USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 424 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 32 CYS SG : rot -156:sc= 0.203 USER MOD Set 1.2: A 35 CYS SG : rot -97:sc= -0.0985 USER MOD Set 1.3: A 54 CYS SG : rot 152:sc= 0.477 USER MOD Set 1.4: A 57 CYS SG : rot -49:sc= 0.452 USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0.66 (180deg=0.645) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 84:sc= 1.03 USER MOD Single : A 9 GLN : amide:sc= -1.22 K(o=-1.2,f=-1.8) USER MOD Single : A 11 HIS : no HD1:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.5!) USER MOD Single : A 15 CYS SG : rot -170:sc= 0.0285 USER MOD Single : A 17 SER OG : rot -159:sc= -0.459 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.189 K(o=-0.19,f=-2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 1.04 (180deg=1.03) USER MOD Single : A 37 GLN : amide:sc= -2.75 K(o=-2.8,f=-6!) USER MOD Single : A 40 SER OG : rot -160:sc= -0.0107 USER MOD Single : A 42 CYS SG : rot -160:sc= -1.35 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00685 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot -88:sc= -0.0988 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00226) USER MOD Single : A 48 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.29) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -167:sc= -0.0211 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.176 22.211 5.122 1.00 74.44 N ATOM 2 CA GLY A 1 3.245 21.746 3.748 1.00 3.43 C ATOM 3 C GLY A 1 4.468 20.890 3.487 1.00 21.53 C ATOM 4 O GLY A 1 5.263 21.186 2.596 1.00 23.01 O ATOM 0 H1 GLY A 1 2.289 22.734 5.267 1.00 74.44 H new ATOM 0 H2 GLY A 1 3.206 21.395 5.766 1.00 74.44 H new ATOM 0 H3 GLY A 1 3.983 22.837 5.318 1.00 74.44 H new ATOM 0 HA2 GLY A 1 2.348 21.172 3.516 1.00 3.43 H new ATOM 0 HA3 GLY A 1 3.256 22.605 3.077 1.00 3.43 H new ATOM 8 N ALA A 2 4.620 19.825 4.268 1.00 60.53 N ATOM 9 CA ALA A 2 5.755 18.922 4.116 1.00 15.01 C ATOM 10 C ALA A 2 5.492 17.888 3.027 1.00 73.13 C ATOM 11 O ALA A 2 4.617 17.034 3.167 1.00 54.14 O ATOM 12 CB ALA A 2 6.061 18.233 5.438 1.00 40.04 C ATOM 0 H ALA A 2 3.972 19.567 5.012 1.00 60.53 H new ATOM 0 HA ALA A 2 6.621 19.513 3.817 1.00 15.01 H new ATOM 0 HB1 ALA A 2 6.910 17.562 5.310 1.00 40.04 H new ATOM 0 HB2 ALA A 2 6.301 18.983 6.192 1.00 40.04 H new ATOM 0 HB3 ALA A 2 5.191 17.660 5.760 1.00 40.04 H new ATOM 18 N MET A 3 6.255 17.971 1.942 1.00 54.44 N ATOM 19 CA MET A 3 6.104 17.042 0.828 1.00 35.33 C ATOM 20 C MET A 3 6.375 15.609 1.276 1.00 34.11 C ATOM 21 O MET A 3 7.225 15.366 2.131 1.00 32.05 O ATOM 22 CB MET A 3 7.051 17.420 -0.312 1.00 73.20 C ATOM 23 CG MET A 3 6.868 18.846 -0.806 1.00 72.44 C ATOM 24 SD MET A 3 5.261 19.112 -1.579 1.00 73.25 S ATOM 25 CE MET A 3 5.533 20.684 -2.393 1.00 14.33 C ATOM 0 H MET A 3 6.984 18.672 1.811 1.00 54.44 H new ATOM 0 HA MET A 3 5.076 17.105 0.472 1.00 35.33 H new ATOM 0 HB2 MET A 3 8.080 17.289 0.023 1.00 73.20 H new ATOM 0 HB3 MET A 3 6.897 16.733 -1.144 1.00 73.20 H new ATOM 0 HG2 MET A 3 6.982 19.534 0.032 1.00 72.44 H new ATOM 0 HG3 MET A 3 7.655 19.082 -1.522 1.00 72.44 H new ATOM 0 HE1 MET A 3 4.626 20.984 -2.917 1.00 14.33 H new ATOM 0 HE2 MET A 3 5.789 21.439 -1.650 1.00 14.33 H new ATOM 0 HE3 MET A 3 6.350 20.587 -3.108 1.00 14.33 H new ATOM 35 N GLY A 4 5.645 14.663 0.692 1.00 64.21 N ATOM 36 CA GLY A 4 5.822 13.266 1.044 1.00 3.25 C ATOM 37 C GLY A 4 5.365 12.962 2.457 1.00 1.54 C ATOM 38 O GLY A 4 5.997 13.384 3.426 1.00 64.22 O ATOM 0 H GLY A 4 4.935 14.839 -0.018 1.00 64.21 H new ATOM 0 HA2 GLY A 4 5.264 12.644 0.343 1.00 3.25 H new ATOM 0 HA3 GLY A 4 6.874 12.999 0.940 1.00 3.25 H new ATOM 42 N SER A 5 4.262 12.230 2.576 1.00 0.33 N ATOM 43 CA SER A 5 3.717 11.875 3.881 1.00 3.35 C ATOM 44 C SER A 5 4.398 10.626 4.433 1.00 42.31 C ATOM 45 O SER A 5 4.729 10.559 5.616 1.00 22.30 O ATOM 46 CB SER A 5 2.208 11.645 3.782 1.00 10.43 C ATOM 47 OG SER A 5 1.619 12.525 2.840 1.00 11.24 O ATOM 0 H SER A 5 3.728 11.871 1.784 1.00 0.33 H new ATOM 0 HA SER A 5 3.907 12.703 4.564 1.00 3.35 H new ATOM 0 HB2 SER A 5 2.013 10.613 3.492 1.00 10.43 H new ATOM 0 HB3 SER A 5 1.749 11.794 4.760 1.00 10.43 H new ATOM 0 HG SER A 5 0.655 12.357 2.794 1.00 11.24 H new ATOM 53 N GLU A 6 4.604 9.640 3.565 1.00 15.05 N ATOM 54 CA GLU A 6 5.244 8.393 3.966 1.00 61.34 C ATOM 55 C GLU A 6 6.709 8.624 4.325 1.00 10.31 C ATOM 56 O GLU A 6 7.235 8.015 5.256 1.00 34.34 O ATOM 57 CB GLU A 6 5.140 7.357 2.844 1.00 44.42 C ATOM 58 CG GLU A 6 5.751 7.819 1.531 1.00 10.02 C ATOM 59 CD GLU A 6 7.188 7.364 1.364 1.00 33.21 C ATOM 60 OE1 GLU A 6 7.495 6.217 1.751 1.00 33.31 O ATOM 61 OE2 GLU A 6 8.005 8.154 0.847 1.00 33.01 O ATOM 0 H GLU A 6 4.337 9.681 2.581 1.00 15.05 H new ATOM 0 HA GLU A 6 4.727 8.016 4.848 1.00 61.34 H new ATOM 0 HB2 GLU A 6 5.634 6.439 3.162 1.00 44.42 H new ATOM 0 HB3 GLU A 6 4.090 7.114 2.681 1.00 44.42 H new ATOM 0 HG2 GLU A 6 5.154 7.437 0.703 1.00 10.02 H new ATOM 0 HG3 GLU A 6 5.710 8.907 1.478 1.00 10.02 H new ATOM 68 N SER A 7 7.362 9.509 3.579 1.00 45.20 N ATOM 69 CA SER A 7 8.768 9.819 3.815 1.00 33.22 C ATOM 70 C SER A 7 8.912 10.936 4.845 1.00 63.34 C ATOM 71 O SER A 7 9.799 10.897 5.697 1.00 43.25 O ATOM 72 CB SER A 7 9.449 10.224 2.507 1.00 44.20 C ATOM 73 OG SER A 7 10.248 9.169 2.000 1.00 41.21 O ATOM 0 H SER A 7 6.941 10.024 2.806 1.00 45.20 H new ATOM 0 HA SER A 7 9.252 8.924 4.206 1.00 33.22 H new ATOM 0 HB2 SER A 7 8.694 10.499 1.770 1.00 44.20 H new ATOM 0 HB3 SER A 7 10.068 11.106 2.673 1.00 44.20 H new ATOM 0 HG SER A 7 9.688 8.555 1.481 1.00 41.21 H new ATOM 79 N GLU A 8 8.033 11.929 4.758 1.00 45.32 N ATOM 80 CA GLU A 8 8.064 13.058 5.681 1.00 73.31 C ATOM 81 C GLU A 8 9.324 13.894 5.477 1.00 31.22 C ATOM 82 O GLU A 8 10.413 13.355 5.285 1.00 25.11 O ATOM 83 CB GLU A 8 7.995 12.564 7.127 1.00 35.25 C ATOM 84 CG GLU A 8 6.955 11.478 7.351 1.00 12.50 C ATOM 85 CD GLU A 8 6.991 10.917 8.759 1.00 12.32 C ATOM 86 OE1 GLU A 8 6.504 9.785 8.958 1.00 33.44 O ATOM 87 OE2 GLU A 8 7.505 11.610 9.662 1.00 43.13 O ATOM 0 H GLU A 8 7.292 11.975 4.059 1.00 45.32 H new ATOM 0 HA GLU A 8 7.196 13.685 5.477 1.00 73.31 H new ATOM 0 HB2 GLU A 8 8.974 12.184 7.419 1.00 35.25 H new ATOM 0 HB3 