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+ -131:sc= -0.446 (180deg=-2.46!) USER MOD Single : A 6 SER OG : rot -160:sc= -0.445 USER MOD Single : A 10 SER OG : rot 4:sc= -0.166 USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.912) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.423 6.572 8.840 1.00 0.00 N ATOM 2 CA LEU A 1 11.223 6.870 8.055 1.00 0.00 C ATOM 3 C LEU A 1 10.865 5.652 7.233 1.00 0.00 C ATOM 4 O LEU A 1 11.757 4.898 6.843 1.00 0.00 O ATOM 5 CB LEU A 1 11.411 8.097 7.117 1.00 0.00 C ATOM 6 CG LEU A 1 11.422 9.512 7.752 1.00 0.00 C ATOM 7 CD1 LEU A 1 12.586 9.720 8.693 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.422 10.577 6.671 1.00 0.00 C ATOM 0 H1 LEU A 1 12.266 6.844 9.831 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.627 5.554 8.789 1.00 0.00 H new ATOM 0 H3 LEU A 1 13.229 7.107 8.458 1.00 0.00 H new ATOM 0 HA LEU A 1 10.422 7.121 8.750 1.00 0.00 H new ATOM 0 HB2 LEU A 1 12.351 7.965 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.615 8.072 6.373 1.00 0.00 H new ATOM 0 HG LEU A 1 10.513 9.599 8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.543 10.727 9.108 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.534 8.992 9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 1 13.521 9.592 8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.430 11.564 7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.308 10.462 6.047 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.528 10.471 6.056 1.00 0.00 H new ATOM 22 N PRO A 2 9.568 5.402 6.986 1.00 0.00 N ATOM 23 CA PRO A 2 9.139 4.290 6.148 1.00 0.00 C ATOM 24 C PRO A 2 9.369 4.604 4.685 1.00 0.00 C ATOM 25 O PRO A 2 9.315 5.756 4.278 1.00 0.00 O ATOM 26 CB PRO A 2 7.637 4.158 6.441 1.00 0.00 C ATOM 27 CG PRO A 2 7.342 5.119 7.541 1.00 0.00 C ATOM 28 CD PRO A 2 8.415 6.157 7.500 1.00 0.00 C ATOM 0 HA PRO A 2 9.690 3.373 6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.046 4.388 5.555 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.386 3.139 6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.360 5.572 7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.330 4.612 8.506 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.151 6.989 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.612 6.577 8.487 1.00 0.00 H new ATOM 36 N ARG A 3 9.606 3.586 3.902 1.00 0.00 N ATOM 37 CA ARG A 3 9.929 3.747 2.489 1.00 0.00 C ATOM 38 C ARG A 3 8.726 4.039 1.631 1.00 0.00 C ATOM 39 O ARG A 3 8.823 4.626 0.551 1.00 0.00 O ATOM 40 CB ARG A 3 10.698 2.549 1.976 1.00 0.00 C ATOM 41 CG ARG A 3 12.132 2.446 2.479 1.00 0.00 C ATOM 42 CD ARG A 3 12.999 3.563 1.916 1.00 0.00 C ATOM 43 NE ARG A 3 13.010 3.555 0.448 1.00 0.00 N ATOM 44 CZ ARG A 3 13.400 4.573 -0.329 1.00 0.00 C ATOM 45 NH1 ARG A 3 13.921 5.676 0.216 1.00 0.00 N ATOM 46 NH2 ARG A 3 13.297 4.470 -1.649 1.00 0.00 N ATOM 0 H ARG A 3 9.583 2.616 4.216 1.00 0.00 H new ATOM 0 HA ARG A 3 10.566 4.628 2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.163 1.643 2.260 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.712 2.583 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 3 12.141 2.490 3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.550 1.480 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 3 12.630 4.525 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.018 3.455 2.288 1.00 0.00 H new ATOM 0 HE ARG A 3 12.695 2.704 -0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.023 5.745 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.217 6.449 -0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.922 3.618 -2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.593 5.243 -2.245 1.00 0.00 H new ATOM 60 N CYS A 4 7.634 3.655 2.113 1.00 0.00 N ATOM 61 CA CYS A 4 6.377 3.851 1.417 1.00 0.00 C ATOM 62 C CYS A 4 5.482 4.802 2.174 1.00 0.00 C ATOM 63 O CYS A 4 4.457 5.253 1.656 1.00 0.00 O ATOM 64 CB CYS A 4 5.682 2.519 1.180 1.00 0.00 C ATOM 65 SG CYS A 4 6.631 1.382 0.125 1.00 0.00 S ATOM 0 H CYS A 4 7.546 3.184 3.014 1.00 0.00 H new ATOM 0 HA CYS A 4 6.592 4.299 0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.495 2.040 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.710 2.702 0.721 1.00 0.00 H new ATOM 70 N ASP A 5 5.878 5.090 3.418 1.00 0.00 N ATOM 71 CA ASP A 5 5.172 6.024 4.315 1.00 0.00 C ATOM 72 C ASP A 5 3.751 5.572 4.615 1.00 0.00 C ATOM 73 O ASP A 5 2.912 6.356 5.061 1.00 0.00 O ATOM 74 CB ASP A 5 5.178 7.458 3.754 1.00 0.00 C ATOM 75 CG ASP A 5 6.538 8.102 3.780 1.00 0.00 C ATOM 76 OD1 ASP A 5 6.943 8.608 4.844 1.00 0.00 O ATOM 77 OD2 ASP A 5 7.227 8.145 2.738 1.00 0.00 O ATOM 0 H ASP A 5 6.710 4.677 3.841 1.00 0.00 H new ATOM 0 HA ASP A 5 5.721 6.023 5.257 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.811 7.441 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.483 8.069 4.330 1.00 0.00 H new ATOM 82 N SER A 6 3.496 4.307 4.432 1.00 0.00 N ATOM 83 CA SER A 6 2.189 3.783 4.635 1.00 0.00 C ATOM 84 C SER A 6 2.225 2.703 5.706 1.00 0.00 C ATOM 85 O SER A 6 2.976 1.722 5.584 1.00 0.00 O ATOM 86 CB SER A 6 1.652 3.229 3.313 1.00 0.00 C ATOM 87 OG SER A 6 0.331 2.734 3.437 1.00 0.00 O ATOM 0 H SER A 6 4.190 3.619 4.139 1.00 0.00 H new ATOM 0 HA SER A 6 1.523 4.575 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.675 4.013 2.557 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.306 2.430 2.963 1.00 0.00 H new ATOM 0 HG SER A 6 0.141 2.120 2.697 1.00 0.00 H new ATOM 93 N PRO A 7 1.460 2.881 6.795 1.00 0.00 N ATOM 94 CA PRO A 7 1.376 1.878 7.839 1.00 0.00 C ATOM 95 C PRO A 7 0.642 0.623 7.336 1.00 0.00 C ATOM 96 O PRO A 7 1.034 -0.505 7.640 1.00 0.00 O ATOM 97 CB PRO A 7 0.588 2.575 8.959 1.00 0.00 C ATOM 98 CG PRO A 7 -0.170 3.669 8.283 1.00 0.00 C ATOM 99 CD PRO A 7 0.656 4.087 7.102 1.00 0.00 C ATOM 0 HA PRO A 7 2.354 1.532 8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.086 1.879 9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.257 2.973 9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.154 3.322 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.331 4.507 8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.031 4.377 6.258 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.290 4.942 7.338 1.00 0.00 H new ATOM 107 N PHE A 8 -0.405 0.840 6.552 1.00 0.00 N ATOM 108 CA PHE A 8 -1.210 -0.215 5.965 1.00 0.00 C ATOM 109 C PHE A 8 -2.151 0.417 4.962 1.00 0.00 C ATOM 110 O PHE A 8 -2.348 1.641 4.982 1.00 0.00 O ATOM 111 CB PHE A 8 -2.030 -0.995 7.040 1.00 0.00 C ATOM 112 CG PHE A 8 -3.085 -0.182 7.774 1.00 0.00 C ATOM 113 CD1 PHE A 8 -2.757 0.561 8.898 1.00 0.00 C ATOM 114 CD2 PHE A 8 -4.404 -0.170 7.335 1.00 0.00 C ATOM 115 CE1 PHE A 8 -3.715 1.299 9.564 1.00 0.00 C ATOM 116 CE2 PHE A 8 -5.365 0.564 7.999 1.00 0.00 C ATOM 117 CZ PHE A 8 -5.020 1.301 9.114 1.00 0.00 C ATOM 0 H PHE A 8 -0.723 1.777 6.303 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.548 -0.935 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.519 -1.840 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.336 -1.405 7.774 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.738 0.562 9.257 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.680 -0.743 6.462 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.444 