USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 247 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 NoAdj-H: A 1 THR H1 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 37 PRO C :(NH2R) USER MOD Single : A 1 THR N :NH3+ 121:sc= 0.66 (180deg=-0.383) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00426 USER MOD Single : A 6 THR OG1 : rot 43:sc= 0.0342 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0727 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 98:sc= 0.457 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00967 USER MOD Single : A 27 SER OG : rot -56:sc= 0.457 USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0547) USER MOD Single : A 34 ASN : amide:sc= 1.54 K(o=1.5,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.392 6.979 -0.949 1.00 0.00 N ATOM 2 CA THR A 1 4.680 7.116 -2.171 1.00 0.00 C ATOM 3 C THR A 1 4.174 5.737 -2.518 1.00 0.00 C ATOM 4 O THR A 1 4.488 4.779 -1.814 1.00 0.00 O ATOM 5 CB THR A 1 5.578 7.674 -3.298 1.00 0.00 C ATOM 6 OG1 THR A 1 4.773 8.082 -4.413 1.00 0.00 O ATOM 7 CG2 THR A 1 6.600 6.643 -3.760 1.00 0.00 C ATOM 0 H3 THR A 1 6.376 7.288 -1.084 1.00 0.00 H new ATOM 0 HA THR A 1 3.861 7.827 -2.062 1.00 0.00 H new ATOM 0 HB THR A 1 6.116 8.533 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.350 8.436 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 1 7.214 7.070 -4.553 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.236 6.360 -2.921 1.00 0.00 H new ATOM 0 HG23 THR A 1 6.082 5.761 -4.137 1.00 0.00 H new ATOM 15 N PHE A 2 3.387 5.646 -3.557 1.00 0.00 N ATOM 16 CA PHE A 2 2.822 4.382 -3.989 1.00 0.00 C ATOM 17 C PHE A 2 3.912 3.312 -4.121 1.00 0.00 C ATOM 18 O PHE A 2 4.716 3.331 -5.052 1.00 0.00 O ATOM 19 CB PHE A 2 2.091 4.613 -5.312 1.00 0.00 C ATOM 20 CG PHE A 2 1.753 3.370 -6.093 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.127 2.292 -5.488 1.00 0.00 C ATOM 22 CD2 PHE A 2 2.055 3.291 -7.443 1.00 0.00 C ATOM 23 CE1 PHE A 2 0.810 1.160 -6.214 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.743 2.161 -8.173 1.00 0.00 C ATOM 25 CZ PHE A 2 1.119 1.095 -7.558 1.00 0.00 C ATOM 0 H PHE A 2 3.115 6.443 -4.132 1.00 0.00 H new ATOM 0 HA PHE A 2 2.115 4.013 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.167 5.154 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.706 5.259 -5.939 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.884 2.337 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.540 4.124 -7.930 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.321 0.327 -5.731 1.00 0.00 H new ATOM 0 HE2 PHE A 2 1.987 2.112 -9.224 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.873 0.211 -8.127 1.00 0.00 H new ATOM 35 N CYS A 3 3.944 2.414 -3.137 1.00 0.00 N ATOM 36 CA CYS A 3 4.934 1.343 -3.069 1.00 0.00 C ATOM 37 C CYS A 3 4.988 0.533 -4.363 1.00 0.00 C ATOM 38 O CYS A 3 6.003 0.537 -5.066 1.00 0.00 O ATOM 39 CB CYS A 3 4.608 0.411 -1.899 1.00 0.00 C ATOM 40 SG CYS A 3 4.074 1.276 -0.387 1.00 0.00 S ATOM 0 H CYS A 3 3.281 2.410 -2.362 1.00 0.00 H new ATOM 0 HA CYS A 3 5.910 1.805 -2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.823 -0.280 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.489 -0.189 -1.670 1.00 0.00 H new ATOM 45 N GLY A 4 3.895 -0.150 -4.662 1.00 0.00 N ATOM 46 CA GLY A 4 3.812 -0.963 -5.857 1.00 0.00 C ATOM 47 C GLY A 4 2.576 -1.831 -5.828 1.00 0.00 C ATOM 48 O GLY A 4 1.846 -1.933 -6.814 1.00 0.00 O ATOM 0 H GLY A 4 3.051 -0.155 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.791 -0.322 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.700 -1.589 -5.939 1.00 0.00 H new ATOM 52 N GLU A 5 2.338 -2.445 -4.679 1.00 0.00 N ATOM 53 CA GLU A 5 1.177 -3.301 -4.486 1.00 0.00 C ATOM 54 C GLU A 5 -0.083 -2.460 -4.379 1.00 0.00 C ATOM 55 O GLU A 5 -0.018 -1.249 -4.164 1.00 0.00 O ATOM 