USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 473 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -36:sc= 0.415 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.17) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 150:sc= -5.26! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -176:sc= 0.954 USER MOD Single : A 75 SER OG : rot -95:sc= 1.23 USER MOD Single : A 92 SER OG : rot 180:sc= -0.383 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.759 4.343 -9.197 1.00 0.00 N ATOM 2 CA ALA A 1 -3.521 4.941 -9.764 1.00 0.00 C ATOM 3 C ALA A 1 -3.617 6.464 -9.805 1.00 0.00 C ATOM 4 O ALA A 1 -2.800 7.162 -9.208 1.00 0.00 O ATOM 5 CB ALA A 1 -3.256 4.387 -11.154 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.668 3.307 -9.180 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.902 4.694 -8.228 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.574 4.609 -9.785 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.687 4.674 -9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.347 4.834 -11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.135 3.305 -11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.096 4.624 -11.806 1.00 0.00 H new ATOM 13 N VAL A 2 -4.622 6.975 -10.510 1.00 0.00 N ATOM 14 CA VAL A 2 -4.823 8.417 -10.618 1.00 0.00 C ATOM 15 C VAL A 2 -5.308 8.998 -9.293 1.00 0.00 C ATOM 16 O VAL A 2 -5.918 8.298 -8.493 1.00 0.00 O ATOM 17 CB VAL A 2 -5.842 8.761 -11.720 1.00 0.00 C ATOM 18 CG1 VAL A 2 -5.229 8.561 -13.098 1.00 0.00 C ATOM 19 CG2 VAL A 2 -7.107 7.926 -11.561 1.00 0.00 C ATOM 0 H VAL A 2 -5.309 6.414 -11.014 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.860 8.856 -10.877 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.115 9.812 -11.620 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.965 8.809 -13.863 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.359 9.209 -13.207 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.923 7.521 -13.213 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.815 8.184 -12.349 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.856 6.868 -11.631 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.557 8.129 -10.589 1.00 0.00 H new ATOM 29 N LEU A 3 -5.011 10.275 -9.056 1.00 0.00 N ATOM 30 CA LEU A 3 -5.387 10.949 -7.835 1.00 0.00 C ATOM 31 C LEU A 3 -6.858 11.290 -7.773 1.00 0.00 C ATOM 32 O LEU A 3 -7.568 11.284 -8.779 1.00 0.00 O ATOM 33 CB LEU A 3 -4.610 12.263 -7.711 1.00 0.00 C ATOM 34 CG LEU A 3 -3.385 12.217 -6.809 1.00 0.00 C ATOM 35 CD1 LEU A 3 -3.551 11.116 -5.797 1.00 0.00 C ATOM 36 CD2 LEU A 3 -2.116 12.009 -7.620 1.00 0.00 C ATOM 0 H LEU A 3 -4.501 10.865 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.156 10.258 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.295 12.574 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.287 13.031 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.293 13.172 -6.292 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.675 11.081 -5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.439 11.306 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.660 10.162 -6.312 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.257 11.980 -6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.183 11.068 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.997 12.830 -8.327 1.00 0.00 H new ATOM 48 N ASP A 4 -7.287 11.638 -6.567 1.00 0.00 N ATOM 49 CA ASP A 4 -8.640 12.041 -6.331 1.00 0.00 C ATOM 50 C ASP A 4 -8.776 13.518 -6.713 1.00 0.00 C ATOM 51 O ASP A 4 -8.245 13.938 -7.740 1.00 0.00 O ATOM 52 CB ASP A 4 -9.017 11.797 -4.865 1.00 0.00 C ATOM 53 CG ASP A 4 -10.514 11.660 -4.664 1.00 0.00 C ATOM 54 OD1 ASP A 4 -11.267 12.478 -5.233 1.00 0.00 O ATOM 55 OD2 ASP A 4 -10.933 10.736 -3.934 1.00 0.00 O ATOM 0 H ASP A 4 -6.697 11.644 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.326 11.453 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -8.522 10.892 -4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.646 12.621 -4.256 1.00 0.00 H new ATOM 60 N LEU A 5 -9.455 14.310 -5.892 1.00 0.00 N ATOM 61 CA LEU A 5 -9.611 15.710 -6.151 1.00 0.00 C ATOM 62 C LEU A 5 -8.527 16.484 -5.404 1.00 0.00 C ATOM 63 O LEU A 5 -7.342 16.183 -5.552 1.00 0.00 O ATOM 64 CB LEU A 5 -11.031 16.124 -5.765 1.00 0.00 C ATOM 65 CG LEU A 5 -11.537 15.615 -4.408 1.00 0.00 C ATOM 66 CD1 LEU A 5 -11.528 16.723 -3.386 1.00 0.00 C ATOM 67 CD2 LEU A 5 -12.938 15.037 -4.540 1.00 0.00 C ATOM 0 H LEU A 5 -9.906 13.988 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.485 15.939 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.083 17.213 -5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.713 15.773 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.864 14.826 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.890 16.341 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.512 17.098 -3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.176 17.533 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.278 14.682 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.617 15.809 -4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.924 14.206 -5.245 1.00 0.00 H new ATOM 79 N ASP A 6 -8.912 17.446 -4.574 1.00 0.00 N ATOM 80 CA ASP A 6 -7.941 18.188 -3.806 1.00 0.00 C ATOM 81 C ASP A 6 -7.414 17.288 -2.706 1.00 0.00 C ATOM 82 O ASP A 6 -6.206 17.151 -2.512 1.00 0.00 O ATOM 83 CB ASP A 6 -8.561 19.457 -3.216 1.00 0.00 C ATOM 84 CG ASP A 6 -7.656 20.664 -3.362 1.00 0.00 C ATOM 85 OD1 ASP A 6 -6.441 20.530 -3.104 1.00 0.00 O ATOM 86 OD2 ASP A 6 -8.161 21.745 -3.733 1.00 0.00 O ATOM 0 H ASP A 6 -9.882 17.723 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.123 18.500 -4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.512 19.657 -3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.778 19.295 -2.160 1.00 0.00 H new ATOM 91 N VAL A 7 -8.342 16.647 -2.022 1.00 0.00 N ATOM 92 CA VAL A 7 -8.008 15.718 -0.966 1.00 0.00 C ATOM 93 C VAL A 7 -7.782 14.316 -1.526 1.00 0.00 C ATOM 94 O VAL A 7 -8.697 13.493 -1.566 1.00 0.00 O ATOM 95 CB VAL A 7 -9.090 15.646 0.132 1.00 0.00 C ATOM 96 CG1 VAL A 7 -9.155 16.950 0.913 1.00 0.00 C ATOM 97 CG2 VAL A 7 -10.450 15.297 -0.454 1.00 0.00 C ATOM 0 H VAL A 7 -9.343 16.756 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.090 16.095 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.812 14.849 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.925 16.876 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.190 17.141 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.397 17.769 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -11.190 15.254 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.741 16.059 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.395 14.328 -0.950 1.00 0.00 H new ATOM 107 N ARG A 8 -6.560 14.062 -1.965 1.00 0.00 N ATOM 108 CA ARG A 8 -6.176 12.800 -2.529 1.00 0.00 C ATOM 109 C ARG A 8 -6.018 11.731 -1.450 1.00 0.00 C ATOM 110 O ARG A 8 -6.496 11.893 -0.328 1.00 0.00 O ATOM 111 CB ARG A 8 -4.866 13.019 -3.275 1.00 0.00 C ATOM 112 CG ARG A 8 -5.014 13.918 -4.480 1.00 0.00 C ATOM 113 CD ARG A 8 -3.752 14.715 -4.712 1.00 0.00 C ATOM 114 NE ARG A 8 -3.805 15.452 -5.972 1.00 0.00 N ATOM 115 CZ ARG A 8 -3.010 16.473 -6.278 1.00 0.00 C ATOM 116 NH1 ARG A 8 -2.075 16.876 -5.427 1.00 0.00 N ATOM 117 NH2 ARG A 8 -3.150 17.090 -7.443 1.00 0.00 N ATOM 0 H ARG A 8 -5.803 14.745 