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= -0.785 (180deg=-2.11!) USER MOD Single : A 6 SER OG : rot -66:sc= 1.19 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.29 (180deg=1.18) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0883 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.922 4.063 1.650 1.00 0.00 N ATOM 2 CA LEU A 1 13.705 3.311 1.441 1.00 0.00 C ATOM 3 C LEU A 1 12.565 4.297 1.378 1.00 0.00 C ATOM 4 O LEU A 1 12.532 5.247 2.173 1.00 0.00 O ATOM 5 CB LEU A 1 13.428 2.283 2.581 1.00 0.00 C ATOM 6 CG LEU A 1 14.458 1.151 2.818 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.712 1.650 3.527 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.824 0.005 3.584 1.00 0.00 C ATOM 0 H1 LEU A 1 15.726 3.543 1.243 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.840 4.991 1.188 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.077 4.196 2.670 1.00 0.00 H new ATOM 0 HA LEU A 1 13.806 2.741 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.326 2.840 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.463 1.817 2.381 1.00 0.00 H new ATOM 0 HG LEU A 1 14.770 0.788 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.404 0.820 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.190 2.420 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.440 2.067 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.563 -0.781 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.467 0.366 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.986 -0.394 3.013 1.00 0.00 H new ATOM 22 N PRO A 2 11.648 4.146 0.409 1.00 0.00 N ATOM 23 CA PRO A 2 10.497 5.027 0.279 1.00 0.00 C ATOM 24 C PRO A 2 9.606 4.964 1.495 1.00 0.00 C ATOM 25 O PRO A 2 9.298 3.875 2.015 1.00 0.00 O ATOM 26 CB PRO A 2 9.750 4.499 -0.946 1.00 0.00 C ATOM 27 CG PRO A 2 10.746 3.685 -1.681 1.00 0.00 C ATOM 28 CD PRO A 2 11.671 3.122 -0.648 1.00 0.00 C ATOM 0 HA PRO A 2 10.800 6.069 0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.888 3.899 -0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.376 5.316 -1.563 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.259 2.888 -2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.292 4.295 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.326 2.155 -0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.676 2.973 -1.044 1.00 0.00 H new ATOM 36 N ARG A 3 9.227 6.118 1.956 1.00 0.00 N ATOM 37 CA ARG A 3 8.353 6.229 3.067 1.00 0.00 C ATOM 38 C ARG A 3 6.932 6.052 2.607 1.00 0.00 C ATOM 39 O ARG A 3 6.305 6.980 2.079 1.00 0.00 O ATOM 40 CB ARG A 3 8.531 7.556 3.805 1.00 0.00 C ATOM 41 CG ARG A 3 9.882 7.728 4.495 1.00 0.00 C ATOM 42 CD ARG A 3 10.113 6.668 5.578 1.00 0.00 C ATOM 43 NE ARG A 3 9.115 6.736 6.671 1.00 0.00 N ATOM 44 CZ ARG A 3 8.847 5.737 7.539 1.00 0.00 C ATOM 45 NH1 ARG A 3 9.425 4.549 7.395 1.00 0.00 N ATOM 46 NH2 ARG A 3 7.987 5.936 8.537 1.00 0.00 N ATOM 0 H ARG A 3 9.522 7.012 1.563 1.00 0.00 H new ATOM 0 HA ARG A 3 8.601 5.441 3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.395 8.372 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.743 7.649 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.678 7.668 3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.937 8.721 4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.080 5.678 5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.112 6.794 5.996 1.00 0.00 H new ATOM 0 HE ARG A 3 8.590 7.604 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.075 4.388 6.626 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.219 3.798 8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.532 6.842 8.645 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.784 5.182 9.193 1.00 0.00 H new ATOM 60 N CYS A 4 6.464 4.852 2.730 1.00 0.00 N ATOM 61 CA CYS A 4 5.116 4.523 2.388 1.00 0.00 C ATOM 62 C CYS A 4 4.224 5.081 3.491 1.00 0.00 C ATOM 63 O CYS A 4 3.197 5.732 3.222 1.00 0.00 O ATOM 64 CB CYS A 4 4.967 2.996 2.304 1.00 0.00 C