GLU A 8 7.773 13.408 7.780 1.00 35.25 H new ATOM 0 HG2 GLU A 8 5.963 11.883 7.151 1.00 12.50 H new ATOM 0 HG3 GLU A 8 7.119 10.670 6.638 1.00 12.50 H new ATOM 94 N GLN A 9 9.165 15.213 5.520 1.00 23.31 N ATOM 95 CA GLN A 9 10.290 16.123 5.339 1.00 53.11 C ATOM 96 C GLN A 9 10.072 17.418 6.114 1.00 53.40 C ATOM 97 O GLN A 9 9.123 18.158 5.852 1.00 34.52 O ATOM 98 CB GLN A 9 10.490 16.431 3.854 1.00 72.10 C ATOM 99 CG GLN A 9 10.810 15.204 3.016 1.00 24.31 C ATOM 100 CD GLN A 9 12.122 14.554 3.411 1.00 40.02 C ATOM 101 OE1 GLN A 9 13.033 15.219 3.905 1.00 63.40 O ATOM 102 NE2 GLN A 9 12.225 13.248 3.194 1.00 33.14 N ATOM 0 H GLN A 9 8.269 15.675 5.678 1.00 23.31 H new ATOM 0 HA GLN A 9 11.185 15.636 5.726 1.00 53.11 H new ATOM 0 HB2 GLN A 9 9.587 16.902 3.464 1.00 72.10 H new ATOM 0 HB3 GLN A 9 11.298 17.155 3.747 1.00 72.10 H new ATOM 0 HG2 GLN A 9 10.004 14.478 3.119 1.00 24.31 H new ATOM 0 HG3 GLN A 9 10.851 15.488 1.964 1.00 24.31 H new ATOM 0 HE21 GLN A 9 11.445 12.736 2.782 1.00 33.14 H new ATOM 0 HE22 GLN A 9 13.085 12.757 3.439 1.00 33.14 H new ATOM 111 N ARG A 10 10.956 17.687 7.069 1.00 62.21 N ATOM 112 CA ARG A 10 10.859 18.892 7.883 1.00 3.22 C ATOM 113 C ARG A 10 12.109 19.754 7.729 1.00 53.40 C ATOM 114 O ARG A 10 12.967 19.479 6.890 1.00 75.44 O ATOM 115 CB ARG A 10 10.659 18.525 9.355 1.00 73.44 C ATOM 116 CG ARG A 10 9.573 17.486 9.580 1.00 34.52 C ATOM 117 CD ARG A 10 8.240 17.938 9.003 1.00 23.04 C ATOM 118 NE ARG A 10 7.114 17.229 9.605 1.00 2.13 N ATOM 119 CZ ARG A 10 6.652 17.484 10.824 1.00 11.51 C ATOM 120 NH1 ARG A 10 7.216 18.427 11.567 1.00 53.24 N ATOM 121 NH2 ARG A 10 5.623 16.796 11.302 1.00 10.54 N ATOM 0 H ARG A 10 11.748 17.086 7.298 1.00 62.21 H new ATOM 0 HA ARG A 10 9.998 19.464 7.538 1.00 3.22 H new ATOM 0 HB2 ARG A 10 11.599 18.149 9.758 1.00 73.44 H new ATOM 0 HB3 ARG A 10 10.410 19.426 9.915 1.00 73.44 H new ATOM 0 HG2 ARG A 10 9.869 16.543 9.120 1.00 34.52 H new ATOM 0 HG3 ARG A 10 9.463 17.298 10.648 1.00 34.52 H new ATOM 0 HD2 ARG A 10 8.121 19.010 9.163 1.00 23.04 H new ATOM 0 HD3 ARG A 10 8.237 17.774 7.925 1.00 23.04 H new ATOM 0 HE ARG A 10 6.657 16.498 9.060 1.00 2.13 H new ATOM 0 HH11 ARG A 10 8.007 18.959 11.203 1.00 53.24 H new ATOM 0 HH12 ARG A 10 6.859 18.621 12.503 1.00 53.24 H new ATOM 0 HH21 ARG A 10 5.186 16.071 10.733 1.00 10.54 H new ATOM 0 HH22 ARG A 10 5.269 16.992 12.238 1.00 10.54 H new ATOM 135 N HIS A 11 12.204 20.800 8.544 1.00 24.13 N ATOM 136 CA HIS A 11 13.349 21.703 8.499 1.00 60.14 C ATOM 137 C HIS A 11 13.514 22.301 7.105 1.00 62.54 C ATOM 138 O HIS A 11 14.575 22.185 6.491 1.00 75.31 O ATOM 139 CB HIS A 11 14.625 20.964 8.904 1.00 72.01 C ATOM 140 CG HIS A 11 14.668 20.595 10.355 1.00 71.12 C ATOM 141 ND1 HIS A 11 15.803 20.713 11.128 1.00 5.40 N ATOM 142 CD2 HIS A 11 13.706 20.109 11.174 1.00 51.13 C ATOM 143 CE1 HIS A 11 15.539 20.315 12.359 1.00 34.23 C ATOM 144 NE2 HIS A 11 14.272 19.943 12.414 1.00 42.43 N ATOM 0 H HIS A 11 11.502 21.043 9.243 1.00 24.13 H new ATOM 0 HA HIS A 11 13.169 22.514 9.205 1.00 60.14 H new ATOM 0 HB2 HIS A 11 14.717 20.058 8.304 1.00 72.01 H new ATOM 0 HB3 HIS A 11 15.487 21.589 8.671 1.00 72.01 H new ATOM 0 HD2 HIS A 11 12.683 19.892 10.903 1.00 51.13 H new ATOM 0 HE1 HIS A 11 16.239 20.297 13.181 1.00 34.23 H new ATOM 0 HE2 HIS A 11 13.793 19.590 13.242 1.00 42.43 H new ATOM 152 N ALA A 12 12.458 22.939 6.611 1.00 63.23 N ATOM 153 CA ALA A 12 12.487 23.555 5.290 1.00 1.32 C ATOM 154 C ALA A 12 11.415 24.633 5.164 1.00 65.21 C ATOM 155 O ALA A 12 10.232 24.330 5.010 1.00 53.24 O ATOM 156 CB ALA A 12 12.306 22.499 4.210 1.00 31.25 C ATOM 0 H ALA A 12 11.572 23.043 7.106 1.00 63.23 H new ATOM 0 HA ALA A 12 13.460 24.029 5.159 1.00 1.32 H new ATOM 0 HB1 ALA A 12 12.330 22.974 3.229 1.00 31.25 H new ATOM 0 HB2 ALA A 12 13.111 21.767 4.278 1.00 31.25 H new ATOM 0 HB3 ALA A 12 11.348 21.998 4.348 1.00 31.25 H new ATOM 162 N HIS A 13 11.838 25.892 5.231 1.00 35.51 N ATOM 163 CA HIS A 13 10.913 27.015 5.124 1.00 31.42 C ATOM 164 C HIS A 13 11.304 27.933 3.970 1.00 24.32 C ATOM 165 O HIS A 13 12.284 28.673 4.059 1.00 33.42 O ATOM 166 CB HIS A 13 10.884 27.805 6.433 1.00 71.12 C ATOM 167 CG HIS A 13 10.768 26.942 7.651 1.00 21.23 C ATOM 168 ND1 HIS A 13 9.568 26.686 8.281 1.00 4.22 N ATOM 169 CD2 HIS A 13 11.711 26.272 8.355 1.00 51.41 C ATOM 170 CE1 HIS A 13 9.778 25.898 9.321 1.00 45.34 C ATOM 171 NE2 HIS A 13 11.070 25.632 9.387 1.00 5.13 N ATOM 0 H HIS A 13 12.814 26.160 5.359 1.00 35.51 H new ATOM 0 HA HIS A 13 9.918 26.617 4.927 1.00 31.42 H new ATOM 0 HB2 HIS A 13 11.792 28.403 6.507 1.00 71.12 H new ATOM 0 HB3 HIS A 13 10.045 28.501 6.409 1.00 71.12 H new ATOM 0 HD2 HIS A 13 12.770 26.246 8.144 1.00 51.41 H new ATOM 0 HE1 HIS A 13 9.022 25.534 10.001 1.00 45.34 H new ATOM 0 HE2 HIS A 13 11.519 25.046 10.091 1.00 5.13 H new ATOM 179 N GLN A 14 10.533 27.878 2.889 1.00 23.11 N ATOM 180 CA GLN A 14 10.801 28.704 1.718 1.00 64.24 C ATOM 181 C GLN A 14 9.815 29.864 1.632 1.00 21.12 C ATOM 182 O GLN A 14 8.805 29.885 2.336 1.00 54.30 O ATOM 183 CB GLN A 14 10.726 27.860 0.444 1.00 32.42 C ATOM 184 CG GLN A 14 12.063 27.273 0.023 1.00 44.34 C ATOM 185 CD GLN A 14 11.913 26.019 -0.816 1.00 12.41 C ATOM 186 OE1 GLN A 14 10.974 25.244 -0.631 1.00 2.10 O ATOM 187 NE2 GLN A 14 12.839 25.813 -1.745 1.00 11.30 N ATOM 0 H GLN A 14 9.718 27.271 2.800 1.00 23.11 H new ATOM 0 HA GLN A 14 11.807 29.113 1.816 1.00 64.24 H new ATOM 0 HB2 GLN A 14 10.015 27.049 0.597 1.00 32.42 H new ATOM 0 HB3 GLN A 14 10.337 28.476 -0.367 1.00 32.42 H new ATOM 0 HG2 GLN A 14 12.621 28.019 -0.543 1.00 44.34 H new ATOM 0 HG3 GLN A 14 12.650 27.042 0.912 1.00 44.34 H new ATOM 0 HE21 GLN A 14 13.600 26.482 -1.864 1.00 11.30 H new ATOM 0 HE22 GLN A 14 12.789 24.986 -2.340 1.00 11.30 H new ATOM 196 N CYS A 15 10.115 30.826 0.767 1.00 11.10 N ATOM 197 CA CYS A 15 9.255 31.991 0.590 1.00 32.14 C ATOM 198 C CYS A 15 7.971 31.613 -0.141 1.00 32.33 C ATOM 199 O CYS A 15 7.993 30.834 -1.094 1.00 32.33 O ATOM 200 CB CYS A 15 9.994 33.084 -0.183 1.00 74.23 C ATOM 201 SG CYS A 15 9.187 34.701 -0.128 1.00 1.11 S ATOM 0 H CYS A 15 10.947 30.823 0.177 1.00 11.10 H new ATOM 0 HA CYS A 15 8.991 32.370 1.577 1.00 32.14 H