56 CB GLU A 5 1.314 -4.131 -3.209 1.00 0.00 C ATOM 57 CG GLU A 5 2.696 -4.711 -2.995 1.00 0.00 C ATOM 58 CD GLU A 5 3.563 -3.790 -2.171 1.00 0.00 C ATOM 59 OE1 GLU A 5 3.487 -3.862 -0.929 1.00 0.00 O ATOM 60 OE2 GLU A 5 4.293 -2.969 -2.761 1.00 0.00 O ATOM 0 H GLU A 5 2.939 -2.365 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 5 1.113 -3.968 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.057 -3.507 -2.353 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.590 -4.945 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.613 -5.677 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.169 -4.891 -3.960 1.00 0.00 H new ATOM 67 N THR A 6 -1.230 -3.107 -4.487 1.00 0.00 N ATOM 68 CA THR A 6 -2.488 -2.410 -4.357 1.00 0.00 C ATOM 69 C THR A 6 -3.391 -3.134 -3.368 1.00 0.00 C ATOM 70 O THR A 6 -3.857 -4.247 -3.614 1.00 0.00 O ATOM 71 CB THR A 6 -3.205 -2.237 -5.706 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.171 -3.457 -6.456 1.00 0.00 O ATOM 73 CG2 THR A 6 -2.566 -1.119 -6.520 1.00 0.00 C ATOM 0 H THR A 6 -1.312 -4.108 -4.663 1.00 0.00 H new ATOM 0 HA THR A 6 -2.266 -1.411 -3.982 1.00 0.00 H new ATOM 0 HB THR A 6 -4.243 -1.974 -5.500 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.357 -4.213 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.090 -1.015 -7.470 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.631 -0.183 -5.966 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.519 -1.358 -6.707 1.00 0.00 H new ATOM 81 N CYS A 7 -3.614 -2.481 -2.247 1.00 0.00 N ATOM 82 CA CYS A 7 -4.444 -3.004 -1.173 1.00 0.00 C ATOM 83 C CYS A 7 -5.935 -2.816 -1.498 1.00 0.00 C ATOM 84 O CYS A 7 -6.619 -2.023 -0.854 1.00 0.00 O ATOM 85 CB CYS A 7 -4.058 -2.291 0.133 1.00 0.00 C ATOM 86 SG CYS A 7 -3.438 -0.601 -0.146 1.00 0.00 S ATOM 0 H CYS A 7 -3.221 -1.561 -2.050 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.276 -4.075 -1.060 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.926 -2.251 0.791 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.294 -2.873 0.648 1.00 0.00 H new ATOM 91 N ARG A 8 -6.406 -3.535 -2.523 1.00 0.00 N ATOM 92 CA ARG A 8 -7.804 -3.453 -2.977 1.00 0.00 C ATOM 93 C ARG A 8 -8.747 -4.136 -2.013 1.00 0.00 C ATOM 94 O ARG A 8 -8.973 -3.660 -0.906 1.00 0.00 O ATOM 95 CB ARG A 8 -7.955 -4.093 -4.356 1.00 0.00 C ATOM 96 CG ARG A 8 -6.937 -3.588 -5.316 1.00 0.00 C ATOM 97 CD ARG A 8 -7.223 -2.157 -5.740 1.00 0.00 C ATOM 98 NE ARG A 8 -6.273 -1.664 -6.735 1.00 0.00 N ATOM 99 CZ ARG A 8 -6.261 -0.407 -7.182 1.00 0.00 C ATOM 100 NH1 ARG A 8 -7.112 0.490 -6.693 1.00 0.00 N ATOM 101 NH2 ARG A 8 -5.385 -0.043 -8.114 1.00 0.00 N ATOM 0 H ARG A 8 -5.835 -4.187 -3.060 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.063 -2.395 -3.027 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.864 -5.175 -4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.953 -3.889 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.949 -3.641 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.917 -4.231 -6.196 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.233 -2.098 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.194 -1.510 -4.863 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.582 -2.316 -7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.780 0.219 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.097 1.449 -7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.724 -0.724 -8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.375 0.918 -8.457 1.00 0.00 H new ATOM 115 N VAL A 9 -9.310 -5.261 -2.439 1.00 0.00 N ATOM 116 CA VAL A 9 -10.224 -5.968 -1.592 1.00 0.00 C ATOM 117 C VAL A 9 -9.446 -6.933 -0.703 1.00 0.00 C ATOM 118 O VAL A 9 -9.960 -7.490 0.266 1.00 0.00 O ATOM 119 CB VAL A 9 -11.329 -6.699 -2.395 1.00 0.00 C ATOM 120 CG1 VAL A 9 -10.754 -7.850 -3.205 1.00 0.00 