USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 160:sc=-0.00471 (180deg=-0.589) USER MOD Single : A 3 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.1) USER MOD Single : A 6 SER OG : rot 180:sc= -0.687 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 20 ASN : amide:sc= -0.476 K(o=-0.48,f=-3.3!) USER MOD Single : A 22 ASN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.5!) USER MOD Single : A 28 SER OG : rot -9:sc= 0.706 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.449 USER MOD Single : A 39 SER OG : rot -95:sc= 0.432 USER MOD Single : A 44 ASN : amide:sc= 0.315 K(o=0.31,f=-2.4!) USER MOD Single : A 46 ASN : amide:sc= -1.49 K(o=-1.5,f=-8.1!) USER MOD Single : A 47 ASN : amide:sc= -2.7 K(o=-2.7,f=-4.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.11) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0997) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 51.725 18.129 4.103 1.00 0.00 N ATOM 2 CA GLU A 1 51.733 19.245 5.094 1.00 0.00 C ATOM 3 C GLU A 1 50.335 19.431 5.697 1.00 0.00 C ATOM 4 O GLU A 1 49.927 20.534 6.008 1.00 0.00 O ATOM 5 CB GLU A 1 52.156 20.489 4.302 1.00 0.00 C ATOM 6 CG GLU A 1 51.179 20.738 3.145 1.00 0.00 C ATOM 7 CD GLU A 1 50.988 22.244 2.952 1.00 0.00 C ATOM 8 OE1 GLU A 1 50.910 22.944 3.948 1.00 0.00 O ATOM 9 OE2 GLU A 1 50.922 22.671 1.810 1.00 0.00 O ATOM 0 H1 GLU A 1 52.544 18.222 3.469 1.00 0.00 H new ATOM 0 H2 GLU A 1 51.777 17.219 4.604 1.00 0.00 H new ATOM 0 H3 GLU A 1 50.848 18.167 3.545 1.00 0.00 H new ATOM 0 HA GLU A 1 52.410 19.050 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 1 52.180 21.357 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 1 53.165 20.356 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 1 51.562 20.289 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 1 50.221 20.263 3.356 1.00 0.00 H new ATOM 18 N PHE A 2 49.602 18.358 5.860 1.00 0.00 N ATOM 19 CA PHE A 2 48.230 18.462 6.439 1.00 0.00 C ATOM 20 C PHE A 2 48.242 18.015 7.904 1.00 0.00 C ATOM 21 O PHE A 2 49.257 17.589 8.423 1.00 0.00 O ATOM 22 CB PHE A 2 47.371 17.518 5.594 1.00 0.00 C ATOM 23 CG PHE A 2 46.632 18.311 4.543 1.00 0.00 C ATOM 24 CD1 PHE A 2 45.526 19.092 4.903 1.00 0.00 C ATOM 25 CD2 PHE A 2 47.054 18.270 3.208 1.00 0.00 C ATOM 26 CE1 PHE A 2 44.842 19.829 3.929 1.00 0.00 C ATOM 27 CE2 PHE A 2 46.370 19.008 2.234 1.00 0.00 C ATOM 28 CZ PHE A 2 45.264 19.787 2.595 1.00 0.00 C ATOM 0 H PHE A 2 49.897 17.412 5.616 1.00 0.00 H new ATOM 0 HA PHE A 2 47.848 19.483 6.422 1.00 0.00 H new ATOM 0 HB2 PHE A 2 48.000 16.764 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 2 46.662 16.988 6.230 1.00 0.00 H new ATOM 0 HD1 PHE A 2 45.201 19.125 5.932 1.00 0.00 H new ATOM 0 HD2 PHE A 2 47.907 17.669 2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 2 43.989 20.430 4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 2 46.696 18.976 1.205 1.00 0.00 H new ATOM 0 HZ PHE A 2 44.736 20.356 1.844 1.00 0.00 H new ATOM 38 N HIS A 3 47.122 18.116 8.572 1.00 0.00 N ATOM 39 CA HIS A 3 47.060 17.702 10.007 1.00 0.00 C ATOM 40 C HIS A 3 45.983 16.631 10.209 1.00 0.00 C ATOM 41 O HIS A 3 44.992 16.851 10.879 1.00 0.00 O ATOM 42 CB HIS A 3 46.711 18.980 10.785 1.00 0.00 C ATOM 43 CG HIS A 3 45.413 19.561 10.282 1.00 0.00 C ATOM 44 ND1 HIS A 3 45.355 20.390 9.173 1.00 0.00 N ATOM 45 CD2 HIS A 3 44.120 19.445 10.730 1.00 0.00 C ATOM 46 CE1 HIS A 3 44.068 20.739 8.994 1.00 0.00 C ATOM 47 NE2 HIS A 3 43.272 20.190 9.916 1.00 0.00 N ATOM 0 H HIS A 3 46.246 18.468 8.186 1.00 0.00 H new ATOM 0 HA HIS A 3 48.000 17.268 10.347 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.629 18.756 11.848 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.512 19.711 10.674 1.00 0.00 H new ATOM 0 HD2 HIS A 3 43.808 18.863 11.585 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.720 21.385 8.201 1.00 0.00 H new ATOM 0 HE2 HIS A 3 42.261 20.294 10.004 1.00 0.00 H new ATOM 55 N GLY A 4 46.175 15.470 9.633 1.00 0.00 N ATOM 56 CA GLY A 4 45.170 14.376 9.786 1.00 0.00 C ATOM 57 C GLY A 4 45.881 13.070 10.187 1.00 0.00 C ATOM 58 O GLY A 4 46.978 13.115 10.706 1.00 0.00 O ATOM 0 H GLY A 4 46.987 15.233 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 44.434 14.648 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 44.628 14.234 8.851 1.00 0.00 H new ATOM 62 N PRO A 5 45.241 11.932 9.945 1.00 0.00 N ATOM 63 CA PRO A 5 45.861 10.633 10.310 1.00 0.00 C ATOM 64 C PRO A 5 47.166 10.426 9.534 1.00 0.00 C ATOM 65 O PRO A 5 47.788 11.373 9.091 1.00 0.00 O ATOM 66 CB PRO A 5 44.796 9.614 9.888 1.00 0.00 C ATOM 67 CG PRO A 5 43.597 10.370 9.284 1.00 0.00 C ATOM 68 CD PRO A 5 43.897 11.874 9.306 1.00 0.00 C ATOM 0 HA PRO A 5 46.128 10.556 11.364 1.00 0.00 H new ATOM 0 HB2 PRO A 5 45.209 8.917 9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 5 44.476 9.024 10.747 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.417 10.036 8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.692 10.158 9.853 1.00 0.00 H new ATOM 0 HD2 PRO A 5 43.907 12.299 8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 5 43.152 12.427 9.879 1.00 0.00 H new ATOM 76 N SER A 6 47.587 9.195 9.372 1.00 0.00 N ATOM 77 CA SER A 6 48.856 8.927 8.628 1.00 0.00 C ATOM 78 C SER A 6 48.842 7.520 8.021 1.00 0.00 C ATOM 79 O SER A 6 49.842 6.827 8.030 1.00 0.00 O ATOM 80 CB SER A 6 49.969 9.041 9.672 1.00 0.00 C ATOM 81 OG SER A 6 49.687 10.123 10.554 1.00 0.00 O ATOM 0 H SER A 6 47.107 8.366 9.722 1.00 0.00 H new ATOM 0 HA SER A 6 48.993 9.626 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 6 50.050 8.111 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 6 50.928 9.200 9.180 1.00 0.00 H new ATOM 0 HG SER A 6 50.400 10.194 11.223 1.00 0.00 H new ATOM 87 N TRP A 7 47.725 7.098 7.490 1.00 0.00 N ATOM 88 CA TRP A 7 47.653 5.738 6.871 1.00 0.00 C ATOM 89 C TRP A 7 46.921 5.796 5.520 1.00 0.00 C ATOM 90 O TRP A 7 46.527 4.780 4.978 1.00 0.00 O ATOM 91 CB TRP A 7 46.882 4.875 7.879 1.00 0.00 C ATOM 92 CG TRP A 7 45.507 5.432 8.093 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.187 6.385 8.997 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.269 5.085 7.408 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.830 6.645 8.911 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.222 5.869 7.945 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.958 4.174 6.382 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.910 5.754 7.481 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.639 4.055 5.913 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.618 4.845 6.460 1.00 0.00 C ATOM 0 H TRP A 7 46.858 7.635 7.457 1.00 0.00 H new ATOM 0 HA TRP A 7 48.643 5.329 6.667 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.814 3.850 7.514 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.420 4.841 8.826 1.00 0.00 H new ATOM 0 HD1 TRP A 7 45.877 6.865 9.675 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.340 7.326 9.490 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.738 3.563 5.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.127 6.363 7.