ATOM 65 SG CYS A 4 6.279 2.146 1.337 1.00 0.00 S ATOM 0 H CYS A 4 7.012 4.064 3.074 1.00 0.00 H new ATOM 0 HA CYS A 4 4.838 4.946 1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.960 2.590 3.315 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.999 2.763 1.860 1.00 0.00 H new ATOM 70 N ASP A 5 4.668 4.837 4.751 1.00 0.00 N ATOM 71 CA ASP A 5 4.002 5.299 6.004 1.00 0.00 C ATOM 72 C ASP A 5 2.568 4.738 6.100 1.00 0.00 C ATOM 73 O ASP A 5 1.742 5.206 6.863 1.00 0.00 O ATOM 74 CB ASP A 5 4.013 6.854 6.078 1.00 0.00 C ATOM 75 CG ASP A 5 3.635 7.416 7.446 1.00 0.00 C ATOM 76 OD1 ASP A 5 2.473 7.826 7.658 1.00 0.00 O ATOM 77 OD2 ASP A 5 4.519 7.480 8.335 1.00 0.00 O ATOM 0 H ASP A 5 5.517 4.302 4.932 1.00 0.00 H new ATOM 0 HA ASP A 5 4.560 4.917 6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.007 7.213 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.322 7.247 5.332 1.00 0.00 H new ATOM 82 N SER A 6 2.330 3.691 5.360 1.00 0.00 N ATOM 83 CA SER A 6 1.053 3.071 5.247 1.00 0.00 C ATOM 84 C SER A 6 0.819 2.112 6.413 1.00 0.00 C ATOM 85 O SER A 6 1.532 1.106 6.544 1.00 0.00 O ATOM 86 CB SER A 6 1.054 2.282 3.951 1.00 0.00 C ATOM 87 OG SER A 6 1.740 3.015 2.941 1.00 0.00 O ATOM 0 H SER A 6 3.051 3.235 4.801 1.00 0.00 H new ATOM 0 HA SER A 6 0.266 3.825 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.536 1.316 4.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.030 2.081 3.636 1.00 0.00 H new ATOM 0 HG SER A 6 1.236 3.828 2.727 1.00 0.00 H new ATOM 93 N PRO A 7 -0.135 2.425 7.305 1.00 0.00 N ATOM 94 CA PRO A 7 -0.518 1.514 8.378 1.00 0.00 C ATOM 95 C PRO A 7 -1.118 0.257 7.762 1.00 0.00 C ATOM 96 O PRO A 7 -0.716 -0.874 8.074 1.00 0.00 O ATOM 97 CB PRO A 7 -1.595 2.286 9.160 1.00 0.00 C ATOM 98 CG PRO A 7 -1.458 3.709 8.732 1.00 0.00 C ATOM 99 CD PRO A 7 -0.887 3.686 7.343 1.00 0.00 C ATOM 0 HA PRO A 7 0.316 1.212 9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.591 1.904 8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.448 2.184 10.235 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.425 4.212 8.745 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.804 4.257 9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.671 3.709 6.586 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.241 4.545 7.160 1.00 0.00 H new ATOM 107 N PHE A 8 -2.049 0.476 6.855 1.00 0.00 N ATOM 108 CA PHE A 8 -2.698 -0.560 6.091 1.00 0.00 C ATOM 109 C PHE A 8 -2.976 0.026 4.734 1.00 0.00 C ATOM 110 O PHE A 8 -2.883 1.238 4.571 1.00 0.00 O ATOM 111 CB PHE A 8 -4.041 -0.994 6.722 1.00 0.00 C ATOM 112 CG PHE A 8 -3.957 -1.502 8.133 1.00 0.00 C ATOM 113 CD1 PHE A 8 -4.421 -0.731 9.180 1.00 0.00 C ATOM 114 CD2 PHE A 8 -3.411 -2.741 8.408 1.00 0.00 C ATOM 115 CE1 PHE A 8 -4.347 -1.183 10.477 1.00 0.00 C ATOM 116 CE2 PHE A 8 -3.330 -3.198 9.706 1.00 0.00 C ATOM 117 CZ PHE A 8 -3.800 -2.416 10.741 1.00 0.00 C ATOM 0 H PHE A 8 -2.382 1.412 6.625 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.056 -1.440 6.053 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.724 -0.145 6.700 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.480 -1.773 6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.848 0.240 8.978 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.045 -3.356 7.600 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.718 -0.571 11.286 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.899 -4.167 9.912 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.738 -2.773 11.759 1.00 0.00 H new ATOM 127 N CYS A 9 -3.297 -0.796 3.787 1.00 0.00 N ATOM 128 CA CYS A 9 -3.650 -0.352 2.470 1.00 0.00 C ATOM 129 C CYS A 9 -4.509 -1.432 1.867 1.00 0.00 C ATOM 130 O CYS A 9 -4.427 -2.603 2.283 1.00 0.00 O ATOM 131 CB CYS A 9 -2.398 -0.109 1.622 1.00 0.00 C ATOM 132 SG CYS A 9 -2.687 0.635 -0.032 1.00 0.00 S ATOM 0 H CYS A 9 -3.323 -1.809 3.905 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.188 0.595 2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.725 