USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 269 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 LEU N :NH3+ 152:sc= -0.904 (180deg=-2.34!) USER MOD Single : A 6 SER OG : rot -99:sc= 1.27 USER MOD Single : A 10 SER OG : rot -101:sc= 0.625 USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= 1.18 (180deg=0.885) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.578 0.348 1.584 1.00 0.00 N ATOM 2 CA LEU A 1 13.743 0.496 2.768 1.00 0.00 C ATOM 3 C LEU A 1 12.450 1.181 2.382 1.00 0.00 C ATOM 4 O LEU A 1 12.455 2.032 1.496 1.00 0.00 O ATOM 5 CB LEU A 1 14.437 1.265 3.934 1.00 0.00 C ATOM 6 CG LEU A 1 14.815 2.740 3.720 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.150 3.369 5.059 1.00 0.00 C ATOM 8 CD2 LEU A 1 16.012 2.861 2.803 1.00 0.00 C ATOM 0 H1 LEU A 1 15.579 0.338 1.864 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.344 -0.544 1.104 1.00 0.00 H new ATOM 0 H3 LEU A 1 14.407 1.144 0.937 1.00 0.00 H new ATOM 0 HA LEU A 1 13.548 -0.507 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.779 1.214 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 1 15.347 0.724 4.192 1.00 0.00 H new ATOM 0 HG LEU A 1 13.969 3.253 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.419 4.415 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.284 3.306 5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.989 2.839 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.261 3.913 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.862 2.341 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.776 2.415 1.836 1.00 0.00 H new ATOM 22 N PRO A 2 11.319 0.816 2.993 1.00 0.00 N ATOM 23 CA PRO A 2 10.036 1.435 2.685 1.00 0.00 C ATOM 24 C PRO A 2 10.011 2.916 3.046 1.00 0.00 C ATOM 25 O PRO A 2 10.489 3.330 4.107 1.00 0.00 O ATOM 26 CB PRO A 2 9.027 0.634 3.527 1.00 0.00 C ATOM 27 CG PRO A 2 9.735 -0.623 3.871 1.00 0.00 C ATOM 28 CD PRO A 2 11.171 -0.236 4.018 1.00 0.00 C ATOM 0 HA PRO A 2 9.813 1.407 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.736 1.182 4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.114 0.433 2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.347 -1.054 4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.607 -1.373 3.091 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.392 0.137 5.018 1.00 0.00 H new ATOM 0 HD3 PRO A 2 11.840 -1.077 3.837 1.00 0.00 H new ATOM 36 N ARG A 3 9.473 3.697 2.146 1.00 0.00 N ATOM 37 CA ARG A 3 9.347 5.141 2.312 1.00 0.00 C ATOM 38 C ARG A 3 7.879 5.500 2.258 1.00 0.00 C ATOM 39 O ARG A 3 7.499 6.644 2.002 1.00 0.00 O ATOM 40 CB ARG A 3 10.070 5.868 1.178 1.00 0.00 C ATOM 41 CG ARG A 3 11.568 5.618 1.084 1.00 0.00 C ATOM 42 CD ARG A 3 12.187 6.484 -0.008 1.00 0.00 C ATOM 43 NE ARG A 3 12.079 7.921 0.313 1.00 0.00 N ATOM 44 CZ ARG A 3 12.046 8.935 -0.570 1.00 0.00 C ATOM 45 NH1 ARG A 3 11.936 8.699 -1.879 1.00 0.00 N ATOM 46 NH2 ARG A 3 12.074 10.192 -0.122 1.00 0.00 N ATOM 0 H ARG A 3 9.101 3.353 1.260 1.00 0.00 H new ATOM 0 HA ARG A 3 9.787 5.437 3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 3 9.611 5.576 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.906 6.939 1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.040 5.838 2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.754 4.565 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.236 6.217 -0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.690 6.284 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 3 12.024 8.169 1.301 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.876 7.740 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.912 9.478 -2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.120 10.375 0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.049 10.969 -0.782 1.00 0.00 H new ATOM 60 N CYS A 4 7.077 4.532 2.563 1.00 0.00 N ATOM 61 CA CYS A 4 5.655 4.606 2.390 1.00 0.00 C ATOM 62 C CYS A 4 4.975 5.359 3.539 1.00 0.00 C ATOM 63 O CYS A 4 4.282 6.356 3.307 