USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=8 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= 0.706 (180deg=-0.542) USER MOD Single : A 1 THR OG1 : rot 110:sc= 0.0139 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.477 USER MOD Single : A 14 THR OG1 : rot -10:sc= 0.481 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 170:sc= -0.013 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -58:sc= 0.325 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.84 K(o=-0.84,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.977 7.916 -0.726 1.00 0.00 N ATOM 2 CA THR A 1 4.144 8.549 -1.725 1.00 0.00 C ATOM 3 C THR A 1 3.846 7.532 -2.808 1.00 0.00 C ATOM 4 O THR A 1 4.215 7.712 -3.968 1.00 0.00 O ATOM 5 CB THR A 1 4.840 9.777 -2.353 1.00 0.00 C ATOM 6 OG1 THR A 1 5.641 10.449 -1.375 1.00 0.00 O ATOM 7 CG2 THR A 1 3.814 10.751 -2.918 1.00 0.00 C ATOM 0 H3 THR A 1 5.872 8.438 -0.639 1.00 0.00 H new ATOM 0 HA THR A 1 3.227 8.896 -1.249 1.00 0.00 H new ATOM 0 HB THR A 1 5.477 9.423 -3.164 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.590 10.320 -1.585 1.00 0.00 H new ATOM 0 HG21 THR A 1 4.327 11.608 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 1 3.223 10.252 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.156 11.091 -2.118 1.00 0.00 H new ATOM 15 N PHE A 2 3.209 6.443 -2.380 1.00 0.00 N ATOM 16 CA PHE A 2 2.849 5.320 -3.239 1.00 0.00 C ATOM 17 C PHE A 2 4.021 4.334 -3.367 1.00 0.00 C ATOM 18 O PHE A 2 4.951 4.527 -4.149 1.00 0.00 O ATOM 19 CB PHE A 2 2.335 5.804 -4.610 1.00 0.00 C ATOM 20 CG PHE A 2 2.459 4.810 -5.741 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.921 3.537 -5.640 1.00 0.00 C ATOM 22 CD2 PHE A 2 3.112 5.162 -6.913 1.00 0.00 C ATOM 23 CE1 PHE A 2 2.033 2.637 -6.682 1.00 0.00 C ATOM 24 CE2 PHE A 2 3.228 4.265 -7.957 1.00 0.00 C ATOM 25 CZ PHE A 2 2.686 3.001 -7.842 1.00 0.00 C ATOM 0 H PHE A 2 2.924 6.316 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 2 2.025 4.781 -2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.286 6.082 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.879 6.708 -4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.408 3.245 -4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.535 6.151 -7.011 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.609 1.648 -6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.742 4.552 -8.862 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.773 2.299 -8.658 1.00 0.00 H new ATOM 35 N CYS A 3 3.946 3.278 -2.562 1.00 0.00 N ATOM 36 CA CYS A 3 4.953 2.211 -2.532 1.00 0.00 C ATOM 37 C CYS A 3 4.941 1.451 -3.846 1.00 0.00 C ATOM 38 O CYS A 3 5.903 1.480 -4.611 1.00 0.00 O ATOM 39 CB CYS A 3 4.638 1.224 -1.400 1.00 0.00 C ATOM 40 SG CYS A 3 6.085 0.360 -0.689 1.00 0.00 S ATOM 0 H CYS A 3 3.179 3.134 -1.905 1.00 0.00 H new ATOM 0 HA CYS A 3 5.931 2.664 -2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.129 1.764 -0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.939 0.477 -1.776 1.00 0.00 H new ATOM 45 N GLY A 4 3.826 0.777 -4.088 1.00 0.00 N ATOM 46 CA GLY A 4 3.660 0.009 -5.302 1.00 0.00 C ATOM 47 C GLY A 4 2.380 -0.801 -5.288 1.00 0.00 C ATOM 48 O GLY A 4 1.614 -0.788 -6.247 1.00 0.00 O ATOM 0 H GLY A 4 3.026 0.750 -3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.654 0.682 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.511 -0.660 -5.428 1.00 0.00 H new ATOM 52 N GLU A 5 2.154 -1.503 -4.184 1.00 0.00 N ATOM 53 CA GLU A 5 0.962 -2.331 -4.020 1.00 0.00 C ATOM 54 C GLU A 5 -0.306 -1.506 -3.830 1.00 0.00 C ATOM 55 O GLU A 5 -0.272 -0.272 -3.760 1.00 0.00 O ATOM 56 CB GLU A 5 1.129 -3.269 -2.824 1.00 0.00 C ATOM 57 CG GLU A 5 1.708 -4.623 -3.179 1.00 0.00 C ATOM 58 CD GLU A 5 0.724 -5.457 -3.976 1.00 0.00 C ATOM 59 OE1 GLU A 5 -0.481 -5.430 -3.643 