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.410 3.351 5.127 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.607 4.751 6.093 1.00 0.00 H new ATOM 111 N CYS A 8 46.743 6.974 4.970 1.00 0.00 N ATOM 112 CA CYS A 8 46.047 7.094 3.655 1.00 0.00 C ATOM 113 C CYS A 8 47.088 7.175 2.540 1.00 0.00 C ATOM 114 O CYS A 8 47.021 6.456 1.560 1.00 0.00 O ATOM 115 CB CYS A 8 45.243 8.397 3.751 1.00 0.00 C ATOM 116 SG CYS A 8 43.555 8.125 3.141 1.00 0.00 S ATOM 0 H CYS A 8 47.051 7.857 5.378 1.00 0.00 H new ATOM 0 HA CYS A 8 45.402 6.244 3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 8 45.215 8.742 4.785 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.729 9.179 3.167 1.00 0.00 H new ATOM 121 N LEU A 9 48.059 8.036 2.697 1.00 0.00 N ATOM 122 CA LEU A 9 49.128 8.166 1.665 1.00 0.00 C ATOM 123 C LEU A 9 50.420 7.506 2.168 1.00 0.00 C ATOM 124 O LEU A 9 51.508 7.837 1.734 1.00 0.00 O ATOM 125 CB LEU A 9 49.325 9.671 1.492 1.00 0.00 C ATOM 126 CG LEU A 9 48.027 10.306 0.986 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.149 11.828 1.067 1.00 0.00 C ATOM 128 CD2 LEU A 9 47.779 9.889 -0.468 1.00 0.00 C ATOM 0 H LEU A 9 48.157 8.657 3.500 1.00 0.00 H new ATOM 0 HA LEU A 9 48.865 7.680 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.615 10.121 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 9 50.134 9.863 0.787 1.00 0.00 H new ATOM 0 HG LEU A 9 47.193 9.970 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.228 12.286 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.323 12.125 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 9 48.984 12.159 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 9 46.854 10.343 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 9 48.610 10.223 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 9 47.696 8.804 -0.526 1.00 0.00 H new ATOM 140 N THR A 10 50.300 6.577 3.083 1.00 0.00 N ATOM 141 CA THR A 10 51.507 5.888 3.627 1.00 0.00 C ATOM 142 C THR A 10 51.998 4.816 2.632 1.00 0.00 C ATOM 143 O THR A 10 51.197 4.265 1.902 1.00 0.00 O ATOM 144 CB THR A 10 51.043 5.251 4.946 1.00 0.00 C ATOM 145 OG1 THR A 10 52.138 4.582 5.557 1.00 0.00 O ATOM 146 CG2 THR A 10 49.912 4.248 4.688 1.00 0.00 C ATOM 0 H THR A 10 49.413 6.266 3.478 1.00 0.00 H new ATOM 0 HA THR A 10 52.342 6.570 3.786 1.00 0.00 H new ATOM 0 HB THR A 10 50.673 6.036 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 10 51.845 4.176 6.399 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.595 3.806 5.633 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.068 4.762 4.227 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.267 3.463 4.021 1.00 0.00 H new ATOM 154 N PRO A 11 53.295 4.540 2.617 1.00 0.00 N ATOM 155 CA PRO A 11 53.824 3.520 1.680 1.00 0.00 C ATOM 156 C PRO A 11 53.223 2.148 1.996 1.00 0.00 C ATOM 157 O PRO A 11 52.626 1.950 3.038 1.00 0.00 O ATOM 158 CB PRO A 11 55.331 3.547 1.958 1.00 0.00 C ATOM 159 CG PRO A 11 55.616 4.592 3.053 1.00 0.00 C ATOM 160 CD PRO A 11 54.287 5.208 3.506 1.00 0.00 C ATOM 0 HA PRO A 11 53.584 3.715 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.673 2.563 2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 11 55.878 3.795 1.048 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.123 4.125 3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.281 5.367 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.086 5.008 4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.279 6.291 3.380 1.00 0.00 H new ATOM 168 N ALA A 12 53.374 1.202 1.104 1.00 0.00 N ATOM 169 CA ALA A 12 52.809 -0.161 1.348 1.00 0.00 C ATOM 170 C ALA A 12 53.603 -0.874 2.446 1.00 0.00 C ATOM 171 O ALA A 12 54.611 -1.504 2.186 1.00 0.00 O ATOM 172 CB ALA A 12 52.948 -0.901 0.016 1.00 0.00 C ATOM 0 H ALA A 12 53.864 1.314 0.217 1.00 0.00 H new ATOM 0 HA ALA A 12 51.772 -0.121 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.553 -1.912 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.390 -0.370 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.000 -0.949 -0.265 1.00 0.00 H new ATOM 178 N ASP A 13 53.151 -0.777 3.670 1.00 0.00 N ATOM 179 CA ASP A 13 53.872 -1.445 4.798 1.00 0.00 C ATOM 180 C ASP A 13 53.927 -2.958 4.571 1.00 0.00 C ATOM 181 O ASP A 13 52.941 -3.653 4.730 1.00 0.00 O ATOM 182 CB ASP A 13 53.054 -1.122 6.050 1.00 0.00 C ATOM 183 CG ASP A 13 53.570 0.175 6.674 1.00 0.00 C ATOM 184 OD1 ASP A 13 53.557 1.185 5.990 1.00 0.00 O ATOM 185 OD2 ASP A 13 53.975 0.136 7.824 1.00 0.00 O ATOM 0 H ASP A 13 52.312 -0.263 3.939 1.00 0.00 H new ATOM 0 HA ASP A 13 54.901 -1.098 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.000 -1.020 5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 13 53.129 -1.939 6.768 1.00 0.00 H new ATOM 190 N ARG A 14 55.073 -3.466 4.201 1.00 0.00 N ATOM 191 CA ARG A 14 55.203 -4.936 3.961 1.00 0.00 C ATOM 192 C ARG A 14 54.920 -5.707 5.253 1.00 0.00 C ATOM 193 O ARG A 14 53.893 -6.344 5.392 1.00 0.00 O ATOM 194 CB ARG A 14 56.656 -5.149 3.513 1.00 0.00 C ATOM 195 CG ARG A 14 56.695 -5.437 2.010 1.00 0.00 C ATOM 196 CD ARG A 14 58.149 -5.576 1.555 1.00 0.00 C ATOM 197 NE ARG A 14 58.065 -6.101 0.164 1.00 0.00 N ATOM 198 CZ ARG A 14 58.872 -7.050 -0.228 1.00 0.00 C ATOM 199 NH1 ARG A 14 60.132 -7.021 0.117 1.00 0.00 N ATOM 200 NH2 ARG A 14 58.420 -8.028 -0.964 1.00 0.00 N ATOM 0 H ARG A 14 55.926 -2.927 4.054 1.00 0.00 H new ATOM 0 HA ARG A 14 54.495 -5.294 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 14 57.250 -4.263 3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 14 57.099 -5.979 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 14 56.145 -6.352 1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 14 56.207 -4.631 1.462 1.00 0.00 H new ATOM 0 HD2 ARG A 14 58.666 -4.617 1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 14 58.702 -6.257 2.202 1.00 0.00 H new ATOM 0 HE ARG A 14 57.376 -5.719 -0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 14 60.486 -6.257 0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.762 -7.762 -0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 14 57.436 -8.051 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 14 59.050 -8.769 -1.270 1.00 0.00 H new ATOM 214 N GLY A 15 55.826 -5.651 6.196 1.00 0.00 N ATOM 215 CA GLY A 15 55.620 -6.377 7.484 1.00 0.00 C ATOM 216 C GLY A 15 56.975 -6.772 8.072 1.00 0.00 C ATOM 217 O GLY A 15 57.963 -6.085 7.890 1.00 0.00 O ATOM 0 H GLY A 15 56.702 -5.132 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 15 55.078 -5.745 8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 15 55.011 -7.266 7.319 1.00 0.00 H new ATOM 221 N LEU A 16 57.026 -7.874 8.774 1.00 0.00 N ATOM 222 CA LEU A 16 58.315 -8.326 9.380 1.00 0.00 C ATOM 223 C LEU A 16 58.458 -9.853 9.294 1.00 0.00 C ATOM 224 O LEU A 16 59.315 -10.434 9.934 1.00 0.00 O ATOM 225 CB LEU A 16 58.237 -7.880 10.841 1.00 0.00 C ATOM 226 CG LEU A 16 59.023 -6.580 11.028 1.00 0.00 C ATOM 227 CD1 LEU A 16 58.703 -5.984 12.399 1.00 0.00 C ATOM 228 CD2 LEU A 16 60.522 -6.873 10.939 1.00 0.00 