0.542 2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.883 -1.060 1.487 1.00 0.00 H new ATOM 137 N SER A 10 -5.344 -1.065 0.949 1.00 0.00 N ATOM 138 CA SER A 10 -6.288 -1.976 0.337 1.00 0.00 C ATOM 139 C SER A 10 -6.454 -1.601 -1.119 1.00 0.00 C ATOM 140 O SER A 10 -5.918 -0.603 -1.543 1.00 0.00 O ATOM 141 CB SER A 10 -7.648 -1.864 1.047 1.00 0.00 C ATOM 142 OG SER A 10 -7.538 -2.126 2.432 1.00 0.00 O ATOM 0 H SER A 10 -5.399 -0.112 0.590 1.00 0.00 H new ATOM 0 HA SER A 10 -5.920 -2.999 0.421 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.056 -0.864 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.351 -2.566 0.599 1.00 0.00 H new ATOM 0 HG SER A 10 -8.420 -2.044 2.851 1.00 0.00 H new ATOM 148 N LEU A 11 -7.218 -2.389 -1.878 1.00 0.00 N ATOM 149 CA LEU A 11 -7.474 -2.055 -3.277 1.00 0.00 C ATOM 150 C LEU A 11 -8.391 -0.835 -3.372 1.00 0.00 C ATOM 151 O LEU A 11 -8.431 -0.142 -4.386 1.00 0.00 O ATOM 152 CB LEU A 11 -8.070 -3.229 -4.090 1.00 0.00 C ATOM 153 CG LEU A 11 -9.491 -3.707 -3.731 1.00 0.00 C ATOM 154 CD1 LEU A 11 -10.084 -4.484 -4.887 1.00 0.00 C ATOM 155 CD2 LEU A 11 -9.487 -4.597 -2.506 1.00 0.00 C ATOM 0 H LEU A 11 -7.663 -3.248 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.504 -1.828 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.069 -2.942 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.396 -4.080 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.088 -2.820 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.088 -4.818 -4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.133 -3.844 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.458 -5.350 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.506 -4.914 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.867 -5.473 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.085 -4.045 -1.656 1.00 0.00 H new ATOM 167 N PHE A 12 -9.148 -0.601 -2.321 1.00 0.00 N ATOM 168 CA PHE A 12 -9.996 0.567 -2.252 1.00 0.00 C ATOM 169 C PHE A 12 -9.176 1.733 -1.729 1.00 0.00 C ATOM 170 O PHE A 12 -9.034 2.767 -2.389 1.00 0.00 O ATOM 171 CB PHE A 12 -11.210 0.322 -1.343 1.00 0.00 C ATOM 172 CG PHE A 12 -12.108 -0.793 -1.798 1.00 0.00 C ATOM 173 CD1 PHE A 12 -12.124 -2.010 -1.136 1.00 0.00 C ATOM 174 CD2 PHE A 12 -12.937 -0.621 -2.890 1.00 0.00 C ATOM 175 CE1 PHE A 12 -12.950 -3.031 -1.561 1.00 0.00 C ATOM 176 CE2 PHE A 12 -13.766 -1.641 -3.318 1.00 0.00 C ATOM 177 CZ PHE A 12 -13.772 -2.847 -2.653 1.00 0.00 C ATOM 0 H PHE A 12 -9.192 -1.207 -1.501 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.374 0.791 -3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.856 0.100 -0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.794 1.240 -1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.484 -2.161 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.937 0.322 -3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.953 -3.976 -1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -14.409 -1.492 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.418 -3.646 -2.986 1.00 0.00 H new ATOM 187 N ARG A 13 -8.600 1.549 -0.557 1.00 0.00 N ATOM 188 CA ARG A 13 -7.768 2.563 0.038 1.00 0.00 C ATOM 189 C ARG A 13 -6.340 2.374 -0.391 1.00 0.00 C ATOM 190 O ARG A 13 -5.542 1.778 0.319 1.00 0.00 O ATOM 191 CB ARG A 13 -7.893 2.641 1.583 1.00 0.00 C ATOM 192 CG ARG A 13 -9.200 3.246 2.108 1.00 0.00 C ATOM 193 CD ARG A 13 -10.409 2.388 1.791 1.00 0.00 C ATOM 194 NE ARG A 13 -11.659 3.030 2.184 1.00 0.00 N ATOM 195 CZ ARG A 13 -12.854 2.436 2.211 1.00 0.00 C ATOM 196 NH1 ARG A 13 -12.971 1.139 1.929 1.00 0.00 N ATOM 197 NH2 ARG A 13 -13.923 3.142 2.539 1.00 0.00 N ATOM 0 H ARG A 13 -8.697 0.700 0.000 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.128 3.524 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.789 1.635 1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.060 3.229 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.127 