new ATOM 0 HB2 CYS A 15 11.003 33.179 0.219 1.00 74.23 H new ATOM 0 HB3 CYS A 15 10.093 32.775 -1.223 1.00 74.23 H new ATOM 0 HG CYS A 15 9.764 35.503 -0.973 1.00 1.11 H new ATOM 207 N VAL A 16 6.852 32.168 0.313 1.00 12.43 N ATOM 208 CA VAL A 16 5.557 31.889 -0.297 1.00 4.21 C ATOM 209 C VAL A 16 5.455 32.520 -1.681 1.00 12.20 C ATOM 210 O VAL A 16 4.721 32.036 -2.543 1.00 21.35 O ATOM 211 CB VAL A 16 4.401 32.407 0.578 1.00 12.24 C ATOM 212 CG1 VAL A 16 4.510 31.853 1.991 1.00 42.13 C ATOM 213 CG2 VAL A 16 4.384 33.928 0.593 1.00 4.35 C ATOM 0 H VAL A 16 6.816 32.814 1.102 1.00 12.43 H new ATOM 0 HA VAL A 16 5.476 30.806 -0.388 1.00 4.21 H new ATOM 0 HB VAL A 16 3.461 32.060 0.149 1.00 12.24 H new ATOM 0 HG11 VAL A 16 3.684 32.230 2.594 1.00 42.13 H new ATOM 0 HG12 VAL A 16 4.468 30.764 1.959 1.00 42.13 H new ATOM 0 HG13 VAL A 16 5.456 32.167 2.433 1.00 42.13 H new ATOM 0 HG21 VAL A 16 3.560 34.277 1.216 1.00 4.35 H new ATOM 0 HG22 VAL A 16 5.326 34.298 0.996 1.00 4.35 H new ATOM 0 HG23 VAL A 16 4.253 34.300 -0.423 1.00 4.35 H new ATOM 223 N SER A 17 6.196 33.604 -1.887 1.00 53.35 N ATOM 224 CA SER A 17 6.186 34.305 -3.167 1.00 31.55 C ATOM 225 C SER A 17 7.041 33.570 -4.195 1.00 35.42 C ATOM 226 O SER A 17 6.541 33.125 -5.229 1.00 43.23 O ATOM 227 CB SER A 17 6.696 35.736 -2.992 1.00 43.21 C ATOM 228 OG SER A 17 6.879 36.369 -4.247 1.00 21.12 O ATOM 0 H SER A 17 6.811 34.016 -1.185 1.00 53.35 H new ATOM 0 HA SER A 17 5.158 34.335 -3.529 1.00 31.55 H new ATOM 0 HB2 SER A 17 5.987 36.307 -2.393 1.00 43.21 H new ATOM 0 HB3 SER A 17 7.639 35.725 -2.446 1.00 43.21 H new ATOM 0 HG SER A 17 7.497 37.123 -4.146 1.00 21.12 H new ATOM 234 N CYS A 18 8.330 33.446 -3.902 1.00 64.15 N ATOM 235 CA CYS A 18 9.256 32.766 -4.801 1.00 62.32 C ATOM 236 C CYS A 18 9.701 31.430 -4.214 1.00 44.23 C ATOM 237 O CYS A 18 9.250 30.370 -4.645 1.00 63.12 O ATOM 238 CB CYS A 18 10.475 33.648 -5.075 1.00 1.13 C ATOM 239 SG CYS A 18 11.728 32.872 -6.122 1.00 51.24 S ATOM 0 H CYS A 18 8.758 33.807 -3.049 1.00 64.15 H new ATOM 0 HA CYS A 18 8.737 32.575 -5.740 1.00 62.32 H new ATOM 0 HB2 CYS A 18 10.143 34.572 -5.549 1.00 1.13 H new ATOM 0 HB3 CYS A 18 10.931 33.924 -4.124 1.00 1.13 H new ATOM 0 HG CYS A 18 12.718 33.696 -6.298 1.00 51.24 H new ATOM 245 N GLY A 19 10.592 31.490 -3.228 1.00 54.14 N ATOM 246 CA GLY A 19 11.085 30.279 -2.600 1.00 33.34 C ATOM 247 C GLY A 19 12.484 30.444 -2.041 1.00 62.43 C ATOM 248 O GLY A 19 13.306 29.531 -2.129 1.00 20.20 O ATOM 0 H GLY A 19 10.980 32.356 -2.854 1.00 54.14 H new ATOM 0 HA2 GLY A 19 10.408 29.989 -1.797 1.00 33.34 H new ATOM 0 HA3 GLY A 19 11.081 29.468 -3.329 1.00 33.34 H new ATOM 252 N ILE A 20 12.757 31.611 -1.467 1.00 72.53 N ATOM 253 CA ILE A 20 14.067 31.892 -0.893 1.00 72.54 C ATOM 254 C ILE A 20 14.425 30.873 0.184 1.00 50.32 C ATOM 255 O ILE A 20 13.564 30.425 0.940 1.00 51.54 O ATOM 256 CB ILE A 20 14.124 33.306 -0.286 1.00 70.24 C ATOM 257 CG1 ILE A 20 13.833 34.357 -1.359 1.00 45.14 C ATOM 258 CG2 ILE A 20 15.483 33.554 0.352 1.00 74.22 C ATOM 259 CD1 ILE A 20 12.406 34.858 -1.343 1.00 44.45 C ATOM 0 H ILE A 20 12.088 32.377 -1.387 1.00 72.53 H new ATOM 0 HA ILE A 20 14.789 31.826 -1.707 1.00 72.54 H new ATOM 0 HB ILE A 20 13.361 33.384 0.489 1.00 70.24 H new ATOM 0 HG12 ILE A 20 14.508 35.202 -1.221 1.00 45.14 H new ATOM 0 HG13 ILE A 20 14.050 33.933 -2.340 1.00 45.14 H new ATOM 0 HG21 ILE A 20 15.508 34.558 0.777 1.00 74.22 H new ATOM 0 HG22 ILE A 20 15.654 32.822 1.141 1.00 74.22 H new ATOM 0 HG23 ILE A 20 16.262 33.461 -0.404 1.00 74.22 H new ATOM 0 HD11 ILE A 20 12.272 35.600 -2.130 1.00 44.45 H new ATOM 0 HD12 ILE A 20 11.725 34.023 -1.512 1.00 44.45 H new ATOM 0 HD13 ILE A 20 12.191 35.312 -0.376 1.00 44.45 H new ATOM 271 N ASN A 21 15.703 30.513 0.249 1.00 52.24 N ATOM 272 CA ASN A 21 16.176 29.548 1.235 1.00 51.44 C ATOM 273 C ASN A 21 16.297 30.193 2.612 1.00 12.10 C ATOM 274 O ASN A 21 17.400 30.376 3.128 1.00 12.10 O ATOM 275 CB ASN A 21 17.528 28.973 0.808 1.00 51.11 C ATOM 276 CG ASN A 21 17.478 28.338 -0.568 1.00 53.14 C ATOM 277 OD1 ASN A 21 16.416 28.253 -1.186 1.00 65.25 O ATOM 278 ND2 ASN A 21 18.629 27.889 -1.055 1.00 33.53 N ATOM 0 H ASN A 21 16.429 30.875 -0.369 1.00 52.24 H new ATOM 0 HA ASN A 21 15.447 28.740 1.295 1.00 51.44 H new ATOM 0 HB2 ASN A 21 18.275 29.767 0.812 1.00 51.11 H new ATOM 0 HB3 ASN A 21 17.850 28.229 1.537 1.00 51.11 H new ATOM 0 HD21 ASN A 21 18.657 27.453 -1.976 1.00 33.53 H new ATOM 0 HD22 ASN A 21 19.485 27.981 -0.508 1.00 33.53 H new ATOM 285 N ILE A 22 15.156 30.534 3.202 1.00 41.44 N ATOM 286 CA ILE A 22 15.134 31.157 4.519 1.00 22.25 C ATOM 287 C ILE A 22 14.744 30.150 5.596 1.00 14.33 C ATOM 288 O ILE A 22 14.061 30.492 6.562 1.00 43.23 O ATOM 289 CB ILE A 22 14.156 32.345 4.565 1.00 51.44 C ATOM 290 CG1 ILE A 22 12.780 31.922 4.045 1.00 5.11 C ATOM 291 CG2 ILE A 22 14.700 33.510 3.751 1.00 51.20 C ATOM 292 CD1 ILE A 22 11.715 32.981 4.224 1.00 71.32 C ATOM 0 H ILE A 22 14.235 30.389 2.788 1.00 41.44 H new ATOM 0 HA ILE A 22 16.143 31.521 4.712 1.00 22.25 H new ATOM 0 HB ILE A 22 14.049 32.668 5.600 1.00 51.44 H new ATOM 0 HG12 ILE A 22 12.861 31.675 2.986 1.00 5.11 H new ATOM 0 HG13 ILE A 22 12.469 31.014 4.562 1.00 5.11 H new ATOM 0 HG21 ILE A 22 13.998 34.343 3.793 1.00 51.20 H new ATOM 0 HG22 ILE A 22 15.660 33.824 4.161 1.00 51.20 H new ATOM 0 HG23 ILE A 22 14.833 33.199 2.715 1.00 51.20 H new ATOM 0 HD11 ILE A 22 10.766 32.613 3.833 1.00 71.32 H new ATOM 0 HD12 ILE A 22 11.606 33.212 5.284 1.00 71.32 H new ATOM 0 HD13 ILE A 22 12.004 33.883 3.684 1.00 71.32 H new ATOM 304 N ALA A 23 15.183 28.908 5.424 1.00 33.34 N ATOM 305 CA ALA A 23 14.883 27.852 6.383 1.00 35.14 C ATOM 306 C ALA A 23 15.602 28.091 7.706 1.00 1.04 C ATOM 307 O ALA A 23 16.830 28.054 7.772 1.00 41.32 O ATOM 308 CB ALA A 23 15.264 26.495 5.811 1.00 72.23 C ATOM 0 H ALA A 23 15.748 28.608 4.629 1.00 33.34 H new ATOM 0 HA ALA A 23 13.810 27.865 6.575 1.00 35.14 H new ATOM 0 HB1 ALA A 23 15.034 25.716 6.538 1.00 72.23 H new ATOM 0 HB2 ALA A 23 14.700 26.315 4.896 1.00 72.23 H new ATOM 0 HB3 ALA A 23 16.331 26.480 5.589 1.00 72.23 H new ATOM 314 N GLY A 24 14.829 28.337 8.760 1.00 73.03 N ATOM 315 CA GLY A 24 