ARG A 74 -2.693 -2.417 -10.275 1.00 0.00 C ATOM 1088 O ARG A 74 -2.434 -2.991 -11.331 1.00 0.00 O ATOM 1089 CB ARG A 74 -2.303 0.038 -10.058 1.00 0.00 C ATOM 1090 CG ARG A 74 -2.930 1.429 -10.273 1.00 0.00 C ATOM 1091 CD ARG A 74 -2.890 1.797 -11.757 1.00 0.00 C ATOM 1092 NE ARG A 74 -1.508 1.826 -12.218 1.00 0.00 N ATOM 1093 CZ ARG A 74 -0.749 2.907 -12.062 1.00 0.00 C ATOM 1094 NH1 ARG A 74 -1.241 3.975 -11.495 1.00 0.00 N ATOM 1095 NH2 ARG A 74 0.488 2.898 -12.477 1.00 0.00 N ATOM 0 H ARG A 74 -4.064 -0.342 -8.421 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.865 -0.885 -11.209 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.886 -0.030 -9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.479 -0.110 -10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.960 1.432 -9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.389 2.175 -9.690 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.462 1.073 -12.337 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.356 2.770 -11.913 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.115 1.000 -12.670 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.208 3.981 -11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.658 4.804 -11.376 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.871 2.063 -12.920 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.072 3.726 -12.358 1.00 0.00 H new ATOM 1109 N LYS A 75 -2.429 -2.932 -9.081 1.00 0.00 N ATOM 1110 CA LYS A 75 -1.806 -4.240 -8.938 1.00 0.00 C ATOM 1111 C LYS A 75 -2.710 -5.324 -9.516 1.00 0.00 C ATOM 1112 O LYS A 75 -2.253 -6.229 -10.216 1.00 0.00 O ATOM 1113 CB LYS A 75 -1.558 -4.515 -7.453 1.00 0.00 C ATOM 1114 CG LYS A 75 -0.792 -5.835 -7.300 1.00 0.00 C ATOM 1115 CD LYS A 75 -0.477 -6.097 -5.818 1.00 0.00 C ATOM 1116 CE LYS A 75 0.303 -7.411 -5.674 1.00 0.00 C ATOM 1117 NZ LYS A 75 0.602 -7.662 -4.232 1.00 0.00 N ATOM 0 H LYS A 75 -2.637 -2.464 -8.199 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.861 -4.249 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.988 -3.698 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.506 -4.568 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.384 -6.656 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.133 -5.796 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.106 -5.271 -5.410 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.402 -6.148 -5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.278 -8.237 -6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.230 -7.359 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.130 -8.553 -4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.173 -6.879 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.289 -7.729 -3.699 1.00 0.00 H new ATOM 1131 N MET A 76 -3.995 -5.219 -9.206 1.00 0.00 N ATOM 1132 CA MET A 76 -4.988 -6.180 -9.673 1.00 0.00 C ATOM 1133 C MET A 76 -5.176 -6.095 -11.194 1.00 0.00 C ATOM 1134 O MET A 76 -5.948 -6.857 -11.779 1.00 0.00 O ATOM 1135 CB MET A 76 -6.319 -5.899 -8.969 1.00 0.00 C ATOM 1136 CG MET A 76 -6.277 -6.429 -7.529 1.00 0.00 C ATOM 1137 SD MET A 76 -6.502 -8.226 -7.546 1.00 0.00 S ATOM 1138 CE MET A 76 -5.620 -8.594 -6.008 1.00 0.00 C ATOM 0 H MET A 76 -4.378 -4.471 -8.628 1.00 0.00 H new ATOM 0 HA MET A 76 -4.640 -7.186 -9.436 1.00 0.00 H new ATOM 0 HB2 MET A 76 -6.518 -4.827 -8.965 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.135 -6.372 -9.515 1.00 0.00 H new ATOM 0 HG2 MET A 76 -5.325 -6.175 -7.063 