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.950 12.440 -3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.135 13.453 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.471 12.055 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.238 13.318 -5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.855 14.595 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.605 15.413 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.893 14.044 -4.718 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.498 15.164 -6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.962 16.402 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.469 17.660 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.866 16.781 -8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.542 17.874 -7.681 1.00 0.00 H new ATOM 131 N THR A 9 -5.338 10.647 -1.808 1.00 0.00 N ATOM 132 CA THR A 9 -5.086 9.536 -0.913 1.00 0.00 C ATOM 133 C THR A 9 -6.301 9.178 -0.058 1.00 0.00 C ATOM 134 O THR A 9 -6.621 9.858 0.917 1.00 0.00 O ATOM 135 CB THR A 9 -3.857 9.817 -0.061 1.00 0.00 C ATOM 136 OG1 THR A 9 -4.201 10.115 1.281 1.00 0.00 O ATOM 137 CG2 THR A 9 -2.997 10.943 -0.593 1.00 0.00 C ATOM 0 H THR A 9 -4.944 10.519 -2.740 1.00 0.00 H new ATOM 0 HA THR A 9 -4.888 8.658 -1.527 1.00 0.00 H new ATOM 0 HB THR A 9 -3.279 8.894 -0.104 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.040 10.621 1.299 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.139 11.088 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.648 10.692 -1.595 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.583 11.861 -0.632 1.00 0.00 H new ATOM 145 N CYS A 10 -6.974 8.097 -0.447 1.00 0.00 N ATOM 146 CA CYS A 10 -8.163 7.629 0.257 1.00 0.00 C ATOM 147 C CYS A 10 -7.842 7.200 1.689 1.00 0.00 C ATOM 148 O CYS A 10 -8.029 7.972 2.629 1.00 0.00 O ATOM 149 CB CYS A 10 -8.803 6.465 -0.504 1.00 0.00 C ATOM 150 SG CYS A 10 -10.012 6.971 -1.771 1.00 0.00 S ATOM 0 H CYS A 10 -6.713 7.527 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 10 -8.865 8.462 0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.016 5.882 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.297 5.807 0.211 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.493 5.915 -2.358 1.00 0.00 H new ATOM 174 N PRO A 12 -4.790 6.148 3.807 1.00 0.00 N ATOM 175 CA PRO A 12 -3.349 5.997 4.000 1.00 0.00 C ATOM 176 C PRO A 12 -2.992 5.036 5.125 1.00 0.00 C ATOM 177 O PRO A 12 -3.863 4.418 5.741 1.00 0.00 O ATOM 178 CB PRO A 12 -2.854 7.401 4.359 1.00 0.00 C ATOM 179 CG PRO A 12 -4.002 8.324 4.146 1.00 0.00 C ATOM 180 CD PRO A 12 -5.256 7.489 4.187 1.00 0.00 C ATOM 0 HA PRO A 12 -2.892 5.582 3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.513 7.439 5.394 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.007 7.685 3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.026 9.093 4.918 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.912 8.836 3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.707 7.491 5.179 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.010 7.863 3.494 1.00 0.00 H new ATOM 188 N CYS A 13 -1.692 4.937 5.393 1.00 0.00 N ATOM 189 CA CYS A 13 -1.181 4.070 6.426 1.00 0.00 C ATOM 190 C CYS A 13 0.187 4.545 6.902 1.00 0.00 C ATOM 191 O CYS A 13 0.659 5.611 6.505 1.00 0.00 O ATOM 192 CB CYS A 13 -1.089 2.643 5.899 1.00 0.00 C ATOM 193 SG CYS A 13 -1.118 1.352 7.173 1.00 0.00 S ATOM 0 H CYS A 13 -0.972 5.460 4.895 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.864 4.097 7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.917 2.472 5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.169 2.543 5.323 1.00 0.00 H new ATOM 198 N GLY A 14 0.830 3.741 7.740 1.00 0.00 N ATOM 199 CA GLY A 14 2.141 4.087 8.231 1.00 0.00 C ATOM 200 C GLY A 14 2.187 5.416 8.954 1.00 0.00 C ATOM 201 O GLY A 14 1.301 5.743 9.744 1.00 0.00 O ATOM 0 H GLY A 14 0.462 2.855 8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.485 3.304 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.838 4.114 7.393 1.00 0.00 H new ATOM 205 N PRO A 15 3.251 6.180 8.712 1.00 0.00 N ATOM 206 CA PRO A 15 3.494 7.475 9.337 1.00 0.00 C ATOM 207 C PRO A 15 2.874 8.634 8.555 1.00 0.00 C ATOM 208 O PRO A 15 3.448 9.113 7.577 1.00 0.00 O ATOM 209 CB PRO A 15 5.016 7.521 9.289 1.00 0.00 C ATOM 210 CG PRO A 15 5.333 6.930 7.968 1.00 0.00 C ATOM 211 CD PRO A 15 4.351 5.805 7.811 1.00 0.00 C ATOM 0 HA PRO A 15 3.057 7.577 10.330 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.391 8.541 9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.462 6.949 10.103 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.226 7.664 7.169 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.360 6.567 7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.011 5.711 6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.790 4.847 8.091 1.00 0.00 H new ATOM 219 N GLY A 16 1.696 9.075 8.994 1.00 0.00 N ATOM 220 CA GLY A 16 1.012 10.169 8.324 1.00 0.00 C ATOM 221 C GLY A 16 0.039 9.675 7.269 1.00 0.00 C ATOM 222 O GLY A 16 -1.175 9.692 7.472 1.00 0.00 O ATOM 0 H GLY A 16 1.204 8.694 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.474 10.765 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.748 10.825 7.859 1.00 0.00 H new ATOM 226 N GLY A 17 0.583 9.208 6.152 1.00 0.00 N ATOM 227 CA GLY A 17 -0.223 8.680 5.076 1.00 0.00 C ATOM 228 C GLY A 17 0.618 8.245 3.907 1.00 0.00 C ATOM 229 O GLY A 17 0.222 8.363 2.747 1.00 0.00 O ATOM 0 H GLY A 17 1.587 9.188 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.805 7.833 5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.934 9.438 4.749 1.00 0.00 H new ATOM 233 N LYS A 18 1.787 7.744 4.238 1.00 0.00 N ATOM 234 CA LYS A 18 2.741 7.272 3.273 1.00 0.00 C ATOM 235 C LYS A 18 2.275 5.963 2.671 1.00 0.00 C ATOM 236 O LYS A 18 2.435 5.708 1.477 1.00 0.00 O ATOM 237 CB LYS A 18 4.080 7.092 3.977 1.00 0.00 C ATOM 238 CG LYS A 18 5.026 8.261 3.838 1.00 0.00 C ATOM 239 CD LYS A 18 4.265 9.556 3.725 1.00 0.00 C ATOM 240 CE LYS A 18 5.195 10.753 3.626 1.00 0.00 C ATOM 241 NZ LYS A 18 5.471 11.124 2.210 1.00 0.00 N ATOM 0 H LYS A 18 2.102 7.654 5.204 1.00 0.00 H new ATOM 0 HA LYS A 18 2.843 7.993 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.897 6.914 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.566 6.200 3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.692 8.300 4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.653 8.124 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.621 9.523 2.846 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.615 9.672 4.592 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.750 11.603 4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.134 10.527 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.096 11.955 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.934 10.328 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.576 11.348 1.729 1.00 0.00 H new ATOM 255 N GLY A 19 1.684 5.152 3.521 1.00 0.00 N ATOM 256 CA GLY A 19 1.166 3.877 3.111 1.00 0.00 C ATOM 257 C GLY A 19 -0.347 3.877 3.057 1.00 0.00 C ATOM 258 O GLY A 19 -0.975 4.930 3.131 1.00 0.00 O ATOM 0 H GLY A 19 1.552 5.362 4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.565 3.621 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.505 3.107 3.804 1.00 0.00 H new ATOM 262 N ARG A 20 -0.928 2.698 2.929 1.00 0.00 N ATOM 263 CA