C ATOM 0 H LEU A 16 56.228 -8.483 8.955 1.00 0.00 H new ATOM 0 HA LEU A 16 59.177 -7.906 8.861 1.00 0.00 H new ATOM 0 HB2 LEU A 16 57.197 -7.732 11.131 1.00 0.00 H new ATOM 0 HB3 LEU A 16 58.641 -8.657 11.490 1.00 0.00 H new ATOM 0 HG LEU A 16 58.743 -5.872 10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 16 59.262 -5.058 12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.635 -5.775 12.465 1.00 0.00 H new ATOM 0 HD13 LEU A 16 58.983 -6.693 13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 16 61.082 -5.947 11.072 1.00 0.00 H new ATOM 0 HD22 LEU A 16 60.801 -7.581 11.719 1.00 0.00 H new ATOM 0 HD23 LEU A 16 60.752 -7.299 9.962 1.00 0.00 H new ATOM 240 N CYS A 17 57.634 -10.508 8.509 1.00 0.00 N ATOM 241 CA CYS A 17 57.734 -11.997 8.386 1.00 0.00 C ATOM 242 C CYS A 17 57.625 -12.417 6.918 1.00 0.00 C ATOM 243 O CYS A 17 57.733 -11.600 6.022 1.00 0.00 O ATOM 244 CB CYS A 17 56.567 -12.569 9.206 1.00 0.00 C ATOM 245 SG CYS A 17 54.990 -11.881 8.633 1.00 0.00 S ATOM 0 H CYS A 17 56.898 -10.076 7.950 1.00 0.00 H new ATOM 0 HA CYS A 17 58.691 -12.368 8.752 1.00 0.00 H new ATOM 0 HB2 CYS A 17 56.550 -13.655 9.117 1.00 0.00 H new ATOM 0 HB3 CYS A 17 56.709 -12.338 10.262 1.00 0.00 H new ATOM 250 N ARG A 18 57.428 -13.686 6.667 1.00 0.00 N ATOM 251 CA ARG A 18 57.330 -14.170 5.258 1.00 0.00 C ATOM 252 C ARG A 18 55.884 -14.525 4.899 1.00 0.00 C ATOM 253 O ARG A 18 55.373 -15.557 5.291 1.00 0.00 O ATOM 254 CB ARG A 18 58.213 -15.417 5.207 1.00 0.00 C ATOM 255 CG ARG A 18 58.616 -15.701 3.759 1.00 0.00 C ATOM 256 CD ARG A 18 59.674 -14.689 3.313 1.00 0.00 C ATOM 257 NE ARG A 18 59.989 -15.059 1.905 1.00 0.00 N ATOM 258 CZ ARG A 18 60.810 -16.042 1.657 1.00 0.00 C ATOM 259 NH1 ARG A 18 62.093 -15.883 1.835 1.00 0.00 N ATOM 260 NH2 ARG A 18 60.348 -17.188 1.232 1.00 0.00 N ATOM 0 H ARG A 18 57.331 -14.409 7.380 1.00 0.00 H new ATOM 0 HA ARG A 18 57.647 -13.408 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 18 59.102 -15.271 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 18 57.677 -16.272 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 18 59.008 -16.714 3.672 1.00 0.00 H new ATOM 0 HG3 ARG A 18 57.743 -15.640 3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 18 59.297 -13.668 3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 18 60.562 -14.742 3.943 1.00 0.00 H new ATOM 0 HE ARG A 18 59.563 -14.544 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 18 62.455 -14.989 2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 18 62.734 -16.652 1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 18 59.345 -17.314 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.990 -17.956 1.038 1.00 0.00 H new ATOM 274 N ALA A 19 55.231 -13.680 4.144 1.00 0.00 N ATOM 275 CA ALA A 19 53.822 -13.958 3.734 1.00 0.00 C ATOM 276 C ALA A 19 53.564 -13.369 2.345 1.00 0.00 C ATOM 277 O ALA A 19 53.616 -12.168 2.149 1.00 0.00 O ATOM 278 CB ALA A 19 52.947 -13.276 4.785 1.00 0.00 C ATOM 0 H ALA A 19 55.616 -12.804 3.792 1.00 0.00 H new ATOM 0 HA ALA A 19 53.610 -15.026 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 19 51.896 -13.440 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 19 53.165 -13.695 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 19 53.155 -12.206 4.793 1.00 0.00 H new ATOM 284 N ASN A 20 53.297 -14.209 1.381 1.00 0.00 N ATOM 285 CA ASN A 20 53.043 -13.716 -0.006 1.00 0.00 C ATOM 286 C ASN A 20 51.550 -13.440 -0.219 1.00 0.00 C ATOM 287 O ASN A 20 50.881 -14.140 -0.955 1.00 0.00 O ATOM 288 CB ASN A 20 53.518 -14.849 -0.918 1.00 0.00 C ATOM 289 CG ASN A 20 54.086 -14.262 -2.211 1.00 0.00 C ATOM 290 OD1 ASN A 20 54.935 -13.395 -2.177 1.00 0.00 O ATOM 291 ND2 ASN A 20 53.650 -14.704 -3.359 1.00 0.00 N ATOM 0 H ASN A 20 53.243 -15.221 1.494 1.00 0.00 H new ATOM 0 HA ASN A 20 53.562 -12.779 -0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 20 54.279 -15.443 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 20 52.689 -15.519 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 20 54.023 -14.321 -4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 20 52.937 -15.433 -3.387 1.00 0.00 H new ATOM 298 N GLU A 21 51.028 -12.420 0.415 1.00 0.00 N ATOM 299 CA GLU A 21 49.580 -12.090 0.245 1.00 0.00 C ATOM 300 C GLU A 21 49.390 -11.211 -0.995 1.00 0.00 C ATOM 301 O GLU A 21 50.257 -11.133 -1.845 1.00 0.00 O ATOM 302 CB GLU A 21 49.188 -11.324 1.513 1.00 0.00 C ATOM 303 CG GLU A 21 49.428 -12.201 2.753 1.00 0.00 C ATOM 304 CD GLU A 21 48.149 -12.277 3.593 1.00 0.00 C ATOM 305 OE1 GLU A 21 47.204 -12.900 3.140 1.00 0.00 O ATOM 306 OE2 GLU A 21 48.140 -11.712 4.674 1.00 0.00 O ATOM 0 H GLU A 21 51.542 -11.802 1.043 1.00 0.00 H new ATOM 0 HA GLU A 21 48.966 -12.980 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.771 -10.406 1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.139 -11.032 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 21 49.733 -13.202 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 21 50.241 -11.788 3.350 1.00 0.00 H new ATOM 313 N ASN A 22 48.264 -10.550 -1.103 1.00 0.00 N ATOM 314 CA ASN A 22 48.015 -9.673 -2.288 1.00 0.00 C ATOM 315 C ASN A 22 47.011 -8.571 -1.927 1.00 0.00 C ATOM 316 O ASN A 22 45.877 -8.577 -2.368 1.00 0.00 O ATOM 317 CB ASN A 22 47.443 -10.611 -3.365 1.00 0.00 C ATOM 318 CG ASN A 22 48.267 -10.487 -4.649 1.00 0.00 C ATOM 319 OD1 ASN A 22 47.770 -10.040 -5.663 1.00 0.00 O ATOM 320 ND2 ASN A 22 49.515 -10.869 -4.647 1.00 0.00 N ATOM 0 H ASN A 22 47.506 -10.580 -0.421 1.00 0.00 H new ATOM 0 HA ASN A 22 48.919 -9.171 -2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 22 47.459 -11.641 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.401 -10.359 -3.564 1.00 0.00 H new ATOM 0 HD21 ASN A 22 50.073 -10.792 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 22 49.932 -11.244 -3.795 1.00 0.00 H new ATOM 327 N ARG A 23 47.424 -7.625 -1.122 1.00 0.00 N ATOM 328 CA ARG A 23 46.502 -6.517 -0.722 1.00 0.00 C ATOM 329 C ARG A 23 46.622 -5.340 -1.699 1.00 0.00 C ATOM 330 O ARG A 23 47.612 -5.193 -2.387 1.00 0.00 O ATOM 331 CB ARG A 23 46.962 -6.104 0.678 1.00 0.00 C ATOM 332 CG ARG A 23 46.743 -7.264 1.652 1.00 0.00 C ATOM 333 CD ARG A 23 45.243 -7.467 1.880 1.00 0.00 C ATOM 334 NE ARG A 23 45.142 -8.152 3.198 1.00 0.00 N ATOM 335 CZ ARG A 23 44.184 -7.834 4.026 1.00 0.00 C ATOM 336 NH1 ARG A 23 42.979 -8.299 3.839 1.00 0.00 N ATOM 337 NH2 ARG A 23 44.431 -7.051 5.040 1.00 0.00 N ATOM 0 H ARG A 23 48.361 -7.571 -0.723 1.00 0.00 H new ATOM 0 HA ARG A 23 45.457 -6.828 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.016 -5.826 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.407 -5.227 1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 23 47.187 -8.176 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.240 -7.055 2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 23 44.713 -6.515 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.801 -8.070 1.087 1.00 0.00 H new ATOM 0 HE ARG A 23 45.821 -8.869 3.454 1.00 0.00 H new ATOM 0 HH11 ARG A 23 42.786 -8.911 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.230 -8.051 4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 23 45.373 -6.687 5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 23 43.682 -6.803 5.687 1.00 0.00 H new ATOM 351 N PHE A 24 45.612 -4.508 -1.767 1.00 0.00 N ATOM 352 CA PHE A 24 45.652 -3.334 -2.695 1.00 0.00 C ATOM 353 C PHE A 24 46.205 -2.091 -1.978 1.00 0.00 C ATOM 354 O PHE A 24 45.575 -1.548 -1.090 1.00 0.00 O ATOM 355 CB PHE A 24 44.196 -3.122 -3.113 1.00 0.00 C ATOM 356 CG PHE A 24 43.829 -4.131 -4.176 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.767 -5.494 -3.859 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.554 -3.703 -5.479 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.428 -6.427 -4.848 1.00 0.00 C ATOM 360 CE2 PHE A 24 43.216 -4.634 -6.467 1.00 0.00 C ATOM 361 CZ PHE A 24 43.154 -5.997 -6.152 1.00 0.00 C ATOM 0 H PHE A 24 44.757 -4.592 -1.217 1.00 0.00 H new ATOM 0 HA PHE A 24 46.304 -3.505 -3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.539 -3.230 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 24 44.059 -2.110 -3.493 1.00 0.00 H new ATOM 0 HD1 PHE A 24 43.980 -5.825 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 24 43.603 -2.652 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.378 -7.478 -4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 24 43.003 -4.302 -7.472 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.895 -6.716 -6.915 1.00 0.00 H new ATOM 371 N TYR A 25 47.378 -1.639 -2.358 1.00 0.00 N ATOM 372 CA TYR A 25 47.980 -0.431 -1.704 1.00 0.00 C ATOM 373 C TYR A 25 47.577 0.852 -2.465 1.00 0.00 C ATOM 374 O TYR A 25 47.711 0.935 -3.669 1.00 0.00 O ATOM 375 CB TYR A 25 49.507 -0.697 -1.755 1.00 0.00 C ATOM 376 CG TYR A 25 50.304 0.596 -1.783 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.050 1.595 -0.838 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.285 0.790 -2.763 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.777 2.789 -0.872 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.012 1.984 -2.798 1.00 0.00 C ATOM 381 CZ TYR A 25 51.758 2.985 -1.853 1.00 0.00 C ATOM 382 OH TYR A 25 52.473 4.164 -1.887 1.00 0.00 O ATOM 0 H TYR A 25 47.946 -2.056 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 25 47.637 -0.275 -0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.802 -1.287 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.744 -1.289 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.293 1.444 -0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.480 0.017 -3.492 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.582 3.560 -0.142 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.769 2.134 -3.554 1.00 0.00 H new ATOM 0 HH TYR A 25 53.114 4.137 -2.628 1.00 0.00 H new ATOM 392 N TYR A 26 47.108 1.853 -1.756 1.00 0.00 N ATOM 393 CA TYR A 26 46.719 3.138 -2.422 1.00 0.00 C ATOM 394 C TYR A 26 47.979 3.897 -2.862 1.00 0.00 C ATOM 395 O TYR A 26 48.745 4.360 -2.038 1.00 0.00 O ATOM 396 CB TYR A 26 45.963 3.939 -1.359 1.00 0.00 C ATOM 397 CG TYR A 26 45.479 5.236 -1.968 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.270 5.270 -2.672 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.247 6.399 -1.839 1.00 0.00 C ATOM 400 CE1 TYR A 26 43.828 6.468 -3.247 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.804 7.598 -2.411 1.00 0.00 C ATOM 402 CZ TYR A 26 44.595 7.632 -3.117 1.00 0.00 C ATOM 403 OH TYR A 26 44.161 8.812 -3.685 1.00 0.00 O ATOM 0 H TYR A 26 46.978 1.835 -0.744 1.00 0.00 H new ATOM 0 HA TYR A 26 46.108 2.971 -3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.118 3.362 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.613 4.143 -0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 26 43.678 4.372 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.181 6.372 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 26 42.895 6.494 -3.791 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.395 8.496 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 26 44.810 9.522 -3.500 1.00 0.00 H new ATOM 413 N ASN A 27 48.197 4.033 -4.148 1.00 0.00 N ATOM 414 CA ASN A 27 49.407 4.769 -4.629 1.00 0.00 C ATOM 415 C ASN A 27 49.111 6.272 -4.702 1.00 0.00 C ATOM 416 O ASN A 27 48.151 6.694 -5.322 1.00 0.00 O ATOM 417 CB ASN A 27 49.701 4.203 -6.023 1.00 0.00 C ATOM 418 CG ASN A 27 51.181 3.823 -6.126 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.621 2.878 -5.503 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.971 4.525 -6.891 1.00 0.00 N ATOM 0 H ASN A 27 47.591 3.667 -4.883 1.00 0.00 H new ATOM 0 HA ASN A 27 50.259 4.644 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.078 3.329 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.451 4.941 -6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.958 4.280 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.601 5.319 -7.414 1.00 0.00 H new ATOM 427 N SER A 28 49.928 7.077 -4.069 1.00 0.00 N ATOM 428 CA SER A 28 49.700 8.557 -4.085 1.00 0.00 C ATOM 429 C SER A 28 50.234 9.196 -5.377 1.00 0.00 C ATOM 430 O SER A 28 50.192 10.402 -5.532 1.00 0.00 O ATOM 431 CB SER A 28 50.468 9.086 -2.875 1.00 0.00 C ATOM 432 OG SER A 28 50.446 10.507 -2.889 1.00 0.00 O ATOM 0 H SER A 28 50.746 6.773 -3.540 1.00 0.00 H new ATOM 0 HA SER A 28 48.637 8.797 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.020 8.713 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.497 8.727 -2.897 1.00 0.00 H new ATOM 0 HG SER A 28 50.074 10.820 -3.740 1.00 0.00 H new ATOM 438 N VAL A 29 50.727 8.410 -6.306 1.00 0.00 N ATOM 439 CA VAL A 29 51.247 8.988 -7.580 1.00 0.00 C ATOM 440 C VAL A 29 50.194 8.826 -8.680 1.00 0.00 C ATOM 441 O VAL A 29 49.742 9.793 -9.264 1.00 0.00 O ATOM 442 CB VAL A 29 52.509 8.180 -7.898 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.103 8.643 -9.234 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.538 8.399 -6.787 1.00 0.00 C ATOM 0 H VAL A 29 50.790 7.395 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 29 51.468 10.053 -7.505 1.00 0.00 H new ATOM 0 HB VAL A 29 52.252 7.123 -7.966 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.000 8.064 -9.453 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.372 8.494 -10.028 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.360 9.700 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.439 7.826 -7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 29 53.787 9.458 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.122 8.069 -5.835 1.00 0.00 H new ATOM 454 N ILE A 30 49.796 7.610 -8.953 1.00 0.00 N ATOM 455 CA ILE A 30 48.761 7.384 -10.005 1.00 0.00 C ATOM 456 C ILE A 30 47.362 7.550 -9.399 1.00 0.00 C ATOM 457 O ILE A 30 46.467 8.079 -10.033 1.00 0.00 O ATOM 458 CB ILE A 30 48.993 5.963 -10.546 1.00 0.00 C ATOM 459 CG1 ILE A 30 48.881 4.923 -9.425 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.389 5.885 -11.165 1.00 0.00 C ATOM 461 CD1 ILE A 30 48.961 3.520 -10.029 1.00 0.00 C ATOM 0 H ILE A 30 50.142 6.767 -8.495 1.00 0.00 H new ATOM 0 HA ILE A 