1.00 0.00 O ATOM 64 CB CYS A 4 5.122 3.180 2.293 1.00 0.00 C ATOM 65 SG CYS A 4 6.106 2.115 1.173 1.00 0.00 S ATOM 0 H CYS A 4 7.397 3.644 2.949 1.00 0.00 H new ATOM 0 HA CYS A 4 5.431 5.164 1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.109 2.735 3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.090 3.208 1.943 1.00 0.00 H new ATOM 70 N ASP A 5 5.181 4.867 4.772 1.00 0.00 N ATOM 71 CA ASP A 5 4.568 5.395 6.021 1.00 0.00 C ATOM 72 C ASP A 5 3.083 5.122 6.112 1.00 0.00 C ATOM 73 O ASP A 5 2.430 5.485 7.104 1.00 0.00 O ATOM 74 CB ASP A 5 4.871 6.875 6.291 1.00 0.00 C ATOM 75 CG ASP A 5 6.230 7.100 6.893 1.00 0.00 C ATOM 76 OD1 ASP A 5 6.370 6.952 8.120 1.00 0.00 O ATOM 77 OD2 ASP A 5 7.191 7.455 6.154 1.00 0.00 O ATOM 0 H ASP A 5 5.794 4.069 4.941 1.00 0.00 H new ATOM 0 HA ASP A 5 5.058 4.831 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.798 7.431 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.112 7.278 6.962 1.00 0.00 H new ATOM 82 N SER A 6 2.566 4.475 5.104 1.00 0.00 N ATOM 83 CA SER A 6 1.194 4.091 5.029 1.00 0.00 C ATOM 84 C SER A 6 0.922 3.006 6.087 1.00 0.00 C ATOM 85 O SER A 6 1.586 1.972 6.101 1.00 0.00 O ATOM 86 CB SER A 6 0.943 3.553 3.627 1.00 0.00 C ATOM 87 OG SER A 6 1.469 4.455 2.650 1.00 0.00 O ATOM 0 H SER A 6 3.111 4.194 4.289 1.00 0.00 H new ATOM 0 HA SER A 6 0.531 4.934 5.223 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.409 2.574 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.127 3.417 3.468 1.00 0.00 H new ATOM 0 HG SER A 6 0.744 5.010 2.293 1.00 0.00 H new ATOM 93 N PRO A 7 -0.015 3.253 7.009 1.00 0.00 N ATOM 94 CA PRO A 7 -0.331 2.298 8.080 1.00 0.00 C ATOM 95 C PRO A 7 -1.098 1.069 7.567 1.00 0.00 C ATOM 96 O PRO A 7 -1.026 -0.027 8.139 1.00 0.00 O ATOM 97 CB PRO A 7 -1.201 3.116 9.034 1.00 0.00 C ATOM 98 CG PRO A 7 -1.809 4.187 8.188 1.00 0.00 C ATOM 99 CD PRO A 7 -0.817 4.491 7.105 1.00 0.00 C ATOM 0 HA PRO A 7 0.569 1.892 8.542 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.969 2.496 9.496 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.606 3.542 9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.756 3.855 7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -2.020 5.077 8.781 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.312 4.722 6.162 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.197 5.351 7.359 1.00 0.00 H new ATOM 107 N PHE A 8 -1.811 1.251 6.494 1.00 0.00 N ATOM 108 CA PHE A 8 -2.597 0.209 5.900 1.00 0.00 C ATOM 109 C PHE A 8 -2.821 0.566 4.469 1.00 0.00 C ATOM 110 O PHE A 8 -2.318 1.594 4.021 1.00 0.00 O ATOM 111 CB PHE A 8 -3.955 0.034 6.636 1.00 0.00 C ATOM 112 CG PHE A 8 -4.856 1.257 6.665 1.00 0.00 C ATOM 113 CD1 PHE A 8 -4.834 2.124 7.743 1.00 0.00 C ATOM 114 CD2 PHE A 8 -5.732 1.520 5.624 1.00 0.00 C ATOM 115 CE1 PHE A 8 -5.661 3.225 7.779 1.00 0.00 C ATOM 116 CE2 PHE A 8 -6.560 2.625 5.657 1.00 0.00 C ATOM 117 CZ PHE A 8 -6.524 3.477 6.736 1.00 0.00 C ATOM 0 H PHE A 8 -1.864 2.141 5.999 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.068 -0.741 5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.500 -0.784 6.164 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.753 -0.269 7.663 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.161 1.935 8.566 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.768 0.852 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.632 3.892 8.628 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.235 2.820 4.837 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.171 4.341 6.765 1.00 0.00 H new ATOM 127 N CYS A 9 -3.534 -0.279 3.762 1.00 0.00 N ATOM 128 CA CYS A 9 -3.947 -0.045 2.402 1.00 0.00 C ATOM 129 C CYS A 9 -4.832 -1.207 2.031 1.00 0.00 C ATOM 130 O CYS A 9 -4.778 -2.267 2.686 1.00 0.00 O ATOM 131 CB CYS A 9 -2.747 0.054 1.454 1.00 0.00 C ATOM 132 SG CYS A 9 -3.135 0.680 -0.222 1.00 0.00 S ATOM 0 H CYS A 9 -3.851 -1.175 4.131 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.474 