15.411 28.579 10.067 1.00 54.52 C ATOM 316 C GLY A 24 16.183 29.882 10.125 1.00 44.32 C ATOM 317 O GLY A 24 17.000 30.088 11.022 1.00 31.32 O ATOM 0 H GLY A 24 13.810 28.373 8.732 1.00 73.03 H new ATOM 0 HA2 GLY A 24 14.620 28.595 10.816 1.00 54.52 H new ATOM 0 HA3 GLY A 24 16.076 27.754 10.324 1.00 54.52 H new ATOM 321 N MET A 25 15.927 30.764 9.164 1.00 33.10 N ATOM 322 CA MET A 25 16.605 32.054 9.110 1.00 63.43 C ATOM 323 C MET A 25 15.694 33.169 9.611 1.00 12.14 C ATOM 324 O MET A 25 14.561 32.920 10.023 1.00 72.32 O ATOM 325 CB MET A 25 17.060 32.355 7.680 1.00 21.24 C ATOM 326 CG MET A 25 18.081 31.364 7.146 1.00 71.52 C ATOM 327 SD MET A 25 18.983 31.997 5.719 1.00 70.12 S ATOM 328 CE MET A 25 20.577 32.351 6.456 1.00 54.23 C ATOM 0 H MET A 25 15.255 30.609 8.412 1.00 33.10 H new ATOM 0 HA MET A 25 17.479 32.004 9.759 1.00 63.43 H new ATOM 0 HB2 MET A 25 16.190 32.357 7.023 1.00 21.24 H new ATOM 0 HB3 MET A 25 17.487 33.357 7.647 1.00 21.24 H new ATOM 0 HG2 MET A 25 18.788 31.115 7.937 1.00 71.52 H new ATOM 0 HG3 MET A 25 17.574 30.439 6.870 1.00 71.52 H new ATOM 0 HE1 MET A 25 21.248 32.751 5.696 1.00 54.23 H new ATOM 0 HE2 MET A 25 20.454 33.083 7.254 1.00 54.23 H new ATOM 0 HE3 MET A 25 21.000 31.434 6.867 1.00 54.23 H new ATOM 338 N SER A 26 16.196 34.399 9.575 1.00 40.22 N ATOM 339 CA SER A 26 15.428 35.552 10.030 1.00 41.31 C ATOM 340 C SER A 26 14.629 36.160 8.881 1.00 14.03 C ATOM 341 O SER A 26 15.184 36.509 7.840 1.00 21.51 O ATOM 342 CB SER A 26 16.359 36.606 10.632 1.00 1.30 C ATOM 343 OG SER A 26 16.929 36.150 11.846 1.00 31.54 O ATOM 0 H SER A 26 17.131 34.623 9.235 1.00 40.22 H new ATOM 0 HA SER A 26 14.730 35.213 10.796 1.00 41.31 H new ATOM 0 HB2 SER A 26 17.151 36.844 9.922 1.00 1.30 H new ATOM 0 HB3 SER A 26 15.804 37.527 10.811 1.00 1.30 H new ATOM 0 HG SER A 26 17.521 36.841 12.209 1.00 31.54 H new ATOM 349 N ALA A 27 13.320 36.284 9.080 1.00 63.42 N ATOM 350 CA ALA A 27 12.444 36.851 8.063 1.00 74.32 C ATOM 351 C ALA A 27 11.033 37.052 8.605 1.00 55.13 C ATOM 352 O ALA A 27 10.754 36.750 9.765 1.00 71.24 O ATOM 353 CB ALA A 27 12.416 35.957 6.832 1.00 73.41 C ATOM 0 H ALA A 27 12.844 35.999 9.936 1.00 63.42 H new ATOM 0 HA ALA A 27 12.840 37.827 7.781 1.00 74.32 H new ATOM 0 HB1 ALA A 27 11.758 36.393 6.081 1.00 73.41 H new ATOM 0 HB2 ALA A 27 13.423 35.868 6.424 1.00 73.41 H new ATOM 0 HB3 ALA A 27 12.047 34.969 7.108 1.00 73.41 H new ATOM 359 N ALA A 28 10.146 37.565 7.758 1.00 41.21 N ATOM 360 CA ALA A 28 8.764 37.806 8.152 1.00 75.30 C ATOM 361 C ALA A 28 8.006 36.494 8.327 1.00 25.33 C ATOM 362 O ALA A 28 7.724 35.792 7.355 1.00 1.41 O ATOM 363 CB ALA A 28 8.067 38.686 7.124 1.00 23.25 C ATOM 0 H ALA A 28 10.361 37.822 6.794 1.00 41.21 H new ATOM 0 HA ALA A 28 8.771 38.323 9.112 1.00 75.30 H new ATOM 0 HB1 ALA A 28 7.035 38.858 7.432 1.00 23.25 H new ATOM 0 HB2 ALA A 28 8.587 39.641 7.050 1.00 23.25 H new ATOM 0 HB3 ALA A 28 8.079 38.190 6.153 1.00 23.25 H new ATOM 369 N THR A 29 7.680 36.166 9.574 1.00 62.13 N ATOM 370 CA THR A 29 6.958 34.937 9.877 1.00 74.04 C ATOM 371 C THR A 29 5.648 35.233 10.599 1.00 60.14 C ATOM 372 O THR A 29 5.579 36.132 11.437 1.00 22.21 O ATOM 373 CB THR A 29 7.805 33.986 10.743 1.00 12.11 C ATOM 374 OG1 THR A 29 9.160 33.979 10.281 1.00 2.43 O ATOM 375 CG2 THR A 29 7.243 32.573 10.703 1.00 21.14 C ATOM 0 H THR A 29 7.905 36.735 10.390 1.00 62.13 H new ATOM 0 HA THR A 29 6.744 34.454 8.924 1.00 74.04 H new ATOM 0 HB THR A 29 7.774 34.343 11.772 1.00 12.11 H new ATOM 0 HG1 THR A 29 9.692 33.373 10.838 1.00 2.43 H new ATOM 0 HG21 THR A 29 7.858 31.919 11.322 1.00 21.14 H new ATOM 0 HG22 THR A 29 6.221 32.577 11.083 1.00 21.14 H new ATOM 0 HG23 THR A 29 7.247 32.209 9.676 1.00 21.14 H new ATOM 383 N PHE A 30 4.611 34.471 10.269 1.00 75.05 N ATOM 384 CA PHE A 30 3.302 34.652 10.886 1.00 51.11 C ATOM 385 C PHE A 30 2.487 33.363 10.822 1.00 3.40 C ATOM 386 O PHE A 30 2.927 32.365 10.252 1.00 22.54 O ATOM 387 CB PHE A 30 2.541 35.785 10.194 1.00 35.13 C ATOM 388 CG PHE A 30 2.595 35.716 8.695 1.00 44.01 C ATOM 389 CD1 PHE A 30 3.662 36.264 8.002 1.00 45.14 C ATOM 390 CD2 PHE A 30 1.580 35.104 7.979 1.00 74.43 C ATOM 391 CE1 PHE A 30 3.716 36.202 6.622 1.00 43.22 C ATOM 392 CE2 PHE A 30 1.628 35.038 6.599 1.00 2.21 C ATOM 393 CZ PHE A 30 2.697 35.589 5.920 1.00 42.23 C ATOM 0 H PHE A 30 4.651 33.722 9.578 1.00 75.05 H new ATOM 0 HA PHE A 30 3.455 34.913 11.933 1.00 51.11 H new ATOM 0 HB2 PHE A 30 1.499 35.760 10.513 1.00 35.13 H new ATOM 0 HB3 PHE A 30 2.952 36.740 10.521 1.00 35.13 H new ATOM 0 HD1 PHE A 30 4.461 36.745 8.546 1.00 45.14 H new ATOM 0 HD2 PHE A 30 0.741 34.673 8.505 1.00 74.43 H new ATOM 0 HE1 PHE A 30 4.554 36.632 6.094 1.00 43.22 H new ATOM 0 HE2 PHE A 30 0.831 34.556 6.053 1.00 2.21 H new ATOM 0 HZ PHE A 30 2.736 35.541 4.842 1.00 42.23 H new ATOM 403 N LYS A 31 1.297 33.393 11.411 1.00 12.33 N ATOM 404 CA LYS A 31 0.418 32.230 11.422 1.00 24.42 C ATOM 405 C LYS A 31 -0.809 32.466 10.548 1.00 12.33 C ATOM 406 O LYS A 31 -1.536 33.443 10.735 1.00 75.42 O ATOM 407 CB LYS A 31 -0.016 31.906 12.854 1.00 40.15 C ATOM 408 CG LYS A 31 -1.042 30.789 12.940 1.00 5.11 C ATOM 409 CD LYS A 31 -1.543 30.601 14.362 1.00 3.33 C ATOM 410 CE LYS A 31 -0.514 29.887 15.226 1.00 74.23 C ATOM 411 NZ LYS A 31 -0.670 28.407 15.164 1.00 51.11 N ATOM 0 H LYS A 31 0.918 34.211 11.888 1.00 12.33 H new ATOM 0 HA LYS A 31 0.972 31.383 11.017 1.00 24.42 H new ATOM 0 HB2 LYS A 31 0.862 31.627 13.437 1.00 40.15 H new ATOM 0 HB3 LYS A 31 -0.430 32.805 13.311 1.00 40.15 H new ATOM 0 HG2 LYS A 31 -1.883 31.014 12.284 1.00 5.11 H new ATOM 0 HG3 LYS A 31 -0.600 29.859 12.583 1.00 5.11 H new ATOM 0 HD2 LYS A 31 -1.775 31.572 14.799 1.00 3.33 H new ATOM 0 HD3 LYS A 31 -2.470 30.028 14.349 1.00 3.33 H new ATOM 0 HE2 LYS A 31 0.489 30.161 14.898 1.00 74.23 H new ATOM 0 HE3 LYS A 31 -0.613 30.220 16.259 1.00 74.23 H new ATOM 0 HZ1 LYS A 31 0.090 27.955 15.711 1.00 51.11 H new ATOM 0 HZ2 LYS A 31 -1.592 28.138 15.564 1.00 51.11 H new ATOM 0 HZ3 LYS A 31 -0.618 28.094 14.174 1.00 51.11 H new ATOM 425 N CYS A 32 -1.034 31.567 9.597 1.00 53.44 N ATOM 426 CA CYS A 32 -2.175 31.679 8.694 1.00 30.44 C ATOM 427 C CYS A 32 -3.487 31.515 9.454 