3.379 3.187 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.338 4.236 1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.432 2.176 0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.317 1.431 2.304 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.616 4.011 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.144 0.592 1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.888 0.693 1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.830 4.131 2.768 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.841 2.697 2.562 1.00 0.00 H new ATOM 211 N ILE A 14 -6.054 2.831 -1.591 1.00 0.00 N ATOM 212 CA ILE A 14 -4.726 2.720 -2.192 1.00 0.00 C ATOM 213 C ILE A 14 -3.902 3.956 -1.906 1.00 0.00 C ATOM 214 O ILE A 14 -2.672 3.953 -2.046 1.00 0.00 O ATOM 215 CB ILE A 14 -4.806 2.512 -3.734 1.00 0.00 C ATOM 216 CG1 ILE A 14 -5.679 3.602 -4.395 1.00 0.00 C ATOM 217 CG2 ILE A 14 -5.309 1.119 -4.070 1.00 0.00 C ATOM 218 CD1 ILE A 14 -5.762 3.510 -5.909 1.00 0.00 C ATOM 0 H ILE A 14 -6.737 3.296 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.249 1.848 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.799 2.605 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.687 3.541 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.283 4.581 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.355 1.000 -5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.629 0.376 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.304 0.979 -3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.394 4.313 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.763 3.603 -6.335 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.189 2.548 -6.192 1.00 0.00 H new ATOM 230 N GLY A 15 -4.584 5.000 -1.444 1.00 0.00 N ATOM 231 CA GLY A 15 -3.962 6.290 -1.192 1.00 0.00 C ATOM 232 C GLY A 15 -2.966 6.270 -0.049 1.00 0.00 C ATOM 233 O GLY A 15 -2.308 7.270 0.225 1.00 0.00 O ATOM 0 H GLY A 15 -5.582 4.973 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.456 6.623 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.739 7.022 -0.973 1.00 0.00 H new ATOM 237 N LEU A 16 -2.866 5.152 0.630 1.00 0.00 N ATOM 238 CA LEU A 16 -1.910 4.995 1.699 1.00 0.00 C ATOM 239 C LEU A 16 -0.525 4.762 1.130 1.00 0.00 C ATOM 240 O LEU A 16 0.476 5.042 1.782 1.00 0.00 O ATOM 241 CB LEU A 16 -2.296 3.863 2.664 1.00 0.00 C ATOM 242 CG LEU A 16 -3.514 4.091 3.584 1.00 0.00 C ATOM 243 CD1 LEU A 16 -3.367 5.362 4.400 1.00 0.00 C ATOM 244 CD2 LEU A 16 -4.823 4.079 2.817 1.00 0.00 C ATOM 0 H LEU A 16 -3.443 4.329 0.458 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.910 5.919 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.485 2.967 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.433 3.651 3.296 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.543 3.251 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.243 5.490 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.474 5.294 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.278 6.217 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.651 4.243 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.813 4.870 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.947 3.115 2.325 1.00 0.00 H new ATOM 256 N CYS A 17 -0.471 4.259 -0.079 1.00 0.00 N ATOM 257 CA CYS A 17 0.780 4.052 -0.760 1.00 0.00 C ATOM 258 C CYS A 17 0.792 4.960 -1.971 1.00 0.00 C ATOM 259 O CYS A 17 0.348 4.584 -3.057 1.00 0.00 O ATOM 260 CB CYS A 17 0.940 2.591 -1.174 1.00 0.00 C ATOM 261 SG CYS A 17 0.723 1.397 0.188 1.00 0.00 S ATOM 0 H CYS A 17 -1.293 3.982 -0.617 1.00 0.00 H new ATOM 0 HA CYS A 17 1.615 4.287 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.216 2.366 -1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.931 2.455 -1.607 1.00 0.00 H new ATOM 266 N GLY A 18 1.238 6.170 -1.769 1.00 0.00 N ATOM 267 CA GLY A 18 1.154 7.162 -2.798 1.00 0.00 C ATOM 268 C GLY A 18 2.367 7.241 -3.682 1.00 0.00 C ATOM 269 O GLY