0.905 2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.999 0.706 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.294 -0.933 1.361 1.00 0.00 H new ATOM 137 N SER A 10 -5.661 -1.041 1.057 1.00 0.00 N ATOM 138 CA SER A 10 -6.594 -2.073 0.677 1.00 0.00 C ATOM 139 C SER A 10 -6.846 -1.989 -0.805 1.00 0.00 C ATOM 140 O SER A 10 -6.445 -1.037 -1.422 1.00 0.00 O ATOM 141 CB SER A 10 -7.913 -1.864 1.425 1.00 0.00 C ATOM 142 OG SER A 10 -7.689 -1.737 2.814 1.00 0.00 O ATOM 0 H SER A 10 -5.719 -0.191 0.496 1.00 0.00 H new ATOM 0 HA SER A 10 -6.182 -3.051 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.411 -0.970 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.581 -2.704 1.235 1.00 0.00 H new ATOM 0 HG SER A 10 -7.896 -2.586 3.258 1.00 0.00 H new ATOM 148 N LEU A 11 -7.516 -2.984 -1.363 1.00 0.00 N ATOM 149 CA LEU A 11 -7.872 -2.965 -2.781 1.00 0.00 C ATOM 150 C LEU A 11 -8.879 -1.860 -3.094 1.00 0.00 C ATOM 151 O LEU A 11 -8.983 -1.387 -4.228 1.00 0.00 O ATOM 152 CB LEU A 11 -8.330 -4.365 -3.269 1.00 0.00 C ATOM 153 CG LEU A 11 -9.491 -5.083 -2.530 1.00 0.00 C ATOM 154 CD1 LEU A 11 -10.828 -4.432 -2.782 1.00 0.00 C ATOM 155 CD2 LEU A 11 -9.548 -6.535 -2.936 1.00 0.00 C ATOM 0 H LEU A 11 -7.826 -3.816 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.974 -2.723 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.617 -4.269 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.462 -5.024 -3.235 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.285 -5.003 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.604 -4.974 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.800 -3.398 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.047 -4.453 -3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.366 -7.028 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.712 -6.606 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.607 -7.022 -2.679 1.00 0.00 H new ATOM 167 N PHE A 12 -9.619 -1.470 -2.080 1.00 0.00 N ATOM 168 CA PHE A 12 -10.555 -0.374 -2.199 1.00 0.00 C ATOM 169 C PHE A 12 -9.785 0.929 -2.117 1.00 0.00 C ATOM 170 O PHE A 12 -9.683 1.678 -3.082 1.00 0.00 O ATOM 171 CB PHE A 12 -11.614 -0.411 -1.086 1.00 0.00 C ATOM 172 CG PHE A 12 -12.520 -1.607 -1.098 1.00 0.00 C ATOM 173 CD1 PHE A 12 -13.462 -1.764 -2.099 1.00 0.00 C ATOM 174 CD2 PHE A 12 -12.450 -2.561 -0.093 1.00 0.00 C ATOM 175 CE1 PHE A 12 -14.314 -2.850 -2.103 1.00 0.00 C ATOM 176 CE2 PHE A 12 -13.299 -3.651 -0.095 1.00 0.00 C ATOM 177 CZ PHE A 12 -14.230 -3.792 -1.101 1.00 0.00 C ATOM 0 H PHE A 12 -9.590 -1.900 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.072 -0.460 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.105 -0.372 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.226 0.488 -1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.532 -1.028 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.724 -2.450 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.045 -2.961 -2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.233 -4.390 0.690 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.895 -4.643 -1.104 1.00 0.00 H new ATOM 187 N ARG A 13 -9.195 1.157 -0.966 1.00 0.00 N ATOM 188 CA ARG A 13 -8.424 2.344 -0.735 1.00 0.00 C ATOM 189 C ARG A 13 -6.975 2.067 -1.026 1.00 0.00 C ATOM 190 O ARG A 13 -6.220 1.648 -0.148 1.00 0.00 O ATOM 191 CB ARG A 13 -8.594 2.907 0.691 1.00 0.00 C ATOM 192 CG ARG A 13 -9.927 3.605 0.982 1.00 0.00 C ATOM 193 CD ARG A 13 -11.097 2.645 1.032 1.00 0.00 C ATOM 194 NE ARG A 13 -10.957 1.666 2.130 1.00 0.00 N ATOM 195 CZ ARG A 13 -11.866 0.741 2.470 1.00 0.00 C ATOM 196 NH1 ARG A 13 -13.025 0.679 1.836 1.00 0.00 N ATOM 197 NH2 ARG A 13 -11.609 -0.105 3.463 1.00 0.00 N ATOM 0 H ARG A 13 -9.239 0.522 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.799 3.112 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.472 2.089 1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.787 3.615 