1.00 13.33 C ATOM 428 O CYS A 32 -3.703 30.535 10.167 1.00 64.52 O ATOM 429 CB CYS A 32 -2.079 30.629 7.586 1.00 33.12 C ATOM 430 SG CYS A 32 -3.215 30.906 6.207 1.00 41.23 S ATOM 0 H CYS A 32 -0.442 30.753 9.431 1.00 53.44 H new ATOM 0 HA CYS A 32 -2.157 32.673 8.246 1.00 30.44 H new ATOM 0 HB2 CYS A 32 -1.058 30.612 7.204 1.00 33.12 H new ATOM 0 HB3 CYS A 32 -2.276 29.646 8.014 1.00 33.12 H new ATOM 0 HG CYS A 32 -3.441 29.780 5.598 1.00 41.23 H new ATOM 436 N PRO A 33 -4.386 32.499 9.302 1.00 40.21 N ATOM 437 CA PRO A 33 -5.692 32.488 9.967 1.00 53.11 C ATOM 438 C PRO A 33 -6.621 31.419 9.402 1.00 73.00 C ATOM 439 O PRO A 33 -7.711 31.190 9.927 1.00 71.21 O ATOM 440 CB PRO A 33 -6.248 33.885 9.680 1.00 12.31 C ATOM 441 CG PRO A 33 -5.568 34.314 8.426 1.00 24.31 C ATOM 442 CD PRO A 33 -4.196 33.698 8.468 1.00 13.01 C ATOM 0 HA PRO A 33 -5.607 32.258 11.029 1.00 53.11 H new ATOM 0 HB2 PRO A 33 -7.331 33.862 9.555 1.00 12.31 H new ATOM 0 HB3 PRO A 33 -6.036 34.571 10.500 1.00 12.31 H new ATOM 0 HG2 PRO A 33 -6.120 33.978 7.548 1.00 24.31 H new ATOM 0 HG3 PRO A 33 -5.506 35.401 8.367 1.00 24.31 H new ATOM 0 HD2 PRO A 33 -3.840 33.441 7.470 1.00 13.01 H new ATOM 0 HD3 PRO A 33 -3.463 34.378 8.903 1.00 13.01 H new ATOM 450 N ASP A 34 -6.183 30.768 8.330 1.00 33.43 N ATOM 451 CA ASP A 34 -6.975 29.721 7.695 1.00 75.10 C ATOM 452 C ASP A 34 -6.670 28.359 8.311 1.00 52.02 C ATOM 453 O ASP A 34 -7.572 27.661 8.776 1.00 70.23 O ATOM 454 CB ASP A 34 -6.702 29.687 6.191 1.00 52.15 C ATOM 455 CG ASP A 34 -7.902 29.212 5.395 1.00 40.03 C ATOM 456 OD1 ASP A 34 -8.874 29.986 5.266 1.00 5.42 O ATOM 457 OD2 ASP A 34 -7.869 28.066 4.900 1.00 50.34 O ATOM 0 H ASP A 34 -5.284 30.947 7.883 1.00 33.43 H new ATOM 0 HA ASP A 34 -8.029 29.946 7.860 1.00 75.10 H new ATOM 0 HB2 ASP A 34 -6.417 30.684 5.854 1.00 52.15 H new ATOM 0 HB3 ASP A 34 -5.855 29.030 5.993 1.00 52.15 H new ATOM 462 N CYS A 35 -5.395 27.987 8.309 1.00 1.54 N ATOM 463 CA CYS A 35 -4.971 26.708 8.866 1.00 22.23 C ATOM 464 C CYS A 35 -4.261 26.905 10.202 1.00 33.50 C ATOM 465 O CYS A 35 -4.524 26.189 11.168 1.00 53.13 O ATOM 466 CB CYS A 35 -4.047 25.983 7.886 1.00 33.45 C ATOM 467 SG CYS A 35 -2.752 27.028 7.182 1.00 45.24 S ATOM 0 H CYS A 35 -4.637 28.553 7.928 1.00 1.54 H new ATOM 0 HA CYS A 35 -5.860 26.100 9.034 1.00 22.23 H new ATOM 0 HB2 CYS A 35 -3.581 25.141 8.398 1.00 33.45 H new ATOM 0 HB3 CYS A 35 -4.647 25.571 7.075 1.00 33.45 H new ATOM 0 HG CYS A 35 -3.125 27.451 6.011 1.00 45.24 H new ATOM 473 N GLY A 36 -3.358 27.879 10.249 1.00 53.51 N ATOM 474 CA GLY A 36 -2.623 28.152 11.470 1.00 31.31 C ATOM 475 C GLY A 36 -1.188 27.668 11.403 1.00 32.01 C ATOM 476 O GLY A 36 -0.524 27.533 12.430 1.00 0.23 O ATOM 0 H GLY A 36 -3.122 28.484 9.463 1.00 53.51 H new ATOM 0 HA2 GLY A 36 -2.633 29.224 11.664 1.00 31.31 H new ATOM 0 HA3 GLY A 36 -3.127 27.671 12.309 1.00 31.31 H new ATOM 480 N GLN A 37 -0.710 27.405 10.191 1.00 30.23 N ATOM 481 CA GLN A 37 0.655 26.931 9.996 1.00 71.35 C ATOM 482 C GLN A 37 1.637 28.097 9.962 1.00 11.25 C ATOM 483 O GLN A 37 1.286 29.204 9.555 1.00 62.14 O ATOM 484 CB GLN A 37 0.757 26.126 8.699 1.00 53.14 C ATOM 485 CG GLN A 37 0.844 26.991 7.451 1.00 31.24 C ATOM 486 CD GLN A 37 2.230 26.992 6.837 1.00 21.55 C ATOM 487 OE1 GLN A 37 2.903 28.022 6.797 1.00 23.24 O ATOM 488 NE2 GLN A 37 2.665 25.833 6.355 1.00 53.32 N ATOM 0 H GLN A 37 -1.247 27.512 9.330 1.00 30.23 H new ATOM 0 HA GLN A 37 0.913 26.287 10.837 1.00 71.35 H new ATOM 0 HB2 GLN A 37 1.636 25.484 8.748 1.00 53.14 H new ATOM 0 HB3 GLN A 37 -0.111 25.472 8.618 1.00 53.14 H new ATOM 0 HG2 GLN A 37 0.125 26.633 6.714 1.00 31.24 H new ATOM 0 HG3 GLN A 37 0.561 28.013 7.702 1.00 31.24 H new ATOM 0 HE21 GLN A 37 2.073 25.004 6.409 1.00 53.32 H new ATOM 0 HE22 GLN A 37 3.591 25.772 5.931 1.00 53.32 H new ATOM 497 N GLU A 38 2.868 27.841 10.395 1.00 75.10 N ATOM 498 CA GLU A 38 3.899 28.871 10.416 1.00 43.25 C ATOM 499 C GLU A 38 4.382 29.186 9.003 1.00 40.04 C ATOM 500 O GLU A 38 5.006 28.350 8.348 1.00 10.20 O ATOM 501 CB GLU A 38 5.079 28.425 11.282 1.00 41.51 C ATOM 502 CG GLU A 38 6.050 29.547 11.612 1.00 71.13 C ATOM 503 CD GLU A 38 6.973 29.200 12.764 1.00 71.55 C ATOM 504 OE1 GLU A 38 6.538 29.319 13.928 1.00 32.52 O ATOM 505 OE2 GLU A 38 8.130 28.809 12.501 1.00 54.31 O ATOM 0 H GLU A 38 3.175 26.930 10.736 1.00 75.10 H new ATOM 0 HA GLU A 38 3.465 29.775 10.843 1.00 43.25 H new ATOM 0 HB2 GLU A 38 4.697 28.001 12.211 1.00 41.51 H new ATOM 0 HB3 GLU A 38 5.617 27.630 10.766 1.00 41.51 H new ATOM 0 HG2 GLU A 38 6.647 29.777 10.730 1.00 71.13 H new ATOM 0 HG3 GLU A 38 5.488 30.447 11.860 1.00 71.13 H new ATOM 512 N ILE A 39 4.088 30.396 8.539 1.00 2.23 N ATOM 513 CA ILE A 39 4.492 30.822 7.205 1.00 23.30 C ATOM 514 C ILE A 39 5.805 31.597 7.249 1.00 32.31 C ATOM 515 O ILE A 39 5.993 32.471 8.095 1.00 42.01 O ATOM 516 CB ILE A 39 3.413 31.699 6.543 1.00 62.31 C ATOM 517 CG1 ILE A 39 2.048 31.012 6.621 1.00 63.35 C ATOM 518 CG2 ILE A 39 3.783 31.992 5.097 1.00 42.13 C ATOM 519 CD1 ILE A 39 0.934 31.806 5.975 1.00 45.00 C ATOM 0 H ILE A 39 3.571 31.099 9.068 1.00 2.23 H new ATOM 0 HA ILE A 39 4.627 29.917 6.612 1.00 23.30 H new ATOM 0 HB ILE A 39 3.354 32.645 7.081 1.00 62.31 H new ATOM 0 HG12 ILE A 39 2.114 30.036 6.140 1.00 63.35 H new ATOM 0 HG13 ILE A 39 1.798 30.836 7.667 1.00 63.35 H new ATOM 0 HG21 ILE A 39 3.011 32.613 4.642 1.00 42.13 H new ATOM 0 HG22 ILE A 39 4.737 32.518 5.065 1.00 42.13 H new ATOM 0 HG23 ILE A 39 3.867 31.055 4.546 1.00 42.13 H new ATOM 0 HD11 ILE A 39 -0.004 31.259 6.068 1.00 45.00 H new ATOM 0 HD12 ILE A 39 0.841 32.772 6.471 1.00 45.00 H new ATOM 0 HD13 ILE A 39 1.161 31.960 4.920 1.00 45.00 H new ATOM 531 N SER A 40 6.709 31.271 6.331 1.00 22.01 N ATOM 532 CA SER A 40 8.006 31.935 6.266 1.00 53.11 C ATOM 533 C SER A 40 8.160 32.698 4.954 1.00 52.31 C ATOM 534 O SER A 40 8.096 32.114 3.872 1.00 22.01 O ATOM 535 CB SER A 40 9.134 30.912 6.410 1.00 42.23 C ATOM 536 OG SER A 40 9.280 30.500 7.758 1.00 61.14 O ATOM 0 H SER A 40 6.567 30.551 5.622 1.00 22.01 H new ATOM 0 HA SER A 40 8.064 32.647 7.089 1.00 53.11 H new ATOM 0 HB2 SER A 40 8.926 30.046 5.782 1.00 42.23 H new ATOM 0 HB3 SER A 40 10.069 31.345 