C ATOM 121 CG2 VAL A 9 -12.443 -7.184 -1.476 1.00 0.00 C ATOM 0 H VAL A 9 -9.145 -5.686 -3.351 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.741 -5.241 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.757 -5.981 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.555 -8.342 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.012 -7.467 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.282 -8.567 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.205 -7.693 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.032 -7.875 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.890 -6.331 -0.964 1.00 0.00 H new ATOM 131 N ILE A 10 -8.172 -7.053 -1.026 1.00 0.00 N ATOM 132 CA ILE A 10 -7.232 -7.858 -0.273 1.00 0.00 C ATOM 133 C ILE A 10 -6.044 -6.958 0.045 1.00 0.00 C ATOM 134 O ILE A 10 -4.992 -7.033 -0.587 1.00 0.00 O ATOM 135 CB ILE A 10 -6.770 -9.144 -1.026 1.00 0.00 C ATOM 136 CG1 ILE A 10 -6.219 -8.840 -2.438 1.00 0.00 C ATOM 137 CG2 ILE A 10 -7.911 -10.150 -1.102 1.00 0.00 C ATOM 138 CD1 ILE A 10 -7.272 -8.544 -3.489 1.00 0.00 C ATOM 0 H ILE A 10 -7.756 -6.586 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.718 -8.225 0.631 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.949 -9.574 -0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.544 -7.987 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.625 -9.691 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.575 -11.042 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.225 -10.421 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.751 -9.707 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.787 -8.344 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.935 -9.403 -3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.852 -7.672 -3.187 1.00 0.00 H new ATOM 150 N PRO A 11 -6.234 -6.016 0.987 1.00 0.00 N ATOM 151 CA PRO A 11 -5.211 -5.040 1.333 1.00 0.00 C ATOM 152 C PRO A 11 -4.003 -5.604 2.054 1.00 0.00 C ATOM 153 O PRO A 11 -3.632 -6.766 1.904 1.00 0.00 O ATOM 154 CB PRO A 11 -5.933 -4.044 2.250 1.00 0.00 C ATOM 155 CG PRO A 11 -7.377 -4.323 2.086 1.00 0.00 C ATOM 156 CD PRO A 11 -7.476 -5.780 1.743 1.00 0.00 C ATOM 0 HA PRO A 11 -4.800 -4.610 0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.625 -4.173 3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.699 -3.016 1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.925 -4.099 3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.807 -3.706 1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.532 -6.404 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.362 -5.997 1.146 1.00 0.00 H new ATOM 164 N VAL A 12 -3.401 -4.723 2.835 1.00 0.00 N ATOM 165 CA VAL A 12 -2.221 -5.020 3.612 1.00 0.00 C ATOM 166 C VAL A 12 -1.057 -5.393 2.708 1.00 0.00 C ATOM 167 O VAL A 12 -0.711 -6.563 2.547 1.00 0.00 O ATOM 168 CB VAL A 12 -2.453 -6.123 4.672 1.00 0.00 C ATOM 169 CG1 VAL A 12 -1.243 -6.258 5.587 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.708 -5.838 5.485 1.00 0.00 C ATOM 0 H VAL A 12 -3.729 -3.764 2.945 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.976 -4.107 4.155 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.593 -7.068 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.429 -7.039 6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.366 -6.520 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.066 -5.312 6.098 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.850 -6.627 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.602 -4.880 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.572 -5.803 4.821 1.00 0.00 H new ATOM 180 N CYS A 13 -0.476 -4.363 2.118 1.00 0.00 N ATOM 181 CA CYS A 13 0.657 -4.500 1.212 1.00 0.00 C ATOM 182 C CYS A 13 1.796 -5.271 1.884 1.00 0.00 C ATOM 183 O CYS A 13 2.517 -4.729 2.720 1.00 0.00 O ATOM 184 