0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.855 4.132 1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.113 4.356 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.022 3.206 1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.175 2.117 0.082 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.096 1.697 2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.231 1.337 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.713 -0.027 2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.722 -0.049 3.964 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.299 -0.810 3.724 1.00 0.00 H new ATOM 211 N ILE A 14 -6.620 2.239 -2.270 1.00 0.00 N ATOM 212 CA ILE A 14 -5.259 1.998 -2.745 1.00 0.00 C ATOM 213 C ILE A 14 -4.448 3.277 -2.696 1.00 0.00 C ATOM 214 O ILE A 14 -3.234 3.288 -2.960 1.00 0.00 O ATOM 215 CB ILE A 14 -5.256 1.438 -4.191 1.00 0.00 C ATOM 216 CG1 ILE A 14 -6.069 2.347 -5.130 1.00 0.00 C ATOM 217 CG2 ILE A 14 -5.781 0.012 -4.217 1.00 0.00 C ATOM 218 CD1 ILE A 14 -6.127 1.864 -6.562 1.00 0.00 C ATOM 0 H ILE A 14 -7.262 2.552 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.808 1.256 -2.086 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.227 1.422 -4.550 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.085 2.432 -4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.637 3.348 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.770 -0.361 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.148 -0.620 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.802 -0.007 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.718 2.560 -7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.117 1.807 -6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.588 0.877 -6.595 1.00 0.00 H new ATOM 230 N GLY A 15 -5.119 4.348 -2.324 1.00 0.00 N ATOM 231 CA GLY A 15 -4.513 5.651 -2.267 1.00 0.00 C ATOM 232 C GLY A 15 -3.707 5.883 -1.018 1.00 0.00 C ATOM 233 O GLY A 15 -3.157 6.964 -0.839 1.00 0.00 O ATOM 0 H GLY A 15 -6.102 4.333 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.868 5.781 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.293 6.409 -2.333 1.00 0.00 H new ATOM 237 N LEU A 16 -3.663 4.884 -0.139 1.00 0.00 N ATOM 238 CA LEU A 16 -2.838 4.965 1.069 1.00 0.00 C ATOM 239 C LEU A 16 -1.373 5.015 0.696 1.00 0.00 C ATOM 240 O LEU A 16 -0.563 5.661 1.369 1.00 0.00 O ATOM 241 CB LEU A 16 -3.085 3.793 2.028 1.00 0.00 C ATOM 242 CG LEU A 16 -4.307 3.852 2.967 1.00 0.00 C ATOM 243 CD1 LEU A 16 -4.219 5.033 3.920 1.00 0.00 C ATOM 244 CD2 LEU A 16 -5.605 3.878 2.201 1.00 0.00 C ATOM 0 H LEU A 16 -4.185 4.013 -0.237 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.123 5.880 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.172 2.887 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.196 3.680 2.648 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.294 2.937 3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.096 5.044 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.320 4.943 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.178 5.960 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.440 3.919 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.629 4.756 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.686 2.977 1.592 1.00 0.00 H new ATOM 256 N CYS A 17 -1.034 4.323 -0.352 1.00 0.00 N ATOM 257 CA CYS A 17 0.299 4.353 -0.859 1.00 0.00 C ATOM 258 C CYS A 17 0.325 5.337 -1.990 1.00 0.00 C ATOM 259 O CYS A 17 -0.375 5.154 -2.997 1.00 0.00 O ATOM 260 CB CYS A 17 0.722 2.982 -1.341 1.00 0.00 C ATOM 261 SG CYS A 17 0.532 1.679 -0.084 1.00 0.00 S ATOM 0 H CYS A 17 -1.674 3.725 -0.875 1.00 0.00 H new ATOM 0 HA CYS A 17 0.996 4.649 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.133 2.717 -2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.765 3.022 -1.656 1.00 0.00 H new ATOM 266 N GLY A 18 1.080 6.387 -1.828 1.00 0.00 N ATOM 267 CA GLY A 18 1.085 7.408 -2.812 1.00 0.00 C ATOM 268 C GLY A 18 2.464 