ARG A 20 -2.365 2.549 2.863 1.00 0.00 C ATOM 264 C ARG A 20 -2.741 1.102 3.154 1.00 0.00 C ATOM 265 O ARG A 20 -1.866 0.266 3.374 1.00 0.00 O ATOM 266 CB ARG A 20 -2.866 2.976 1.489 1.00 0.00 C ATOM 267 CG ARG A 20 -2.483 2.020 0.386 1.00 0.00 C ATOM 268 CD ARG A 20 -3.675 1.688 -0.489 1.00 0.00 C ATOM 269 NE ARG A 20 -3.617 2.375 -1.777 1.00 0.00 N ATOM 270 CZ ARG A 20 -4.162 1.905 -2.897 1.00 0.00 C ATOM 271 NH1 ARG A 20 -4.808 0.745 -2.900 1.00 0.00 N ATOM 272 NH2 ARG A 20 -4.060 2.600 -4.022 1.00 0.00 N ATOM 0 H ARG A 20 -0.415 1.819 2.868 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.835 3.187 3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.952 3.068 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.469 3.964 1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.693 2.460 -0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.080 1.104 0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.715 0.611 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.593 1.965 0.029 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.129 3.270 -1.821 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.890 0.205 -2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.222 0.394 -3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.565 3.492 -4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.476 2.243 -4.882 1.00 0.00 H new ATOM 286 N CYS A 21 -4.027 0.797 3.116 1.00 0.00 N ATOM 287 CA CYS A 21 -4.477 -0.564 3.338 1.00 0.00 C ATOM 288 C CYS A 21 -4.251 -1.373 2.070 1.00 0.00 C ATOM 289 O CYS A 21 -4.293 -0.820 0.971 1.00 0.00 O ATOM 290 CB CYS A 21 -5.948 -0.560 3.705 1.00 0.00 C ATOM 291 SG CYS A 21 -6.273 -0.376 5.487 1.00 0.00 S ATOM 0 H CYS A 21 -4.772 1.469 2.935 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.915 -1.014 4.157 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.442 0.252 3.171 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.400 -1.490 3.359 1.00 0.00 H new ATOM 296 N PHE A 22 -3.980 -2.667 2.206 1.00 0.00 N ATOM 297 CA PHE A 22 -3.714 -3.488 1.028 1.00 0.00 C ATOM 298 C PHE A 22 -4.561 -4.756 0.957 1.00 0.00 C ATOM 299 O PHE A 22 -4.716 -5.327 -0.123 1.00 0.00 O ATOM 300 CB PHE A 22 -2.232 -3.836 0.980 1.00 0.00 C ATOM 301 CG PHE A 22 -1.397 -2.690 0.526 1.00 0.00 C ATOM 302 CD1 PHE A 22 -1.296 -1.548 1.299 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.728 -2.745 -0.675 1.00 0.00 C ATOM 304 CE1 PHE A 22 -0.537 -0.480 0.874 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.031 -1.683 -1.104 1.00 0.00 C ATOM 306 CZ PHE A 22 0.128 -0.547 -0.331 1.00 0.00 C ATOM 0 H PHE A 22 -3.939 -3.162 3.097 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.996 -2.895 0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.903 -4.153 1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.081 -4.681 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.816 -1.493 2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.800 -3.632 -1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.463 0.408 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.552 -1.739 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.723 0.289 -0.668 1.00 0.00 H new ATOM 316 N GLY A 23 -5.121 -5.201 2.078 1.00 0.00 N ATOM 317 CA GLY A 23 -5.937 -6.401 2.029 1.00 0.00 C ATOM 318 C GLY A 23 -6.326 -6.964 3.387 1.00 0.00 C ATOM 319 O GLY A 23 -7.239 -6.451 4.034 1.00 0.00 O ATOM 0 H GLY A 23 -5.029 -4.766 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.846 -6.183 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.397 -7.168 1.475 1.00 0.00 H new ATOM 323 N PRO A 24 -5.679 -8.064 3.824 1.00 0.00 N ATOM 324 CA PRO A 24 -5.983 -8.735 5.080 1.00 0.00 C ATOM 325 C PRO A 24 -4.991 -8.409 6.187 1.00 0.00 C ATOM 326 O PRO A 24 -3.851 -8.872 6.157 1.00 0.00 O ATOM 327 CB PRO A 24 -5.832 -10.191 4.659 1.00 0.00 C ATOM 328 CG PRO A 24 -4.675 -10.179 3.708 1.00 0.00 C ATOM 329 CD PRO A 24 -4.613 -8.787 3.110 1.00 0.00 C ATOM 0 HA PRO A 24 -6.950 -8.452 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.637 -10.835 5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.738 -10.563 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.746 -10.419 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.808 -10.929 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.638 -8.325 3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.789 -8.803 2.034 1.00 0.00 H new ATOM 337 N SER A 25 -5.413 -7.609 7.165 1.00 0.00 N ATOM 338 CA SER A 25 -4.525 -7.240 8.266 1.00 0.00 C ATOM 339 C SER A 25 -3.214 -6.706 7.724 1.00 0.00 C ATOM 340 O SER A 25 -2.183 -6.768 8.394 1.00 0.00 O ATOM 341 CB SER A 25 -4.219 -8.462 9.131 1.00 0.00 C ATOM 342 OG SER A 25 -4.139 -8.114 10.504 1.00 0.00 O ATOM 0 H SER A 25 -6.350 -7.209 7.218 1.00 0.00 H new ATOM 0 HA SER A 25 -5.025 -6.476 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.995 -9.214 8.989 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.278 -8.910 8.812 1.00 0.00 H new ATOM 0 HG SER A 25 -3.944 -8.915 11.034 1.00 0.00 H new ATOM 348 N ILE A 26 -3.242 -6.232 6.493 1.00 0.00 N ATOM 349 CA ILE A 26 -2.041 -5.758 5.855 1.00 0.00 C ATOM 350 C ILE A 26 -2.075 -4.264 5.555 1.00 0.00 C ATOM 351 O ILE A 26 -3.132 -3.644 5.419 1.00 0.00 O ATOM 352 CB ILE A 26 -1.798 -6.546 4.557 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.317 -6.796 4.328 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.385 -5.811 3.375 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.073 -7.842 3.259 1.00 0.00 C ATOM 0 H ILE A 26 -4.084 -6.167 5.921 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.222 -5.921 6.556 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.293 -7.511 4.660 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.167 -5.863 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.144 -7.118 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.204 -6.383 2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.458 -5.689 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.917 -4.831 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.000 -7.987 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.533 -8.783 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.510 -7.509 2.318 1.00 0.00 H new ATOM 367 N CYS A 27 -0.878 -3.729 5.431 1.00 0.00 N ATOM 368 CA CYS A 27 -0.631 -2.340 5.125 1.00 0.00 C ATOM 369 C CYS A 27 0.791 -2.238 4.597 1.00 0.00 C ATOM 370 O CYS A 27 1.689 -2.909 5.112 1.00 0.00 O ATOM 371 CB CYS A 27 -0.788 -1.509 6.369 1.00 0.00 C ATOM 372 SG CYS A 27 -2.031 -0.195 6.246 1.00 0.00 S ATOM 0 H CYS A 27 -0.022 -4.271 5.545 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.339 -1.972 4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.053 -2.166 7.198 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.174 -1.059 6.614 1.00 0.00 H new ATOM 377 N CYS A 28 1.014 -1.452 3.568 1.00 0.00 N ATOM 378 CA CYS A 28 2.307 -1.369 3.009 1.00 0.00 C ATOM 379 C CYS A 28 2.576 -0.014 2.398 1.00 0.00 C ATOM 380 O CYS A 28 1.794 0.471 1.580 1.00 0.00 O ATOM 381 CB CYS A 28 2.397 -2.444 1.970 1.00 0.00 C ATOM 382 SG CYS A 28 2.741 -4.101 2.641 1.00 0.00 S ATOM 0 H CYS A 28 0.308 -0.871 3.116 1.00 0.00 H new ATOM 0 HA CYS A 28 3.059 -1.503 3.787 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.460 -2.476 1.414 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.180 -2.182 1.259 1.00 0.00 H new ATOM 387 N GLY A 29 3.679 0.600 