A 18 3.360 7.843 -3.306 1.00 0.00 O ATOM 0 H GLY A 18 1.663 6.490 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.281 6.954 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.992 8.136 -2.335 1.00 0.00 H new ATOM 273 N ASP A 19 2.306 6.535 -4.814 1.00 0.00 N ATOM 274 CA ASP A 19 3.259 6.607 -5.949 1.00 0.00 C ATOM 275 C ASP A 19 4.590 5.943 -5.679 1.00 0.00 C ATOM 276 O ASP A 19 5.221 5.377 -6.572 1.00 0.00 O ATOM 277 CB ASP A 19 3.426 8.061 -6.382 1.00 0.00 C ATOM 278 CG ASP A 19 4.353 8.273 -7.566 1.00 0.00 C ATOM 279 OD1 ASP A 19 3.921 8.073 -8.720 1.00 0.00 O ATOM 280 OD2 ASP A 19 5.511 8.712 -7.369 1.00 0.00 O ATOM 0 H ASP A 19 1.558 5.862 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 19 2.828 6.030 -6.767 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.445 8.466 -6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.803 8.636 -5.536 1.00 0.00 H new ATOM 285 N LYS A 20 4.983 5.971 -4.462 1.00 0.00 N ATOM 286 CA LYS A 20 6.289 5.472 -4.071 1.00 0.00 C ATOM 287 C LYS A 20 6.209 4.002 -3.706 1.00 0.00 C ATOM 288 O LYS A 20 7.184 3.253 -3.835 1.00 0.00 O ATOM 289 CB LYS A 20 6.825 6.279 -2.880 1.00 0.00 C ATOM 290 CG LYS A 20 6.556 7.780 -2.978 1.00 0.00 C ATOM 291 CD LYS A 20 7.074 8.392 -4.273 1.00 0.00 C ATOM 292 CE LYS A 20 6.622 9.833 -4.395 1.00 0.00 C ATOM 293 NZ LYS A 20 6.879 10.382 -5.733 1.00 0.00 N ATOM 0 H LYS A 20 4.424 6.337 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 20 6.970 5.585 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.374 5.898 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.900 6.117 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.483 7.957 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.023 8.284 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.163 8.343 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.711 7.817 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.556 9.898 -4.176 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.138 10.439 -3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.287 11.224 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.882 10.645 -5.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.650 9.666 -6.452 1.00 0.00 H new ATOM 307 N CYS A 21 5.043 3.580 -3.285 1.00 0.00 N ATOM 308 CA CYS A 21 4.853 2.228 -2.847 1.00 0.00 C ATOM 309 C CYS A 21 3.544 1.727 -3.401 1.00 0.00 C ATOM 310 O CYS A 21 2.725 2.528 -3.873 1.00 0.00 O ATOM 311 CB CYS A 21 4.835 2.166 -1.321 1.00 0.00 C ATOM 312 SG CYS A 21 6.230 3.002 -0.499 1.00 0.00 S ATOM 0 H CYS A 21 4.207 4.162 -3.238 1.00 0.00 H new ATOM 0 HA CYS A 21 5.672 1.604 -3.204 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.905 2.609 -0.965 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.827 1.120 -1.015 1.00 0.00 H new ATOM 317 N THR A 22 3.348 0.445 -3.361 1.00 0.00 N ATOM 318 CA THR A 22 2.136 -0.168 -3.825 1.00 0.00 C ATOM 319 C THR A 22 1.724 -1.222 -2.813 1.00 0.00 C ATOM 320 O THR A 22 2.578 -1.884 -2.229 1.00 0.00 O ATOM 321 CB THR A 22 2.374 -0.827 -5.203 1.00 0.00 C ATOM 322 OG1 THR A 22 2.900 0.154 -6.107 1.00 0.00 O ATOM 323 CG2 THR A 22 1.084 -1.393 -5.786 1.00 0.00 C ATOM 0 H THR A 22 4.035 -0.217 -3.000 1.00 0.00 H new ATOM 0 HA THR A 22 1.351 0.581 -3.931 1.00 0.00 H new ATOM 0 HB THR A 22 3.078 -1.648 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.055 -0.258 -6.983 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.291 -1.848 -6.755 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.679 -2.147 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.358 -0.590 -5.910 1.00 0.00 H new ATOM 331 N CYS A 23 0.461 -1.346 -2.567 1.00 0.00 N ATOM 332 CA CYS A 23 -0.001 -2.341 -1.659 1.00 0.00 C ATOM 333 C CYS A 23 -0.597 -3.515 -2.395 1.00 0.00 C ATOM 334 O CYS A 23 -1.330 -3.353 -3.384 1.00 0.00 O ATOM 335 CB CYS A 23 -0.967 -1.764 -0.630 1.00 0.00 C ATOM 336 SG CYS A 23 -2.431 -0.918 -1.308 1.00 0.00 S ATOM 0 H CYS A 23 -0.270 -0.769 -2.983 1.00 