CB CYS A 13 1.120 -3.102 0.826 1.00 0.00 C ATOM 185 SG CYS A 13 -0.240 -1.888 0.832 1.00 0.00 S ATOM 0 H CYS A 13 -0.778 -3.398 2.254 1.00 0.00 H new ATOM 0 HA CYS A 13 0.360 -5.059 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.896 -2.776 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.570 -3.133 -0.166 1.00 0.00 H new ATOM 190 N THR A 14 1.911 -6.548 1.551 1.00 0.00 N ATOM 191 CA THR A 14 2.911 -7.422 2.147 1.00 0.00 C ATOM 192 C THR A 14 4.270 -7.387 1.440 1.00 0.00 C ATOM 193 O THR A 14 5.265 -7.850 1.994 1.00 0.00 O ATOM 194 CB THR A 14 2.390 -8.867 2.177 1.00 0.00 C ATOM 195 OG1 THR A 14 1.562 -9.102 1.030 1.00 0.00 O ATOM 196 CG2 THR A 14 1.597 -9.131 3.448 1.00 0.00 C ATOM 0 H THR A 14 1.315 -7.007 0.862 1.00 0.00 H new ATOM 0 HA THR A 14 3.076 -7.046 3.157 1.00 0.00 H new ATOM 0 HB THR A 14 3.244 -9.545 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.231 -10.024 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.239 -10.160 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.237 -8.971 4.316 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.746 -8.451 3.494 1.00 0.00 H new ATOM 204 N TYR A 15 4.324 -6.847 0.229 1.00 0.00 N ATOM 205 CA TYR A 15 5.581 -6.785 -0.508 1.00 0.00 C ATOM 206 C TYR A 15 6.447 -5.663 0.040 1.00 0.00 C ATOM 207 O TYR A 15 7.596 -5.871 0.431 1.00 0.00 O ATOM 208 CB TYR A 15 5.311 -6.572 -2.001 1.00 0.00 C ATOM 209 CG TYR A 15 6.555 -6.533 -2.857 1.00 0.00 C ATOM 210 CD1 TYR A 15 7.361 -7.653 -2.989 1.00 0.00 C ATOM 211 CD2 TYR A 15 6.925 -5.374 -3.528 1.00 0.00 C ATOM 212 CE1 TYR A 15 8.502 -7.624 -3.768 1.00 0.00 C ATOM 213 CE2 TYR A 15 8.064 -5.335 -4.310 1.00 0.00 C ATOM 214 CZ TYR A 15 8.849 -6.463 -4.427 1.00 0.00 C ATOM 215 OH TYR A 15 9.984 -6.429 -5.203 1.00 0.00 O ATOM 0 H TYR A 15 3.522 -6.450 -0.260 1.00 0.00 H new ATOM 0 HA TYR A 15 6.111 -7.730 -0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.662 -7.372 -2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.765 -5.637 -2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.093 -8.564 -2.474 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.313 -4.489 -3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.119 -8.506 -3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.338 -4.427 -4.826 1.00 0.00 H new ATOM 0 HH TYR A 15 10.084 -5.538 -5.598 1.00 0.00 H new ATOM 225 N SER A 16 5.872 -4.480 0.086 1.00 0.00 N ATOM 226 CA SER A 16 6.556 -3.309 0.598 1.00 0.00 C ATOM 227 C SER A 16 6.310 -3.163 2.093 1.00 0.00 C ATOM 228 O SER A 16 6.511 -2.095 2.679 1.00 0.00 O ATOM 229 CB SER A 16 6.106 -2.076 -0.170 1.00 0.00 C ATOM 230 OG SER A 16 6.470 -2.168 -1.536 1.00 0.00 O ATOM 0 H SER A 16 4.919 -4.302 -0.230 1.00 0.00 H new ATOM 0 HA SER A 16 7.630 -3.423 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.025 -1.964 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.554 -1.185 0.270 1.00 0.00 H new ATOM 0 HG SER A 16 5.703 -2.482 -2.059 1.00 0.00 H new ATOM 236 N ALA A 17 5.895 -4.262 2.709 1.00 0.00 N ATOM 237 CA ALA A 17 5.633 -4.290 4.139 1.00 0.00 C ATOM 238 C ALA A 17 6.917 -4.051 4.928 1.00 0.00 C ATOM 239 O ALA A 17 6.874 -3.566 6.054 1.00 0.00 O ATOM 240 CB ALA A 17 5.003 -5.613 4.546 1.00 0.00 C ATOM 0 H ALA A 17 5.732 -5.151 2.236 1.00 0.00 H new ATOM 0 HA ALA A 17 4.931 -3.488 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.816 -5.612 5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.061 -5.747 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.680 -6.430 4.297 1.00 0.00 H new ATOM 246 N ALA A 18 8.058 -4.387 4.319 1.00 0.00 N ATOM 247 CA ALA A 18 9.364 -4.200 4.955 1.00 0.00 C ATOM 248 C ALA A 18 9.554 -2.739 5.348 1.00 0.00 C ATOM 249 O ALA A 18 9.994 -2.429 6.451 1.00 0.00 O ATOM 250 CB ALA A 18 10.476 -4.653 4.021 1.00 0.00 C ATOM 0 H ALA A 18 8.103 -4.791 3.384 1.00 