1.00 0.00 O ATOM 60 OE2 GLU A 5 1.149 -6.147 -4.915 1.00 0.00 O ATOM 0 H GLU A 5 2.785 -1.516 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 5 0.853 -2.904 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.775 -2.791 -2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.158 -3.413 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.623 -4.489 -3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.981 -5.154 -2.267 1.00 0.00 H new ATOM 67 N THR A 6 -1.417 -2.216 -3.716 1.00 0.00 N ATOM 68 CA THR A 6 -2.721 -1.612 -3.507 1.00 0.00 C ATOM 69 C THR A 6 -3.517 -2.457 -2.515 1.00 0.00 C ATOM 70 O THR A 6 -3.640 -3.668 -2.687 1.00 0.00 O ATOM 71 CB THR A 6 -3.508 -1.509 -4.833 1.00 0.00 C ATOM 72 OG1 THR A 6 -3.407 -2.747 -5.555 1.00 0.00 O ATOM 73 CG2 THR A 6 -2.989 -0.372 -5.701 1.00 0.00 C ATOM 0 H THR A 6 -1.438 -3.235 -3.766 1.00 0.00 H new ATOM 0 HA THR A 6 -2.573 -0.606 -3.114 1.00 0.00 H new ATOM 0 HB THR A 6 -4.550 -1.304 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.909 -2.678 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.565 -0.328 -6.626 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.092 0.571 -5.165 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.938 -0.544 -5.936 1.00 0.00 H new ATOM 81 N CYS A 7 -4.063 -1.834 -1.484 1.00 0.00 N ATOM 82 CA CYS A 7 -4.848 -2.567 -0.503 1.00 0.00 C ATOM 83 C CYS A 7 -6.276 -2.764 -1.019 1.00 0.00 C ATOM 84 O CYS A 7 -7.236 -2.250 -0.453 1.00 0.00 O ATOM 85 CB CYS A 7 -4.827 -1.861 0.859 1.00 0.00 C ATOM 86 SG CYS A 7 -4.773 -0.047 0.785 1.00 0.00 S ATOM 0 H CYS A 7 -3.979 -0.833 -1.305 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.401 -3.551 -0.357 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.713 -2.160 1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.961 -2.212 1.420 1.00 0.00 H new ATOM 91 N ARG A 8 -6.367 -3.490 -2.132 1.00 0.00 N ATOM 92 CA ARG A 8 -7.626 -3.776 -2.825 1.00 0.00 C ATOM 93 C ARG A 8 -8.580 -4.650 -2.012 1.00 0.00 C ATOM 94 O ARG A 8 -9.006 -4.291 -0.920 1.00 0.00 O ATOM 95 CB ARG A 8 -7.311 -4.441 -4.174 1.00 0.00 C ATOM 96 CG ARG A 8 -6.222 -5.504 -4.096 1.00 0.00 C ATOM 97 CD ARG A 8 -5.622 -5.794 -5.467 1.00 0.00 C ATOM 98 NE ARG A 8 -4.559 -6.808 -5.414 1.00 0.00 N ATOM 99 CZ ARG A 8 -3.304 -6.573 -5.001 1.00 0.00 C ATOM 100 NH1 ARG A 8 -2.906 -5.351 -4.702 1.00 0.00 N ATOM 101 NH2 ARG A 8 -2.428 -7.568 -4.921 1.00 0.00 N ATOM 0 H ARG A 8 -5.554 -3.904 -2.587 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.142 -2.827 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.221 -4.895 -4.566 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.006 -3.673 -4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.436 -5.172 -3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.637 -6.421 -3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.409 -6.133 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.219 -4.872 -5.886 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.791 -7.756 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.556 -4.569 -4.783 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.949 -5.189 -4.389 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.708 -8.516 -5.174 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.475 -7.385 -4.607 1.00 0.00 H new ATOM 115 N VAL A 9 -8.919 -5.804 -2.567 1.00 0.00 N ATOM 116 CA VAL A 9 -9.836 -6.733 -1.907 1.00 0.00 C ATOM 117 C VAL A 9 -9.046 -7.657 -0.984 1.00 0.00 C ATOM 118 O VAL A 9 -9.443 -8.781 -0.690 1.00 0.00 O ATOM 119 CB VAL A 9 -10.630 -7.569 -2.941 1.00 0.00 C ATOM 120 CG1 VAL A 9 -11.879 -8.174 -2.312 1.00 0.00 C ATOM 121 CG2 VAL A 9 -10.997 -6.721 -4.151 1.00 0.00 C ATOM 0 H VAL A 9 -8.575 -6.123 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.553 -6.155 