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= 0.694 (180deg=-0.187) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 6 THR OG1 : rot -150:sc= 0.889 USER MOD Single : A 14 THR OG1 : rot 19:sc= 1.05 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 90:sc= 1.26 USER MOD Single : A 22 THR OG1 : rot 86:sc= 0.628 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 173:sc=-0.00191 (180deg=-0.059) USER MOD Single : A 34 ASN : amide:sc= -1.4! C(o=-1.4!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.133 7.086 -0.979 1.00 0.00 N ATOM 2 CA THR A 1 4.394 7.217 -2.194 1.00 0.00 C ATOM 3 C THR A 1 3.911 5.825 -2.510 1.00 0.00 C ATOM 4 O THR A 1 4.170 4.915 -1.737 1.00 0.00 O ATOM 5 CB THR A 1 5.264 7.777 -3.344 1.00 0.00 C ATOM 6 OG1 THR A 1 4.438 8.116 -4.465 1.00 0.00 O ATOM 7 CG2 THR A 1 6.328 6.774 -3.777 1.00 0.00 C ATOM 0 H3 THR A 1 6.111 7.407 -1.131 1.00 0.00 H new ATOM 0 HA THR A 1 3.572 7.924 -2.083 1.00 0.00 H new ATOM 0 HB THR A 1 5.767 8.671 -2.976 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.997 8.471 -5.188 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.921 7.200 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 1 6.978 6.545 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.847 5.859 -4.122 1.00 0.00 H new ATOM 15 N PHE A 2 3.208 5.659 -3.593 1.00 0.00 N ATOM 16 CA PHE A 2 2.682 4.358 -3.972 1.00 0.00 C ATOM 17 C PHE A 2 3.765 3.269 -3.896 1.00 0.00 C ATOM 18 O PHE A 2 4.680 3.224 -4.718 1.00 0.00 O ATOM 19 CB PHE A 2 2.091 4.483 -5.370 1.00 0.00 C ATOM 20 CG PHE A 2 1.783 3.184 -6.062 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.100 2.170 -5.410 1.00 0.00 C ATOM 22 CD2 PHE A 2 2.170 2.985 -7.377 1.00 0.00 C ATOM 23 CE1 PHE A 2 0.811 0.985 -6.056 1.00 0.00 C ATOM 24 CE2 PHE A 2 1.886 1.801 -8.027 1.00 0.00 C ATOM 25 CZ PHE A 2 1.204 0.800 -7.367 1.00 0.00 C ATOM 0 H PHE A 2 2.978 6.411 -4.243 1.00 0.00 H new ATOM 0 HA PHE A 2 1.904 4.049 -3.274 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.173 5.067 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.786 5.049 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.790 2.308 -4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.701 3.766 -7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.278 0.203 -5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 2 2.197 1.658 -9.051 1.00 0.00 H new ATOM 0 HZ PHE A 2 0.978 -0.126 -7.874 1.00 0.00 H new ATOM 35 N CYS A 3 3.657 2.429 -2.859 1.00 0.00 N ATOM 36 CA CYS A 3 4.614 1.348 -2.603 1.00 0.00 C ATOM 37 C CYS A 3 4.858 0.499 -3.852 1.00 0.00 C ATOM 38 O CYS A 3 5.930 0.559 -4.459 1.00 0.00 O ATOM 39 CB CYS A 3 4.119 0.427 -1.472 1.00 0.00 C ATOM 40 SG CYS A 3 3.648 1.247 0.089 1.00 0.00 S ATOM 0 H CYS A 3 2.903 2.481 -2.174 1.00 0.00 H new ATOM 0 HA CYS A 3 5.549 1.825 -2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.258 -0.132 -1.838 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.902 -0.299 -1.254 1.00 0.00 H new ATOM 45 N GLY A 4 3.856 -0.286 -4.216 1.00 0.00 N ATOM 46 CA GLY A 4 3.941 -1.153 -5.374 1.00 0.00 C ATOM 47 C GLY A 4 2.686 -1.980 -5.478 1.00 0.00 C ATOM 48 O GLY A 4 2.081 -2.100 -6.542 1.00 0.00 O ATOM 0 H GLY A 4 2.967 -0.338 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.073 -0.558 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.812 -1.803 -5.291 1.00 0.00 H new ATOM 52 N GLU A 5 2.276 -2.516 -4.340 1.00 0.00 N ATOM 53 CA GLU A 5 1.061 -3.300 -4.247 1.00 0.00 C ATOM 54 C GLU A 5 -0.125 -2.365 -4.092 1.00 0.00 C ATOM 55 O GLU A 5 0.046 -1.158 -3.907 1.00 0.00 O ATOM 56 CB GLU A 5 1.130 -4.233 -3.045 1.00 0.00 C ATOM 57 CG GLU A 5 2.152 -5.342 -3.188 1.00 0.00 C ATOM 58 CD GLU A 5 2.582 -5.870 -1.844 1.00 0.00 C ATOM 59 OE1 GLU A 5 3.028 -5.055 -1.015 1.00 0.00 O ATOM 60 