0.00 H new ATOM 0 HA CYS A 23 0.864 -2.708 -1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.305 -2.573 0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.422 -1.060 -0.002 1.00 0.00 H new ATOM 341 N VAL A 24 -0.239 -4.690 -1.946 1.00 0.00 N ATOM 342 CA VAL A 24 -0.728 -5.922 -2.506 1.00 0.00 C ATOM 343 C VAL A 24 -1.871 -6.412 -1.624 1.00 0.00 C ATOM 344 O VAL A 24 -1.627 -6.848 -0.505 1.00 0.00 O ATOM 345 CB VAL A 24 0.393 -6.999 -2.545 1.00 0.00 C ATOM 346 CG1 VAL A 24 -0.117 -8.296 -3.154 1.00 0.00 C ATOM 347 CG2 VAL A 24 1.605 -6.490 -3.316 1.00 0.00 C ATOM 0 H VAL A 24 0.410 -4.819 -1.170 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.065 -5.751 -3.528 1.00 0.00 H new ATOM 0 HB VAL A 24 0.697 -7.202 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.687 -9.032 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.946 -8.677 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.458 -8.110 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.377 -7.260 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.312 -6.251 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.995 -5.595 -2.832 1.00 0.00 H new ATOM 357 N PRO A 25 -3.125 -6.288 -2.082 1.00 0.00 N ATOM 358 CA PRO A 25 -4.294 -6.677 -1.298 1.00 0.00 C ATOM 359 C PRO A 25 -4.521 -8.188 -1.299 1.00 0.00 C ATOM 360 O PRO A 25 -4.429 -8.840 -2.350 1.00 0.00 O ATOM 361 CB PRO A 25 -5.463 -5.977 -2.016 1.00 0.00 C ATOM 362 CG PRO A 25 -4.852 -5.156 -3.107 1.00 0.00 C ATOM 363 CD PRO A 25 -3.518 -5.760 -3.393 1.00 0.00 C ATOM 0 HA PRO A 25 -4.182 -6.397 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.162 -6.707 -2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.025 -5.349 -1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.481 -5.164 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.749 -4.116 -2.799 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.581 -6.546 -4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.808 -5.020 -3.763 1.00 0.00 H new ATOM 371 N LEU A 26 -4.816 -8.745 -0.144 1.00 0.00 N ATOM 372 CA LEU A 26 -5.106 -10.151 -0.027 1.00 0.00 C ATOM 373 C LEU A 26 -6.161 -10.438 1.068 1.00 0.00 C ATOM 374 O LEU A 26 -5.838 -10.503 2.263 1.00 0.00 O ATOM 375 CB LEU A 26 -3.829 -11.035 0.168 1.00 0.00 C ATOM 376 CG LEU A 26 -2.943 -10.817 1.413 1.00 0.00 C ATOM 377 CD1 LEU A 26 -1.980 -11.977 1.553 1.00 0.00 C ATOM 378 CD2 LEU A 26 -2.142 -9.532 1.312 1.00 0.00 C ATOM 0 H LEU A 26 -4.861 -8.233 0.737 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.535 -10.440 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.149 -12.077 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.199 -10.899 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.599 -10.750 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.353 -11.825 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.541 -12.905 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.351 -12.037 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.531 -9.413 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.497 -9.573 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.822 -8.685 1.222 1.00 0.00 H new ATOM 390 N PRO A 27 -7.463 -10.511 0.702 1.00 0.00 N ATOM 391 CA PRO A 27 -7.974 -10.184 -0.643 1.00 0.00 C ATOM 392 C PRO A 27 -8.298 -8.689 -0.778 1.00 0.00 C ATOM 393 O PRO A 27 -8.235 -8.118 -1.869 1.00 0.00 O ATOM 394 CB PRO A 27 -9.289 -10.996 -0.725 1.00 0.00 C ATOM 395 CG PRO A 27 -9.354 -11.795 0.541 1.00 0.00 C ATOM 396 CD PRO A 27 -8.529 -11.049 1.538 1.00 0.00 C ATOM 0 HA PRO A 27 -7.250 -10.414 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.151 -10.336 -0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.293 -11.647 -1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.383 -11.899 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.966 -12.802 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.098 -10.261 2.032 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.144 -11.703 2.321 1.00 0.00 H new ATOM 404 N ILE A 28 -8.632 -8.059 0.337 1.00 0.00 N ATOM 405 CA ILE A 28 -9.014 -6.656 0.344 1.00 0.00 C ATOM 406 C ILE A 28 -7.865 -5.782 0.802 1.00 0.00 C ATOM 407 O ILE A 28 -7.440 -4.878 0.082 1.00 0.00 O ATOM 408 CB ILE A 28 -10.275 -6.391 1.226 1.00 0.00 C ATOM 409 CG1 ILE A 28 -11.487 -7.188 0.702 1.00 0.00 C ATOM 410 CG2 ILE A 28 -10.605 -4.896 1.312 1.00 0.00 C ATOM 411 CD1 ILE A 28 -11.887 -6.861 -0.729 1.00 0.00 C ATOM 0 H ILE A 28 -8.646 -8.502 1.256 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.269 -6.396 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.045 -6.734 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.262 -8.252 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.339 -7.001 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.488 -4.754 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.762 -4.362 1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.799 -4.508 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.747 -7.467 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.147 -5.805 -0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.054 -7.076 -1.398 1.00 0.00 H new ATOM 423 N PHE A 29 -7.364 -6.044 1.980 1.00 0.00 N ATOM 424 CA PHE A 29 -6.265 -5.281 2.513 1.00 0.00 C ATOM 425 C PHE A 29 -4.983 -6.057 2.332 1.00 0.00 C ATOM 426 O PHE A 29 -5.017 -7.278 2.152 1.00 0.00 O ATOM 427 CB PHE A 29 -6.495 -4.913 3.999 1.00 0.00 C ATOM 428 CG PHE A 29 -6.680 -6.088 4.925 1.00 0.00 C ATOM 429 CD1 PHE A 29 -7.940 -6.595 5.175 1.00 0.00 C ATOM 430 CD2 PHE A 29 -5.593 -6.679 5.545 1.00 0.00 C ATOM 431 CE1 PHE A 29 -8.111 -7.667 6.020 1.00 0.00 C ATOM 432 CE2 PHE A 29 -5.759 -7.752 6.391 1.00 0.00 C ATOM 433 CZ PHE A 29 -7.017 -8.247 6.628 1.00 0.00 C ATOM 0 H PHE A 29 -7.702 -6.786 2.593 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.192 -4.341 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.646 -4.325 4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.375 -4.274 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.800 -6.145 4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.601 -6.293 5.363 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.102 -8.054 6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.901 -8.203 6.867 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.150 -9.090 7.290 1.00 0.00 H new ATOM 443 N GLY A 30 -3.881 -5.380 2.347 1.00 0.00 N ATOM 444 CA GLY A 30 -2.628 -6.042 2.182 1.00 0.00 C ATOM 445 C GLY A 30 -1.502 -5.269 2.768 1.00 0.00 C ATOM 446 O GLY A 30 -1.719 -4.371 3.597 1.00 0.00 O ATOM 0 H GLY A 30 -3.823 -4.369 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.674 -7.025 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.442 -6.204 1.120 1.00 0.00 H new ATOM 450 N LEU A 31 -0.311 -5.615 2.371 1.00 0.00 N ATOM 451 CA LEU A 31 0.873 -4.937 2.823 1.00 0.00 C ATOM 452 C LEU A 31 1.367 -3.973 1.769 1.00 0.00 C ATOM 453 O LEU A 31 1.078 -4.148 0.574 1.00 0.00 O ATOM 454 CB LEU A 31 1.971 -5.932 3.291 1.00 0.00 C ATOM 455 CG LEU A 31 2.316 -7.150 2.388 1.00 0.00 C ATOM 456 CD1 LEU A 31 2.903 -6.752 1.040 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.265 -8.070 3.119 1.00 0.00 C ATOM 0 H LEU A 31 -0.132 -6.380 1.721 1.00 0.00 H new ATOM 0 HA LEU A 31 0.613 -4.349 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.889 -5.363 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.672 -6.318 4.265 1.00 0.00 H new ATOM 0 HG LEU A 31 1.379 -7.665 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.121 -7.648 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.186 -6.135 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.823 -6.188 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.506 -8.923 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.180 -7.530 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.795 -8.422 4.038 1.00 0.00 H new ATOM 469 N CYS A 32 2.065 -2.964 2.190 1.00 0.00 N