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.990 -8.386 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.418 -8.756 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.592 -8.823 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.522 -7.376 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.554 -7.328 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.612 -5.879 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.088 -6.348 -4.623 1.00 0.00 H new ATOM 131 N ILE A 10 -7.925 -7.122 -0.536 1.00 0.00 N ATOM 132 CA ILE A 10 -6.985 -7.772 0.367 1.00 0.00 C ATOM 133 C ILE A 10 -5.967 -6.723 0.784 1.00 0.00 C ATOM 134 O ILE A 10 -4.839 -6.725 0.293 1.00 0.00 O ATOM 135 CB ILE A 10 -6.234 -8.969 -0.281 1.00 0.00 C ATOM 136 CG1 ILE A 10 -5.997 -8.720 -1.779 1.00 0.00 C ATOM 137 CG2 ILE A 10 -6.981 -10.278 -0.051 1.00 0.00 C ATOM 138 CD1 ILE A 10 -5.203 -9.814 -2.465 1.00 0.00 C ATOM 0 H ILE A 10 -7.630 -6.182 -0.801 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.546 -8.177 1.210 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.261 -9.056 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.961 -8.617 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.472 -7.772 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.432 -11.097 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.071 -10.462 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.975 -10.212 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.078 -9.566 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.224 -9.903 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.736 -10.761 -2.376 1.00 0.00 H new ATOM 150 N PRO A 11 -6.379 -5.748 1.623 1.00 0.00 N ATOM 151 CA PRO A 11 -5.514 -4.635 2.036 1.00 0.00 C ATOM 152 C PRO A 11 -4.235 -5.025 2.762 1.00 0.00 C ATOM 153 O PRO A 11 -3.649 -6.076 2.519 1.00 0.00 O ATOM 154 CB PRO A 11 -6.407 -3.817 2.964 1.00 0.00 C ATOM 155 CG PRO A 11 -7.772 -4.113 2.492 1.00 0.00 C ATOM 156 CD PRO A 11 -7.744 -5.584 2.174 1.00 0.00 C ATOM 0 HA PRO A 11 -5.148 -4.111 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.273 -4.107 4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.183 -2.752 2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.515 -3.885 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.026 -3.521 1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.903 -6.197 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.512 -5.861 1.452 1.00 0.00 H new ATOM 164 N VAL A 12 -3.806 -4.114 3.639 1.00 0.00 N ATOM 165 CA VAL A 12 -2.584 -4.253 4.420 1.00 0.00 C ATOM 166 C VAL A 12 -1.441 -4.805 3.580 1.00 0.00 C ATOM 167 O VAL A 12 -0.949 -5.903 3.827 1.00 0.00 O ATOM 168 CB VAL A 12 -2.748 -5.072 5.732 1.00 0.00 C ATOM 169 CG1 VAL A 12 -3.525 -4.265 6.760 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.424 -6.419 5.505 1.00 0.00 C ATOM 0 H VAL A 12 -4.309 -3.247 3.826 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.337 -3.238 4.732 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.745 -5.277 6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.634 -4.849 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.988 -3.342 6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.512 -4.025 6.364 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.512 -6.947 6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.417 -6.261 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.827 -7.014 4.813 1.00 0.00 H new ATOM 180 N CYS A 13 -1.066 -4.000 2.581 1.00 0.00 N ATOM 181 CA CYS A 13 -0.002 -4.290 1.612 1.00 0.00 C ATOM 182 C CYS A 13 1.091 -5.189 2.191 1.00 0.00 C ATOM 183 O CYS A 13 2.060 -4.702 2.758 1.00 0.00 O ATOM 184 CB CYS A 13 0.615 -2.961 1.182 1.00 0.00 C ATOM 185 SG CYS A 13 -0.555 -1.562 1.261 1.00 0.00 S ATOM 0 H CYS A 13 -1.510 -3.096 2.418 