2.771 1.00 0.00 N ATOM 388 CA GLY A 29 4.011 1.848 2.213 1.00 0.00 C ATOM 389 C GLY A 29 5.168 1.681 1.244 1.00 0.00 C ATOM 390 O GLY A 29 6.179 1.090 1.617 1.00 0.00 O ATOM 0 H GLY A 29 4.343 0.240 3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.148 2.268 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.282 2.550 3.002 1.00 0.00 H new ATOM 394 N ASP A 30 5.040 2.143 -0.004 1.00 0.00 N ATOM 395 CA ASP A 30 6.119 1.974 -0.975 1.00 0.00 C ATOM 396 C ASP A 30 7.365 2.650 -0.440 1.00 0.00 C ATOM 397 O ASP A 30 8.376 2.001 -0.172 1.00 0.00 O ATOM 398 CB ASP A 30 5.729 2.581 -2.322 1.00 0.00 C ATOM 399 CG ASP A 30 6.734 2.260 -3.411 1.00 0.00 C ATOM 400 OD1 ASP A 30 7.383 1.197 -3.324 1.00 0.00 O ATOM 401 OD2 ASP A 30 6.870 3.071 -4.351 1.00 0.00 O ATOM 0 H ASP A 30 4.215 2.628 -0.358 1.00 0.00 H new ATOM 0 HA ASP A 30 6.309 0.911 -1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.748 2.208 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.642 3.663 -2.219 1.00 0.00 H new ATOM 406 N GLU A 31 7.251 3.938 -0.206 1.00 0.00 N ATOM 407 CA GLU A 31 8.317 4.702 0.390 1.00 0.00 C ATOM 408 C GLU A 31 8.281 4.494 1.904 1.00 0.00 C ATOM 409 O GLU A 31 8.828 5.290 2.667 1.00 0.00 O ATOM 410 CB GLU A 31 8.103 6.176 0.085 1.00 0.00 C ATOM 411 CG GLU A 31 6.771 6.695 0.612 1.00 0.00 C ATOM 412 CD GLU A 31 6.881 8.106 1.150 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.787 8.357 1.972 1.00 0.00 O ATOM 414 OE2 GLU A 31 6.062 8.959 0.751 1.00 0.00 O ATOM 0 H GLU A 31 6.417 4.482 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 31 9.278 4.380 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.914 6.756 0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.148 6.331 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.031 6.669 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.412 6.034 1.401 1.00 0.00 H new ATOM 421 N LEU A 32 7.544 3.466 2.323 1.00 0.00 N ATOM 422 CA LEU A 32 7.319 3.192 3.727 1.00 0.00 C ATOM 423 C LEU A 32 7.267 1.686 4.020 1.00 0.00 C ATOM 424 O LEU A 32 6.582 1.234 4.933 1.00 0.00 O ATOM 425 CB LEU A 32 6.012 3.900 4.062 1.00 0.00 C ATOM 426 CG LEU A 32 5.458 3.788 5.467 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.322 2.801 5.444 1.00 0.00 C ATOM 428 CD2 LEU A 32 6.523 3.419 6.500 1.00 0.00 C ATOM 0 H LEU A 32 7.090 2.805 1.693 1.00 0.00 H new ATOM 0 HA LEU A 32 8.137 3.556 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.146 4.960 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.250 3.528 3.377 1.00 0.00 H new ATOM 0 HG LEU A 32 5.093 4.765 5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.905 2.702 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.548 3.153 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.689 1.832 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.065 3.354 7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.964 2.457 6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.300 4.183 6.510 1.00 0.00 H new ATOM 440 N GLY A 33 8.020 0.920 3.242 1.00 0.00 N ATOM 441 CA GLY A 33 8.092 -0.523 3.429 1.00 0.00 C ATOM 442 C GLY A 33 6.751 -1.209 3.641 1.00 0.00 C ATOM 443 O GLY A 33 5.701 -0.567 3.701 1.00 0.00 O ATOM 0 H GLY A 33 8.590 1.274 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.575 -0.964 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.730 -0.732 4.287 1.00 0.00 H new ATOM 447 N CYS A 34 6.802 -2.537 3.721 1.00 0.00 N ATOM 448 CA CYS A 34 5.610 -3.351 3.887 1.00 0.00 C ATOM 449 C CYS A 34 5.402 -3.794 5.329 1.00 0.00 C ATOM 450 O CYS A 34 6.331 -4.265 5.982 1.00 0.00 O ATOM 451 CB CYS A 34 5.710 -4.573 2.984 1.00 0.00 C ATOM 452 SG CYS A 34 4.435 -4.661 1.690 1.00 0.00 S ATOM 0 H CYS A 34 7.669 -3.073 3.672 1.00 0.00 H new ATOM 0 HA CYS A 34 4.751 -2.740 3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.692 -4.580 2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.647 -5.470 3.600 1.00 0.00 H new ATOM 457 N PHE A 35 4.167 -3.669 5.811 1.00 0.00 N ATOM 458 CA PHE A 35 3.831 -4.092 7.172 1.00 0.00 C ATOM 459 C PHE A 35 2.579 -4.964 7.191 1.00 0.00 C ATOM 460 O PHE A 35 1.464 -4.446 7.152 1.00 0.00 O ATOM 461 CB PHE A 35 3.589 -2.888 8.077 1.00 0.00 C ATOM 462 CG PHE A 35 4.630 -1.818 7.982 1.00 0.00 C ATOM 463 CD1 PHE A 35 5.890 -1.989 8.531 1.00 0.00 C ATOM 464 CD2 PHE A 35 4.339 -0.634 7.347 1.00 0.00 C ATOM 465 CE1 PHE A 35 6.836 -0.987 8.439 1.00 0.00 C ATOM 466 CE2 PHE A 35 5.275 0.362 7.258 1.00 0.00 C ATOM 467 CZ PHE A 35 6.519 0.193 7.797 1.00 0.00 C ATOM 0 H PHE A 35 3.385 -3.281 5.284 1.00 0.00 H new ATOM 0 HA PHE A 35 4.681 -4.667 7.539 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.619 -2.455 7.832 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.533 -3.232 9.110 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.135 -2.913 9.035 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.361 -0.487 6.913 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.818 -1.126 8.867 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.028 1.287 6.758 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.253 0.981 7.721 1.00 0.00 H new ATOM 477 N VAL A 36 2.747 -6.277 7.304 1.00 0.00 N ATOM 478 CA VAL A 36 1.594 -7.164 7.376 1.00 0.00 C ATOM 479 C VAL A 36 1.283 -7.502 8.818 1.00 0.00 C ATOM 480 O VAL A 36 2.001 -8.263 9.464 1.00 0.00 O ATOM 481 CB VAL A 36 1.786 -8.478 6.600 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.439 -9.180 6.398 1.00 0.00 C ATOM 483 CG2 VAL A 36 2.486 -8.225 5.272 1.00 0.00 C ATOM 0 H VAL A 36 3.653 -6.743 7.347 1.00 0.00 H new ATOM 0 HA VAL A 36 0.770 -6.621 6.914 1.00 0.00 H new ATOM 0 HB VAL A 36 2.425 -9.138 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.591 -10.108 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.005 -9.402 7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.229 -8.529 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.611 -9.169 4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.885 -7.545 4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.464 -7.780 5.455 1.00 0.00 H new ATOM 493 N GLY A 37 0.202 -6.926 9.312 1.00 0.00 N ATOM 494 CA GLY A 37 -0.209 -7.168 10.684 1.00 0.00 C ATOM 495 C GLY A 37 0.686 -6.489 11.712 1.00 0.00 C ATOM 496 O GLY A 37 0.451 -6.614 12.914 1.00 0.00 O ATOM 0 H GLY A 37 -0.403 -6.293 8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.233 -6.817 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.214 -8.242 10.870 1.00 0.00 H new ATOM 500 N THR A 38 1.713 -5.772 11.252 1.00 0.00 N ATOM 501 CA THR A 38 2.621 -5.080 12.164 1.00 0.00 C ATOM 502 C THR A 38 1.912 -3.907 12.823 1.00 0.00 C ATOM 503 O THR A 38 0.695 -3.759 12.710 1.00 0.00 O ATOM 504 CB THR A 38 3.862 -4.556 11.429 1.00 0.00 C ATOM 505 OG1 THR A 38 3.582 -3.311 10.819 1.00 0.00 O ATOM 506 CG2 THR A 38 4.394 -5.490 10.359 1.00 0.00 C ATOM 0 H THR A 38 1.934 -5.657 10.263 1.00 0.00 H new ATOM 0 HA THR A 38 2.935 -5.801 12.919 1.00 0.00 H new ATOM 0 HB THR A 38 4.629 -4.466 12.198 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.401 -2.773 10.782 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.271 -5.044 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.670 -6.442 10.812 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.624 -5.656 9.606 1.00 0.00 H new ATOM 514 N ALA A 39 2.685 -3.054 13.485 1.00 0.00 N ATOM 515 CA ALA A 39 2.131 -1.878 14.133 1.00 0.00 C ATOM 516 C ALA A 39 1.817 -0.802 13.099 1.00 0.00 C ATOM 517 O ALA A 39 0.796 -0.129 13.180 1.00 0.00 O ATOM 518 CB ALA A 39 3.090 -1.350 15.188 1.00 0.00 C ATOM 0 H ALA A 39 3.695 -3.157 13.585 1.00 0.00 H new ATOM 0 HA ALA A 39 1.202 -2.158 14.629 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.659 -0.469 15.663 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.263 -2.120 15.940 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.036 -1.082 14.718 1.00 0.00 H new ATOM 524 N GLU A 40 2.693 -0.662 12.109 1.00 0.00 N ATOM 525 CA GLU A 40 2.496 0.319 11.045 1.00 0.00 C ATOM 526 C GLU A 40 1.413 -0.137 10.061 1.00 0.00 C ATOM 527 O GLU A 40 1.224 0.479 9.012 1.00 0.00 O ATOM 528 CB GLU A 40 3.810 0.554 10.304 1.00 0.00 C ATOM 529 CG GLU A 40 4.494 1.863 10.665 1.00 0.00 C ATOM 530 CD GLU A 40 5.394 1.738 11.878 1.00 0.00 C ATOM 531 OE1 GLU A 40 5.983 0.654 12.071 1.00 0.00 O ATOM 532 OE2 GLU A 40 5.511 2.725 12.634 1.00 0.00 O ATOM 0 H GLU A 40 3.546 -1.215 12.020 1.00 0.00 H new ATOM 0 HA GLU A 40 2.165 1.252 11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.489 -0.271 10.518 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.619 0.539 9.231 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.083 2.207 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.737 2.623 10.856 1.00 0.00 H new ATOM 539 N ALA A 41 0.727 -1.235 10.383 1.00 0.00 N ATOM 540 CA ALA A 41 -0.305 -1.772 9.505 1.00 0.00 C ATOM 541 C ALA A 41 -1.707 -1.665 10.103 1.00 0.00 C ATOM 542 O ALA A 41 -2.702 -1.720 9.379 1.00 0.00 O ATOM 543 CB ALA A 41 0.003 -3.221 9.193 1.00 0.00 C ATOM 0 H ALA A 41 0.869 -1.765 11.243 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.298 -1.173 8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.768 -3.624 8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.972 -3.289 8.699 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.027 -3.795 10.119 1.00 0.00 H new ATOM 549 N LEU A 42 -1.785 -1.533 11.422 1.00 0.00 N ATOM 550 CA LEU A 42 -3.069 -1.442 12.116 1.00 0.00 C ATOM 551 C LEU A 42 -4.002 -0.385 11.524 1.00 0.00 C ATOM 552 O LEU A 42 -5.196 -0.388 11.815 1.00 0.00 O ATOM 553 CB LEU A 42 -2.865 -1.168 13.612 1.00 0.00 C ATOM 554 CG LEU A 42 -1.837 -0.085 13.976 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.555 0.840 12.801 1.00 0.00 C ATOM 556 CD2 LEU A 42 -2.311 0.716 15.182 1.00 0.00 C ATOM 0 H LEU A 42 -0.972 -1.486 12.036 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.550 -2.411 11.980 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.826 -0.884 14.041 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.564 -2.099 14.092 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.904 -0.588 14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.824 1.592 13.097 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.161 0.259 11.967 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.478 1.332 12.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.571 1.478 15.426 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.262 1.195 14.950 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.439 0.049 16.034 1.00 0.00 H new ATOM 568 N ARG A 43 -3.474 0.512 10.697 1.00 0.00 N ATOM 569 CA ARG A 43 -4.290 1.563 10.090 1.00 0.00 C ATOM 570 C ARG A 43 -5.572 1.017 9.470 1.00 0.00 C ATOM 571 O ARG A 43 -6.535 1.759 9.271 1.00 0.00 O ATOM 572 CB ARG A 43 -3.485 2.313 9.043 1.00 0.00 C ATOM 573 CG ARG A 43 -3.342 3.790 9.355 1.00 0.00 C ATOM 574 CD ARG A 43 -2.651 4.003 10.692 1.00 0.00 C ATOM 575 NE ARG A 43 -1.577 4.990 10.601 1.00 0.00 N ATOM 576 CZ ARG A 43 -1.499 6.082 11.360 1.00 0.00 C ATOM 577 NH1 ARG A 43 -2.429 6.339 12.274 1.00 0.00 N ATOM 578 NH2 ARG A 43 -0.485 6.921 11.205 1.00 0.00 N ATOM 0 H ARG A 43 -2.489 0.534 10.431 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.580 2.246 10.888 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.494 1.866 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.965 2.197 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.771 4.278 8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.326 4.258 9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.383 4.330 11.430 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.244 3.055 11.045 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.841 4.833 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.212 5.697 12.399 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.360 7.178 12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.233 6.730 10.506 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.422 7.758 11.785 1.00 0.00 H new ATOM 592 N CYS A 44 -5.587 -0.273 9.166 1.00 0.00 N ATOM 593 CA CYS A 44 -6.760 -0.888 8.578 1.00 0.00 C ATOM 594 C CYS A 44 -7.859 -1.078 9.611 1.00 0.00 C ATOM 595 O CYS A 44 -8.965 -1.492 9.271 1.00 0.00 O ATOM 596 CB CYS A 44 -6.405 -2.211 7.907 1.00 0.00 C ATOM 597 SG CYS A 44 -6.742 -2.252 6.113 1.00 0.00 S ATOM 0 H CYS A 44 -4.803 -0.908 9.317 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.139 -0.213 7.811 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.347 -2.417 8.072 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.965 -3.012 8.389 1.00 0.00 H new ATOM 804 N LYS A 59 1.257 0.404 -7.420 1.00 0.00 N ATOM 805 CA LYS A 59 1.668 0.480 -8.803 1.00 0.00 C ATOM 806 C LYS A 59 1.786 -0.925 -9.389 1.00 0.00 C ATOM 807 O LYS A 59 2.715 -1.655 -9.054 1.00 0.00 O ATOM 808 CB LYS A 59 2.997 1.219 -8.911 1.00 0.00 C ATOM 809 CG LYS A 59 3.241 1.833 -10.276 1.00 0.00 C ATOM 810 CD LYS A 59 4.293 2.926 -10.206 1.00 0.00 C ATOM 811 CE LYS A 59 3.707 4.286 -10.547 1.00 0.00 C ATOM 812 NZ LYS A 59 4.649 5.393 -10.225 1.00 0.00 N ATOM 0 HA LYS A 59 0.918 1.031 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.028 2.006 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.808 0.527 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.562 1.059 -10.974 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.310 2.245 -10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.723 2.955 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.105 2.695 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.458 4.318 -11.608 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.777 4.429 -9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.212 6.304 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.867 5.378 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.527 5.271 -10.769 1.00 0.00 H new ATOM 826 N PRO A 60 0.836 -1.347 -10.236 1.00 0.00 N ATOM 827 CA PRO A 60 0.832 -2.689 -10.815 1.00 0.00 C ATOM 828 C PRO A 60 2.199 -3.242 -11.211 1.00 0.00 C ATOM 829 O PRO A 60 3.133 -2.499 -11.512 1.00 0.00 O ATOM 830 CB PRO A 60 -0.064 -2.524 -12.035 1.00 0.00 C ATOM 831 CG PRO A 60 -1.070 -1.516 -11.604 1.00 0.00 C ATOM 832 CD PRO A 60 -0.346 -0.573 -10.673 1.00 0.00 C ATOM 0 HA PRO A 60 0.491 -3.421 -10.083 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.500 -2.180 -12.902 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -0.536 -3.466 -12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.477 -0.981 -12.462 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.909 -1.994 -11.099 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.056 0.347 -11.181 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.972 -0.287 -9.828 1.00 0.00 H new ATOM 840 N CYS A 61 2.273 -4.577 -11.228 1.00 0.00 N ATOM 841 CA CYS A 61 3.479 -5.299 -11.599 