0.00 H new ATOM 0 HA ALA A 18 9.405 -4.809 5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.441 -4.508 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.344 -5.709 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.441 -4.067 3.102 1.00 0.00 H new ATOM 256 N LEU A 19 9.173 -1.850 4.440 1.00 0.00 N ATOM 257 CA LEU A 19 9.242 -0.412 4.677 1.00 0.00 C ATOM 258 C LEU A 19 8.167 0.046 5.634 1.00 0.00 C ATOM 259 O LEU A 19 8.228 1.149 6.162 1.00 0.00 O ATOM 260 CB LEU A 19 9.092 0.367 3.371 1.00 0.00 C ATOM 261 CG LEU A 19 10.391 0.782 2.690 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.344 -0.395 2.545 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.101 1.405 1.333 1.00 0.00 C ATOM 0 H LEU A 19 8.809 -2.103 3.521 1.00 0.00 H new ATOM 0 HA LEU A 19 10.221 -0.215 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.516 -0.240 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.507 1.264 3.571 1.00 0.00 H new ATOM 0 HG LEU A 19 10.877 1.525 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.260 -0.064 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.583 -0.793 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.873 -1.173 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.038 1.696 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.585 0.681 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.472 2.285 1.464 1.00 0.00 H new ATOM 275 N GLY A 20 7.166 -0.787 5.812 1.00 0.00 N ATOM 276 CA GLY A 20 6.059 -0.433 6.659 1.00 0.00 C ATOM 277 C GLY A 20 5.039 0.327 5.853 1.00 0.00 C ATOM 278 O GLY A 20 4.379 1.236 6.355 1.00 0.00 O ATOM 0 H GLY A 20 7.099 -1.709 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.609 -1.331 7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.405 0.175 7.495 1.00 0.00 H new ATOM 282 N CYS A 21 4.939 -0.059 4.580 1.00 0.00 N ATOM 283 CA CYS A 21 4.020 0.557 3.641 1.00 0.00 C ATOM 284 C CYS A 21 2.599 0.594 4.181 1.00 0.00 C ATOM 285 O CYS A 21 1.930 -0.434 4.305 1.00 0.00 O ATOM 286 CB CYS A 21 4.087 -0.172 2.292 1.00 0.00 C ATOM 287 SG CYS A 21 5.265 0.567 1.108 1.00 0.00 S ATOM 0 H CYS A 21 5.498 -0.811 4.177 1.00 0.00 H new ATOM 0 HA CYS A 21 4.325 1.593 3.495 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.366 -1.211 2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.093 -0.179 1.844 1.00 0.00 H new ATOM 292 N THR A 22 2.153 1.799 4.500 1.00 0.00 N ATOM 293 CA THR A 22 0.833 2.012 5.025 1.00 0.00 C ATOM 294 C THR A 22 -0.141 2.340 3.912 1.00 0.00 C ATOM 295 O THR A 22 0.105 3.195 3.062 1.00 0.00 O ATOM 296 CB THR A 22 0.809 3.133 6.074 1.00 0.00 C ATOM 297 OG1 THR A 22 1.544 4.270 5.600 1.00 0.00 O ATOM 298 CG2 THR A 22 1.394 2.656 7.395 1.00 0.00 C ATOM 0 H THR A 22 2.704 2.651 4.398 1.00 0.00 H new ATOM 0 HA THR A 22 0.530 1.084 5.510 1.00 0.00 H new ATOM 0 HB THR A 22 -0.230 3.419 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.521 4.979 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.365 3.469 8.120 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.810 1.815 7.769 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.427 2.342 7.243 1.00 0.00 H new ATOM 306 N CYS A 23 -1.240 1.640 3.927 1.00 0.00 N ATOM 307 CA CYS A 23 -2.286 1.822 2.944 1.00 0.00 C ATOM 308 C CYS A 23 -3.310 2.839 3.454 1.00 0.00 C ATOM 309 O CYS A 23 -2.962 3.917 3.929 1.00 0.00 O ATOM 310 CB CYS A 23 -2.939 0.462 2.646 1.00 0.00 C ATOM 311 SG CYS A 23 -4.236 0.485 1.362 1.00 0.00 S ATOM 0 H CYS A 23 -1.442 0.922 4.622 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.866 2.213 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.161 -0.237 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.371 0.075 3.569 1.00 0.00 H new ATOM 316 N ASP A 24 -4.564 2.452 3.360 1.00 0.00 N ATOM 317 CA ASP A 24 -5.698 3.249 3.802 1.00 0.00 C ATOM 318 C ASP A 24 -6.795 2.284 