6.055 1.00 42.23 H new ATOM 0 HG SER A 40 10.171 30.113 7.887 1.00 61.14 H new ATOM 542 N ARG A 41 8.363 34.007 5.058 1.00 12.55 N ATOM 543 CA ARG A 41 8.525 34.852 3.881 1.00 31.02 C ATOM 544 C ARG A 41 9.741 35.762 4.028 1.00 60.20 C ATOM 545 O ARG A 41 9.881 36.472 5.025 1.00 54.15 O ATOM 546 CB ARG A 41 7.268 35.695 3.655 1.00 64.21 C ATOM 547 CG ARG A 41 6.007 34.869 3.463 1.00 62.52 C ATOM 548 CD ARG A 41 4.786 35.753 3.266 1.00 42.30 C ATOM 549 NE ARG A 41 4.881 36.554 2.048 1.00 2.14 N ATOM 550 CZ ARG A 41 4.028 37.524 1.738 1.00 2.14 C ATOM 551 NH1 ARG A 41 3.022 37.812 2.553 1.00 44.33 N ATOM 552 NH2 ARG A 41 4.181 38.209 0.612 1.00 71.41 N ATOM 0 H ARG A 41 8.419 34.506 5.946 1.00 12.55 H new ATOM 0 HA ARG A 41 8.680 34.204 3.018 1.00 31.02 H new ATOM 0 HB2 ARG A 41 7.130 36.361 4.507 1.00 64.21 H new ATOM 0 HB3 ARG A 41 7.416 36.325 2.778 1.00 64.21 H new ATOM 0 HG2 ARG A 41 6.127 34.215 2.599 1.00 62.52 H new ATOM 0 HG3 ARG A 41 5.856 34.227 4.331 1.00 62.52 H new ATOM 0 HD2 ARG A 41 3.892 35.131 3.222 1.00 42.30 H new ATOM 0 HD3 ARG A 41 4.674 36.413 4.126 1.00 42.30 H new ATOM 0 HE ARG A 41 5.644 36.358 1.400 1.00 2.14 H new ATOM 0 HH11 ARG A 41 2.902 37.288 3.420 1.00 44.33 H new ATOM 0 HH12 ARG A 41 2.368 38.557 2.313 1.00 44.33 H new ATOM 0 HH21 ARG A 41 4.954 37.991 -0.017 1.00 71.41 H new ATOM 0 HH22 ARG A 41 3.525 38.954 0.375 1.00 71.41 H new ATOM 566 N CYS A 42 10.618 35.734 3.030 1.00 14.53 N ATOM 567 CA CYS A 42 11.823 36.556 3.049 1.00 71.32 C ATOM 568 C CYS A 42 11.470 38.039 3.055 1.00 12.52 C ATOM 569 O CYS A 42 10.340 38.420 2.750 1.00 13.22 O ATOM 570 CB CYS A 42 12.703 36.234 1.840 1.00 20.32 C ATOM 571 SG CYS A 42 14.462 36.563 2.099 1.00 30.33 S ATOM 0 H CYS A 42 10.517 35.152 2.199 1.00 14.53 H new ATOM 0 HA CYS A 42 12.374 36.329 3.962 1.00 71.32 H new ATOM 0 HB2 CYS A 42 12.575 35.183 1.581 1.00 20.32 H new ATOM 0 HB3 CYS A 42 12.357 36.817 0.987 1.00 20.32 H new ATOM 0 HG CYS A 42 15.057 36.671 0.948 1.00 30.33 H new ATOM 577 N SER A 43 12.444 38.873 3.406 1.00 20.25 N ATOM 578 CA SER A 43 12.235 40.315 3.458 1.00 33.13 C ATOM 579 C SER A 43 11.605 40.819 2.163 1.00 11.35 C ATOM 580 O SER A 43 10.795 41.747 2.173 1.00 63.12 O ATOM 581 CB SER A 43 13.561 41.035 3.708 1.00 10.41 C ATOM 582 OG SER A 43 14.301 40.399 4.735 1.00 4.23 O ATOM 0 H SER A 43 13.386 38.574 3.659 1.00 20.25 H new ATOM 0 HA SER A 43 11.553 40.530 4.281 1.00 33.13 H new ATOM 0 HB2 SER A 43 14.148 41.052 2.790 1.00 10.41 H new ATOM 0 HB3 SER A 43 13.369 42.072 3.983 1.00 10.41 H new ATOM 0 HG SER A 43 15.145 40.877 4.874 1.00 4.23 H new ATOM 588 N LYS A 44 11.983 40.202 1.049 1.00 33.55 N ATOM 589 CA LYS A 44 11.456 40.585 -0.255 1.00 33.21 C ATOM 590 C LYS A 44 9.931 40.605 -0.241 1.00 14.30 C ATOM 591 O LYS A 44 9.304 41.368 -0.978 1.00 30.40 O ATOM 592 CB LYS A 44 11.954 39.619 -1.333 1.00 15.12 C ATOM 593 CG LYS A 44 13.461 39.641 -1.520 1.00 54.43 C ATOM 594 CD LYS A 44 13.911 40.885 -2.268 1.00 2.10 C ATOM 595 CE LYS A 44 15.357 41.233 -1.950 1.00 2.31 C ATOM 596 NZ LYS A 44 15.472 42.041 -0.704 1.00 41.12 N ATOM 0 H LYS A 44 12.653 39.434 1.023 1.00 33.55 H new ATOM 0 HA LYS A 44 11.813 41.589 -0.483 1.00 33.21 H new ATOM 0 HB2 LYS A 44 11.643 38.607 -1.074 1.00 15.12 H new ATOM 0 HB3 LYS A 44 11.475 39.867 -2.280 1.00 15.12 H new ATOM 0 HG2 LYS A 44 13.950 39.604 -0.547 1.00 54.43 H new ATOM 0 HG3 LYS A 44 13.774 38.752 -2.068 1.00 54.43 H new ATOM 0 HD2 LYS A 44 13.801 40.726 -3.341 1.00 2.10 H new ATOM 0 HD3 LYS A 44 13.267 41.723 -2.003 1.00 2.10 H new ATOM 0 HE2 LYS A 44 15.936 40.316 -1.843 1.00 2.31 H new ATOM 0 HE3 LYS A 44 15.789 41.787 -2.783 1.00 2.31 H new ATOM 0 HZ1 LYS A 44 16.473 42.258 -0.522 1.00 41.12 H new ATOM 0 HZ2 LYS A 44 14.940 42.928 -0.815 1.00 41.12 H new ATOM 0 HZ3 LYS A 44 15.083 41.502 0.096 1.00 41.12 H new ATOM 610 N CYS A 45 9.340 39.765 0.602 1.00 40.43 N ATOM 611 CA CYS A 45 7.888 39.688 0.712 1.00 74.12 C ATOM 612 C CYS A 45 7.288 41.066 0.972 1.00 32.24 C ATOM 613 O CYS A 45 6.124 41.317 0.658 1.00 22.33 O ATOM 614 CB CYS A 45 7.491 38.725 1.832 1.00 11.52 C ATOM 615 SG CYS A 45 7.551 39.453 3.486 1.00 13.33 S ATOM 0 H CYS A 45 9.844 39.128 1.219 1.00 40.43 H new ATOM 0 HA CYS A 45 7.496 39.315 -0.234 1.00 74.12 H new ATOM 0 HB2 CYS A 45 6.481 38.361 1.643 1.00 11.52 H new ATOM 0 HB3 CYS A 45 8.152 37.859 1.804 1.00 11.52 H new ATOM 0 HG CYS A 45 8.748 39.321 3.975 1.00 13.33 H new ATOM 621 N ARG A 46 8.089 41.955 1.550 1.00 64.31 N ATOM 622 CA ARG A 46 7.637 43.306 1.856 1.00 51.54 C ATOM 623 C ARG A 46 6.956 43.938 0.645 1.00 15.43 C ATOM 624 O ARG A 46 6.006 44.710 0.786 1.00 60.52 O ATOM 625 CB ARG A 46 8.816 44.173 2.301 1.00 50.52 C ATOM 626 CG ARG A 46 9.276 43.893 3.722 1.00 14.12 C ATOM 627 CD ARG A 46 10.561 44.637 4.049 1.00 14.43 C ATOM 628 NE ARG A 46 10.372 46.086 4.041 1.00 73.43 N ATOM 629 CZ ARG A 46 9.698 46.744 4.977 1.00 53.32 C ATOM 630 NH1 ARG A 46 9.152 46.088 5.991 1.00 32.11 N ATOM 631 NH2 ARG A 46 9.569 48.063 4.900 1.00 62.24 N ATOM 0 H ARG A 46 9.055 41.763 1.816 1.00 64.31 H new ATOM 0 HA ARG A 46 6.913 43.245 2.669 1.00 51.54 H new ATOM 0 HB2 ARG A 46 9.651 44.013 1.620 1.00 50.52 H new ATOM 0 HB3 ARG A 46 8.535 45.223 2.219 1.00 50.52 H new ATOM 0 HG2 ARG A 46 8.495 44.188 4.423 1.00 14.12 H new ATOM 0 HG3 ARG A 46 9.432 42.822 3.851 1.00 14.12 H new ATOM 0 HD2 ARG A 46 10.922 44.324 5.029 1.00 14.43 H new ATOM 0 HD3 ARG A 46 11.330 44.368 3.325 1.00 14.43 H new ATOM 0 HE ARG A 46 10.780 46.621 3.275 1.00 73.43 H new ATOM 0 HH11 ARG A 46 9.249 45.075 6.054 1.00 32.11 H new ATOM 0 HH12 ARG A 46 8.635 46.597 6.708 1.00 32.11 H new ATOM 0 HH21 ARG A 46 9.988 48.572 4.121 1.00 62.24 H new ATOM 0 HH22 ARG A 46 9.051 48.568 5.619 1.00 62.24 H new ATOM 645 N LYS A 47 7.447 43.607 -0.544 1.00 30.01 N ATOM 646 CA LYS A 47 6.886 44.140 -1.780 1.00 4.43 C ATOM 647 C LYS A 47 5.655 43.347 -2.205 1.00 51.42 C ATOM 648 O LYS A 47 4.705 43.906 -2.753 1.00 43.51 O ATOM 649 CB LYS A 47 7.935 44.111 -2.894 1.00 1.11 C ATOM 650 CG LYS A 47 9.031 45.149 -2.725 1.00 23.31 C ATOM 651 CD LYS A 47 9.750 45.420 -4.036 1.00 73.41 C ATOM 652 CE LYS A 47 10.704 44.290 -4.393 1.00 32.04 C ATOM 653 NZ LYS A 47 