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.441 -4.824 0.769 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.473 -2.744 1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.989 -3.055 0.163 1.00 0.00 H new ATOM 190 N THR A 14 0.902 -6.497 2.075 1.00 0.00 N ATOM 191 CA THR A 14 1.839 -7.467 2.625 1.00 0.00 C ATOM 192 C THR A 14 3.082 -7.644 1.751 1.00 0.00 C ATOM 193 O THR A 14 4.144 -8.025 2.241 1.00 0.00 O ATOM 194 CB THR A 14 1.143 -8.827 2.804 1.00 0.00 C ATOM 195 OG1 THR A 14 -0.178 -8.622 3.320 1.00 0.00 O ATOM 196 CG2 THR A 14 1.923 -9.728 3.752 1.00 0.00 C ATOM 0 H THR A 14 0.101 -6.913 1.600 1.00 0.00 H new ATOM 0 HA THR A 14 2.167 -7.080 3.590 1.00 0.00 H new ATOM 0 HB THR A 14 1.095 -9.316 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.282 -7.686 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.405 -10.681 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.922 -9.900 3.351 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.002 -9.248 4.728 1.00 0.00 H new ATOM 204 N TYR A 15 2.960 -7.366 0.461 1.00 0.00 N ATOM 205 CA TYR A 15 4.090 -7.508 -0.446 1.00 0.00 C ATOM 206 C TYR A 15 5.114 -6.416 -0.177 1.00 0.00 C ATOM 207 O TYR A 15 6.309 -6.672 -0.050 1.00 0.00 O ATOM 208 CB TYR A 15 3.619 -7.443 -1.901 1.00 0.00 C ATOM 209 CG TYR A 15 4.721 -7.676 -2.911 1.00 0.00 C ATOM 210 CD1 TYR A 15 5.563 -8.776 -2.806 1.00 0.00 C ATOM 211 CD2 TYR A 15 4.922 -6.796 -3.966 1.00 0.00 C ATOM 212 CE1 TYR A 15 6.574 -8.992 -3.723 1.00 0.00 C ATOM 213 CE2 TYR A 15 5.930 -7.004 -4.888 1.00 0.00 C ATOM 214 CZ TYR A 15 6.753 -8.103 -4.762 1.00 0.00 C ATOM 215 OH TYR A 15 7.760 -8.313 -5.678 1.00 0.00 O ATOM 0 H TYR A 15 2.098 -7.044 0.022 1.00 0.00 H new ATOM 0 HA TYR A 15 4.555 -8.479 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.836 -8.186 -2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.171 -6.466 -2.085 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.425 -9.474 -1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 15 4.279 -5.934 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.220 -9.852 -3.627 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.072 -6.310 -5.703 1.00 0.00 H new ATOM 0 HH TYR A 15 7.749 -7.596 -6.346 1.00 0.00 H new ATOM 225 N SER A 16 4.621 -5.198 -0.077 1.00 0.00 N ATOM 226 CA SER A 16 5.465 -4.042 0.190 1.00 0.00 C ATOM 227 C SER A 16 5.581 -3.795 1.698 1.00 0.00 C ATOM 228 O SER A 16 6.139 -2.789 2.136 1.00 0.00 O ATOM 229 CB SER A 16 4.887 -2.831 -0.549 1.00 0.00 C ATOM 230 OG SER A 16 3.505 -2.670 -0.269 1.00 0.00 O ATOM 0 H SER A 16 3.630 -4.978 -0.177 1.00 0.00 H new ATOM 0 HA SER A 16 6.476 -4.223 -0.175 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.427 -1.931 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.031 -2.954 -1.622 1.00 0.00 H new ATOM 0 HG SER A 16 3.199 -1.807 -0.618 1.00 0.00 H new ATOM 236 N ALA A 17 5.051 -4.730 2.486 1.00 0.00 N ATOM 237 CA ALA A 17 5.082 -4.623 3.944 1.00 0.00 C ATOM 238 C ALA A 17 6.497 -4.729 4.496 1.00 0.00 C ATOM 239 O ALA A 17 6.773 -4.230 5.582 1.00 0.00 O ATOM 240 CB ALA A 17 4.205 -5.685 4.587 1.00 0.00 C ATOM 0 H ALA A 17 4.594 -5.573 2.138 1.00 0.00 H new ATOM 0 HA ALA A 17 4.693 -3.635 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.246 -5.583 5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.176 -5.560 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.563 -6.674 4.302 1.00 0.00 H new ATOM 246 N ALA A 18 7.386 -5.386 3.751 1.00 0.00 N ATOM 247 CA ALA A 18 8.778 -5.554 4.179 1.00 0.00 C ATOM 248 C ALA A 18 9.413 -4.199 4.476 1.00 0.00 C ATOM 249 O ALA A 18 10.196 -4.050 5.410 1.00 0.00 O ATOM 250 CB ALA A 18 9.573 -6.294 3.114 1.00 0.00 C ATOM 0 H ALA A 18 7.169 -5.811 2.849 1.00 0.00 H new ATOM 0 HA ALA A 18 8.790 -6.146 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.605 -6.411 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.131 -7.277 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.553 -5.725 2.184 1.00 0.00 H new ATOM 256 N LEU A 19 9.037 -3.215 3.675 1.00 0.00 N ATOM 257 CA LEU A 19 9.518 -1.850 3.826 1.00 0.00 C ATOM 258 C LEU A 19 8.816 -1.127 4.964 1.00 0.00 C ATOM 259 O LEU A 19 9.304 -0.115 5.459 1.00 0.00 O ATOM 260 CB LEU A 19 9.299 -1.075 2.524 1.00 0.00 C ATOM 261 CG LEU A 19 10.478 -1.067 1.556 1.00 0.00 C ATOM 262 CD1 LEU A 19 10.865 -2.478 1.139 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.154 -0.218 0.336 1.00 0.00 C ATOM 0 H LEU A 19 8.387 -3.340 2.899 1.00 0.00 H new ATOM 0 HA LEU A 19 10.581 -1.900 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.434 -1.497 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.050 -0.044 2.773 1.00 0.00 H new ATOM 0 HG LEU A 19 11.333 -0.629 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.708 -2.435 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.146 -3.054 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.018 -2.957 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.004 -0.221 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.281 -0.628 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.945 0.805 0.650 1.00 0.00 H new ATOM 275 N GLY A 20 7.658 -1.631 5.342 1.00 0.00 N ATOM 276 CA GLY A 20 6.868 -1.005 6.380 1.00 0.00 C ATOM 277 C GLY A 20 5.845 -0.093 5.747 1.00 0.00 C ATOM 278 O GLY A 20 5.237 0.756 6.400 1.00 0.00 O ATOM 0 H GLY A 20 7.244 -2.474 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.371 -1.765 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.513 -0.437 7.051 1.00 0.00 H new ATOM 282 N CYS A 21 5.684 -0.301 4.448 1.00 0.00 N ATOM 283 CA CYS A 21 4.761 0.450 3.618 1.00 0.00 C ATOM 284 C CYS A 21 3.315 0.239 4.053 1.00 0.00 C ATOM 285 O CYS A 21 2.878 -0.893 4.273 1.00 0.00 O ATOM 286 CB CYS A 21 4.957 0.009 2.168 1.00 0.00 C ATOM 287 SG CYS A 21 6.198 0.987 1.246 1.00 0.00 S ATOM 0 H CYS A 21 6.204 -1.012 3.934 1.00 0.00 H new ATOM 0 HA CYS A 21 4.968 1.515 3.721 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.256 -1.039 2.156 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.001 0.074 1.648 1.00 0.00 H new ATOM 292 N THR A 22 2.576 1.335 4.168 1.00 0.00 N ATOM 293 CA THR A 22 1.184 1.280 4.571 1.00 0.00 C ATOM 294 C THR A 22 0.348 2.246 3.742 1.00 0.00 C ATOM 295 O THR A 22 0.765 3.364 3.453 1.00 0.00 O ATOM 296 CB THR A 22 1.013 1.601 6.066 1.00 0.00 C ATOM 297 OG1 THR A 22 1.952 2.609 6.461 1.00 0.00 O ATOM 298 CG2 THR A 22 1.204 0.355 6.919 1.00 0.00 C ATOM 0 H THR A 22 2.924 2.276 3.986 1.00 0.00 H new ATOM 0 HA THR A 22 0.837 0.261 4.398 1.00 0.00 H new ATOM 0 HB THR A 22 -0.001 1.969 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.836 2.809 7.413 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.078 0.611 7.971 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.466 -0.396 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.206 -0.044 6.761 1.00 0.00 H new ATOM 306 N CYS A 23 -0.818 1.790 3.331 1.00 0.00 N ATOM 307 CA CYS A 23 -1.709 2.594 2.516 1.00 0.00 C ATOM 308 C CYS A 23 -2.711 3.386 3.354 1.00 0.00 C ATOM 309 O CYS A 23 -2.341 4.157 4.234 1.00 0.00 O ATOM 310 CB CYS A 23 -2.435 1.701 1.513 1.00 0.00 C ATOM 311 SG CYS A 23 -3.470 0.411 2.266 1.00 0.00 S ATOM 0 H CYS A 23 -1.174 0.859 3.550 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.100 3.324 1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -3.061 2.326 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -1.697 1.226 0.867 1.00 0.00 H new ATOM 316 N ASP A 24 -3.978 3.184 3.032 1.00 0.00 N ATOM 317 CA ASP A 24 -5.092 3.857 3.690 1.00 0.00 C ATOM 318 C ASP A 24 -6.227 2.853 3.972 1.00 0.00 C ATOM 319 O ASP A 24 -6.686 2.726 5.104 1.00 