4.240 1.00 0.00 C ATOM 319 O ASP A 24 -7.341 2.399 5.333 1.00 0.00 O ATOM 320 CB ASP A 24 -6.173 4.165 2.665 1.00 0.00 C ATOM 321 CG ASP A 24 -7.471 4.883 2.974 1.00 0.00 C ATOM 322 OD1 ASP A 24 -7.598 5.464 4.071 1.00 0.00 O ATOM 323 OD2 ASP A 24 -8.367 4.883 2.107 1.00 0.00 O ATOM 0 H ASP A 24 -4.834 1.552 2.964 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.423 3.893 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.399 4.903 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.301 3.572 1.760 1.00 0.00 H new ATOM 328 N ASP A 25 -7.046 1.298 3.373 1.00 0.00 N ATOM 329 CA ASP A 25 -8.019 0.217 3.606 1.00 0.00 C ATOM 330 C ASP A 25 -9.371 0.714 4.038 1.00 0.00 C ATOM 331 O ASP A 25 -9.666 0.919 5.217 1.00 0.00 O ATOM 332 CB ASP A 25 -7.462 -0.822 4.584 1.00 0.00 C ATOM 333 CG ASP A 25 -8.288 -2.094 4.639 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.282 -2.198 3.893 1.00 0.00 O ATOM 335 OD2 ASP A 25 -7.910 -3.006 5.406 1.00 0.00 O ATOM 0 H ASP A 25 -6.572 1.224 2.473 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.176 -0.268 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.441 -1.072 4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.414 -0.384 5.581 1.00 0.00 H new ATOM 340 N ARG A 26 -10.194 0.885 3.026 1.00 0.00 N ATOM 341 CA ARG A 26 -11.550 1.343 3.170 1.00 0.00 C ATOM 342 C ARG A 26 -12.315 0.837 1.961 1.00 0.00 C ATOM 343 O ARG A 26 -12.373 -0.363 1.708 1.00 0.00 O ATOM 344 CB ARG A 26 -11.602 2.870 3.206 1.00 0.00 C ATOM 345 CG ARG A 26 -10.371 3.557 3.777 1.00 0.00 C ATOM 346 CD ARG A 26 -10.525 3.901 5.250 1.00 0.00 C ATOM 347 NE ARG A 26 -11.410 5.052 5.458 1.00 0.00 N ATOM 348 CZ ARG A 26 -11.126 6.299 5.062 1.00 0.00 C ATOM 349 NH1 ARG A 26 -9.958 6.582 4.493 1.00 0.00 N ATOM 350 NH2 ARG A 26 -12.011 7.273 5.260 1.00 0.00 N ATOM 0 H ARG A 26 -9.927 0.704 2.058 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.981 0.973 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.761 3.234 2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.469 3.172 3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.505 2.909 3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.174 4.469 3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.922 3.038 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.545 4.116 5.676 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.298 4.892 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.267 5.845 4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.753 7.536 4.196 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.902 7.068 5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.798 8.224 4.960 1.00 0.00 H new ATOM 364 N SER A 27 -12.821 1.757 1.164 1.00 0.00 N ATOM 365 CA SER A 27 -13.490 1.409 -0.071 1.00 0.00 C ATOM 366 C SER A 27 -12.415 1.365 -1.154 1.00 0.00 C ATOM 367 O SER A 27 -12.529 2.018 -2.193 1.00 0.00 O ATOM 368 CB SER A 27 -14.573 2.443 -0.392 1.00 0.00 C ATOM 369 OG SER A 27 -15.206 2.170 -1.630 1.00 0.00 O ATOM 0 H SER A 27 -12.780 2.759 1.353 1.00 0.00 H new ATOM 0 HA SER A 27 -13.990 0.443 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.318 2.450 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.129 3.438 -0.422 1.00 0.00 H new ATOM 0 HG SER A 27 -14.531 2.121 -2.339 1.00 0.00 H new ATOM 375 N ASP A 28 -11.346 0.624 -0.830 1.00 0.00 N ATOM 376 CA ASP A 28 -10.154 0.477 -1.667 1.00 0.00 C ATOM 377 C ASP A 28 -9.259 1.700 -1.494 1.00 0.00 C ATOM 378 O ASP A 28 -9.747 2.826 -1.378 1.00 0.00 O ATOM 379 CB ASP A 28 -10.493 0.245 -3.146 1.00 0.00 C ATOM 380 CG ASP A 28 -9.250 0.088 -3.999 1.00 0.00 C ATOM 381 OD1 ASP A 28 -8.312 -0.605 -3.559 1.00 0.00 O ATOM 382 OD2 ASP A 28 -9.215 0.626 -5.125 1.00 0.00 O ATOM 0 H ASP A 28 -11.288 0.099 0.043 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.622 -0.415 