7.788 -3.261 1.00 0.00 C ATOM 269 O GLY A 18 3.361 7.997 -2.435 1.00 0.00 O ATOM 0 H GLY A 18 1.692 6.549 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.508 7.075 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.583 8.290 -2.414 1.00 0.00 H new ATOM 273 N ASP A 19 2.641 7.780 -4.577 1.00 0.00 N ATOM 274 CA ASP A 19 3.803 8.277 -5.312 1.00 0.00 C ATOM 275 C ASP A 19 4.967 7.341 -5.309 1.00 0.00 C ATOM 276 O ASP A 19 5.630 7.155 -6.327 1.00 0.00 O ATOM 277 CB ASP A 19 4.202 9.648 -4.796 1.00 0.00 C ATOM 278 CG ASP A 19 5.344 10.299 -5.558 1.00 0.00 C ATOM 279 OD1 ASP A 19 6.516 10.175 -5.145 1.00 0.00 O ATOM 280 OD2 ASP A 19 5.074 10.984 -6.567 1.00 0.00 O ATOM 0 H ASP A 19 1.930 7.401 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 19 3.497 8.356 -6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.333 10.305 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.485 9.559 -3.747 1.00 0.00 H new ATOM 285 N LYS A 20 5.169 6.707 -4.214 1.00 0.00 N ATOM 286 CA LYS A 20 6.379 5.928 -4.018 1.00 0.00 C ATOM 287 C LYS A 20 6.112 4.460 -3.764 1.00 0.00 C ATOM 288 O LYS A 20 6.989 3.606 -3.996 1.00 0.00 O ATOM 289 CB LYS A 20 7.162 6.510 -2.850 1.00 0.00 C ATOM 290 CG LYS A 20 7.342 8.002 -2.960 1.00 0.00 C ATOM 291 CD LYS A 20 8.234 8.560 -1.892 1.00 0.00 C ATOM 292 CE LYS A 20 8.185 10.082 -1.909 1.00 0.00 C ATOM 293 NZ LYS A 20 8.431 10.641 -3.259 1.00 0.00 N ATOM 0 H LYS A 20 4.522 6.699 -3.425 1.00 0.00 H new ATOM 0 HA LYS A 20 6.952 5.987 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.645 6.278 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.140 6.032 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.760 8.242 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.367 8.486 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.921 8.190 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.258 8.220 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.210 10.415 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.929 10.474 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.803 11.608 -3.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.123 10.048 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.540 10.660 -3.795 1.00 0.00 H new ATOM 307 N CYS A 21 4.937 4.137 -3.312 1.00 0.00 N ATOM 308 CA CYS A 21 4.673 2.787 -2.933 1.00 0.00 C ATOM 309 C CYS A 21 3.379 2.312 -3.513 1.00 0.00 C ATOM 310 O CYS A 21 2.546 3.123 -3.958 1.00 0.00 O ATOM 311 CB CYS A 21 4.644 2.662 -1.413 1.00 0.00 C ATOM 312 SG CYS A 21 6.185 3.157 -0.567 1.00 0.00 S ATOM 0 H CYS A 21 4.156 4.783 -3.199 1.00 0.00 H new ATOM 0 HA CYS A 21 5.474 2.161 -3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.825 3.271 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.421 1.627 -1.153 1.00 0.00 H new ATOM 317 N THR A 22 3.211 1.028 -3.492 1.00 0.00 N ATOM 318 CA THR A 22 2.045 0.383 -3.973 1.00 0.00 C ATOM 319 C THR A 22 1.693 -0.687 -2.951 1.00 0.00 C ATOM 320 O THR A 22 2.589 -1.336 -2.400 1.00 0.00 O ATOM 321 CB THR A 22 2.335 -0.266 -5.353 1.00 0.00 C ATOM 322 OG1 THR A 22 2.867 0.729 -6.243 1.00 0.00 O ATOM 323 CG2 THR A 22 1.076 -0.856 -5.966 1.00 0.00 C ATOM 0 H THR A 22 3.911 0.383 -3.125 1.00 0.00 H new ATOM 0 HA THR A 22 1.223 1.087 -4.102 1.00 0.00 H new ATOM 0 HB THR A 22 3.054 -1.071 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.053 0.322 -7.115 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.316 -1.302 -6.931 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.673 -1.621 -5.303 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.335 -0.069 -6.104 1.00 0.00 H new ATOM 331 N CYS A 23 0.448 -0.826 -2.622 1.00 0.00 N ATOM 332 CA CYS A 23 0.086 -1.826 -1.672 1.00 0.00 C ATOM 333 C CYS A 23 -0.350 -3.081 -2.354 1.00 0.00 C ATOM 334 O CYS A 23 -0.963 -3.044 -3.420 1.00 0.00 O ATOM 335 CB CYS A 23 -0.973 -1.340 -0.698 1.00 0.00 C ATOM 336 SG CYS A 23 -2.545 -0.819 -1.445 1.00 0.00 S ATOM 0 H CYS A 23 -0.323 -0.269 -2.991 