OE2 GLU A 5 2.488 -7.088 -1.605 1.00 0.00 O ATOM 0 H GLU A 5 2.777 -2.419 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 5 0.949 -3.896 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.365 -3.648 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.147 -4.676 -2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.730 -6.153 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.022 -4.970 -3.730 1.00 0.00 H new ATOM 67 N THR A 6 -1.322 -2.913 -4.138 1.00 0.00 N ATOM 68 CA THR A 6 -2.512 -2.108 -3.974 1.00 0.00 C ATOM 69 C THR A 6 -3.428 -2.702 -2.918 1.00 0.00 C ATOM 70 O THR A 6 -4.019 -3.765 -3.112 1.00 0.00 O ATOM 71 CB THR A 6 -3.281 -1.960 -5.294 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.166 -3.163 -6.072 1.00 0.00 O ATOM 73 CG2 THR A 6 -2.763 -0.777 -6.098 1.00 0.00 C ATOM 0 H THR A 6 -1.495 -3.907 -4.287 1.00 0.00 H new ATOM 0 HA THR A 6 -2.186 -1.119 -3.651 1.00 0.00 H new ATOM 0 HB THR A 6 -4.330 -1.783 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.212 -2.942 -7.026 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.325 -0.695 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.885 0.138 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.707 -0.925 -6.324 1.00 0.00 H new ATOM 81 N CYS A 7 -3.552 -1.997 -1.807 1.00 0.00 N ATOM 82 CA CYS A 7 -4.407 -2.433 -0.716 1.00 0.00 C ATOM 83 C CYS A 7 -5.855 -2.006 -0.988 1.00 0.00 C ATOM 84 O CYS A 7 -6.422 -1.175 -0.284 1.00 0.00 O ATOM 85 CB CYS A 7 -3.887 -1.906 0.642 1.00 0.00 C ATOM 86 SG CYS A 7 -3.200 -0.214 0.606 1.00 0.00 S ATOM 0 H CYS A 7 -3.069 -1.115 -1.636 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.384 -3.521 -0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.705 -1.934 1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.117 -2.586 1.007 1.00 0.00 H new ATOM 91 N ARG A 8 -6.417 -2.580 -2.052 1.00 0.00 N ATOM 92 CA ARG A 8 -7.785 -2.291 -2.497 1.00 0.00 C ATOM 93 C ARG A 8 -8.813 -3.187 -1.816 1.00 0.00 C ATOM 94 O ARG A 8 -9.005 -3.128 -0.609 1.00 0.00 O ATOM 95 CB ARG A 8 -7.875 -2.453 -4.021 1.00 0.00 C ATOM 96 CG ARG A 8 -7.078 -3.623 -4.570 1.00 0.00 C ATOM 97 CD ARG A 8 -6.700 -3.393 -6.024 1.00 0.00 C ATOM 98 NE ARG A 8 -5.684 -4.343 -6.481 1.00 0.00 N ATOM 99 CZ ARG A 8 -5.932 -5.613 -6.805 1.00 0.00 C ATOM 100 NH1 ARG A 8 -7.182 -6.068 -6.828 1.00 0.00 N ATOM 101 NH2 ARG A 8 -4.927 -6.420 -7.130 1.00 0.00 N ATOM 0 H ARG A 8 -5.934 -3.264 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.015 -1.263 -2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.921 -2.577 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.525 -1.535 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.176 -3.764 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.663 -4.538 -4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.589 -3.483 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.327 -2.376 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.722 -4.012 -6.557 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.956 -5.445 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.366 -7.040 -7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.970 -6.068 -7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.113 -7.392 -7.378 1.00 0.00 H new ATOM 115 N VAL A 9 -9.463 -4.027 -2.612 1.00 0.00 N ATOM 116 CA VAL A 9 -10.479 -4.956 -2.105 1.00 0.00 C ATOM 117 C VAL A 9 -9.815 -6.251 -1.646 1.00 0.00 C ATOM 118 O VAL A 9 -10.452 -7.290 -1.492 1.00 0.00 O ATOM 119 CB VAL A 9 -11.544 -5.272 -3.177 1.00 0.00 C ATOM 120 CG1 VAL A 9 -12.344 -4.024 -3.517 1.00 0.00 C ATOM 121 CG2 VAL A 9 -10.897 -5.850 -4.429 1.00 0.00 C ATOM 0 H VAL A 9 -9.307 -4.088 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.978 -4.477 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.225 -6.020 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.090 -4.265 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.843 -3.656 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.673 -3.255 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.667 -6.065 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.190 -5.129 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.371 -6.770 -4.175 1.00 0.00 H new ATOM 131 N ILE A 10 -8.525 -6.118 -1.408 1.00 0.00 N ATOM 132 CA ILE A 10 -7.634 -7.167 -0.930 1.00 0.00 C ATOM 133 C ILE A 10 -6.360 -6.462 -0.493 1.00 0.00 C ATOM 134 O ILE A 10 -5.332 -6.535 -1.166 1.00 0.00 O ATOM 135 CB ILE A 10 -7.294 -8.236 -2.005 1.00 0.00 C ATOM 136 CG1 ILE A 10 -7.174 -7.600 -3.397 1.00 0.00 C ATOM 137 CG2 ILE A 10 -8.323 -9.359 -2.004 1.00 0.00 C ATOM 138 CD1 ILE A 10 -6.745 -8.572 -4.476 1.00 0.00 C ATOM 0 H ILE A 10 -8.041 -5.231 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.124 -7.713 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.326 -8.669 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.135 -7.166 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.456 -6.781 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.061 -10.093 -2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.336 -9.840 -1.026 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.310 -8.949 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.682 -8.051 -5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.769 -8.987 -4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.474 -9.379 -4.550 1.00 0.00 H new ATOM 150 N PRO A 11 -6.446 -5.678 0.593 1.00 0.00 N ATOM 151 CA PRO A 11 -5.331 -4.867 1.072 1.00 0.00 C ATOM 152 C PRO A 11 -4.189 -5.629 1.713 1.00 0.00 C ATOM 153 O PRO A 11 -3.884 -6.767 1.362 1.00 0.00 O ATOM 154 CB PRO A 11 -5.970 -3.940 2.111 1.00 0.00 C ATOM 155 CG PRO A 11 -7.428 -4.044 1.890 1.00 0.00 C ATOM 156 CD PRO A 11 -7.655 -5.440 1.400 1.00 0.00 C ATOM 0 HA PRO A 11 -4.862 -4.369 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.704 -4.243 3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.626 -2.913 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.980 -3.856 2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.768 -3.310 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.745 -6.152 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.565 -5.522 0.806 1.00 0.00 H new ATOM 164 N VAL A 12 -3.563 -4.941 2.660 1.00 0.00 N ATOM 165 CA VAL A 12 -2.427 -5.445 3.401 1.00 0.00 C ATOM 166 C VAL A 12 -1.263 -5.715 2.466 1.00 0.00 C ATOM 167 O VAL A 12 -0.966 -6.861 2.133 1.00 0.00 O ATOM 168 CB VAL A 12 -2.746 -6.720 4.214 1.00 0.00 C ATOM 169 CG1 VAL A 12 -1.615 -7.038 5.183 1.00 0.00 C ATOM 170 CG2 VAL A 12 -4.067 -6.579 4.959 1.00 0.00 C ATOM 0 H VAL A 12 -3.841 -3.999 2.935 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.160 -4.667 4.117 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.842 -7.549 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.860 -7.939 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.692 -7.198 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.482 -6.205 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.266 -7.491 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.009 -5.734 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.872 -6.412 4.244 1.00 0.00 H new ATOM 180 N CYS A 13 -0.618 -4.641 2.045 1.00 0.00 N ATOM 181 CA CYS A 13 0.520 -4.728 1.148 1.00 0.00 C ATOM 182 C CYS A 13 1.592 -5.610 1.796 1.00 0.00 C ATOM 183 O CYS A 13 2.179 -5.226 2.802 1.00 0.00 O ATOM 184 CB CYS A 13 1.063 -3.319 0.907 1.00 0.00 C ATOM 185 SG CYS A 13 -0.213 -2.016 1.049 1.00 0.00 S ATOM 0 H CYS A 13 -0.867 -3.689 2.314 1.00 0.00 H new ATOM 0 HA CYS A 13 0.227 -5.166 