30 48.835 8.106 -10.818 1.00 0.00 H new ATOM 0 HB ILE A 30 48.231 5.748 -11.295 1.00 0.00 H new ATOM 0 HG12 ILE A 30 49.682 5.065 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.940 5.048 -8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.560 4.880 -11.551 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.466 6.605 -11.980 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.137 6.115 -10.406 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.882 2.777 -9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.145 3.382 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.914 3.400 -10.545 1.00 0.00 H new ATOM 473 N GLY A 31 47.172 7.139 -8.165 1.00 0.00 N ATOM 474 CA GLY A 31 45.838 7.318 -7.513 1.00 0.00 C ATOM 475 C GLY A 31 45.141 5.973 -7.295 1.00 0.00 C ATOM 476 O GLY A 31 44.568 5.732 -6.248 1.00 0.00 O ATOM 0 H GLY A 31 47.881 6.690 -7.586 1.00 0.00 H new ATOM 0 HA2 GLY A 31 45.964 7.824 -6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.211 7.959 -8.133 1.00 0.00 H new ATOM 480 N LYS A 32 45.165 5.107 -8.273 1.00 0.00 N ATOM 481 CA LYS A 32 44.478 3.784 -8.119 1.00 0.00 C ATOM 482 C LYS A 32 45.230 2.901 -7.119 1.00 0.00 C ATOM 483 O LYS A 32 46.394 3.113 -6.840 1.00 0.00 O ATOM 484 CB LYS A 32 44.480 3.157 -9.519 1.00 0.00 C ATOM 485 CG LYS A 32 45.923 2.972 -10.012 1.00 0.00 C ATOM 486 CD LYS A 32 46.267 1.478 -10.070 1.00 0.00 C ATOM 487 CE LYS A 32 47.141 1.197 -11.296 1.00 0.00 C ATOM 488 NZ LYS A 32 46.712 -0.146 -11.773 1.00 0.00 N ATOM 0 H LYS A 32 45.628 5.254 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 32 43.465 3.893 -7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 32 43.969 2.194 -9.496 1.00 0.00 H new ATOM 0 HB3 LYS A 32 43.929 3.793 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.040 3.420 -10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.614 3.488 -9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 32 46.791 1.180 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 32 45.353 0.886 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 32 46.996 1.955 -12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 32 48.200 1.204 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 47.266 -0.410 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 46.868 -0.847 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 45.702 -0.121 -12.019 1.00 0.00 H new ATOM 502 N CYS A 33 44.563 1.914 -6.577 1.00 0.00 N ATOM 503 CA CYS A 33 45.221 1.006 -5.591 1.00 0.00 C ATOM 504 C CYS A 33 45.976 -0.106 -6.326 1.00 0.00 C ATOM 505 O CYS A 33 45.386 -0.915 -7.016 1.00 0.00 O ATOM 506 CB CYS A 33 44.066 0.425 -4.764 1.00 0.00 C ATOM 507 SG CYS A 33 44.487 0.459 -3.002 1.00 0.00 S ATOM 0 H CYS A 33 43.586 1.698 -6.776 1.00 0.00 H new ATOM 0 HA CYS A 33 45.949 1.522 -4.966 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.157 1.000 -4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.862 -0.599 -5.078 1.00 0.00 H new ATOM 512 N ARG A 34 47.277 -0.146 -6.184 1.00 0.00 N ATOM 513 CA ARG A 34 48.078 -1.199 -6.873 1.00 0.00 C ATOM 514 C ARG A 34 48.204 -2.449 -5.964 1.00 0.00 C ATOM 515 O ARG A 34 48.560 -2.311 -4.809 1.00 0.00 O ATOM 516 CB ARG A 34 49.447 -0.546 -7.130 1.00 0.00 C ATOM 517 CG ARG A 34 50.170 -0.271 -5.805 1.00 0.00 C ATOM 518 CD ARG A 34 51.224 -1.358 -5.562 1.00 0.00 C ATOM 519 NE ARG A 34 52.523 -0.734 -5.946 1.00 0.00 N ATOM 520 CZ ARG A 34 53.637 -1.388 -5.763 1.00 0.00 C ATOM 521 NH1 ARG A 34 53.895 -1.926 -4.603 1.00 0.00 N ATOM 522 NH2 ARG A 34 54.492 -1.506 -6.742 1.00 0.00 N ATOM 0 H ARG A 34 47.819 0.508 -5.619 1.00 0.00 H new ATOM 0 HA ARG A 34 47.620 -1.541 -7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 34 50.056 -1.199 -7.754 1.00 0.00 H new ATOM 0 HB3 ARG A 34 49.314 0.386 -7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 34 50.644 0.710 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 34 49.453 -0.255 -4.984 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.232 -1.673 -4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.021 -2.245 -6.162 1.00 0.00 H new ATOM 0 HE ARG A 34 52.540 0.202 -6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 34 53.226 -1.835 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 34 54.766 -2.437 -4.460 1.00 0.00 H new ATOM 0 HH21 ARG A 34 54.289 -1.087 -7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 34 55.363 -2.017 -6.600 1.00 0.00 H new ATOM 536 N PRO A 35 47.911 -3.637 -6.483 1.00 0.00 N ATOM 537 CA PRO A 35 48.013 -4.859 -5.644 1.00 0.00 C ATOM 538 C PRO A 35 49.470 -5.118 -5.248 1.00 0.00 C ATOM 539 O PRO A 35 50.337 -5.241 -6.093 1.00 0.00 O ATOM 540 CB PRO A 35 47.495 -5.960 -6.579 1.00 0.00 C ATOM 541 CG PRO A 35 47.114 -5.326 -7.930 1.00 0.00 C ATOM 542 CD PRO A 35 47.471 -3.836 -7.892 1.00 0.00 C ATOM 0 HA PRO A 35 47.457 -4.794 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.260 -6.723 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.630 -6.454 -6.137 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.645 -5.821 -8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 35 46.049 -5.454 -8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.262 -3.592 -8.601 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.615 -3.209 -8.141 1.00 0.00 H new ATOM 550 N PHE A 36 49.745 -5.205 -3.968 1.00 0.00 N ATOM 551 CA PHE A 36 51.146 -5.461 -3.520 1.00 0.00 C ATOM 552 C PHE A 36 51.197 -6.706 -2.619 1.00 0.00 C ATOM 553 O PHE A 36 50.206 -7.095 -2.029 1.00 0.00 O ATOM 554 CB PHE A 36 51.572 -4.181 -2.768 1.00 0.00 C ATOM 555 CG PHE A 36 50.929 -4.107 -1.395 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.594 -3.710 -1.261 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.677 -4.438 -0.258 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.005 -3.647 0.008 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.089 -4.375 1.011 1.00 0.00 C ATOM 560 CZ PHE A 36 49.754 -3.978 1.144 1.00 0.00 C ATOM 0 H PHE A 36 49.060 -5.110 -3.218 1.00 0.00 H new ATOM 0 HA PHE A 36 51.822 -5.666 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.657 -4.161 -2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.291 -3.304 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.017 -3.452 -2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.708 -4.742 -0.360 1.00 0.00 H new ATOM 0 HE1 PHE A 36 47.974 -3.343 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.666 -4.633 1.887 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.301 -3.927 2.123 1.00 0.00 H new ATOM 570 N LYS A 37 52.345 -7.327 -2.512 1.00 0.00 N ATOM 571 CA LYS A 37 52.465 -8.542 -1.651 1.00 0.00 C ATOM 572 C LYS A 37 52.529 -8.134 -0.176 1.00 0.00 C ATOM 573 O LYS A 37 53.563 -7.731 0.322 1.00 0.00 O ATOM 574 CB LYS A 37 53.770 -9.220 -2.084 1.00 0.00 C ATOM 575 CG LYS A 37 53.452 -10.494 -2.871 1.00 0.00 C ATOM 576 CD LYS A 37 54.653 -10.872 -3.740 1.00 0.00 C ATOM 577 CE LYS A 37 54.666 -9.998 -4.997 1.00 0.00 C ATOM 578 NZ LYS A 37 56.010 -10.210 -5.601 1.00 0.00 N ATOM 0 H LYS A 37 53.204 -7.045 