1.00 0.00 H new ATOM 0 HA CYS A 23 0.979 -2.046 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.177 -2.137 0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.564 -0.502 -0.133 1.00 0.00 H new ATOM 341 N VAL A 24 0.003 -4.183 -1.776 1.00 0.00 N ATOM 342 CA VAL A 24 -0.393 -5.455 -2.276 1.00 0.00 C ATOM 343 C VAL A 24 -1.484 -5.995 -1.371 1.00 0.00 C ATOM 344 O VAL A 24 -1.200 -6.419 -0.248 1.00 0.00 O ATOM 345 CB VAL A 24 0.792 -6.452 -2.315 1.00 0.00 C ATOM 346 CG1 VAL A 24 0.344 -7.786 -2.884 1.00 0.00 C ATOM 347 CG2 VAL A 24 1.948 -5.888 -3.128 1.00 0.00 C ATOM 0 H VAL A 24 0.580 -4.224 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.752 -5.338 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 24 1.139 -6.608 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.188 -8.475 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.447 -8.201 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.031 -7.642 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.768 -6.606 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.616 -5.698 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.289 -4.956 -2.678 1.00 0.00 H new ATOM 357 N PRO A 25 -2.750 -5.897 -1.799 1.00 0.00 N ATOM 358 CA PRO A 25 -3.876 -6.402 -1.030 1.00 0.00 C ATOM 359 C PRO A 25 -3.864 -7.916 -0.991 1.00 0.00 C ATOM 360 O PRO A 25 -3.762 -8.576 -2.041 1.00 0.00 O ATOM 361 CB PRO A 25 -5.110 -5.892 -1.792 1.00 0.00 C ATOM 362 CG PRO A 25 -4.591 -4.879 -2.756 1.00 0.00 C ATOM 363 CD PRO A 25 -3.191 -5.285 -3.062 1.00 0.00 C ATOM 0 HA PRO A 25 -3.855 -6.069 0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.615 -6.706 -2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.837 -5.450 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.197 -4.855 -3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.622 -3.878 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.146 -5.991 -3.892 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.572 -4.431 -3.336 1.00 0.00 H new ATOM 371 N LEU A 26 -3.946 -8.468 0.192 1.00 0.00 N ATOM 372 CA LEU A 26 -3.905 -9.882 0.344 1.00 0.00 C ATOM 373 C LEU A 26 -4.983 -10.445 1.305 1.00 0.00 C ATOM 374 O LEU A 26 -4.782 -10.529 2.505 1.00 0.00 O ATOM 375 CB LEU A 26 -2.449 -10.360 0.658 1.00 0.00 C ATOM 376 CG LEU A 26 -1.570 -9.492 1.620 1.00 0.00 C ATOM 377 CD1 LEU A 26 -2.013 -9.558 3.072 1.00 0.00 C ATOM 378 CD2 LEU A 26 -0.105 -9.872 1.492 1.00 0.00 C ATOM 0 H LEU A 26 -4.042 -7.947 1.064 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.182 -10.319 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.513 -11.362 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.917 -10.447 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.706 -8.457 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.359 -8.933 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.039 -9.200 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.959 -10.589 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.490 -9.258 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.022 -10.923 1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.225 -9.707 0.466 1.00 0.00 H new ATOM 390 N PRO A 27 -6.190 -10.767 0.787 1.00 0.00 N ATOM 391 CA PRO A 27 -6.617 -10.453 -0.584 1.00 0.00 C ATOM 392 C PRO A 27 -7.263 -9.056 -0.672 1.00 0.00 C ATOM 393 O PRO A 27 -7.284 -8.444 -1.736 1.00 0.00 O ATOM 394 CB PRO A 27 -7.682 -11.532 -0.879 1.00 0.00 C ATOM 395 CG PRO A 27 -7.688 -12.426 0.322 1.00 0.00 C ATOM 396 CD PRO A 27 -7.202 -11.581 1.454 1.00 0.00 C ATOM 0 HA PRO A 27 -5.781 -10.447 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.662 -11.083 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.436 -12.090 -1.782 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.689 -12.809 0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.040 -13.290 0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.998 -10.975 1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.782 -12.179 2.263 1.00 0.00 H new ATOM 404 N ILE A 28 -7.753 -8.549 0.465 1.00 0.00 N ATOM 405 CA ILE A 28 -8.448 -7.259 0.505 1.00 0.00 C ATOM 406 C ILE A 28 -7.550 -6.178 1.105 1.00 0.00 C ATOM 407 O ILE A 28 -7.299 -5.144 0.475 1.00 0.00 O ATOM 408 CB ILE A 28 -9.769 -7.344 1.323 1.00 0.00 C ATOM 409 CG1 ILE A 28 -10.690 -8.419 0.736 1.00 0.00 C ATOM 410 CG2 ILE A 28 -10.483 -5.984 1.343 1.00 0.00 C ATOM 411 CD1 ILE A 28 -11.948 -8.653 1.541 1.00 0.00 C ATOM 0 H ILE A 28 -7.681 -9.014 1.370 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.694 -6.997 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.521 -7.617 2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.967 -8.132 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.138 -9.356 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.404 -6.065 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.833 -5.238 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.719 -5.682 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.548 -9.427 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -11.681 -8.972 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.524 -7.729 1.594 1.00 0.00 H new ATOM 423 N PHE A 29 -7.096 -6.413 2.311 1.00 0.00 N ATOM 424 CA PHE A 29 -6.194 -5.504 2.993 1.00 0.00 C ATOM 425 C PHE A 29 -4.790 -5.951 2.703 1.00 0.00 C ATOM 426 O PHE A 29 -4.551 -7.156 2.560 1.00 0.00 O ATOM 427 CB PHE A 29 -6.440 -5.517 4.513 1.00 0.00 C ATOM 428 CG PHE A 29 -7.775 -4.985 4.948 1.00 0.00 C ATOM 429 CD1 PHE A 29 -8.883 -5.810 5.011 1.00 0.00 C ATOM 430 CD2 PHE A 29 -7.918 -3.661 5.307 1.00 0.00 C ATOM 431 CE1 PHE A 29 -10.107 -5.320 5.418 1.00 0.00 C ATOM 432 CE2 PHE A 29 -9.139 -3.167 5.714 1.00 0.00 C ATOM 433 CZ PHE A 29 -10.232 -3.996 5.770 1.00 0.00 C ATOM 0 H PHE A 29 -7.340 -7.242 2.854 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.361 -4.487 2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.340 -6.541 4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.658 -4.932 4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.789 -6.851 4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.063 -3.003 5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.965 -5.974 5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.236 -2.127 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.188 -3.609 6.090 1.00 0.00 H new ATOM 443 N GLY A 30 -3.871 -5.039 2.591 1.00 0.00 N ATOM 444 CA GLY A 30 -2.545 -5.448 2.256 1.00 0.00 C ATOM 445 C GLY A 30 -1.469 -4.589 2.827 1.00 0.00 C ATOM 446 O GLY A 30 -1.731 -3.640 3.585 1.00 0.00 O ATOM 0 H GLY A 30 -4.009 -4.037 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.396 -6.471 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.445 -5.459 1.171 1.00 0.00 H new ATOM 450 N LEU A 31 -0.262 -4.912 2.434 1.00 0.00 N ATOM 451 CA LEU A 31 0.933 -4.244 2.894 1.00 0.00 C ATOM 452 C LEU A 31 1.387 -3.256 1.843 1.00 0.00 C ATOM 453 O LEU A 31 1.140 -3.464 0.656 1.00 0.00 O ATOM 454 CB LEU A 31 2.034 -5.276 3.136 1.00 0.00 C ATOM 455 CG LEU A 31 1.723 -6.369 4.164 1.00 0.00 C ATOM 456 CD1 LEU A 31 2.877 -7.349 4.264 1.00 0.00 C ATOM 457 CD2 LEU A 31 1.416 -5.760 5.524 1.00 0.00 C ATOM 0 H LEU A 31 -0.077 -5.664 1.770 1.00 0.00 H new ATOM 0 HA LEU A 31 0.723 -3.717 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.268 -5.756 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.933 -4.749 3.457 1.00 0.00 H new ATOM 0 HG LEU A 31 0.839 -6.912 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.639 -8.118 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.044 -7.814 3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.778 -6.819 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.198 -6.555 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.277 -5.188 5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.552 -5.100 5.441 1.00 0.00 H new ATOM 469 N CYS A 32 2.040 -2.208 2.258 1.00 0.00 N ATOM 470 CA CYS A 32 2.480 -1.182 1.348 1.00 0.00 C ATOM 471 C CYS A 32 3.967 -1.356 1.081 1.00 0.00 C ATOM 472 O CYS A 32 4.785 -1.330 2.015 1.00 0.00 O ATOM 473 CB CYS A 32 2.193 0.194 1.944 1.00 0.00 C ATOM 474 SG CYS A 32 2.361 1.566 0.774 1.00 0.00 S ATOM 0 H CYS A 32 2.283 -2.038 3.234 1.00 0.00 H new ATOM 0 HA CYS A 32 1.940 -1.265 0.405 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.180 0.198 2.347 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.870 0.362 2.782 1.00 0.00 H new ATOM 479 N VAL A 33 4.326 -1.567 -0.157 1.00 0.00 N ATOM 480 CA VAL A 33 5.701 -1.829 -0.511 1.00 0.00 C ATOM 481 C VAL A 33 6.191 -0.775 -1.518 1.00 0.00 C ATOM 482 O VAL A 33 5.412 -0.328 -2.373 1.00 0.00 O ATOM 483 CB VAL A 33 5.854 -3.293 -1.085 1.00 0.00 C ATOM 484 CG1 VAL A 33 5.071 -3.498 -2.378 1.00 0.00 C ATOM 485 CG2 VAL A 33 7.312 -3.696 -1.265 1.00 0.00 C ATOM 0 H VAL A 33 3.680 -1.563 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 33 6.322 -1.760 0.382 1.00 0.00 H new ATOM 0 HB VAL A 33 5.421 -3.952 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.210 -4.520 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.012 -3.319 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.431 -2.802 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.363 -4.710 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.796 -3.010 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.822 -3.657 -0.302 1.00 0.00 H new ATOM 495 N PRO A 34 7.442 -0.279 -1.371 1.00 0.00 N ATOM 496 CA PRO A 34 8.033 0.649 -2.335 1.00 0.00 C ATOM 497 C PRO A 34 8.123 -0.015 -3.708 1.00 0.00 C ATOM 498 O PRO A 34 8.779 -1.049 -3.869 1.00 0.00 O ATOM 499 CB PRO A 34 9.436 0.927 -1.763 1.00 0.00 C ATOM 500 CG PRO A 34 9.691 -0.189 -0.815 1.00 0.00 C ATOM 501 CD PRO A 34 8.358 -0.554 -0.249 1.00 0.00 C ATOM 0 HA PRO A 34 7.452 1.561 -2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.187 0.953 -2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.472 1.892 -1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.146 -1.039 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.380 0.116 -0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.321 -1.600 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.114 0.044 0.629 1.00 0.00 H new ATOM 509 N ASP A 35 7.450 0.553 -4.674 1.00 0.00 N ATOM 510 CA ASP A 35 7.369 -0.067 -5.989 1.00 0.00 C ATOM 511 C ASP A 35 8.267 0.654 -6.952 1.00 0.00 C ATOM 512 O ASP A 35 9.039 0.034 -7.690 1.00 0.00 O ATOM 513 CB ASP A 35 5.927 -0.062 -6.497 1.00 0.00 C ATOM 514 CG ASP A 35 5.735 -0.837 -7.793 1.00 0.00 C ATOM 515 OD1 ASP A 35 5.521 -0.221 -8.857 1.00 0.00 O ATOM 516 OD2 ASP A 35 5.784 -2.084 -7.773 1.00 0.00 O ATOM 0 H ASP A 35 6.950 1.438 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 35 7.699 -1.103 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.279 -0.486 -5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.608 0.969 -6.649 1.00 0.00 H new ATOM 521 N VAL A 36 8.183 1.960 -6.940 1.00 0.00 N ATOM 522 CA VAL A 36 9.014 2.763 -7.786 1.00 0.00 C ATOM 523 C VAL A 36 10.141 3.308 -6.945 1.00 0.00 C ATOM 524 O VAL A 36 11.252 2.755 -6.994 1.00 0.00 O ATOM 525 CB VAL A 36 8.245 3.934 -8.439 1.00 0.00 C ATOM 526 CG1 VAL A 36 9.145 4.679 -9.415 1.00 0.00 C ATOM 527 CG2 VAL A 36 7.001 3.433 -9.141 1.00 0.00 C ATOM 528 OXT VAL A 36 9.903 4.235 -6.156 1.00 0.00 O ATOM 0 H VAL A 36 7.542 2.488 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 36 9.384 2.138 -8.599 1.00 0.00 H new ATOM 0 HB VAL A 36 7.938 4.624 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 36 8.590 5.501 -9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.010 5.075 -8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.480 3.995 -10.195 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.475 4.274 -9.593 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.283 2.721 -9.917 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.348 2.943 -8.419 1.00 0.00 H new TER 538 VAL A 36