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.059 -5.959 -6.933 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.639 -9.669 -5.826 1.00 0.00 H new ATOM 0 HE2 MET A 76 -4.586 -8.258 -6.092 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.103 -8.077 -5.179 1.00 0.00 H new ATOM 1148 N LYS A 77 -4.460 -5.169 -11.819 1.00 0.00 N ATOM 1149 CA LYS A 77 -4.539 -4.976 -13.269 1.00 0.00 C ATOM 1150 C LYS A 77 -4.057 -6.218 -14.016 1.00 0.00 C ATOM 1151 O LYS A 77 -4.579 -6.555 -15.080 1.00 0.00 O ATOM 1152 CB LYS A 77 -3.674 -3.780 -13.659 1.00 0.00 C ATOM 1153 CG LYS A 77 -3.830 -3.464 -15.147 1.00 0.00 C ATOM 1154 CD LYS A 77 -3.031 -2.195 -15.451 1.00 0.00 C ATOM 1155 CE LYS A 77 -3.179 -1.817 -16.924 1.00 0.00 C ATOM 1156 NZ LYS A 77 -2.520 -2.853 -17.762 1.00 0.00 N ATOM 0 H LYS A 77 -3.815 -4.536 -11.346 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.579 -4.797 -13.542 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.957 -2.911 -13.066 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.629 -3.992 -13.435 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.469 -4.295 -15.752 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.881 -3.321 -15.397 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.381 -1.377 -14.821 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.979 -2.353 -15.213 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.234 -1.736 -17.187 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.729 -0.842 -17.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.360 -2.476 -18.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.608 -3.115 -17.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.130 -3.693 -17.819 1.00 0.00 H new ATOM 1170 N ASP A 78 -3.050 -6.885 -13.459 1.00 0.00 N ATOM 1171 CA ASP A 78 -2.488 -8.083 -14.078 1.00 0.00 C ATOM 1172 C ASP A 78 -3.553 -9.157 -14.265 1.00 0.00 C ATOM 1173 O ASP A 78 -3.906 -9.511 -15.392 1.00 0.00 O ATOM 1174 CB ASP A 78 -1.364 -8.632 -13.195 1.00 0.00 C ATOM 1175 CG ASP A 78 -0.201 -7.651 -13.174 1.00 0.00 C ATOM 1176 OD1 ASP A 78 -0.058 -6.915 -14.137 1.00 0.00 O ATOM 1177 OD2 ASP A 78 0.530 -7.647 -12.198 1.00 0.00 O ATOM 0 H ASP A 78 -2.606 -6.617 -12.581 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.098 -7.811 -15.059 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.732 -8.796 -12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.030 -9.598 -13.574 1.00 0.00 H new ATOM 1182 N THR A 79 -4.051 -9.678 -13.151 1.00 0.00 N ATOM 1183 CA THR A 79 -5.069 -10.721 -13.189 1.00 0.00 C ATOM 1184 C THR A 79 -5.819 -10.788 -11.863 1.00 0.00 C ATOM 1185 O THR A 79 -6.910 -11.333 -11.850 1.00 0.00 O ATOM 1186 CB THR A 79 -4.412 -12.072 -13.477 1.00 0.00 C ATOM 1187 OG1 THR A 79 -5.306 -13.117 -13.120 1.00 0.00 O ATOM 1188 CG2 THR A 79 -3.122 -12.201 -12.662 1.00 0.00 C ATOM 1189 OXT THR A 79 -5.292 -10.291 -10.881 1.00 0.00 O ATOM 0 H THR A 79 -3.768 -9.397 -12.212 1.00 0.00 H new ATOM 0 HA THR A 79 -5.780 -10.484 -13.980 1.00 0.00 H new ATOM 0 HB THR A 79 -4.176 -12.141 -14.539 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.887 -13.983 -13.305 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.656 -13.164 -12.869 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.436 -11.399 -12.937 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.354 -12.131 -11.599 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 1.412 5.076 10.658 1.00 0.00 CA HETATM 1199 CA CA A 192 -1.079 10.867 0.693 1.00 0.00 CA