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 37 51.612 -9.211 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.359 -8.539 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.373 -9.462 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.216 -11.308 -2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.573 -10.338 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.578 -10.737 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.599 -11.925 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 37 53.873 -10.287 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 37 54.506 -8.949 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 56.094 -9.642 -6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 56.744 -9.919 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 56.132 -11.217 -5.833 1.00 0.00 H new ATOM 592 N TYR A 38 51.426 -8.237 0.520 1.00 0.00 N ATOM 593 CA TYR A 38 51.402 -7.857 1.964 1.00 0.00 C ATOM 594 C TYR A 38 51.889 -9.030 2.822 1.00 0.00 C ATOM 595 O TYR A 38 51.846 -10.173 2.408 1.00 0.00 O ATOM 596 CB TYR A 38 49.932 -7.537 2.258 1.00 0.00 C ATOM 597 CG TYR A 38 49.765 -7.153 3.709 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.515 -6.101 4.249 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.859 -7.852 4.515 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.359 -5.749 5.595 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.703 -7.500 5.861 1.00 0.00 C ATOM 602 CZ TYR A 38 49.452 -6.448 6.400 1.00 0.00 C ATOM 603 OH TYR A 38 49.298 -6.101 7.727 1.00 0.00 O ATOM 0 H TYR A 38 50.537 -8.570 0.148 1.00 0.00 H new ATOM 0 HA TYR A 38 52.053 -7.012 2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.594 -6.723 1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.310 -8.403 2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.214 -5.561 3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.280 -8.663 4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.938 -4.938 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.005 -8.040 6.483 1.00 0.00 H new ATOM 0 HH TYR A 38 48.629 -6.685 8.142 1.00 0.00 H new ATOM 613 N SER A 39 52.347 -8.752 4.017 1.00 0.00 N ATOM 614 CA SER A 39 52.832 -9.845 4.909 1.00 0.00 C ATOM 615 C SER A 39 51.659 -10.433 5.696 1.00 0.00 C ATOM 616 O SER A 39 50.510 -10.153 5.410 1.00 0.00 O ATOM 617 CB SER A 39 53.831 -9.176 5.853 1.00 0.00 C ATOM 618 OG SER A 39 53.125 -8.394 6.808 1.00 0.00 O ATOM 0 H SER A 39 52.405 -7.813 4.412 1.00 0.00 H new ATOM 0 HA SER A 39 53.288 -10.664 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.433 -9.931 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 39 54.518 -8.547 5.287 1.00 0.00 H new ATOM 0 HG SER A 39 53.078 -7.465 6.499 1.00 0.00 H new ATOM 624 N GLY A 40 51.940 -11.244 6.682 1.00 0.00 N ATOM 625 CA GLY A 40 50.846 -11.853 7.493 1.00 0.00 C ATOM 626 C GLY A 40 51.128 -11.623 8.978 1.00 0.00 C ATOM 627 O GLY A 40 50.813 -12.451 9.812 1.00 0.00 O ATOM 0 H GLY A 40 52.884 -11.511 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.887 -11.412 7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 40 50.776 -12.921 7.286 1.00 0.00 H new ATOM 631 N CYS A 41 51.725 -10.507 9.310 1.00 0.00 N ATOM 632 CA CYS A 41 52.038 -10.217 10.742 1.00 0.00 C ATOM 633 C CYS A 41 52.179 -8.706 10.968 1.00 0.00 C ATOM 634 O CYS A 41 52.905 -8.030 10.265 1.00 0.00 O ATOM 635 CB CYS A 41 53.367 -10.937 11.018 1.00 0.00 C ATOM 636 SG CYS A 41 54.658 -10.336 9.892 1.00 0.00 S ATOM 0 H CYS A 41 52.010 -9.783 8.650 1.00 0.00 H new ATOM 0 HA CYS A 41 51.247 -10.558 11.410 1.00 0.00 H new ATOM 0 HB2 CYS A 41 53.670 -10.770 12.052 1.00 0.00 H new ATOM 0 HB3 CYS A 41 53.238 -12.012 10.893 1.00 0.00 H new ATOM 641 N GLY A 42 51.489 -8.176 11.948 1.00 0.00 N ATOM 642 CA GLY A 42 51.575 -6.710 12.235 1.00 0.00 C ATOM 643 C GLY A 42 51.169 -5.908 10.995 1.00 0.00 C ATOM 644 O GLY A 42 50.023 -5.924 10.582 1.00 0.00 O ATOM 0 H GLY A 42 50.867 -8.699 12.565 1.00 0.00 H new ATOM 0 HA2 GLY A 42 50.924 -6.456 13.071 1.00 0.00 H new ATOM 0 HA3 GLY A 42 52.591 -6.448 12.531 1.00 0.00 H new ATOM 648 N GLY A 43 52.101 -5.208 10.400 1.00 0.00 N ATOM 649 CA GLY A 43 51.782 -4.401 9.185 1.00 0.00 C ATOM 650 C GLY A 43 50.939 -3.188 9.585 1.00 0.00 C ATOM 651 O GLY A 43 50.567 -3.030 10.732 1.00 0.00 O ATOM 0 H GLY A 43 53.073 -5.161 10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.702 -4.074 8.701 1.00 0.00 H new ATOM 0 HA3 GLY A 43 51.241 -5.011 8.462 1.00 0.00 H new ATOM 655 N ASN A 44 50.635 -2.332 8.642 1.00 0.00 N ATOM 656 CA ASN A 44 49.813 -1.123 8.954 1.00 0.00 C ATOM 657 C ASN A 44 48.324 -1.490 8.960 1.00 0.00 C ATOM 658 O ASN A 44 47.968 -2.653 8.927 1.00 0.00 O ATOM 659 CB ASN A 44 50.125 -0.134 7.831 1.00 0.00 C ATOM 660 CG ASN A 44 49.993 1.298 8.355 1.00 0.00 C ATOM 661 OD1 ASN A 44 48.932 1.884 8.291 1.00 0.00 O ATOM 662 ND2 ASN A 44 51.035 1.887 8.875 1.00 0.00 N ATOM 0 H ASN A 44 50.921 -2.419 7.667 1.00 0.00 H new ATOM 0 HA ASN A 44 50.039 -0.704 9.935 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.134 -0.302 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.443 -0.290 6.995 1.00 0.00 H new ATOM 0 HD21 ASN A 44 50.958 2.841 9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 44 51.926 1.394 8.928 1.00 0.00 H new ATOM 669 N GLU A 45 47.455 -0.509 9.007 1.00 0.00 N ATOM 670 CA GLU A 45 45.989 -0.806 9.021 1.00 0.00 C ATOM 671 C GLU A 45 45.302 -0.233 7.776 1.00 0.00 C ATOM 672 O GLU A 45 44.107 0.000 7.776 1.00 0.00 O ATOM 673 CB GLU A 45 45.460 -0.119 10.281 1.00 0.00 C ATOM 674 CG GLU A 45 45.732 -1.003 11.501 1.00 0.00 C ATOM 675 CD GLU A 45 44.784 -2.204 11.484 1.00 0.00 C ATOM 676 OE1 GLU A 45 45.119 -3.190 10.848 1.00 0.00 O ATOM 677 OE2 GLU A 45 43.739 -2.117 12.108 1.00 0.00 O ATOM 0 H GLU A 45 47.697 0.481 9.036 1.00 0.00 H new ATOM 0 HA GLU A 45 45.794 -1.878 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 45 45.941 0.851 10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 45 44.390 0.066 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 45 46.767 -1.344 11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 45 45.592 -0.429 12.417 1.00 0.00 H new ATOM 684 N ASN A 46 46.042 -0.008 6.716 1.00 0.00 N ATOM 685 CA ASN A 46 45.419 0.543 5.475 1.00 0.00 C ATOM 686 C ASN A 46 45.408 -0.524 4.373 1.00 0.00 C ATOM 687 O ASN A 46 45.510 -0.219 3.199 1.00 0.00 O ATOM 688 CB ASN A 46 46.293 1.747 5.083 1.00 0.00 C ATOM 689 CG ASN A 46 47.699 1.285 4.677 1.00 0.00 C ATOM 690 OD1 ASN A 46 48.234 0.356 5.246 1.00 0.00 O ATOM 691 ND2 ASN A 46 48.315 1.898 3.705 1.00 0.00 N ATOM 0 H ASN A 46 47.045 -0.182 6.658 1.00 0.00 H new ATOM 0 HA ASN A 46 44.382 0.842 5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 46 45.829 2.286 4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 46 46.360 2.442 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 46 49.248 1.597 3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.864 2.679 3.228 1.00 0.00 H new ATOM 698 N ASN A 47 45.290 -1.772 4.750 1.00 0.00 N ATOM 699 CA ASN A 47 45.278 -2.868 3.737 