1.00 0.00 C ATOM 842 C CYS A 61 3.158 -6.750 -11.952 1.00 0.00 C ATOM 843 O CYS A 61 2.167 -7.325 -11.482 1.00 0.00 O ATOM 844 CB CYS A 61 4.529 -5.272 -10.485 1.00 0.00 C ATOM 845 SG CYS A 61 3.895 -4.820 -8.835 1.00 0.00 S ATOM 0 H CYS A 61 1.490 -5.183 -10.982 1.00 0.00 H new ATOM 0 HA CYS A 61 3.890 -4.793 -12.472 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.994 -6.256 -10.421 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.312 -4.566 -10.762 1.00 0.00 H new ATOM 850 N GLY A 62 4.017 -7.339 -12.776 1.00 0.00 N ATOM 851 CA GLY A 62 3.838 -8.711 -13.197 1.00 0.00 C ATOM 852 C GLY A 62 4.115 -9.718 -12.095 1.00 0.00 C ATOM 853 O GLY A 62 4.140 -10.924 -12.344 1.00 0.00 O ATOM 0 H GLY A 62 4.843 -6.882 -13.162 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.816 -8.844 -13.553 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.498 -8.914 -14.040 1.00 0.00 H new ATOM 857 N SER A 63 4.334 -9.228 -10.880 1.00 0.00 N ATOM 858 CA SER A 63 4.615 -10.088 -9.757 1.00 0.00 C ATOM 859 C SER A 63 3.332 -10.467 -9.024 1.00 0.00 C ATOM 860 O SER A 63 3.230 -10.322 -7.805 1.00 0.00 O ATOM 861 CB SER A 63 5.588 -9.400 -8.801 1.00 0.00 C ATOM 862 OG SER A 63 6.212 -10.335 -7.944 1.00 0.00 O ATOM 0 H SER A 63 4.320 -8.233 -10.656 1.00 0.00 H new ATOM 0 HA SER A 63 5.073 -11.003 -10.133 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.346 -8.865 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.054 -8.658 -8.207 1.00 0.00 H new ATOM 0 HG SER A 63 6.780 -9.861 -7.301 1.00 0.00 H new ATOM 868 N GLY A 64 2.358 -10.961 -9.781 1.00 0.00 N ATOM 869 CA GLY A 64 1.097 -11.369 -9.203 1.00 0.00 C ATOM 870 C GLY A 64 0.405 -10.274 -8.425 1.00 0.00 C ATOM 871 O GLY A 64 -0.288 -10.543 -7.444 1.00 0.00 O ATOM 0 H GLY A 64 2.423 -11.086 -10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.436 -11.711 -9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.268 -12.220 -8.543 1.00 0.00 H new ATOM 875 N GLY A 65 0.579 -9.044 -8.868 1.00 0.00 N ATOM 876 CA GLY A 65 -0.055 -7.929 -8.205 1.00 0.00 C ATOM 877 C GLY A 65 0.511 -6.578 -8.542 1.00 0.00 C ATOM 878 O GLY A 65 1.063 -6.363 -9.619 1.00 0.00 O ATOM 0 H GLY A 65 1.149 -8.796 -9.677 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.116 -7.933 -8.455 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.019 -8.078 -7.128 1.00 0.00 H new ATOM 882 N ARG A 66 0.349 -5.655 -7.609 1.00 0.00 N ATOM 883 CA ARG A 66 0.821 -4.305 -7.782 1.00 0.00 C ATOM 884 C ARG A 66 1.818 -3.940 -6.685 1.00 0.00 C ATOM 885 O ARG A 66 1.834 -4.563 -5.626 1.00 0.00 O ATOM 886 CB ARG A 66 -0.340 -3.305 -7.772 1.00 0.00 C ATOM 887 CG ARG A 66 -1.678 -3.862 -8.254 1.00 0.00 C ATOM 888 CD ARG A 66 -1.542 -4.616 -9.570 1.00 0.00 C ATOM 889 NE ARG A 66 -2.826 -4.860 -10.217 1.00 0.00 N ATOM 890 CZ ARG A 66 -3.681 -5.804 -9.841 1.00 0.00 C ATOM 891 NH1 ARG A 66 -3.430 -6.556 -8.778 1.00 0.00 N ATOM 892 NH2 ARG A 66 -4.797 -5.994 -10.530 1.00 0.00 N ATOM 0 H ARG A 66 -0.113 -5.826 -6.716 1.00 0.00 H new ATOM 0 HA ARG A 66 1.317 -4.253 -8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.465 -2.928 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.072 -2.454 -8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.088 -4.529 -7.495 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.388 -3.044 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.903 -4.047 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.045 -5.569 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.083 -4.269 -11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.574 -6.412 -8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.093 -7.279 -8.497 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.997 -5.416 -11.346 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.456 -6.718 -10.244 1.00 0.00 H new ATOM 906 N CYS A 67 2.642 -2.923 -6.940 1.00 0.00 N ATOM 907 CA CYS A 67 3.631 -2.478 -5.962 1.00 0.00 C ATOM 908 C CYS A 67 2.924 -2.136 -4.649 1.00 0.00 C ATOM 909 O CYS A 67 1.724 -1.882 -4.650 1.00 0.00 O ATOM 910 CB CYS A 67 4.425 -1.276 -6.494 1.00 0.00 C ATOM 911 SG CYS A 67 6.002 -0.971 -5.630 1.00 0.00 S ATOM 0 H CYS A 67 2.643 -2.395 -7.812 1.00 0.00 H new ATOM 0 HA CYS A 67 4.344 -3.282 -5.781 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.630 -1.432 -7.553 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.804 -0.383 -6.417 1.00 0.00 H new ATOM 916 N ALA A 68 3.636 -2.189 -3.525 1.00 0.00 N ATOM 917 CA ALA A 68 2.998 -1.937 -2.227 1.00 0.00 C ATOM 918 C ALA A 68 3.927 -1.348 -1.166 1.00 0.00 C ATOM 919 O ALA A 68 3.473 -0.676 -0.239 1.00 0.00 O ATOM 920 CB ALA A 68 2.453 -3.253 -1.715 1.00 0.00 C ATOM 0 H ALA A 68 4.633 -2.399 -3.481 1.00 0.00 H new ATOM 0 HA ALA A 68 2.222 -1.191 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.972 -3.097 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.724 -3.646 -2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.270 -3.966 -1.602 1.00 0.00 H new ATOM 926 N ALA A 69 5.207 -1.626 -1.289 1.00 0.00 N ATOM 927 CA ALA A 69 6.193 -1.163 -0.324 1.00 0.00 C ATOM 928 C ALA A 69 7.579 -1.124 -0.927 1.00 0.00 C ATOM 929 O ALA A 69 7.722 -1.297 -2.135 1.00 0.00 O ATOM 930 CB ALA A 69 6.215 -2.065 0.888 1.00 0.00 C ATOM 0 H ALA A 69 5.597 -2.176 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 69 5.905 -0.154 -0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.958 -1.702 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.232 -2.065 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.470 -3.080 0.582 1.00 0.00 H new ATOM 936 N ALA A 70 8.605 -0.885 -0.088 1.00 0.00 N ATOM 937 CA ALA A 70 9.977 -0.846 -0.583 1.00 0.00 C ATOM 938 C ALA A 70 10.167 -1.971 -1.553 1.00 0.00 C ATOM 939 O ALA A 70 10.555 -3.066 -1.158 1.00 0.00 O ATOM 940 CB ALA A 70 10.997 -1.022 0.524 1.00 0.00 C ATOM 0 H ALA A 70 8.505 -0.720 0.914 1.00 0.00 H new ATOM 0 HA ALA A 70 10.130 0.130 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.001 -0.985 0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.881 -0.223 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.843 -1.985 1.011 1.00 0.00 H new ATOM 946 N GLY A 71 9.835 -1.739 -2.801 1.00 0.00 N ATOM 947 CA GLY A 71 9.946 -2.794 -3.749 1.00 0.00 C ATOM 948 C GLY A 71 9.126 -3.989 -3.325 1.00 0.00 C ATOM 949 O GLY A 71 9.662 -5.059 -3.055 1.00 0.00 O ATOM 0 H GLY A 71 9.495 -0.849 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.611 -2.447 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.991 -3.084 -3.855 1.00 0.00 H new ATOM 953 N ILE A 72 7.819 -3.807 -3.298 1.00 0.00 N ATOM 954 CA ILE A 72 6.910 -4.868 -2.941 1.00 0.00 C ATOM 955 C ILE A 72 5.734 -4.858 -3.891 1.00 0.00 C ATOM 956 O ILE A 72 5.187 -3.811 -4.205 1.00 0.00 O ATOM 957 CB ILE A 72 6.368 -4.762 -1.491 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.426 -5.180 -0.461 1.00 0.00 C ATOM 959 CG2 ILE A 72 5.119 -5.616 -1.327 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.485 -6.670 -0.178 1.00 0.00 C ATOM 0 H ILE A 72 7.364 -2.922 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 72 7.478 -5.796 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 72 6.115 -3.717 -1.311 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.404 -4.852 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.230 -4.654 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.751 -5.531 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.350 -5.273 -2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.360 -6.657 -1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.261 -6.870 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.522 -7.006 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.714 -7.206 -1.099 1.00 0.00 H new ATOM 972 N CYS A 73 5.351 -6.032 -4.328 1.00 0.00 N ATOM 973 CA CYS A 73 4.236 -6.195 -5.208 1.00 0.00 C ATOM 974 C CYS A 73 3.286 -7.148 -4.495 1.00 0.00 C ATOM 975 O CYS A 73 3.622 -8.306 -4.242 1.00 0.00 O ATOM 976 CB CYS A 73 4.714 -6.682 -6.589 1.00 0.00 C ATOM 977 SG CYS A 73 3.479 -6.591 -7.922 1.00 0.00 S ATOM 0 H CYS A 73 5.813 -6.906 -4.076 1.00 0.00 H new ATOM 0 HA CYS A 73 3.711 -5.263 -5.419 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.583 -6.093 -6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.046 -7.716 -6.495 1.00 0.00 H new ATOM 982 N CYS A 74 2.159 -6.610 -4.046 1.00 0.00 N ATOM 983 CA CYS A 74 1.237 -7.376 -3.226 1.00 0.00 C ATOM 984 C CYS A 74 0.082 -8.025 -3.972 1.00 0.00 C ATOM 985 O CYS A 74 -0.311 -7.611 -5.061 1.00 0.00 O ATOM 986 CB CYS A 74 0.705 -6.481 -2.112 1.00 0.00 C ATOM 987 SG CYS A 74 0.329 -7.363 -0.567 1.00 0.00 S ATOM 0 H CYS A 74 1.865 -5.652 -4.236 1.00 0.00 H new ATOM 0 HA CYS A 74 1.813 -8.213 -2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.439 -5.703 -1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.199 -5.982 -2.462 1.00 0.00 H new ATOM 992 N SER A 75 -0.462 -9.051 -3.318 1.00 0.00 N ATOM 993 CA SER A 75 -1.581 -9.815 -3.819 1.00 0.00 C ATOM 994 C SER A 75 -2.668 -9.885 -2.744 1.00 0.00 C ATOM 995 O SER A 75 -2.503 -9.324 -1.660 1.00 0.00 O ATOM 996 CB SER A 75 -1.132 -11.228 -4.223 1.00 0.00 C ATOM 997 OG SER A 75 0.106 -11.210 -4.920 1.00 0.00 O ATOM 0 H SER A 75 -0.124 -9.372 -2.411 1.00 0.00 H new ATOM 0 HA SER A 75 -1.983 -9.323 -4.705 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.038 -11.848 -3.332 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.896 -11.686 -4.851 1.00 0.00 H new ATOM 0 HG SER A 75 -0.062 -11.202 -5.885 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.797 -10.559 -3.020 1.00 0.00 N ATOM 1004 CA PRO A 76 -4.900 -10.671 -2.059 1.00 0.00 C ATOM 1005 C PRO A 76 -4.572 -11.600 -0.891 1.00 0.00 C ATOM 1006 O PRO A 76 -5.320 -11.670 0.084 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.042 -11.281 -2.884 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.606 -11.196 -4.308 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.108 -11.239 -4.282 1.00 0.00 C ATOM 0 HA PRO A 76 -5.132 -9.704 -1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.226 -12.315 -2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.972 -10.735 -2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.010 -12.024 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.962 -10.276 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.730 -12.261 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.672 -10.726 -5.139 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.455 -12.313 -0.995 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.036 -13.239 0.055 1.00 0.00 C ATOM 1019 C ASP A 77 -1.877 -12.665 0.870 1.00 0.00 C ATOM 1020 O ASP A 77 -1.759 -12.929 2.067 1.00 0.00 O ATOM 1021 CB ASP A 77 -2.621 -14.577 -0.561 1.00 0.00 C ATOM 1022 CG ASP A 77 -3.492 -15.725 -0.089 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.639 -15.837 -0.570 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -3.026 -16.511 0.762 1.00 0.00 O ATOM 0 H ASP A 77 -2.823 -12.268 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.882 -13.393 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.675 -14.506 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.582 -14.784 -0.306 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.025 -11.881 0.216 1.00 0.00 N ATOM 1030 CA GLY A 78 0.104 -11.287 0.891 1.00 0.00 C ATOM 1031 C GLY A 78 1.036 -10.567 -0.063 1.00 0.00 C ATOM 1032 O GLY A 78 0.893 -10.678 -1.281 1.00 0.00 O ATOM 0 H GLY A 78 -1.101 -11.649 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.255 -10.584 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.658 -12.064 1.419 1.00 0.00 H new ATOM 1036 N CYS A 79 1.992 -9.821 0.483 1.00 0.00 N ATOM 1037 CA CYS A 79 2.934 -9.097 -0.350 1.00 0.00 C ATOM 1038 C CYS A 79 4.238 -9.862 -0.528 1.00 0.00 C ATOM 1039 O CYS A 79 4.516 -10.829 0.181 1.00 0.00 O ATOM 1040 CB CYS A 79 3.243 -7.718 0.228 1.00 0.00 C ATOM 1041 SG CYS A 79 1.787 -6.730 0.692 1.00 0.00 S ATOM 0 H CYS A 79 2.131 -9.705 1.487 1.00 0.00 H new ATOM 0 HA CYS A 79 2.457 -8.982 -1.323 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.873 -7.843 1.109 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.825 -7.157 -0.503 1.00 0.00 H new ATOM 1046 N GLU A 80 5.039 -9.394 -1.478 1.00 0.00 N ATOM 1047 CA GLU A 80 6.328 -9.981 -1.773 1.00 0.00 C ATOM 1048 C GLU A 80 7.241 -8.927 -2.387 1.00 0.00 C ATOM 1049 O GLU A 80 6.776 -8.071 -3.141 1.00 0.00 O ATOM 1050 CB GLU A 80 6.167 -11.177 -2.707 1.00 0.00 C ATOM 1051 CG GLU A 80 5.685 -10.807 -4.098 1.00 0.00 C ATOM 1052 CD GLU A 80 6.717 -11.103 -5.165 1.00 0.00 C ATOM 1053 OE1 GLU A 80 6.878 -12.288 -5.523 1.00 0.00 O ATOM 1054 OE2 GLU A 80 7.364 -10.148 -5.645 1.00 0.00 O ATOM 0 H GLU A 80 4.806 -8.593 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 80 6.781 -10.339 -0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.123 -11.693 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.462 -11.880 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.770 -11.355 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.435 -9.746 -4.123 1.00 0.00 H new ATOM 1061 N GLU A 81 8.528 -8.961 -2.054 1.00 0.00 N ATOM 1062 CA GLU A 81 9.456 -7.983 -2.573 1.00 0.00 C ATOM 1063 C GLU A 81 9.560 -8.082 -4.084 1.00 0.00 C ATOM 1064 O GLU A 81 9.986 -9.102 -4.625 1.00 0.00 O ATOM 1065 CB GLU A 81 10.821 -8.148 -1.916 1.00 0.00 C ATOM 1066 CG GLU A 81 11.259 -9.582 -1.770 1.00 0.00 C ATOM 1067 CD GLU A 81 11.656 -9.932 -0.349 1.00 0.00 C ATOM 1068 OE1 GLU A 81 10.767 -10.323 0.435 1.00 0.00 O ATOM 1069 OE2 GLU A 81 12.855 -9.810 -0.020 1.00 0.00 O ATOM 0 H GLU A 81 8.942 -9.654 -1.430 1.00 0.00 H new ATOM 0 HA GLU A 81 9.080 -6.989 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.564 -7.610 -2.504 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.797 -7.683 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.450 -10.239 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.102 -9.769 -2.435 1.00 0.00 H new ATOM 1076 N ASP A 82 9.164 -7.010 -4.759 1.00 0.00 N ATOM 1077 CA ASP A 82 9.195 -6.959 -6.198 1.00 0.00 C ATOM 1078 C ASP A 82 10.413 -6.173 -6.693 1.00 0.00 C ATOM 1079 O ASP A 82 10.482 -4.954 -6.566 1.00 0.00 O ATOM 1080 CB ASP A 82 7.898 -6.339 -6.723 1.00 0.00 C ATOM 1081 CG ASP A 82 7.653 -4.961 -6.166 1.00 0.00 C ATOM 1082 OD1 ASP A 82 8.565 -4.423 -5.523 1.00 0.00 O ATOM 1083 OD2 ASP A 82 6.557 -4.408 -6.391 1.00 0.00 O ATOM 0 H ASP A 82 8.815 -6.159 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 82 9.280 -7.976 -6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.938 -6.286 -7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.059 -6.986 -6.466 1.00 0.00 H new ATOM 1088 N PRO A 83 11.397 -6.887 -7.264 1.00 0.00 N ATOM 1089 CA PRO A 83 12.619 -6.302 -7.798 1.00 0.00 C ATOM 1090 C PRO A 83 12.285 -5.259 -8.827 1.00 0.00 C ATOM 1091 O PRO