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.111 -0.648 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.084 1.082 -3.518 1.00 0.00 H new ATOM 387 N GLY A 29 -7.951 1.481 -1.438 1.00 0.00 N ATOM 388 CA GLY A 29 -7.035 2.585 -1.244 1.00 0.00 C ATOM 389 C GLY A 29 -5.816 2.511 -2.123 1.00 0.00 C ATOM 390 O GLY A 29 -5.919 2.344 -3.338 1.00 0.00 O ATOM 0 H GLY A 29 -7.512 0.564 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.559 3.521 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.721 2.608 -0.201 1.00 0.00 H new ATOM 394 N LEU A 30 -4.651 2.672 -1.508 1.00 0.00 N ATOM 395 CA LEU A 30 -3.405 2.667 -2.246 1.00 0.00 C ATOM 396 C LEU A 30 -2.208 2.606 -1.283 1.00 0.00 C ATOM 397 O LEU A 30 -2.110 3.404 -0.349 1.00 0.00 O ATOM 398 CB LEU A 30 -3.383 3.938 -3.104 1.00 0.00 C ATOM 399 CG LEU A 30 -2.393 3.978 -4.273 1.00 0.00 C ATOM 400 CD1 LEU A 30 -0.991 4.277 -3.789 1.00 0.00 C ATOM 401 CD2 LEU A 30 -2.426 2.668 -5.047 1.00 0.00 C ATOM 0 H LEU A 30 -4.548 2.807 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.330 1.788 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.385 4.092 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.168 4.783 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.695 4.783 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.310 4.299 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.978 5.245 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.674 3.502 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.717 2.716 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.156 1.846 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.429 2.502 -5.440 1.00 0.00 H new ATOM 413 N CYS A 31 -1.319 1.642 -1.520 1.00 0.00 N ATOM 414 CA CYS A 31 -0.126 1.426 -0.690 1.00 0.00 C ATOM 415 C CYS A 31 0.826 2.624 -0.722 1.00 0.00 C ATOM 416 O CYS A 31 1.079 3.196 -1.782 1.00 0.00 O ATOM 417 CB CYS A 31 0.602 0.176 -1.183 1.00 0.00 C ATOM 418 SG CYS A 31 -0.405 -1.335 -1.107 1.00 0.00 S ATOM 0 H CYS A 31 -1.403 0.984 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.452 1.299 0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.924 0.336 -2.212 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.503 0.032 -0.586 1.00 0.00 H new ATOM 423 N LYS A 32 1.352 3.004 0.439 1.00 0.00 N ATOM 424 CA LYS A 32 2.265 4.137 0.528 1.00 0.00 C ATOM 425 C LYS A 32 3.507 3.768 1.350 1.00 0.00 C ATOM 426 O LYS A 32 3.406 3.106 2.374 1.00 0.00 O ATOM 427 CB LYS A 32 1.520 5.322 1.133 1.00 0.00 C ATOM 428 CG LYS A 32 1.905 6.663 0.531 1.00 0.00 C ATOM 429 CD LYS A 32 1.671 6.658 -0.977 1.00 0.00 C ATOM 430 CE LYS A 32 0.258 6.232 -1.335 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.776 7.042 -0.633 1.00 0.00 N ATOM 0 H LYS A 32 1.161 2.544 1.329 1.00 0.00 H new ATOM 0 HA LYS A 32 2.614 4.412 -0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.449 5.170 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.710 5.349 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.319 7.458 0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.953 6.876 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.861 7.654 -1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.384 5.984 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.116 6.322 -2.412 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.124 5.180 -1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.636 7.087 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.000 6.601 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.414 8.004 -0.474 1.00 0.00 H new ATOM 445 N ARG A 33 4.679 4.152 0.845 1.00 0.00 N ATOM 446 CA ARG A 33 5.969 3.817 1.469 1.00 0.00 C ATOM 447 C ARG A 33 6.314 4.689 2.680 1.00 0.00 C ATOM 448 O ARG A 33 5.464 5.365 3.250 1.00 0.00 O ATOM 449 CB ARG A 33 7.091 4.002 0.435 1.00 0.00 C ATOM 450 CG ARG A 33 