ATOM 470 CA CYS A 32 2.561 -1.981 1.283 1.00 0.00 C ATOM 471 C CYS A 32 4.038 -2.222 1.035 1.00 0.00 C ATOM 472 O CYS A 32 4.836 -2.312 1.978 1.00 0.00 O ATOM 473 CB CYS A 32 2.315 -0.577 1.828 1.00 0.00 C ATOM 474 SG CYS A 32 2.595 0.750 0.614 1.00 0.00 S ATOM 0 H CYS A 32 2.305 -2.801 3.168 1.00 0.00 H new ATOM 0 HA CYS A 32 2.030 -2.063 0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.289 -0.514 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.966 -0.413 2.687 1.00 0.00 H new ATOM 479 N VAL A 33 4.394 -2.353 -0.206 1.00 0.00 N ATOM 480 CA VAL A 33 5.750 -2.630 -0.597 1.00 0.00 C ATOM 481 C VAL A 33 6.251 -1.469 -1.458 1.00 0.00 C ATOM 482 O VAL A 33 5.490 -0.942 -2.286 1.00 0.00 O ATOM 483 CB VAL A 33 5.853 -4.010 -1.368 1.00 0.00 C ATOM 484 CG1 VAL A 33 4.981 -4.044 -2.622 1.00 0.00 C ATOM 485 CG2 VAL A 33 7.294 -4.369 -1.713 1.00 0.00 C ATOM 0 H VAL A 33 3.746 -2.270 -0.989 1.00 0.00 H new ATOM 0 HA VAL A 33 6.377 -2.722 0.290 1.00 0.00 H new ATOM 0 HB VAL A 33 5.473 -4.764 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.088 -5.011 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.938 -3.891 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.294 -3.254 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.315 -5.323 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.720 -3.593 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.879 -4.449 -0.796 1.00 0.00 H new ATOM 495 N PRO A 34 7.480 -0.983 -1.221 1.00 0.00 N ATOM 496 CA PRO A 34 8.060 0.087 -2.017 1.00 0.00 C ATOM 497 C PRO A 34 8.117 -0.296 -3.499 1.00 0.00 C ATOM 498 O PRO A 34 8.668 -1.342 -3.877 1.00 0.00 O ATOM 499 CB PRO A 34 9.465 0.263 -1.443 1.00 0.00 C ATOM 500 CG PRO A 34 9.727 -0.971 -0.657 1.00 0.00 C ATOM 501 CD PRO A 34 8.395 -1.418 -0.151 1.00 0.00 C ATOM 0 HA PRO A 34 7.472 1.004 -1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.201 0.387 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.524 1.150 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.188 -1.740 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.412 -0.772 0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.360 -2.497 -0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.149 -0.956 0.805 1.00 0.00 H new ATOM 509 N ASP A 35 7.561 0.546 -4.324 1.00 0.00 N ATOM 510 CA ASP A 35 7.448 0.260 -5.738 1.00 0.00 C ATOM 511 C ASP A 35 8.688 0.723 -6.435 1.00 0.00 C ATOM 512 O ASP A 35 9.223 0.038 -7.306 1.00 0.00 O ATOM 513 CB ASP A 35 6.206 0.938 -6.334 1.00 0.00 C ATOM 514 CG ASP A 35 6.049 0.689 -7.824 1.00 0.00 C ATOM 515 OD1 ASP A 35 5.652 -0.432 -8.216 1.00 0.00 O ATOM 516 OD2 ASP A 35 6.291 1.619 -8.623 1.00 0.00 O ATOM 0 H ASP A 35 7.173 1.447 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 35 7.337 -0.815 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.318 0.576 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.264 2.012 -6.155 1.00 0.00 H new ATOM 521 N VAL A 36 9.170 1.857 -6.023 1.00 0.00 N ATOM 522 CA VAL A 36 10.364 2.412 -6.582 1.00 0.00 C ATOM 523 C VAL A 36 11.609 1.795 -5.915 1.00 0.00 C ATOM 524 O VAL A 36 12.036 2.237 -4.835 1.00 0.00 O ATOM 525 CB VAL A 36 10.363 3.975 -6.558 1.00 0.00 C ATOM 526 CG1 VAL A 36 10.066 4.537 -5.172 1.00 0.00 C ATOM 527 CG2 VAL A 36 11.673 4.522 -7.102 1.00 0.00 C ATOM 528 OXT VAL A 36 12.148 0.821 -6.464 1.00 0.00 O ATOM 0 H VAL A 36 8.745 2.424 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 36 10.399 2.146 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 36 9.553 4.305 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.077 5.626 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.084 4.196 -4.844 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.824 4.191 -4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.651 5.611 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.500 4.161 -6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.809 4.186 -8.130 1.00 0.00 H new TER 538 VAL A 36