1.874 10.437 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.386 0.562 7.647 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.770 1.879 9.634 1.00 0.00 H new ATOM 127 N CYS A 9 -2.720 -0.385 4.113 1.00 0.00 N ATOM 128 CA CYS A 9 -3.696 0.070 3.154 1.00 0.00 C ATOM 129 C CYS A 9 -4.675 -1.069 2.867 1.00 0.00 C ATOM 130 O CYS A 9 -4.649 -2.086 3.564 1.00 0.00 O ATOM 131 CB CYS A 9 -2.997 0.593 1.882 1.00 0.00 C ATOM 132 SG CYS A 9 -1.750 -0.526 1.168 1.00 0.00 S ATOM 0 H CYS A 9 -2.522 -1.384 4.062 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.265 0.908 3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.756 0.795 1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.518 1.544 2.115 1.00 0.00 H new ATOM 137 N SER A 10 -5.562 -0.902 1.919 1.00 0.00 N ATOM 138 CA SER A 10 -6.521 -1.931 1.529 1.00 0.00 C ATOM 139 C SER A 10 -6.938 -1.655 0.097 1.00 0.00 C ATOM 140 O SER A 10 -6.580 -0.625 -0.422 1.00 0.00 O ATOM 141 CB SER A 10 -7.749 -1.926 2.463 1.00 0.00 C ATOM 142 OG SER A 10 -7.396 -2.262 3.806 1.00 0.00 O ATOM 0 H SER A 10 -5.648 -0.039 1.382 1.00 0.00 H new ATOM 0 HA SER A 10 -6.063 -2.917 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.215 -0.941 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.489 -2.635 2.094 1.00 0.00 H new ATOM 0 HG SER A 10 -6.425 -2.374 3.871 1.00 0.00 H new ATOM 148 N LEU A 11 -7.698 -2.544 -0.534 1.00 0.00 N ATOM 149 CA LEU A 11 -8.106 -2.325 -1.929 1.00 0.00 C ATOM 150 C LEU A 11 -9.029 -1.115 -2.082 1.00 0.00 C ATOM 151 O LEU A 11 -9.065 -0.474 -3.124 1.00 0.00 O ATOM 152 CB LEU A 11 -8.691 -3.616 -2.571 1.00 0.00 C ATOM 153 CG LEU A 11 -10.021 -4.191 -2.039 1.00 0.00 C ATOM 154 CD1 LEU A 11 -11.223 -3.450 -2.606 1.00 0.00 C ATOM 155 CD2 LEU A 11 -10.120 -5.666 -2.360 1.00 0.00 C ATOM 0 H LEU A 11 -8.042 -3.409 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.203 -2.084 -2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.821 -3.422 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.937 -4.398 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.028 -4.057 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.140 -3.885 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.168 -2.398 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.224 -3.535 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.063 -6.059 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.078 -5.807 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.291 -6.197 -1.892 1.00 0.00 H new ATOM 167 N PHE A 12 -9.761 -0.802 -1.026 1.00 0.00 N ATOM 168 CA PHE A 12 -10.662 0.348 -1.049 1.00 0.00 C ATOM 169 C PHE A 12 -9.898 1.643 -0.778 1.00 0.00 C ATOM 170 O PHE A 12 -10.372 2.726 -1.088 1.00 0.00 O ATOM 171 CB PHE A 12 -11.797 0.207 -0.028 1.00 0.00 C ATOM 172 CG PHE A 12 -12.685 -0.997 -0.197 1.00 0.00 C ATOM 173 CD1 PHE A 12 -12.510 -2.125 0.592 1.00 0.00 C ATOM 174 CD2 PHE A 12 -13.707 -0.992 -1.130 1.00 0.00 C ATOM 175 CE1 PHE A 12 -13.338 -3.222 0.448 1.00 0.00 C ATOM 176 CE2 PHE A 12 -14.533 -2.086 -1.279 1.00 0.00 C ATOM 177 CZ PHE A 12 -14.349 -3.200 -0.489 1.00 0.00 C ATOM 0 H PHE A 12 -9.753 -1.320 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 12 -11.099 0.384 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.360 0.176 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.417 1.102 -0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.718 -2.146 1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -13.860 -0.120 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -13.193 -4.094 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.324 -2.070 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.997 -4.056 -0.604 1.00 0.00 H new ATOM 187 N ARG A 13 -8.739 1.523 -0.159 1.00 0.00 N ATOM 188 CA ARG A 13 -7.900 2.670 0.145 1.00 0.00 C ATOM 189 C ARG A 13 -6.487 2.389 -0.310 1.00 0.00 C ATOM 190 O ARG A 13 -5.649 1.915 0.469 1.00 0.00 O ATOM 191 CB ARG A 13 -7.904 3.078 1.651 1.00 0.00 C ATOM 192 CG ARG A 13 -9.193 3.727 2.196 1.00 0.00 C ATOM 193 CD ARG A 13 -10.338 2.742 2.332 1.00 0.00 C ATOM 194 NE ARG A 13 -11.548 3.356 2.903 1.00 0.00 N ATOM 195 CZ ARG A 13 -12.683 2.703 3.208 1.00 0.00 C ATOM 196 NH1 ARG A 13 -12.761 1.381 3.067 1.00 0.00 N ATOM 197 NH2 ARG A 13 -13.722 3.376 3.684 1.00 0.00 N ATOM 0 H ARG A 13 -8.352 0.630 0.147 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.322 3.518 -0.395 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.696 2.187 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.079 3.771 1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.986 4.172 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.494 4.537 1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.574 2.327 1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.024 1.911 2.963 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.523 4.360 3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.956 0.856 2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.626 0.893 3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.658 4.385 3.817 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.585 2.884 3.917 1.00 0.00 H new ATOM 211 N ILE A 14 -6.246 2.597 -1.589 1.00 0.00 N ATOM 212 CA ILE A 14 -4.932 2.351 -2.172 1.00 0.00 C ATOM 213 C ILE A 14 -4.167 3.647 -2.337 1.00 0.00 C ATOM 214 O ILE A 14 -2.979 3.644 -2.674 1.00 0.00 O ATOM 215 CB ILE A 14 -5.007 1.621 -3.541 1.00 0.00 C ATOM 216 CG1 ILE A 14 -5.896 2.394 -4.533 1.00 0.00 C ATOM 217 CG2 ILE A 14 -5.486 0.187 -3.370 1.00 0.00 C ATOM 218 CD1 ILE A 14 -5.926 1.804 -5.928 1.00 0.00 C ATOM 0 H ILE A 14 -6.943 2.937 -2.251 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.408 1.697 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.001 1.586 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.913 2.427 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.544 3.424 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.529 -0.301 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.794 -0.353 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.479 0.186 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.574 2.407 -6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.917 1.796 -6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.308 0.784 -5.884 1.00 0.00 H new ATOM 230 N GLY A 15 -4.844 4.756 -2.037 1.00 0.00 N ATOM 231 CA GLY A 15 -4.262 6.087 -2.166 1.00 0.00 C ATOM 232 C GLY A 15 -3.136 6.336 -1.181 1.00 0.00 C ATOM 233 O GLY A 15 -2.458 7.364 -1.242 1.00 0.00 O ATOM 0 H GLY A 15 -5.807 4.755 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.886 6.217 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.041 6.835 -2.017 1.00 0.00 H new ATOM 237 N LEU A 16 -2.957 5.406 -0.259 1.00 0.00 N ATOM 238 CA LEU A 16 -1.857 5.453 0.687 1.00 0.00 C ATOM 239 C LEU A 16 -0.526 5.292 -0.041 1.00 0.00 C ATOM 240 O LEU A 16 0.478 5.907 0.332 1.00 0.00 O ATOM 241 CB LEU A 16 -1.982 4.357 1.771 1.00 0.00 C ATOM 242 CG LEU A 16 -3.044 4.529 2.880 1.00 0.00 C ATOM 243 CD1 LEU A 16 -2.819 5.807 3.668 1.00 0.00 C ATOM 244 CD2 LEU A 16 -4.460 4.462 2.334 1.00 0.00 C ATOM 0 H LEU A 16 -3.569 4.598 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.896 6.425 