6.964 3.157 -0.820 1.00 0.00 C ATOM 451 CD ARG A 33 7.948 3.618 -1.888 1.00 0.00 C ATOM 452 NE ARG A 33 7.722 2.953 -3.170 1.00 0.00 N ATOM 453 CZ ARG A 33 8.338 3.284 -4.307 1.00 0.00 C ATOM 454 NH1 ARG A 33 9.223 4.280 -4.336 1.00 0.00 N ATOM 455 NH2 ARG A 33 8.056 2.622 -5.426 1.00 0.00 N ATOM 0 H ARG A 33 4.766 4.704 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 33 5.881 2.786 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.125 5.052 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.044 3.773 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.148 2.110 -0.578 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.946 3.222 -1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.860 4.696 -2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.966 3.420 -1.552 1.00 0.00 H new ATOM 0 HE ARG A 33 7.050 2.186 -3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.436 4.798 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.688 4.524 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.372 1.866 -5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.524 2.871 -6.298 1.00 0.00 H new ATOM 469 N ASN A 34 7.610 4.674 3.013 1.00 0.00 N ATOM 470 CA ASN A 34 8.201 5.455 4.104 1.00 0.00 C ATOM 471 C ASN A 34 9.626 5.770 3.686 1.00 0.00 C ATOM 472 O ASN A 34 10.218 5.001 2.930 1.00 0.00 O ATOM 473 CB ASN A 34 8.216 4.701 5.420 1.00 0.00 C ATOM 474 CG ASN A 34 6.835 4.421 5.971 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.056 5.334 6.233 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.540 3.151 6.169 1.00 0.00 N ATOM 0 H ASN A 34 8.294 4.103 2.517 1.00 0.00 H new ATOM 0 HA ASN A 34 7.605 6.353 4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.742 3.756 5.282 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.781 5.277 6.153 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.632 2.893 6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.220 2.427 5.936 1.00 0.00 H new ATOM 483 N GLY A 35 10.150 6.925 4.087 1.00 0.00 N ATOM 484 CA GLY A 35 11.480 7.331 3.631 1.00 0.00 C ATOM 485 C GLY A 35 11.326 7.958 2.259 1.00 0.00 C ATOM 486 O GLY A 35 11.859 9.023 1.961 1.00 0.00 O ATOM 0 H GLY A 35 9.688 7.585 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.923 8.042 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.148 6.471 3.585 1.00 0.00 H new ATOM 490 N ASP A 36 10.489 7.288 1.488 1.00 0.00 N ATOM 491 CA ASP A 36 10.060 7.679 0.161 1.00 0.00 C ATOM 492 C ASP A 36 8.556 7.352 0.093 1.00 0.00 C ATOM 493 O ASP A 36 8.114 6.587 -0.762 1.00 0.00 O ATOM 494 CB ASP A 36 10.836 6.885 -0.903 1.00 0.00 C ATOM 495 CG ASP A 36 10.376 7.164 -2.326 1.00 0.00 C ATOM 496 OD1 ASP A 36 9.798 8.240 -2.575 1.00 0.00 O ATOM 497 OD2 ASP A 36 10.600 6.293 -3.199 1.00 0.00 O ATOM 0 H ASP A 36 10.068 6.409 1.789 1.00 0.00 H new ATOM 0 HA ASP A 36 10.246 8.736 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.897 7.122 -0.820 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.731 5.820 -0.698 1.00 0.00 H new ATOM 502 N PRO A 37 7.747 7.852 1.071 1.00 0.00 N ATOM 503 CA PRO A 37 6.306 7.545 1.166 1.00 0.00 C ATOM 504 C PRO A 37 5.514 7.945 -0.063 1.00 0.00 C ATOM 505 O PRO A 37 5.024 9.065 -0.192 1.00 0.00 O ATOM 506 CB PRO A 37 5.878 8.310 2.426 1.00 0.00 C ATOM 507 CG PRO A 37 7.127 8.259 3.219 1.00 0.00 C ATOM 508 CD PRO A 37 8.150 8.687 2.219 1.00 0.00 C ATOM 0 HA PRO A 37 6.113 6.474 1.226 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.571 9.332 2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.044 7.830 2.938 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.092 8.929 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.326 7.258 3.603 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.097 9.753 1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.168 8.480 2.549 1.00 0.00 H new