0.00 O ATOM 320 CB ASP A 24 -5.576 4.982 2.760 1.00 0.00 C ATOM 321 CG ASP A 24 -6.635 5.882 3.364 1.00 0.00 C ATOM 322 OD1 ASP A 24 -6.982 5.709 4.541 1.00 0.00 O ATOM 323 OD2 ASP A 24 -7.131 6.774 2.640 1.00 0.00 O ATOM 0 H ASP A 24 -4.268 2.540 2.297 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.777 4.275 4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.720 5.592 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.972 4.537 1.847 1.00 0.00 H new ATOM 328 N ASP A 25 -6.645 2.144 2.917 1.00 0.00 N ATOM 329 CA ASP A 25 -7.721 1.126 2.967 1.00 0.00 C ATOM 330 C ASP A 25 -9.057 1.696 3.383 1.00 0.00 C ATOM 331 O ASP A 25 -9.334 1.988 4.543 1.00 0.00 O ATOM 332 CB ASP A 25 -7.382 -0.105 3.831 1.00 0.00 C ATOM 333 CG ASP A 25 -8.531 -1.103 3.902 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.433 -1.054 3.030 1.00 0.00 O ATOM 335 OD2 ASP A 25 -8.499 -1.974 4.795 1.00 0.00 O ATOM 0 H ASP A 25 -6.244 2.257 1.986 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.800 0.784 1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.500 -0.599 3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.126 0.222 4.839 1.00 0.00 H new ATOM 340 N ARG A 26 -9.875 1.783 2.367 1.00 0.00 N ATOM 341 CA ARG A 26 -11.237 2.252 2.416 1.00 0.00 C ATOM 342 C ARG A 26 -11.866 1.906 1.085 1.00 0.00 C ATOM 343 O ARG A 26 -12.232 2.788 0.309 1.00 0.00 O ATOM 344 CB ARG A 26 -11.322 3.755 2.678 1.00 0.00 C ATOM 345 CG ARG A 26 -11.532 4.146 4.141 1.00 0.00 C ATOM 346 CD ARG A 26 -10.276 4.678 4.824 1.00 0.00 C ATOM 347 NE ARG A 26 -9.628 5.776 4.101 1.00 0.00 N ATOM 348 CZ ARG A 26 -10.196 6.936 3.764 1.00 0.00 C ATOM 349 NH1 ARG A 26 -11.462 7.198 4.082 1.00 0.00 N ATOM 350 NH2 ARG A 26 -9.475 7.844 3.121 1.00 0.00 N ATOM 0 H ARG A 26 -9.592 1.512 1.425 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.764 1.774 3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.405 4.223 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.141 4.166 2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.313 4.905 4.196 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.893 3.277 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.536 5.019 5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.563 3.861 4.940 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.654 5.641 3.831 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.013 6.507 4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.880 8.090 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.500 7.651 2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.895 8.735 2.857 1.00 0.00 H new ATOM 364 N SER A 27 -11.901 0.600 0.814 1.00 0.00 N ATOM 365 CA SER A 27 -12.389 0.061 -0.450 1.00 0.00 C ATOM 366 C SER A 27 -11.294 0.287 -1.484 1.00 0.00 C ATOM 367 O SER A 27 -11.549 0.705 -2.616 1.00 0.00 O ATOM 368 CB SER A 27 -13.719 0.703 -0.882 1.00 0.00 C ATOM 369 OG SER A 27 -14.224 0.098 -2.061 1.00 0.00 O ATOM 0 H SER A 27 -11.589 -0.115 1.471 1.00 0.00 H new ATOM 0 HA SER A 27 -12.604 -1.002 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.450 0.606 -0.079 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.572 1.770 -1.052 1.00 0.00 H new ATOM 0 HG SER A 27 -13.559 0.173 -2.777 1.00 0.00 H new ATOM 375 N ASP A 28 -10.065 0.015 -1.029 1.00 0.00 N ATOM 376 CA ASP A 28 -8.842 0.176 -1.815 1.00 0.00 C ATOM 377 C ASP A 28 -8.494 1.655 -1.964 1.00 0.00 C ATOM 378 O ASP A 28 -9.268 2.536 -1.586 1.00 0.00 O ATOM 379 CB ASP A 28 -8.940 -0.502 -3.194 1.00 0.00 C ATOM 380 CG ASP A 28 -7.580 -0.742 -3.846 1.00 0.00 C ATOM 381 OD1 ASP A 28 -6.537 -0.448 -3.209 1.00 0.00 O ATOM 382 OD2 ASP A 28 -7.550 -1.252 -4.982 1.00 0.00 O ATOM 0 H ASP A 28 -9.893 -0.330 -0.085 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.040 -0.323 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.457 -1.455 -3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.547 0.118 -3.854 1.00 0.00 H new ATOM 387 N GLY A 29 -7.321 1.913 -2.501 1.00 0.00 N ATOM 388 CA GLY A 29 -6.858 3.260 -2.698 1.00 0.00 C ATOM 389 C GLY A 29 -5.489 3.276 -3.327 1.00 0.00 C ATOM 390 O GLY A 29 -5.364 3.465 -4.536 1.00 0.00 O ATOM 0 H GLY A 29 -6.667 1.194 -2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.560 3.800 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.828 3.781 -1.741 1.00 0.00 H new ATOM 394 N LEU A 30 -4.462 3.055 -2.500 1.00 0.00 N ATOM 395 CA LEU A 30 -3.075 3.024 -2.966 1.00 0.00 C ATOM 396 C LEU A 30 -2.115 2.942 -1.779 1.00 0.00 C ATOM 397 O LEU A 30 -2.207 3.745 -0.847 1.00 0.00 O ATOM 398 CB LEU A 30 -2.766 4.275 -3.800 1.00 0.00 C ATOM 399 CG LEU A 30 -1.451 4.241 -4.572 1.00 0.00 C ATOM 400 CD1 LEU A 30 -1.431 3.061 -5.531 1.00 0.00 C ATOM 401 CD2 LEU A 30 -1.257 5.544 -5.329 1.00 0.00 C ATOM 0 H LEU A 30 -4.568 2.894 -1.498 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.941 2.140 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.580 4.428 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.755 5.139 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.631 4.123 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.486 3.050 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.537 2.133 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.256 3.153 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.315 5.510 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.080 5.683 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.236 6.375 -4.624 1.00 0.00 H new ATOM 413 N CYS A 31 -1.198 1.976 -1.810 1.00 0.00 N ATOM 414 CA CYS A 31 -0.225 1.799 -0.730 1.00 0.00 C ATOM 415 C CYS A 31 0.837 2.888 -0.771 1.00 0.00 C ATOM 416 O CYS A 31 1.297 3.268 -1.842 1.00 0.00 O ATOM 417 CB CYS A 31 0.432 0.421 -0.813 1.00 0.00 C ATOM 418 SG CYS A 31 -0.747 -0.958 -0.663 1.00 0.00 S ATOM 0 H CYS A 31 -1.107 1.303 -2.571 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.760 1.874 0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.959 0.336 -1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.180 0.336 -0.025 1.00 0.00 H new ATOM 423 N LYS A 32 1.228 3.393 0.392 1.00 0.00 N ATOM 424 CA LYS A 32 2.238 4.435 0.459 1.00 0.00 C ATOM 425 C LYS A 32 3.606 3.831 0.728 1.00 0.00 C ATOM 426 O LYS A 32 3.701 2.751 1.299 1.00 0.00 O ATOM 427 CB LYS A 32 1.860 5.479 1.506 1.00 0.00 C ATOM 428 CG LYS A 32 0.596 6.240 1.139 1.00 0.00 C ATOM 429 CD LYS A 32 0.680 6.751 -0.289 1.00 0.00 C ATOM 430 CE LYS A 32 -0.600 6.496 -1.057 1.00 0.00 C ATOM 431 NZ LYS A 32 -1.731 7.338 -0.569 1.00 0.00 N ATOM 0 H LYS A 32 0.861 3.098 1.297 1.00 0.00 H new ATOM 0 HA LYS A 32 2.288 4.943 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.718 4.988 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.683 6.184 1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.272 5.590 1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.456 7.077 1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.891 7.820 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.512 6.266 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.432 6.695 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.870 5.443 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.585 7.128 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.911 7.130 0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.487 8.343 -0.676 1.00 0.00 H new ATOM 445 N ARG A 33 4.650 4.509 0.260 1.00 0.00 N ATOM 446 CA ARG A 33 6.023 4.019 0.402 1.00 0.00 C ATOM 447 C ARG A 33 6.586 4.293 1.802 1.00 0.00 C ATOM 448 O ARG A 33 5.835 4.426 2.761 1.00 0.00 O ATOM 449 CB ARG A 33 6.904 4.683 -0.662 1.00 0.00 C ATOM 450 CG ARG A 33 7.906 3.743 -1.316 1.00 0.00 C ATOM 451 CD ARG A 33 8.689 4.445 -2.420 1.00 0.00 C ATOM 452 NE ARG A 33 7.808 5.087 -3.398 1.00 0.00 N ATOM 453 CZ ARG A 33 7.825 6.396 -3.667 1.00 0.00 C ATOM 454 NH1 ARG A 33 8.730 7.179 -3.095 1.00 0.00 N ATOM 455 NH2 ARG A 33 6.948 6.914 -4.517 1.00 0.00 N ATOM 0 H ARG A 33 4.573 5.404 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 33 6.018 2.938 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.263 5.108 -1.435 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.445 5.512 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.597 3.364 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.382 2.882 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.346 5.194 -1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.327 3.721 -2.928 1.00 0.00 H new ATOM 0 HE ARG A 33 7.143 4.501 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.413 6.782 -2.450 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.743 8.178 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.258 6.313 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.964 7.913 -4.720 1.00 0.00 H new ATOM 469 N ASN A 34 7.912 4.398 1.880 1.00 0.00 N ATOM 470 CA ASN A 34 8.642 4.676 3.123 1.00 0.00 C ATOM 471 C ASN A 34 9.876 5.485 2.771 1.00 0.00 C ATOM 472 O ASN A 34 10.401 5.347 1.665 1.00 0.00 O ATOM 473 CB ASN A 34 9.064 3.392 3.811 1.00 0.00 C ATOM 474 CG ASN A 34 8.066 2.851 4.810 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.880 2.739 4.533 1.00 0.00 O ATOM 476 ND2 ASN A 34 8.556 2.483 5.979 1.00 0.00 N ATOM 0 H ASN A 34 8.522 4.291 1.070 1.00 0.00 H new ATOM 0 HA ASN A 34 7.993 5.225 3.805 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.245 2.632 3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.011 3.564 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.939 2.089 6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.552 2.593 6.172 1.00 0.00 H new ATOM 483 N GLY A 35 10.302 6.374 3.665 1.00 0.00 N ATOM 484 CA GLY A 35 11.438 7.244 3.372 1.00 0.00 C ATOM 485 C GLY A 35 10.956 8.410 2.538 1.00 0.00 C ATOM 486 O GLY A 35 11.267 9.568 2.795 1.00 0.00 O ATOM 0 H GLY A 35 9.885 6.510 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.888 7.603 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.209 6.690 2.837 1.00 0.00 H new ATOM 490 N ASP A 36 10.118 8.051 1.584 1.00 0.00 N ATOM 491 CA ASP A 36 9.440 8.964 0.686 1.00 0.00 C ATOM 492 C ASP A 36 8.051 8.362 0.430 1.00 0.00 C ATOM 493 O ASP A 36 7.697 8.031 -0.695 1.00 0.00 O ATOM 494 CB ASP A 36 10.236 9.132 -0.624 1.00 0.00 C ATOM 495 CG ASP A 36 9.617 10.132 -1.598 1.00 0.00 C ATOM 496 OD1 ASP A 36 8.747 9.730 -2.409 1.00 0.00 O ATOM 497 OD2 ASP A 36 10.004 11.314 -1.559 1.00 0.00 O ATOM 0 H ASP A 36 9.882 7.075 1.407 1.00 0.00 H new ATOM 0 HA ASP A 36 9.353 9.961 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.250 9.453 -0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.317 8.163 -1.116 1.00 0.00 H new ATOM 502 N PRO A 37 7.265 8.113 1.507 1.00 0.00 N ATOM 503 CA PRO A 37 5.937 7.474 1.408 1.00 0.00 C ATOM 504 C PRO A 37 4.964 8.262 0.551 1.00 0.00 C ATOM 505 O PRO A 37 4.243 9.139 1.021 1.00 0.00 O ATOM 506 CB PRO A 37 5.503 7.382 2.877 1.00 0.00 C ATOM 507 CG PRO A 37 6.816 7.243 3.550 1.00 0.00 C ATOM 508 CD PRO A 37 7.606 8.344 2.924 1.00 0.00 C ATOM 0 HA PRO A 37 5.964 6.505 0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.964 8.271 3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.852 6.528 3.062 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.735 7.363 4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.265 6.266 3.370 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.300 9.330 3.273 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.675 8.255 3.118 1.00 0.00 H new TER 516 PRO A 37