A 83 13.092 -4.408 -9.190 1.00 0.00 O ATOM 1092 CB PRO A 83 13.338 -7.499 -8.427 1.00 0.00 C ATOM 1093 CG PRO A 83 12.812 -8.662 -7.679 1.00 0.00 C ATOM 1094 CD PRO A 83 11.376 -8.323 -7.425 1.00 0.00 C ATOM 0 HA PRO A 83 13.228 -5.798 -7.048 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.124 -7.579 -9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.420 -7.414 -8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.907 -9.582 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.355 -8.813 -6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.738 -8.625 -8.256 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.996 -8.822 -6.534 1.00 0.00 H new ATOM 1102 N ALA A 84 11.058 -5.318 -9.257 1.00 0.00 N ATOM 1103 CA ALA A 84 10.538 -4.388 -10.189 1.00 0.00 C ATOM 1104 C ALA A 84 10.384 -3.031 -9.525 1.00 0.00 C ATOM 1105 O ALA A 84 10.365 -1.993 -10.188 1.00 0.00 O ATOM 1106 CB ALA A 84 9.199 -4.910 -10.649 1.00 0.00 C ATOM 0 H ALA A 84 10.389 -6.028 -8.959 1.00 0.00 H new ATOM 0 HA ALA A 84 11.208 -4.270 -11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.767 -4.217 -11.371 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.330 -5.886 -11.117 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.532 -5.005 -9.792 1.00 0.00 H new ATOM 1112 N CYS A 85 10.197 -3.066 -8.207 1.00 0.00 N ATOM 1113 CA CYS A 85 9.959 -1.862 -7.444 1.00 0.00 C ATOM 1114 C CYS A 85 11.090 -1.372 -6.489 1.00 0.00 C ATOM 1115 O CYS A 85 11.114 -0.167 -6.240 1.00 0.00 O ATOM 1116 CB CYS A 85 8.639 -1.990 -6.683 1.00 0.00 C ATOM 1117 SG CYS A 85 7.364 -0.769 -7.127 1.00 0.00 S ATOM 0 H CYS A 85 10.207 -3.922 -7.652 1.00 0.00 H new ATOM 0 HA CYS A 85 9.924 -1.078 -8.201 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.237 -2.989 -6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.844 -1.905 -5.616 1.00 0.00 H new ATOM 1122 N ASP A 86 12.017 -2.208 -5.908 1.00 0.00 N ATOM 1123 CA ASP A 86 13.016 -1.564 -4.974 1.00 0.00 C ATOM 1124 C ASP A 86 14.016 -2.399 -4.112 1.00 0.00 C ATOM 1125 O ASP A 86 15.029 -1.836 -3.696 1.00 0.00 O ATOM 1126 CB ASP A 86 12.231 -0.792 -3.916 1.00 0.00 C ATOM 1127 CG ASP A 86 13.057 0.256 -3.194 1.00 0.00 C ATOM 1128 OD1 ASP A 86 13.860 -0.123 -2.314 1.00 0.00 O ATOM 1129 OD2 ASP A 86 12.900 1.456 -3.504 1.00 0.00 O ATOM 0 H ASP A 86 12.097 -3.216 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 86 13.635 -1.037 -5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.378 -0.307 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.832 -1.496 -3.185 1.00 0.00 H new ATOM 1134 N PRO A 87 13.732 -3.638 -3.678 1.00 0.00 N ATOM 1135 CA PRO A 87 14.574 -4.364 -2.727 1.00 0.00 C ATOM 1136 C PRO A 87 15.310 -5.504 -3.358 1.00 0.00 C ATOM 1137 O PRO A 87 16.513 -5.448 -3.609 1.00 0.00 O ATOM 1138 CB PRO A 87 13.510 -4.896 -1.756 1.00 0.00 C ATOM 1139 CG PRO A 87 12.207 -4.711 -2.476 1.00 0.00 C ATOM 1140 CD PRO A 87 12.558 -4.422 -3.908 1.00 0.00 C ATOM 0 HA PRO A 87 15.356 -3.747 -2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.683 -5.945 -1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.523 -4.346 -0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.589 -5.606 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.635 -3.891 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.757 -5.324 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.777 -3.872 -4.434 1.00 0.00 H new ATOM 1148 N GLU A 88 14.531 -6.513 -3.680 1.00 0.00 N ATOM 1149 CA GLU A 88 15.031 -7.665 -4.373 1.00 0.00 C ATOM 1150 C GLU A 88 15.405 -7.174 -5.771 1.00 0.00 C ATOM 1151 O GLU A 88 15.998 -7.876 -6.589 1.00 0.00 O ATOM 1152 CB GLU A 88 13.939 -8.743 -4.411 1.00 0.00 C ATOM 1153 CG GLU A 88 14.430 -10.117 -4.832 1.00 0.00 C ATOM 1154 CD GLU A 88 13.838 -11.227 -3.985 1.00 0.00 C ATOM 1155 OE1 GLU A 88 14.402 -11.517 -2.909 1.00 0.00 O ATOM 1156 OE2 GLU A 88 12.808 -11.802 -4.395 1.00 0.00 O ATOM 0 H GLU A 88 13.534 -6.552 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 88 15.898 -8.114 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.486 -8.819 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.154 -8.425 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.175 -10.286 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.517 -10.149 -4.760 1.00 0.00 H new ATOM 1163 N ALA A 89 15.050 -5.903 -5.967 1.00 0.00 N ATOM 1164 CA ALA A 89 15.292 -5.126 -7.152 1.00 0.00 C ATOM 1165 C ALA A 89 16.752 -4.737 -7.259 1.00 0.00 C ATOM 1166 O ALA A 89 17.634 -5.377 -6.688 1.00 0.00 O ATOM 1167 CB ALA A 89 14.445 -3.865 -7.029 1.00 0.00 C ATOM 0 H ALA A 89 14.557 -5.370 -5.251 1.00 0.00 H new ATOM 0 HA ALA A 89 15.037 -5.705 -8.040 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.595 -3.239 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.393 -4.139 -6.953 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.741 -3.313 -6.137 1.00 0.00 H new ATOM 1173 N ALA A 90 16.975 -3.633 -7.944 1.00 0.00 N ATOM 1174 CA ALA A 90 18.287 -3.062 -8.086 1.00 0.00 C ATOM 1175 C ALA A 90 18.754 -2.653 -6.705 1.00 0.00 C ATOM 1176 O ALA A 90 18.012 -2.828 -5.739 1.00 0.00 O ATOM 1177 CB ALA A 90 18.209 -1.835 -8.972 1.00 0.00 C ATOM 0 H ALA A 90 16.241 -3.108 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 90 18.975 -3.779 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.203 -1.401 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.828 -2.118 -9.953 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.540 -1.102 -8.520 1.00 0.00 H new ATOM 1183 N PHE A 91 19.938 -2.076 -6.589 1.00 0.00 N ATOM 1184 CA PHE A 91 20.386 -1.628 -5.278 1.00 0.00 C ATOM 1185 C PHE A 91 19.600 -0.367 -4.948 1.00 0.00 C ATOM 1186 O PHE A 91 20.154 0.723 -4.801 1.00 0.00 O ATOM 1187 CB PHE A 91 21.894 -1.343 -5.273 1.00 0.00 C ATOM 1188 CG PHE A 91 22.358 -0.482 -6.414 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.585 -1.030 -7.666 1.00 0.00 C ATOM 1190 CD2 PHE A 91 22.567 0.876 -6.235 1.00 0.00 C ATOM 1191 CE1 PHE A 91 23.013 -0.243 -8.716 1.00 0.00 C ATOM 1192 CE2 PHE A 91 22.996 1.669 -7.282 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.218 1.108 -8.525 1.00 0.00 C ATOM 0 H PHE A 91 20.589 -1.910 -7.357 1.00 0.00 H new ATOM 0 HA PHE A 91 20.212 -2.403 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.158 -0.857 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.432 -2.290 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 91 22.425 -2.087 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.393 1.320 -5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 91 23.187 -0.684 -9.686 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.158 2.726 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.551 1.726 -9.346 1.00 0.00 H new ATOM 1203 N SER A 92 18.282 -0.551 -4.862 1.00 0.00 N ATOM 1204 CA SER A 92 17.343 0.520 -4.590 1.00 0.00 C ATOM 1205 C SER A 92 16.887 0.505 -3.132 1.00 0.00 C ATOM 1206 O SER A 92 16.389 1.548 -2.658 1.00 0.00 O ATOM 1207 CB SER A 92 16.142 0.391 -5.542 1.00 0.00 C ATOM 1208 OG SER A 92 15.068 1.201 -5.110 1.00 0.00 O ATOM 1209 OXT SER A 92 17.032 -0.549 -2.478 1.00 0.00 O ATOM 0 H SER A 92 17.839 -1.462 -4.982 1.00 0.00 H new ATOM 0 HA SER A 92 17.839 1.476 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.439 0.681 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.821 -0.650 -5.591 1.00 0.00 H new ATOM 0 HG SER A 92 14.315 1.105 -5.730 1.00 0.00 H new