1.00 0.00 C ATOM 700 C ASN A 47 43.877 -3.023 3.141 1.00 0.00 C ATOM 701 O ASN A 47 42.976 -3.536 3.777 1.00 0.00 O ATOM 702 CB ASN A 47 45.677 -4.126 4.510 1.00 0.00 C ATOM 703 CG ASN A 47 47.203 -4.229 4.563 1.00 0.00 C ATOM 704 OD1 ASN A 47 47.776 -5.181 4.069 1.00 0.00 O ATOM 705 ND2 ASN A 47 47.890 -3.284 5.143 1.00 0.00 N ATOM 0 H ASN A 47 45.201 -2.079 5.719 1.00 0.00 H new ATOM 0 HA ASN A 47 45.954 -2.670 2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.269 -4.090 5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.259 -5.010 4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 47 48.908 -3.344 5.182 1.00 0.00 H new ATOM 0 HD22 ASN A 47 47.410 -2.485 5.557 1.00 0.00 H new ATOM 712 N PHE A 48 43.691 -2.585 1.922 1.00 0.00 N ATOM 713 CA PHE A 48 42.353 -2.703 1.271 1.00 0.00 C ATOM 714 C PHE A 48 42.248 -4.036 0.524 1.00 0.00 C ATOM 715 O PHE A 48 43.053 -4.342 -0.335 1.00 0.00 O ATOM 716 CB PHE A 48 42.282 -1.529 0.295 1.00 0.00 C ATOM 717 CG PHE A 48 42.235 -0.235 1.073 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.117 0.066 1.860 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.308 0.662 1.008 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.073 1.263 2.584 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.263 1.860 1.731 1.00 0.00 C ATOM 722 CZ PHE A 48 42.146 2.161 2.519 1.00 0.00 C ATOM 0 H PHE A 48 44.412 -2.149 1.348 1.00 0.00 H new ATOM 0 HA PHE A 48 41.536 -2.679 1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.149 -1.538 -0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.398 -1.619 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.289 -0.625 1.908 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.170 0.430 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.212 1.494 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.090 2.552 1.681 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.111 3.085 3.077 1.00 0.00 H new ATOM 732 N THR A 49 41.264 -4.831 0.856 1.00 0.00 N ATOM 733 CA THR A 49 41.098 -6.155 0.178 1.00 0.00 C ATOM 734 C THR A 49 40.724 -5.971 -1.300 1.00 0.00 C ATOM 735 O THR A 49 40.919 -6.861 -2.107 1.00 0.00 O ATOM 736 CB THR A 49 39.970 -6.863 0.940 1.00 0.00 C ATOM 737 OG1 THR A 49 39.746 -8.143 0.364 1.00 0.00 O ATOM 738 CG2 THR A 49 38.682 -6.037 0.866 1.00 0.00 C ATOM 0 H THR A 49 40.566 -4.621 1.569 1.00 0.00 H new ATOM 0 HA THR A 49 42.022 -6.733 0.192 1.00 0.00 H new ATOM 0 HB THR A 49 40.260 -6.973 1.985 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.027 -8.599 0.849 1.00 0.00 H new ATOM 0 HG21 THR A 49 37.889 -6.550 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 49 38.852 -5.057 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.387 -5.916 -0.176 1.00 0.00 H new ATOM 746 N SER A 50 40.183 -4.831 -1.659 1.00 0.00 N ATOM 747 CA SER A 50 39.793 -4.602 -3.084 1.00 0.00 C ATOM 748 C SER A 50 40.062 -3.151 -3.492 1.00 0.00 C ATOM 749 O SER A 50 40.702 -2.402 -2.777 1.00 0.00 O ATOM 750 CB SER A 50 38.294 -4.896 -3.131 1.00 0.00 C ATOM 751 OG SER A 50 37.594 -3.870 -2.441 1.00 0.00 O ATOM 0 H SER A 50 39.996 -4.052 -1.028 1.00 0.00 H new ATOM 0 HA SER A 50 40.361 -5.231 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.955 -4.952 -4.165 1.00 0.00 H new ATOM 0 HB3 SER A 50 38.087 -5.864 -2.675 1.00 0.00 H new ATOM 0 HG SER A 50 36.632 -4.054 -2.470 1.00 0.00 H new ATOM 757 N LYS A 51 39.575 -2.753 -4.641 1.00 0.00 N ATOM 758 CA LYS A 51 39.791 -1.353 -5.113 1.00 0.00 C ATOM 759 C LYS A 51 38.605 -0.472 -4.711 1.00 0.00 C ATOM 760 O LYS A 51 38.763 0.698 -4.413 1.00 0.00 O ATOM 761 CB LYS A 51 39.889 -1.459 -6.636 1.00 0.00 C ATOM 762 CG LYS A 51 40.268 -0.097 -7.220 1.00 0.00 C ATOM 763 CD LYS A 51 39.670 0.044 -8.621 1.00 0.00 C ATOM 764 CE LYS A 51 40.342 -0.953 -9.568 1.00 0.00 C ATOM 765 NZ LYS A 51 39.388 -1.111 -10.702 1.00 0.00 N ATOM 0 H LYS A 51 39.034 -3.342 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 51 40.683 -0.903 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.635 -2.205 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.937 -1.792 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.901 0.701 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.353 0.002 -7.265 1.00 0.00 H new ATOM 0 HD2 LYS A 51 38.596 -0.137 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.811 1.061 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 51 41.307 -0.581 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 51 40.527 -1.906 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 39.780 -1.781 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 38.481 -1.473 -10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 39.237 -0.189 -11.160 1.00 0.00 H new ATOM 779 N GLN A 52 37.419 -1.028 -4.699 1.00 0.00 N ATOM 780 CA GLN A 52 36.213 -0.229 -4.314 1.00 0.00 C ATOM 781 C GLN A 52 36.371 0.316 -2.891 1.00 0.00 C ATOM 782 O GLN A 52 35.917 1.400 -2.578 1.00 0.00 O ATOM 783 CB GLN A 52 35.039 -1.209 -4.379 1.00 0.00 C ATOM 784 CG GLN A 52 34.570 -1.353 -5.829 1.00 0.00 C ATOM 785 CD GLN A 52 33.812 -0.092 -6.248 1.00 0.00 C ATOM 786 OE1 GLN A 52 32.805 0.250 -5.661 1.00 0.00 O ATOM 787 NE2 GLN A 52 34.256 0.620 -7.249 1.00 0.00 N ATOM 0 H GLN A 52 37.233 -2.002 -4.939 1.00 0.00 H new ATOM 0 HA GLN A 52 36.065 0.627 -4.972 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.340 -2.180 -3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.220 -0.853 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 52 35.426 -1.510 -6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.926 -2.227 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 52 35.101 0.334 -7.743 1.00 0.00 H new ATOM 0 HE22 GLN A 52 33.757 1.462 -7.537 1.00 0.00 H new ATOM 796 N GLU A 53 37.015 -0.433 -2.032 1.00 0.00 N ATOM 797 CA GLU A 53 37.211 0.031 -0.628 1.00 0.00 C ATOM 798 C GLU A 53 38.410 0.976 -0.553 1.00 0.00 C ATOM 799 O GLU A 53 38.430 1.906 0.229 1.00 0.00 O ATOM 800 CB GLU A 53 37.479 -1.239 0.179 1.00 0.00 C ATOM 801 CG GLU A 53 37.227 -0.964 1.660 1.00 0.00 C ATOM 802 CD GLU A 53 37.756 -2.130 2.496 1.00 0.00 C ATOM 803 OE1 GLU A 53 38.942 -2.402 2.414 1.00 0.00 O ATOM 804 OE2 GLU A 53 36.966 -2.734 3.203 1.00 0.00 O ATOM 0 H GLU A 53 37.414 -1.347 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 53 36.347 0.577 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.833 -2.046 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.507 -1.568 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.719 -0.038 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.160 -0.830 1.839 1.00 0.00 H new ATOM 811 N CYS A 54 39.408 0.743 -1.366 1.00 0.00 N ATOM 812 CA CYS A 54 40.616 1.625 -1.353 1.00 0.00 C ATOM 813 C CYS A 54 40.243 3.037 -1.811 1.00 0.00 C ATOM 814 O CYS A 54 40.601 4.017 -1.185 1.00 0.00 O ATOM 815 CB CYS A 54 41.592 0.985 -2.340 1.00 0.00 C ATOM 816 SG CYS A 54 43.201 1.797 -2.208 1.00 0.00 S ATOM 0 H CYS A 54 39.439 -0.022 -2.040 1.00 0.00 H new ATOM 0 HA CYS A 54 41.048 1.715 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.692 -0.080 -2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.209 1.075 -3.357 1.00 0.00 H new ATOM 821 N LEU A 55 39.526 3.141 -2.899 1.00 0.00 N ATOM 822 CA LEU A 55 39.122 4.484 -3.411 1.00 0.00 C ATOM 823 C LEU A 55 38.051 5.090 -2.502 1.00 0.00 C ATOM 824 O LEU A 55 38.155 6.221 -2.072 1.00 0.00 O ATOM 825 CB LEU A 55 38.550 4.226 -4.813 1.00 0.00 C ATOM 826 CG LEU A 55 39.596 4.548 -5.893 1.00 0.00 C ATOM 827 CD1 LEU A 55 40.007 6.021 -5.802 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.831 3.661 -5.701 1.00 0.00 C ATOM 0 H LEU A 55 39.202 2.351 -3.457 1.00 0.00 H new ATOM 0 HA LEU A 55 39.957 5.184 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.240 3.185 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.661 4.837 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 55 39.161 4.356 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 55 40.748 6.240 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 55 39.132 6.653 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 55 40.434 6.219 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.569 3.893 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 41.262 3.845 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.542 2.613 -5.781 1.00 0.00 H new ATOM 840 N ARG A 56 37.025 4.338 -2.204 1.00 0.00 N ATOM 841 CA ARG A 56 35.935 4.859 -1.322 1.00 0.00 C ATOM 842 C ARG A 56 36.465 5.169 0.088 1.00 0.00 C ATOM 843 O ARG A 56 35.796 5.823 0.867 1.00 0.00 O ATOM 844 CB ARG A 56 34.886 3.742 -1.280 1.00 0.00 C ATOM 845 CG ARG A 56 33.687 4.185 -0.433 1.00 0.00 C ATOM 846 CD ARG A 56 32.660 3.048 -0.346 1.00 0.00 C ATOM 847 NE ARG A 56 31.512 3.494 -1.182 1.00 0.00 N ATOM 848 CZ ARG A 56 30.307 3.061 -0.928 1.00 0.00 C ATOM 849 NH1 ARG A 56 29.678 3.472 0.140 1.00 0.00 N ATOM 850 NH2 ARG A 56 29.730 2.216 -1.739 1.00 0.00 N ATOM 0 H ARG A 56 36.893 3.382 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 56 35.520 5.793 -1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.559 3.500 -2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.323 2.836 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 56 34.020 4.463 0.567 1.00 0.00 H new ATOM 0 HG3 ARG A 56 33.227 5.070 -0.873 1.00 0.00 H new ATOM 0 HD2 ARG A 56 33.077 2.112 -0.717 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.352 2.874 0.685 1.00 0.00 H new ATOM 0 HE ARG A 56 31.667 4.140 -1.956 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.128 4.131 0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 56 28.736 3.134 0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 56 30.221 1.893 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 56 28.788 1.879 -1.539 1.00 0.00 H new ATOM 864 N ALA A 57 37.648 4.706 0.427 1.00 0.00 N ATOM 865 CA ALA A 57 38.195 4.981 1.791 1.00 0.00 C ATOM 866 C ALA A 57 39.078 6.237 1.794 1.00 0.00 C ATOM 867 O ALA A 57 38.771 7.211 2.458 1.00 0.00 O ATOM 868 CB ALA A 57 39.021 3.748 2.147 1.00 0.00 C ATOM 0 H ALA A 57 38.253 4.153 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 57 37.397 5.166 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.456 3.875 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.380 2.867 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.818 3.620 1.414 1.00 0.00 H new ATOM 874 N CYS A 58 40.177 6.224 1.070 1.00 0.00 N ATOM 875 CA CYS A 58 41.076 7.421 1.060 1.00 0.00 C ATOM 876 C CYS A 58 40.521 8.513 0.138 1.00 0.00 C ATOM 877 O CYS A 58 40.485 9.673 0.505 1.00 0.00 O ATOM 878 CB CYS A 58 42.440 6.919 0.572 1.00 0.00 C ATOM 879 SG CYS A 58 43.738 8.061 1.129 1.00 0.00 S ATOM 0 H CYS A 58 40.486 5.443 0.492 1.00 0.00 H new ATOM 0 HA CYS A 58 41.155 7.871 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.631 5.918 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.446 6.847 -0.516 1.00 0.00 H new ATOM 884 N LYS A 59 40.077 8.160 -1.047 1.00 0.00 N ATOM 885 CA LYS A 59 39.514 9.199 -1.969 1.00 0.00 C ATOM 886 C LYS A 59 38.269 9.822 -1.328 1.00 0.00 C ATOM 887 O LYS A 59 38.042 11.012 -1.418 1.00 0.00 O ATOM 888 CB LYS A 59 39.150 8.462 -3.262 1.00 0.00 C ATOM 889 CG LYS A 59 39.328 9.407 -4.456 1.00 0.00 C ATOM 890 CD LYS A 59 38.351 10.582 -4.335 1.00 0.00 C ATOM 891 CE LYS A 59 38.089 11.180 -5.720 1.00 0.00 C ATOM 892 NZ LYS A 59 39.354 11.876 -6.090 1.00 0.00 N ATOM 0 H LYS A 59 40.080 7.208 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 59 40.221 10.004 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 59 39.783 7.583 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.120 8.109 -3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 59 40.353 9.776 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 59 39.151 8.869 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 59 37.415 10.245 -3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 59 38.762 11.343 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 59 37.840 10.404 -6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 59 37.249 11.875 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 39.177 12.514 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 39.697 12.427 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 40.071 11.173 -6.359 1.00 0.00 H new ATOM 906 N LYS A 60 37.471 9.018 -0.665 1.00 0.00 N ATOM 907 CA LYS A 60 36.240 9.535 0.016 1.00 0.00 C ATOM 908 C LYS A 60 35.419 10.452 -0.903 1.00 0.00 C ATOM 909 O LYS A 60 35.451 11.662 -0.774 1.00 0.00 O ATOM 910 CB LYS A 60 36.763 10.315 1.224 1.00 0.00 C ATOM 911 CG LYS A 60 35.794 10.146 2.395 1.00 0.00 C ATOM 912 CD LYS A 60 36.051 11.238 3.436 1.00 0.00 C ATOM 913 CE LYS A 60 34.782 11.468 4.260 1.00 0.00 C ATOM 914 NZ LYS A 60 34.906 12.859 4.781 1.00 0.00 N ATOM 0 H LYS A 60 37.622 8.014 -0.566 1.00 0.00 H new ATOM 0 HA LYS A 60 35.570 8.723 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 60 37.754 9.955 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 60 36.866 11.371 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 60 34.765 10.203 2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 60 35.921 9.162 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 60 36.873 10.946 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 60 36.349 12.163 2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 60 33.888 11.355 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 60 34.704 10.747 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 34.071 13.090 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 35.762 12.935 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 34.971 13.524 3.984 1.00 0.00 H new ATOM 928 N GLY A 61 34.679 9.882 -1.819 1.00 0.00 N ATOM 929 CA GLY A 61 33.847 10.712 -2.738 1.00 0.00 C ATOM 930 C GLY A 61 34.478 10.737 -4.133 1.00 0.00 C ATOM 931 O GLY A 61 34.508 9.695 -4.766 1.00 0.00 O ATOM 932 OXT GLY A 61 34.916 11.799 -4.543 1.00 0.00 O ATOM 0 H GLY A 61 34.616 8.875 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 61 32.837 10.307 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 61 33.762 11.727 -2.349 1.00 0.00 H new TER 936 GLY A 61