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.860 -3.117 1.623 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.509 -3.274 -0.087 1.00 0.00 H new ATOM 190 N THR A 14 1.798 -6.808 1.259 1.00 0.00 N ATOM 191 CA THR A 14 2.749 -7.759 1.836 1.00 0.00 C ATOM 192 C THR A 14 4.216 -7.456 1.501 1.00 0.00 C ATOM 193 O THR A 14 5.072 -7.486 2.386 1.00 0.00 O ATOM 194 CB THR A 14 2.413 -9.196 1.393 1.00 0.00 C ATOM 195 OG1 THR A 14 2.098 -9.234 -0.008 1.00 0.00 O ATOM 196 CG2 THR A 14 1.241 -9.745 2.194 1.00 0.00 C ATOM 0 H THR A 14 1.320 -7.146 0.424 1.00 0.00 H new ATOM 0 HA THR A 14 2.644 -7.657 2.916 1.00 0.00 H new ATOM 0 HB THR A 14 3.290 -9.816 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.450 -8.430 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.020 -10.761 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.497 -9.754 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.366 -9.114 2.037 1.00 0.00 H new ATOM 204 N TYR A 15 4.508 -7.169 0.246 1.00 0.00 N ATOM 205 CA TYR A 15 5.874 -6.868 -0.174 1.00 0.00 C ATOM 206 C TYR A 15 6.257 -5.475 0.297 1.00 0.00 C ATOM 207 O TYR A 15 7.358 -5.239 0.797 1.00 0.00 O ATOM 208 CB TYR A 15 5.997 -6.969 -1.698 1.00 0.00 C ATOM 209 CG TYR A 15 7.394 -6.721 -2.221 1.00 0.00 C ATOM 210 CD1 TYR A 15 8.486 -7.410 -1.704 1.00 0.00 C ATOM 211 CD2 TYR A 15 7.621 -5.802 -3.238 1.00 0.00 C ATOM 212 CE1 TYR A 15 9.762 -7.187 -2.184 1.00 0.00 C ATOM 213 CE2 TYR A 15 8.895 -5.575 -3.723 1.00 0.00 C ATOM 214 CZ TYR A 15 9.961 -6.269 -3.193 1.00 0.00 C ATOM 215 OH TYR A 15 11.231 -6.045 -3.673 1.00 0.00 O ATOM 0 H TYR A 15 3.819 -7.137 -0.506 1.00 0.00 H new ATOM 0 HA TYR A 15 6.553 -7.594 0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.673 -7.961 -2.013 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.316 -6.251 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.334 -8.131 -0.914 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.788 -5.256 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.600 -7.729 -1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.054 -4.857 -4.514 1.00 0.00 H new ATOM 0 HH TYR A 15 11.198 -5.370 -4.383 1.00 0.00 H new ATOM 225 N SER A 16 5.314 -4.567 0.148 1.00 0.00 N ATOM 226 CA SER A 16 5.475 -3.185 0.553 1.00 0.00 C ATOM 227 C SER A 16 5.590 -3.091 2.070 1.00 0.00 C ATOM 228 O SER A 16 6.124 -2.116 2.605 1.00 0.00 O ATOM 229 CB SER A 16 4.283 -2.383 0.036 1.00 0.00 C ATOM 230 OG SER A 16 4.036 -2.663 -1.334 1.00 0.00 O ATOM 0 H SER A 16 4.403 -4.770 -0.263 1.00 0.00 H new ATOM 0 HA SER A 16 6.391 -2.773 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.397 -2.621 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.474 -1.318 0.164 1.00 0.00 H new ATOM 0 HG SER A 16 3.410 -3.414 -1.407 1.00 0.00 H new ATOM 236 N ALA A 17 5.106 -4.118 2.760 1.00 0.00 N ATOM 237 CA ALA A 17 5.164 -4.153 4.217 1.00 0.00 C ATOM 238 C ALA A 17 6.608 -4.168 4.727 1.00 0.00 C ATOM 239 O ALA A 17 6.847 -3.908 5.903 1.00 0.00 O ATOM 240 CB ALA A 17 4.410 -5.355 4.765 1.00 0.00 C ATOM 0 H ALA A 17 4.670 -4.936 2.335 1.00 0.00 H new ATOM 0 HA ALA A 17 4.686 -3.242 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.469 -5.357 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.365 -5.300 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.854 -6.271 4.376 1.00 0.00 H new ATOM 246 N ALA A 18 7.566 -4.464 3.840 1.00 0.00 N ATOM 247 CA ALA A 18 8.983 -4.489 4.218 1.00 0.00 C ATOM 248 C ALA A 18 9.386 -3.131 4.783 1.00 0.00 C ATOM 249 O ALA A 18 10.024 -3.036 5.829 1.00 0.00 O ATOM 250 CB ALA A 18 9.849 -4.851 3.021 1.00 0.00 C ATOM 0 H ALA A 18 7.387 -4.688 2.861 1.00 0.00 H new ATOM 0 HA ALA A 18 9.134 -5.250 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.897 -4.865 