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.182 3.413 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.011 4.259 2.256 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.926 3.688 3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.583 5.898 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.834 5.779 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.878 6.664 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.171 4.588 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.605 5.255 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.621 3.495 1.858 1.00 0.00 H new ATOM 256 N CYS A 17 -0.528 4.502 -1.098 1.00 0.00 N ATOM 257 CA CYS A 17 0.682 4.237 -1.830 1.00 0.00 C ATOM 258 C CYS A 17 0.495 4.525 -3.299 1.00 0.00 C ATOM 259 O CYS A 17 -0.126 3.746 -4.029 1.00 0.00 O ATOM 260 CB CYS A 17 1.125 2.795 -1.639 1.00 0.00 C ATOM 261 SG CYS A 17 1.293 2.298 0.103 1.00 0.00 S ATOM 0 H CYS A 17 -1.358 4.035 -1.464 1.00 0.00 H new ATOM 0 HA CYS A 17 1.457 4.897 -1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.406 2.137 -2.126 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.081 2.650 -2.142 1.00 0.00 H new ATOM 266 N GLY A 18 0.996 5.641 -3.721 1.00 0.00 N ATOM 267 CA GLY A 18 0.937 6.007 -5.093 1.00 0.00 C ATOM 268 C GLY A 18 2.251 6.564 -5.516 1.00 0.00 C ATOM 269 O GLY A 18 2.969 7.137 -4.677 1.00 0.00 O ATOM 0 H GLY A 18 1.458 6.324 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.686 5.138 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.150 6.745 -5.250 1.00 0.00 H new ATOM 273 N ASP A 19 2.621 6.323 -6.779 1.00 0.00 N ATOM 274 CA ASP A 19 3.848 6.821 -7.422 1.00 0.00 C ATOM 275 C ASP A 19 5.103 6.093 -6.974 1.00 0.00 C ATOM 276 O ASP A 19 6.072 5.970 -7.724 1.00 0.00 O ATOM 277 CB ASP A 19 3.970 8.329 -7.215 1.00 0.00 C ATOM 278 CG ASP A 19 5.268 8.935 -7.727 1.00 0.00 C ATOM 279 OD1 ASP A 19 5.363 9.223 -8.932 1.00 0.00 O ATOM 280 OD2 ASP A 19 6.206 9.174 -6.904 1.00 0.00 O ATOM 0 H ASP A 19 2.054 5.754 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 19 3.758 6.612 -8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.134 8.820 -7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.878 8.545 -6.151 1.00 0.00 H new ATOM 285 N LYS A 20 5.072 5.575 -5.787 1.00 0.00 N ATOM 286 CA LYS A 20 6.260 5.008 -5.191 1.00 0.00 C ATOM 287 C LYS A 20 6.113 3.526 -4.854 1.00 0.00 C ATOM 288 O LYS A 20 7.022 2.713 -5.127 1.00 0.00 O ATOM 289 CB LYS A 20 6.624 5.807 -3.947 1.00 0.00 C ATOM 290 CG LYS A 20 6.654 7.302 -4.210 1.00 0.00 C ATOM 291 CD LYS A 20 7.177 8.093 -3.050 1.00 0.00 C ATOM 292 CE LYS A 20 6.973 9.590 -3.283 1.00 0.00 C ATOM 293 NZ LYS A 20 7.508 10.043 -4.594 1.00 0.00 N ATOM 0 H LYS A 20 4.238 5.529 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 20 7.061 5.071 -5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.903 5.594 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.600 5.485 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.274 7.498 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.647 7.643 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.667 7.789 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.237 7.883 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.909 9.820 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.460 10.148 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.611 11.078 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.436 9.604 -4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.852 9.764 -5.352 1.00 0.00 H new ATOM 307 N CYS A 21 4.993 3.161 -4.288 1.00 0.00 N ATOM 308 CA CYS A 21 4.782 1.803 -3.869 1.00 