11.972 44.369 -3.615 1.00 75.43 N ATOM 0 H LYS A 47 8.233 42.971 -0.678 1.00 30.01 H new ATOM 0 HA LYS A 47 6.586 45.172 -1.599 1.00 4.43 H new ATOM 0 HB2 LYS A 47 8.387 43.120 -2.930 1.00 1.11 H new ATOM 0 HB3 LYS A 47 7.440 44.270 -3.852 1.00 1.11 H new ATOM 0 HG2 LYS A 47 8.600 46.076 -2.347 1.00 23.31 H new ATOM 0 HG3 LYS A 47 9.748 44.804 -1.980 1.00 23.31 H new ATOM 0 HD2 LYS A 47 9.018 45.546 -4.834 1.00 73.41 H new ATOM 0 HD3 LYS A 47 10.304 46.356 -3.962 1.00 73.41 H new ATOM 0 HE2 LYS A 47 10.220 43.332 -4.203 1.00 32.04 H new ATOM 0 HE3 LYS A 47 10.929 44.327 -5.459 1.00 32.04 H new ATOM 0 HZ1 LYS A 47 12.609 43.602 -3.911 1.00 75.43 H new ATOM 0 HZ2 LYS A 47 12.430 45.286 -3.790 1.00 75.43 H new ATOM 0 HZ3 LYS A 47 11.763 44.274 -2.601 1.00 75.43 H new ATOM 667 N GLN A 48 5.678 42.044 -1.948 1.00 61.41 N ATOM 668 CA GLN A 48 4.562 41.175 -2.304 1.00 43.24 C ATOM 669 C GLN A 48 3.452 41.260 -1.262 1.00 23.31 C ATOM 670 O GLN A 48 2.422 40.598 -1.383 1.00 73.43 O ATOM 671 CB GLN A 48 5.039 39.728 -2.443 1.00 52.33 C ATOM 672 CG GLN A 48 5.892 39.485 -3.677 1.00 63.34 C ATOM 673 CD GLN A 48 7.348 39.848 -3.461 1.00 41.13 C ATOM 674 OE1 GLN A 48 8.074 39.155 -2.748 1.00 33.30 O ATOM 675 NE2 GLN A 48 7.784 40.940 -4.078 1.00 53.41 N ATOM 0 H GLN A 48 6.457 41.566 -1.495 1.00 61.41 H new ATOM 0 HA GLN A 48 4.163 41.512 -3.261 1.00 43.24 H new ATOM 0 HB2 GLN A 48 5.612 39.456 -1.556 1.00 52.33 H new ATOM 0 HB3 GLN A 48 4.171 39.070 -2.476 1.00 52.33 H new ATOM 0 HG2 GLN A 48 5.822 38.435 -3.962 1.00 63.34 H new ATOM 0 HG3 GLN A 48 5.496 40.068 -4.508 1.00 63.34 H new ATOM 0 HE21 GLN A 48 7.148 41.485 -4.660 1.00 53.41 H new ATOM 0 HE22 GLN A 48 8.755 41.233 -3.970 1.00 53.41 H new ATOM 684 N SER A 49 3.670 42.078 -0.237 1.00 44.05 N ATOM 685 CA SER A 49 2.690 42.246 0.829 1.00 60.21 C ATOM 686 C SER A 49 1.332 42.648 0.260 1.00 24.45 C ATOM 687 O SER A 49 0.289 42.277 0.796 1.00 31.11 O ATOM 688 CB SER A 49 3.169 43.300 1.829 1.00 32.55 C ATOM 689 OG SER A 49 2.437 43.222 3.041 1.00 43.23 O ATOM 0 H SER A 49 4.517 42.635 -0.123 1.00 44.05 H new ATOM 0 HA SER A 49 2.581 41.291 1.343 1.00 60.21 H new ATOM 0 HB2 SER A 49 4.231 43.158 2.032 1.00 32.55 H new ATOM 0 HB3 SER A 49 3.057 44.294 1.396 1.00 32.55 H new ATOM 0 HG SER A 49 2.763 43.905 3.664 1.00 43.23 H new ATOM 695 N ASN A 50 1.356 43.409 -0.829 1.00 31.22 N ATOM 696 CA ASN A 50 0.127 43.862 -1.471 1.00 5.41 C ATOM 697 C ASN A 50 -0.804 42.688 -1.754 1.00 33.14 C ATOM 698 O ASN A 50 -2.027 42.822 -1.690 1.00 71.13 O ATOM 699 CB ASN A 50 0.450 44.597 -2.774 1.00 13.44 C ATOM 700 CG ASN A 50 -0.603 45.629 -3.131 1.00 2.12 C ATOM 701 OD1 ASN A 50 -1.227 45.554 -4.189 1.00 52.32 O ATOM 702 ND2 ASN A 50 -0.804 46.599 -2.247 1.00 1.51 N ATOM 0 H ASN A 50 2.212 43.725 -1.285 1.00 31.22 H new ATOM 0 HA ASN A 50 -0.378 44.547 -0.790 1.00 5.41 H new ATOM 0 HB2 ASN A 50 1.419 45.088 -2.681 1.00 13.44 H new ATOM 0 HB3 ASN A 50 0.536 43.873 -3.585 1.00 13.44 H new ATOM 0 HD21 ASN A 50 -1.499 47.322 -2.432 1.00 1.51 H new ATOM 0 HD22 ASN A 50 -0.263 46.621 -1.383 1.00 1.51 H new ATOM 709 N LEU A 51 -0.218 41.537 -2.065 1.00 75.01 N ATOM 710 CA LEU A 51 -0.996 40.337 -2.357 1.00 44.41 C ATOM 711 C LEU A 51 -0.183 39.079 -2.069 1.00 72.12 C ATOM 712 O LEU A 51 0.835 38.824 -2.713 1.00 11.10 O ATOM 713 CB LEU A 51 -1.449 40.342 -3.818 1.00 42.51 C ATOM 714 CG LEU A 51 -2.725 39.560 -4.128 1.00 35.05 C ATOM 715 CD1 LEU A 51 -2.525 38.079 -3.847 1.00 20.21 C ATOM 716 CD2 LEU A 51 -3.894 40.104 -3.319 1.00 0.51 C ATOM 0 H LEU A 51 0.792 41.409 -2.122 1.00 75.01 H new ATOM 0 HA LEU A 51 -1.874 40.336 -1.711 1.00 44.41 H new ATOM 0 HB2 LEU A 51 -1.597 41.376 -4.128 1.00 42.51 H new ATOM 0 HB3 LEU A 51 -0.642 39.938 -4.429 1.00 42.51 H new ATOM 0 HG LEU A 51 -2.954 39.681 -5.187 1.00 35.05 H new ATOM 0 HD11 LEU A 51 -3.444 37.538 -4.073 1.00 20.21 H new ATOM 0 HD12 LEU A 51 -1.716 37.697 -4.470 1.00 20.21 H new ATOM 0 HD13 LEU A 51 -2.271 37.939 -2.796 1.00 20.21 H new ATOM 0 HD21 LEU A 51 -4.794 39.535 -3.553 1.00 0.51 H new ATOM 0 HD22 LEU A 51 -3.674 40.014 -2.255 1.00 0.51 H new ATOM 0 HD23 LEU A 51 -4.053 41.153 -3.569 1.00 0.51 H new ATOM 728 N TYR A 52 -0.641 38.295 -1.100 1.00 31.51 N ATOM 729 CA TYR A 52 0.043 37.062 -0.726 1.00 40.25 C ATOM 730 C TYR A 52 -0.907 35.870 -0.791 1.00 52.41 C ATOM 731 O TYR A 52 -2.107 36.031 -1.010 1.00 53.52 O ATOM 732 CB TYR A 52 0.629 37.186 0.681 1.00 31.21 C ATOM 733 CG TYR A 52 -0.398 37.029 1.780 1.00 24.01 C ATOM 734 CD1 TYR A 52 -1.399 37.974 1.962 1.00 14.13 C ATOM 735 CD2 TYR A 52 -0.366 35.935 2.636 1.00 61.31 C ATOM 736 CE1 TYR A 52 -2.339 37.835 2.966 1.00 43.14 C ATOM 737 CE2 TYR A 52 -1.302 35.787 3.641 1.00 20.31 C ATOM 738 CZ TYR A 52 -2.286 36.740 3.802 1.00 20.32 C ATOM 739 OH TYR A 52 -3.221 36.597 4.802 1.00 63.20 O ATOM 0 H TYR A 52 -1.483 38.491 -0.559 1.00 31.51 H new ATOM 0 HA TYR A 52 0.853 36.896 -1.436 1.00 40.25 H new ATOM 0 HB2 TYR A 52 1.405 36.432 0.810 1.00 31.21 H new ATOM 0 HB3 TYR A 52 1.110 38.159 0.781 1.00 31.21 H new ATOM 0 HD1 TYR A 52 -1.444 38.832 1.308 1.00 14.13 H new ATOM 0 HD2 TYR A 52 0.404 35.188 2.513 1.00 61.31 H new ATOM 0 HE1 TYR A 52 -3.110 38.580 3.095 1.00 43.14 H new ATOM 0 HE2 TYR A 52 -1.264 34.930 4.297 1.00 20.31 H new ATOM 0 HH TYR A 52 -3.044 35.772 5.300 1.00 63.20 H new ATOM 749 N GLU A 53 -0.360 34.674 -0.598 1.00 10.40 N ATOM 750 CA GLU A 53 -1.159 33.455 -0.634 1.00 64.14 C ATOM 751 C GLU A 53 -0.465 32.327 0.125 1.00 41.43 C ATOM 752 O GLU A 53 0.700 32.018 -0.130 1.00 11.33 O ATOM 753 CB GLU A 53 -1.413 33.029 -2.082 1.00 34.33 C ATOM 754 CG GLU A 53 -2.024 31.643 -2.210 1.00 11.23 C ATOM 755 CD GLU A 53 -2.208 31.218 -3.654 1.00 24.35 C ATOM 756 OE1 GLU A 53 -1.575 31.833 -4.538 1.00 20.34 O ATOM 757 OE2 GLU A 53 -2.983 30.271 -3.900 1.00 32.34 O ATOM 0 H GLU A 53 0.632 34.523 -0.415 1.00 10.40 H new ATOM 0 HA GLU A 53 -2.114 33.662 -0.150 1.00 64.14 H new ATOM 0 HB2 GLU A 53 -2.076 33.754 -2.554 1.00 34.33 H new ATOM 0 HB3 GLU A 53 -0.471 33.054 -2.630 1.00 34.33 H new ATOM 0 HG2 GLU A 53 -1.386 30.920 -1.701 1.00 11.23 H new ATOM 0 HG3 GLU A 53 -2.990 31.628 -1.705 1.00 11.23 H new ATOM 764 N CYS A 54 -1.188 31.718 