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.565 -5.836 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.707 -4.112 2.232 1.00 0.00 H new ATOM 256 N LEU A 19 8.945 -2.085 4.096 1.00 0.00 N ATOM 257 CA LEU A 19 9.175 -0.712 4.523 1.00 0.00 C ATOM 258 C LEU A 19 8.190 -0.346 5.614 1.00 0.00 C ATOM 259 O LEU A 19 8.399 0.582 6.394 1.00 0.00 O ATOM 260 CB LEU A 19 9.008 0.253 3.341 1.00 0.00 C ATOM 261 CG LEU A 19 10.282 0.629 2.585 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.093 -0.605 2.215 1.00 0.00 C ATOM 263 CD2 LEU A 19 9.936 1.429 1.340 1.00 0.00 C ATOM 0 H LEU A 19 8.418 -2.165 3.227 1.00 0.00 H new ATOM 0 HA LEU A 19 10.193 -0.631 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.309 -0.192 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.547 1.169 3.710 1.00 0.00 H new ATOM 0 HG LEU A 19 10.895 1.244 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.992 -0.302 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.374 -1.141 3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.494 -1.257 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.852 1.691 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.298 0.831 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.410 2.339 1.627 1.00 0.00 H new ATOM 275 N GLY A 20 7.094 -1.074 5.621 1.00 0.00 N ATOM 276 CA GLY A 20 6.030 -0.841 6.558 1.00 0.00 C ATOM 277 C GLY A 20 4.821 -0.371 5.805 1.00 0.00 C ATOM 278 O GLY A 20 3.737 -0.936 5.927 1.00 0.00 O ATOM 0 H GLY A 20 6.921 -1.843 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.802 -1.755 7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.331 -0.095 7.294 1.00 0.00 H new ATOM 282 N CYS A 21 5.054 0.649 4.986 1.00 0.00 N ATOM 283 CA CYS A 21 4.043 1.248 4.135 1.00 0.00 C ATOM 284 C CYS A 21 2.883 1.851 4.956 1.00 0.00 C ATOM 285 O CYS A 21 2.318 1.238 5.852 1.00 0.00 O ATOM 286 CB CYS A 21 3.609 0.249 3.043 1.00 0.00 C ATOM 287 SG CYS A 21 4.701 0.298 1.560 1.00 0.00 S ATOM 0 H CYS A 21 5.970 1.088 4.896 1.00 0.00 H new ATOM 0 HA CYS A 21 4.472 2.103 3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.611 -0.759 3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.585 0.468 2.742 1.00 0.00 H new ATOM 292 N THR A 22 2.586 3.104 4.644 1.00 0.00 N ATOM 293 CA THR A 22 1.569 3.893 5.323 1.00 0.00 C ATOM 294 C THR A 22 0.187 3.715 4.704 1.00 0.00 C ATOM 295 O THR A 22 -0.726 4.494 4.974 1.00 0.00 O ATOM 296 CB THR A 22 1.939 5.356 5.176 1.00 0.00 C ATOM 297 OG1 THR A 22 3.359 5.511 5.307 1.00 0.00 O ATOM 298 CG2 THR A 22 1.237 6.240 6.199 1.00 0.00 C ATOM 0 H THR A 22 3.056 3.612 3.895 1.00 0.00 H new ATOM 0 HA THR A 22 1.530 3.565 6.362 1.00 0.00 H new ATOM 0 HB THR A 22 1.611 5.674 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.785 5.371 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.537 7.277 6.050 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.158 6.153 6.075 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.514 5.923 7.205 1.00 0.00 H new ATOM 306 N CYS A 23 0.063 2.699 3.870 1.00 0.00 N ATOM 307 CA CYS A 23 -1.201 2.378 3.193 1.00 0.00 C ATOM 308 C CYS A 23 -2.380 2.560 4.162 1.00 0.00 C ATOM 309 O CYS A 23 -2.268 2.238 5.345 1.00 0.00 O ATOM 310 CB CYS A 23 -1.206 0.933 2.675 1.00 0.00 C ATOM 311 SG CYS A 23 -2.879 0.198 2.569 1.00 0.00 S ATOM 0 H CYS A 23 0.829 2.068 3.636 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.302 3.057 2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.744 0.908 1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.589 0.319 3.331 1.00 0.00 H new ATOM 316 N ASP A 24 -3.482 3.098 3.668 1.00 0.00 N ATOM 317 CA ASP A 24 -4.649 3.358 4.516 1.00 0.00 C ATOM 318 C ASP A 24 -5.584 2.146 4.619 1.00 0.00 C ATOM 319 O ASP A 24 -5.888 1.704 5.725 1.00 0.00 O ATOM 320 CB ASP A 24 -5.399 4.578 