1.057 1.00 31.23 N ATOM 765 CA CYS A 54 -0.643 30.625 1.855 1.00 2.42 C ATOM 766 C CYS A 54 -0.382 29.397 0.989 1.00 13.04 C ATOM 767 O CYS A 54 -1.303 28.768 0.468 1.00 53.23 O ATOM 768 CB CYS A 54 -1.601 30.269 2.992 1.00 33.14 C ATOM 769 SG CYS A 54 -0.952 29.038 4.146 1.00 30.44 S ATOM 0 H CYS A 54 -2.153 31.962 1.279 1.00 31.23 H new ATOM 0 HA CYS A 54 0.305 30.955 2.279 1.00 2.42 H new ATOM 0 HB2 CYS A 54 -1.845 31.176 3.545 1.00 33.14 H new ATOM 0 HB3 CYS A 54 -2.532 29.896 2.565 1.00 33.14 H new ATOM 0 HG CYS A 54 -1.490 29.214 5.316 1.00 30.44 H new ATOM 775 N PRO A 55 0.903 29.047 0.830 1.00 34.43 N ATOM 776 CA PRO A 55 1.314 27.892 0.027 1.00 64.40 C ATOM 777 C PRO A 55 0.932 26.567 0.678 1.00 73.34 C ATOM 778 O PRO A 55 1.005 25.511 0.048 1.00 0.23 O ATOM 779 CB PRO A 55 2.837 28.033 -0.043 1.00 20.02 C ATOM 780 CG PRO A 55 3.201 28.813 1.173 1.00 42.21 C ATOM 781 CD PRO A 55 2.052 29.750 1.423 1.00 2.40 C ATOM 0 HA PRO A 55 0.827 27.880 -0.948 1.00 64.40 H new ATOM 0 HB2 PRO A 55 3.325 27.058 -0.049 1.00 20.02 H new ATOM 0 HB3 PRO A 55 3.145 28.550 -0.952 1.00 20.02 H new ATOM 0 HG2 PRO A 55 3.360 28.154 2.026 1.00 42.21 H new ATOM 0 HG3 PRO A 55 4.128 29.365 1.020 1.00 42.21 H new ATOM 0 HD2 PRO A 55 1.906 29.932 2.488 1.00 2.40 H new ATOM 0 HD3 PRO A 55 2.215 30.720 0.954 1.00 2.40 H new ATOM 789 N ASP A 56 0.523 26.629 1.940 1.00 2.31 N ATOM 790 CA ASP A 56 0.127 25.434 2.676 1.00 42.03 C ATOM 791 C ASP A 56 -1.300 25.027 2.323 1.00 12.03 C ATOM 792 O ASP A 56 -1.542 23.910 1.864 1.00 12.11 O ATOM 793 CB ASP A 56 0.245 25.674 4.182 1.00 63.53 C ATOM 794 CG ASP A 56 0.215 24.383 4.977 1.00 5.32 C ATOM 795 OD1 ASP A 56 0.631 23.340 4.432 1.00 64.45 O ATOM 796 OD2 ASP A 56 -0.223 24.417 6.146 1.00 40.42 O ATOM 0 H ASP A 56 0.457 27.495 2.475 1.00 2.31 H new ATOM 0 HA ASP A 56 0.798 24.623 2.392 1.00 42.03 H new ATOM 0 HB2 ASP A 56 1.174 26.205 4.391 1.00 63.53 H new ATOM 0 HB3 ASP A 56 -0.571 26.318 4.510 1.00 63.53 H new ATOM 801 N CYS A 57 -2.241 25.939 2.542 1.00 61.00 N ATOM 802 CA CYS A 57 -3.645 25.674 2.249 1.00 11.42 C ATOM 803 C CYS A 57 -4.084 26.404 0.984 1.00 44.22 C ATOM 804 O CYS A 57 -5.274 26.617 0.758 1.00 32.43 O ATOM 805 CB CYS A 57 -4.522 26.100 3.428 1.00 72.33 C ATOM 806 SG CYS A 57 -4.405 27.856 3.839 1.00 42.50 S ATOM 0 H CYS A 57 -2.057 26.868 2.921 1.00 61.00 H new ATOM 0 HA CYS A 57 -3.761 24.602 2.087 1.00 11.42 H new ATOM 0 HB2 CYS A 57 -5.560 25.860 3.200 1.00 72.33 H new ATOM 0 HB3 CYS A 57 -4.244 25.514 4.304 1.00 72.33 H new ATOM 0 HG CYS A 57 -3.154 28.198 3.932 1.00 42.50 H new ATOM 812 N GLY A 58 -3.112 26.788 0.161 1.00 61.40 N ATOM 813 CA GLY A 58 -3.418 27.491 -1.071 1.00 4.42 C ATOM 814 C GLY A 58 -4.475 28.561 -0.880 1.00 62.15 C ATOM 815 O GLY A 58 -5.388 28.693 -1.695 1.00 52.23 O ATOM 0 H GLY A 58 -2.119 26.625 0.326 1.00 61.40 H new ATOM 0 HA2 GLY A 58 -2.508 27.948 -1.460 1.00 4.42 H new ATOM 0 HA3 GLY A 58 -3.760 26.776 -1.819 1.00 4.42 H new ATOM 819 N PHE A 59 -4.353 29.326 0.199 1.00 23.34 N ATOM 820 CA PHE A 59 -5.307 30.388 0.496 1.00 71.40 C ATOM 821 C PHE A 59 -4.796 31.734 -0.008 1.00 54.31 C ATOM 822 O PHE A 59 -3.797 32.255 0.486 1.00 11.42 O ATOM 823 CB PHE A 59 -5.570 30.460 2.002 1.00 40.24 C ATOM 824 CG PHE A 59 -6.382 31.655 2.411 1.00 14.23 C ATOM 825 CD1 PHE A 59 -7.640 31.872 1.872 1.00 51.41 C ATOM 826 CD2 PHE A 59 -5.889 32.561 3.336 1.00 3.12 C ATOM 827 CE1 PHE A 59 -8.389 32.972 2.247 1.00 72.33 C ATOM 828 CE2 PHE A 59 -6.634 33.662 3.715 1.00 4.12 C ATOM 829 CZ PHE A 59 -7.886 33.867 3.170 1.00 20.13 C ATOM 0 H PHE A 59 -3.602 29.230 0.883 1.00 23.34 H new ATOM 0 HA PHE A 59 -6.240 30.158 -0.018 1.00 71.40 H new ATOM 0 HB2 PHE A 59 -6.088 29.554 2.316 1.00 40.24 H new ATOM 0 HB3 PHE A 59 -4.616 30.481 2.529 1.00 40.24 H new ATOM 0 HD1 PHE A 59 -8.040 31.174 1.151 1.00 51.41 H new ATOM 0 HD2 PHE A 59 -4.911 32.405 3.766 1.00 3.12 H new ATOM 0 HE1 PHE A 59 -9.367 33.131 1.818 1.00 72.33 H new ATOM 0 HE2 PHE A 59 -6.237 34.361 4.436 1.00 4.12 H new ATOM 0 HZ PHE A 59 -8.471 34.726 3.465 1.00 20.13 H new ATOM 839 N MET A 60 -5.490 32.291 -0.995 1.00 41.45 N ATOM 840 CA MET A 60 -5.107 33.578 -1.567 1.00 34.55 C ATOM 841 C MET A 60 -5.657 34.729 -0.730 1.00 71.33 C ATOM 842 O MET A 60 -6.842 34.760 -0.402 1.00 74.34 O ATOM 843 CB MET A 60 -5.612 33.691 -3.006 1.00 74.02 C ATOM 844 CG MET A 60 -4.745 32.955 -4.014 1.00 72.52 C ATOM 845 SD MET A 60 -5.194 33.328 -5.720 1.00 45.22 S ATOM 846 CE MET A 60 -6.859 32.673 -5.784 1.00 14.32 C ATOM 0 H MET A 60 -6.320 31.872 -1.415 1.00 41.45 H new ATOM 0 HA MET A 60 -4.019 33.639 -1.566 1.00 34.55 H new ATOM 0 HB2 MET A 60 -6.628 33.299 -3.058 1.00 74.02 H new ATOM 0 HB3 MET A 60 -5.663 34.744 -3.283 1.00 74.02 H new ATOM 0 HG2 MET A 60 -3.700 33.220 -3.851 1.00 72.52 H new ATOM 0 HG3 MET A 60 -4.831 31.881 -3.846 1.00 72.52 H new ATOM 0 HE1 MET A 60 -7.188 32.616 -6.822 1.00 14.32 H new ATOM 0 HE2 MET A 60 -6.875 31.676 -5.343 1.00 14.32 H new ATOM 0 HE3 MET A 60 -7.529 33.327 -5.226 1.00 14.32 H new ATOM 856 N GLY A 61 -4.787 35.674 -0.388 1.00 0.12 N ATOM 857 CA GLY A 61 -5.205 36.814 0.408 1.00 64.23 C ATOM 858 C GLY A 61 -4.541 38.103 -0.034 1.00 12.23 C ATOM 859 O GLY A 61 -3.660 38.110 -0.893 1.00 5.30 O ATOM 0 H GLY A 61 -3.801 35.671 -0.648 1.00 0.12 H new ATOM 0 HA2 GLY A 61 -6.287 36.924 0.339 1.00 64.23 H new ATOM 0 HA3 GLY A 61 -4.969 36.628 1.456 1.00 64.23 H new ATOM 863 N PRO A 62 -4.969 39.227 0.561 1.00 61.11 N ATOM 864 CA PRO A 62 -4.424 40.549 0.239 1.00 54.40 C ATOM 865 C PRO A 62 -2.990 40.720 0.727 1.00 11.34 C ATOM 866 O PRO A 62 -2.749 41.313 1.779 1.00 22.21 O ATOM 867 CB PRO A 62 -5.360 41.508 0.980 1.00 4.03 C ATOM 868 CG PRO A 62 -5.913 40.703 2.105 1.00 0.22 C ATOM 869 CD PRO A 62 -6.016 39.293 1.594 1.00 75.13 C ATOM 0 HA PRO A 62 -4.379 40.721 -0.836 1.00 54.40 H new ATOM 0 HB2 PRO A 62 -4.822 42.383 1.346 1.00 4.03 H new ATOM 0 HB3 PRO A 62 -6.153 41.872 0.326 1.00 4.03 H new ATOM 0 HG2 PRO A 62 -5.263 40.755 2.978 1.00 0.22 H new ATOM 0 HG3 PRO A 62 -6.889 41.079 2.411 1.00 0.22 H new ATOM 0 HD2 PRO A 62 -5.845 38.565 2.387 1.00 75.13 H new ATOM 0 HD3 PRO A 62 -7.003 39.087 1.180 1.00 75.13 H new TER 877 PRO A 62