3.975 1.00 0.00 C ATOM 321 CG ASP A 24 -6.675 4.888 4.734 1.00 0.00 C ATOM 322 OD1 ASP A 24 -6.627 5.031 5.978 1.00 0.00 O ATOM 323 OD2 ASP A 24 -7.728 5.021 4.080 1.00 0.00 O ATOM 0 H ASP A 24 -3.600 3.365 2.691 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.294 3.557 5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.741 5.446 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.641 4.410 2.926 1.00 0.00 H new ATOM 328 N ASP A 25 -6.018 1.613 3.470 1.00 0.00 N ATOM 329 CA ASP A 25 -6.916 0.440 3.423 1.00 0.00 C ATOM 330 C ASP A 25 -8.288 0.747 3.969 1.00 0.00 C ATOM 331 O ASP A 25 -8.478 1.092 5.134 1.00 0.00 O ATOM 332 CB ASP A 25 -6.279 -0.781 4.131 1.00 0.00 C ATOM 333 CG ASP A 25 -7.235 -1.929 4.448 1.00 0.00 C ATOM 334 OD1 ASP A 25 -8.360 -1.963 3.912 1.00 0.00 O ATOM 335 OD2 ASP A 25 -6.820 -2.842 5.197 1.00 0.00 O ATOM 0 H ASP A 25 -5.762 1.975 2.551 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.051 0.182 2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.474 -1.164 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.824 -0.443 5.062 1.00 0.00 H new ATOM 340 N ARG A 26 -9.247 0.584 3.075 1.00 0.00 N ATOM 341 CA ARG A 26 -10.642 0.795 3.354 1.00 0.00 C ATOM 342 C ARG A 26 -11.420 -0.121 2.431 1.00 0.00 C ATOM 343 O ARG A 26 -11.060 -1.278 2.248 1.00 0.00 O ATOM 344 CB ARG A 26 -11.026 2.246 3.060 1.00 0.00 C ATOM 345 CG ARG A 26 -10.267 3.303 3.844 1.00 0.00 C ATOM 346 CD ARG A 26 -10.465 3.170 5.346 1.00 0.00 C ATOM 347 NE ARG A 26 -9.555 4.053 6.067 1.00 0.00 N ATOM 348 CZ ARG A 26 -9.847 5.295 6.439 1.00 0.00 C ATOM 349 NH1 ARG A 26 -11.097 5.744 6.365 1.00 0.00 N ATOM 350 NH2 ARG A 26 -8.884 6.084 6.894 1.00 0.00 N ATOM 0 H ARG A 26 -9.065 0.294 2.114 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.858 0.587 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.877 2.433 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.091 2.368 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.204 3.228 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.594 4.292 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.496 3.412 5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.294 2.137 5.650 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.630 3.692 6.302 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.839 5.134 6.021 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.314 6.698 6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.927 5.737 6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.100 7.039 7.181 1.00 0.00 H new ATOM 364 N SER A 27 -12.428 0.424 1.772 1.00 0.00 N ATOM 365 CA SER A 27 -13.165 -0.340 0.790 1.00 0.00 C ATOM 366 C SER A 27 -12.250 -0.482 -0.418 1.00 0.00 C ATOM 367 O SER A 27 -12.390 -1.390 -1.237 1.00 0.00 O ATOM 368 CB SER A 27 -14.465 0.374 0.418 1.00 0.00 C ATOM 369 OG SER A 27 -15.188 -0.344 -0.565 1.00 0.00 O ATOM 0 H SER A 27 -12.750 1.383 1.900 1.00 0.00 H new ATOM 0 HA SER A 27 -13.448 -1.318 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.082 0.496 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.239 1.374 0.047 1.00 0.00 H new ATOM 0 HG SER A 27 -16.014 0.137 -0.780 1.00 0.00 H new ATOM 375 N ASP A 28 -11.295 0.449 -0.469 1.00 0.00 N ATOM 376 CA ASP A 28 -10.281 0.523 -1.503 1.00 0.00 C ATOM 377 C ASP A 28 -9.362 1.698 -1.172 1.00 0.00 C ATOM 378 O ASP A 28 -9.761 2.604 -0.433 1.00 0.00 O ATOM 379 CB ASP A 28 -10.924 0.692 -2.891 1.00 0.00 C ATOM 380 CG ASP A 28 -9.954 0.488 -4.045 1.00 0.00 C ATOM 381 OD1 ASP A 28 -8.750 0.277 -3.792 1.00 0.00 O ATOM 382 OD2 ASP A 28 -10.402 0.524 -5.209 1.00 0.00 O ATOM 0 H ASP A 28 -11.210 1.188 0.229 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.705 -0.402 -1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.746 -0.017 -2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.355 1.691 -2.963 1.00 0.00 H new ATOM 387 N GLY A 29 -8.146 1.679 -1.694 1.00 0.00 N ATOM 388 CA GLY A 29 -7.204 2.744 -1.429 1.00 0.00 C ATOM 389 C GLY A 29 -5.937 2.605 -2.237 1.00 0.00 C ATOM 390 O GLY A 29 -5.985 2.414 -3.450 1.00 0.00 O ATOM 0 H GLY A 29 -7.793 0.939 -2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.671 3.703 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.956 2.750 -0.368 1.00 0.00 H new ATOM 394 N LEU A 30 -4.798 2.717 -1.565 1.00 0.00 N ATOM 395 CA LEU A 30 -3.513 2.626 -2.234 1.00 0.00 C ATOM 396 C LEU A 30 -2.374 2.561 -1.214 1.00 0.00 C ATOM 397 O LEU A 30 -2.367 3.307 -0.233 1.00 0.00 O ATOM 398 CB LEU A 30 -3.346 3.847 -3.137 1.00 0.00 C ATOM 399 CG LEU A 30 -2.104 3.851 -4.027 1.00 0.00 C ATOM 400 CD1 LEU A 30 -2.192 2.735 -5.054 1.00 0.00 C ATOM 401 CD2 LEU A 30 -1.946 5.198 -4.715 1.00 0.00 C ATOM 0 H LEU A 30 -4.741 2.871 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.478 1.714 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.227 3.927 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.324 4.739 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.227 3.681 -3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.301 2.748 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.262 1.775 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.076 2.881 -5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.056 5.183 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.823 5.397 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.845 5.981 -3.963 1.00 0.00 H new ATOM 413 N CYS A 31 -1.418 1.668 -1.447 1.00 0.00 N ATOM 414 CA CYS A 31 -0.278 1.506 -0.549 1.00 0.00 C ATOM 415 C CYS A 31 0.671 2.696 -0.661 1.00 0.00 C ATOM 416 O CYS A 31 1.013 3.122 -1.763 1.00 0.00 O ATOM 417 CB CYS A 31 0.494 0.224 -0.876 1.00 0.00 C ATOM 418 SG CYS A 31 -0.488 -1.311 -0.835 1.00 0.00 S ATOM 0 H CYS A 31 -1.409 1.043 -2.253 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.667 1.445 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.934 0.328 -1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.319 0.127 -0.170 1.00 0.00 H new ATOM 423 N LYS A 32 1.118 3.211 0.476 1.00 0.00 N ATOM 424 CA LYS A 32 2.052 4.330 0.498 1.00 0.00 C ATOM 425 C LYS A 32 3.316 3.925 1.253 1.00 0.00 C ATOM 426 O LYS A 32 3.236 3.212 2.228 1.00 0.00 O ATOM 427 CB LYS A 32 1.385 5.560 1.106 1.00 0.00 C ATOM 428 CG LYS A 32 0.438 6.257 0.138 1.00 0.00 C ATOM 429 CD LYS A 32 1.030 6.319 -1.265 1.00 0.00 C ATOM 430 CE LYS A 32 0.062 6.901 -2.273 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.319 8.303 -1.942 1.00 0.00 N ATOM 0 H LYS A 32 0.848 2.871 1.399 1.00 0.00 H new ATOM 0 HA LYS A 32 2.342 4.593 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.833 5.265 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.154 6.264 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.514 5.726 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.230 7.267 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.938 6.922 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.319 5.316 -1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.513 6.873 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.834 6.282 -2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.886 8.701 -2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.877 8.313 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.540 8.875 -1.813 1.00 0.00 H new ATOM 445 N ARG A 33 4.473 4.300 0.731 1.00 0.00 N ATOM 446 CA ARG A 33 5.771 3.886 1.290 1.00 0.00 C ATOM 447 C ARG A 33 6.180 4.644 2.550 1.00 0.00 C ATOM 448 O ARG A 33 5.352 5.197 3.267 1.00 0.00 O ATOM 449 CB ARG A 33 6.866 4.096 0.236 1.00 0.00 C ATOM 450 CG ARG A 33 6.725 3.230 -1.001 1.00 0.00 C ATOM 451 CD ARG A 33 7.762 3.595 -2.052 1.00 0.00 C ATOM 452 NE ARG A 33 7.531 2.897 -3.317 1.00 0.00 N ATOM 453 CZ ARG A 33 8.278 3.054 -4.408 1.00 0.00 C ATOM 454 NH1 ARG A 33 9.317 3.886 -4.397 1.00 0.00 N ATOM 455 NH2 ARG A 33 7.978 2.378 -5.511 1.00 0.00 N ATOM 0 H ARG A 33 4.550 4.899 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 33 5.656 2.838 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.864 5.143 -0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.835 3.898 0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.835 2.181 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.725 3.347 -1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.741 4.671 -2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.757 3.351 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 33 6.746 2.247 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.544 4.407 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.886 4.003 -5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.180 1.743 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.546 2.494 -6.350 1.00 0.00 H new ATOM 469 N ASN A 34 7.492 4.641 2.792 1.00 0.00 N ATOM 470 CA ASN A 34 8.113 5.297 3.937 1.00 0.00 C ATOM 471 C ASN A 34 9.467 5.826 3.477 1.00 0.00 C ATOM 472 O ASN A 34 10.053 5.266 2.552 1.00 0.00 O ATOM 473 CB ASN A 34 8.348 4.336 5.100 1.00 0.00 C ATOM 474 CG ASN A 34 7.275 3.270 5.281 1.00 0.00 C ATOM 475 OD1 ASN A 34 7.034 2.455 4.392 1.00 0.00 O ATOM 476 ND2 ASN A 34 6.636 3.253 6.442 1.00 0.00 N ATOM 0 H ASN A 34 8.163 4.172 2.184 1.00 0.00 H new ATOM 0 HA ASN A 34 7.449 6.087 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.309 3.842 4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.423 4.915 6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.920 2.549 6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.861 3.944 7.158 1.00 0.00 H new ATOM 483 N GLY A 35 9.933 6.923 4.069 1.00 0.00 N ATOM 484 CA GLY A 35 11.192 7.539 3.647 1.00 0.00 C ATOM 485 C GLY A 35 10.920 8.396 2.438 1.00 0.00 C ATOM 486 O GLY A 35 11.194 9.594 2.411 1.00 0.00 O ATOM 0 H GLY A 35 9.463 7.402 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.608 8.142 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.929 6.772 3.410 1.00 0.00 H new ATOM 490 N ASP A 36 10.258 7.754 1.498 1.00 0.00 N ATOM 491 CA ASP A 36 9.769 8.356 0.271 1.00 0.00 C ATOM 492 C ASP A 36 8.327 7.871 0.102 1.00 0.00 C ATOM 493 O ASP A 36 7.993 7.223 -0.892 1.00 0.00 O ATOM 494 CB ASP A 36 10.600 7.925 -0.950 1.00 0.00 C ATOM 495 CG ASP A 36 12.044 8.392 -0.907 1.00 0.00 C ATOM 496 OD1 ASP A 36 12.801 7.915 -0.036 1.00 0.00 O ATOM 497 OD2 ASP A 36 12.421 9.223 -1.761 1.00 0.00 O ATOM 0 H ASP A 36 10.036 6.761 1.569 1.00 0.00 H new ATOM 0 HA ASP A 36 9.839 9.442 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.582 6.838 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.129 8.314 -1.853 1.00 0.00 H new ATOM 502 N PRO A 37 7.465 8.101 1.126 1.00 0.00 N ATOM 503 CA PRO A 37 6.068 7.623 1.142 1.00 0.00 C ATOM 504 C PRO A 37 5.247 8.038 -0.069 1.00 0.00 C ATOM 505 O PRO A 37 4.726 9.150 -0.163 1.00 0.00 O ATOM 506 CB PRO A 37 5.542 8.203 2.468 1.00 0.00 C ATOM 507 CG PRO A 37 6.769 8.133 3.294 1.00 0.00 C ATOM 508 CD PRO A 37 7.774 8.777 2.403 1.00 0.00 C ATOM 0 HA PRO A 37 5.996 6.537 1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.173 9.223 2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.726 7.612 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.658 8.667 4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.039 7.106 3.539 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.644 9.858 2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.797 8.596 2.732 1.00 0.00 H new TER 516 PRO A 37