0.00 C ATOM 309 C CYS A 21 3.403 1.379 -4.279 1.00 0.00 C ATOM 310 O CYS A 21 2.576 2.232 -4.617 1.00 0.00 O ATOM 311 CB CYS A 21 4.931 1.691 -2.358 1.00 0.00 C ATOM 312 SG CYS A 21 6.536 2.257 -1.704 1.00 0.00 S ATOM 0 H CYS A 21 4.210 3.789 -4.106 1.00 0.00 H new ATOM 0 HA CYS A 21 5.523 1.156 -4.339 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.137 2.269 -1.885 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.783 0.651 -2.069 1.00 0.00 H new ATOM 317 N THR A 22 3.146 0.103 -4.241 1.00 0.00 N ATOM 318 CA THR A 22 1.878 -0.419 -4.657 1.00 0.00 C ATOM 319 C THR A 22 1.284 -1.267 -3.528 1.00 0.00 C ATOM 320 O THR A 22 2.022 -1.952 -2.809 1.00 0.00 O ATOM 321 CB THR A 22 2.060 -1.282 -5.939 1.00 0.00 C ATOM 322 OG1 THR A 22 2.790 -0.525 -6.939 1.00 0.00 O ATOM 323 CG2 THR A 22 0.713 -1.700 -6.522 1.00 0.00 C ATOM 0 H THR A 22 3.809 -0.603 -3.921 1.00 0.00 H new ATOM 0 HA THR A 22 1.199 0.403 -4.882 1.00 0.00 H new ATOM 0 HB THR A 22 2.615 -2.179 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.904 -1.072 -7.744 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.875 -2.302 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.164 -2.286 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.137 -0.812 -6.781 1.00 0.00 H new ATOM 331 N CYS A 23 -0.007 -1.176 -3.339 1.00 0.00 N ATOM 332 CA CYS A 23 -0.692 -1.958 -2.341 1.00 0.00 C ATOM 333 C CYS A 23 -1.168 -3.273 -2.918 1.00 0.00 C ATOM 334 O CYS A 23 -1.878 -3.301 -3.923 1.00 0.00 O ATOM 335 CB CYS A 23 -1.884 -1.196 -1.761 1.00 0.00 C ATOM 336 SG CYS A 23 -1.444 0.212 -0.701 1.00 0.00 S ATOM 0 H CYS A 23 -0.615 -0.556 -3.874 1.00 0.00 H new ATOM 0 HA CYS A 23 0.021 -2.156 -1.541 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.502 -0.835 -2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.495 -1.890 -1.184 1.00 0.00 H new ATOM 341 N VAL A 24 -0.748 -4.351 -2.308 1.00 0.00 N ATOM 342 CA VAL A 24 -1.195 -5.670 -2.683 1.00 0.00 C ATOM 343 C VAL A 24 -2.208 -6.138 -1.641 1.00 0.00 C ATOM 344 O VAL A 24 -1.824 -6.502 -0.525 1.00 0.00 O ATOM 345 CB VAL A 24 -0.016 -6.687 -2.758 1.00 0.00 C ATOM 346 CG1 VAL A 24 -0.510 -8.072 -3.178 1.00 0.00 C ATOM 347 CG2 VAL A 24 1.058 -6.196 -3.718 1.00 0.00 C ATOM 0 H VAL A 24 -0.084 -4.340 -1.534 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.642 -5.621 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 24 0.418 -6.768 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.333 -8.761 -3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.237 -8.435 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.979 -8.009 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.871 -6.921 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.630 -6.079 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.443 -5.236 -3.373 1.00 0.00 H new ATOM 357 N PRO A 25 -3.511 -6.040 -1.943 1.00 0.00 N ATOM 358 CA PRO A 25 -4.564 -6.471 -1.037 1.00 0.00 C ATOM 359 C PRO A 25 -4.657 -7.975 -0.966 1.00 0.00 C ATOM 360 O PRO A 25 -4.814 -8.650 -1.982 1.00 0.00 O ATOM 361 CB PRO A 25 -5.842 -5.862 -1.631 1.00 0.00 C ATOM 362 CG PRO A 25 -5.367 -4.927 -2.692 1.00 0.00 C ATOM 363 CD PRO A 25 -4.074 -5.493 -3.175 1.00 0.00 C ATOM 0 HA PRO A 25 -4.383 -6.147 -0.012 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.491 -6.633 -2.046 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.419 -5.336 -0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.091 -4.855 -3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.231 -3.921 -2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.222 -6.261 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.432 -4.730 -3.615 1.00 0.00 H new ATOM 371 N LEU A 26 -4.550 -8.493 0.216 1.00 0.00 N ATOM 372 CA LEU A 26 -4.567 -9.893 0.431 1.00 0.00 C ATOM 373 C LEU A 26 -5.457 -10.319 1.618 1.00 0.00 C ATOM 374 O LEU A 26 -5.029 -10.338 2.755 1.00 0.00 O ATOM 375 CB LEU A 26 -3.113 -10.460 0.481 1.00 0.00 C ATOM 376 CG LEU A 26 -2.011 -9.624 1.209 1.00 0.00 C ATOM 377 CD1 LEU A 26 -2.149 -9.620 2.720 1.00 0.00 C ATOM 378 CD2 LEU A 26 -0.634 -10.100 0.801 1.00 0.00 C ATOM 0 H LEU A 26 -4.447 -7.941 1.068 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.052 -10.355 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.155 -11.439 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.784 -10.619 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.150 -8.591 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.350 -9.020 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.114 -9.195 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.082 -10.642 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.123 -9.508 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.518 -11.150 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.514 -9.985 -0.276 1.00 0.00 H new ATOM 390 N PRO A 27 -6.757 -10.591 1.380 1.00 0.00 N ATOM 391 CA PRO A 27 -7.431 -10.375 0.090 1.00 0.00 C ATOM 392 C PRO A 27 -8.004 -8.951 -0.030 1.00 0.00 C ATOM 393 O PRO A 27 -8.133 -8.412 -1.128 1.00 0.00 O ATOM 394 CB PRO A 27 -8.592 -11.396 0.127 1.00 0.00 C ATOM 395 CG PRO A 27 -8.454 -12.127 1.431 1.00 0.00 C ATOM 396 CD PRO A 27 -7.655 -11.235 2.326 1.00 0.00 C ATOM 0 HA PRO A 27 -6.750 -10.496 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.557 -10.893 0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.533 -12.085 -0.715 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.432 -12.339 1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.954 -13.085 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.282 -10.514 2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.113 -11.798 3.086 1.00 0.00 H new ATOM 404 N ILE A 28 -8.340 -8.343 1.099 1.00 0.00 N ATOM 405 CA ILE A 28 -8.929 -7.014 1.089 1.00 0.00 C ATOM 406 C ILE A 28 -7.963 -5.977 1.651 1.00 0.00 C ATOM 407 O ILE A 28 -7.760 -4.917 1.035 1.00 0.00 O ATOM 408 CB ILE A 28 -10.299 -6.966 1.821 1.00 0.00 C ATOM 409 CG1 ILE A 28 -11.284 -7.934 1.139 1.00 0.00 C ATOM 410 CG2 ILE A 28 -10.865 -5.541 1.835 1.00 0.00 C ATOM 411 CD1 ILE A 28 -12.654 -7.984 1.776 1.00 0.00 C ATOM 0 H ILE A 28 -8.215 -8.747 2.027 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.123 -6.764 0.046 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.154 -7.275 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.393 -7.645 0.094 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.855 -8.936 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.824 -5.535 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.170 -4.879 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.004 -5.195 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -13.282 -8.690 1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.561 -8.305 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.108 -6.993 1.742 1.00 0.00 H new ATOM 423 N PHE A 29 -7.368 -6.263 2.804 1.00 0.00 N ATOM 424 CA PHE A 29 -6.362 -5.370 3.354 1.00 0.00 C ATOM 425 C PHE A 29 -5.091 -5.551 2.566 1.00 0.00 C ATOM 426 O PHE A 29 -4.793 -6.654 2.129 1.00 0.00 O ATOM 427 CB PHE A 29 -6.131 -5.577 4.874 1.00 0.00 C ATOM 428 CG PHE A 29 -5.638 -6.944 5.302 1.00 0.00 C ATOM 429 CD1 PHE A 29 -6.533 -7.934 5.665 1.00 0.00 C ATOM 430 CD2 PHE A 29 -4.278 -7.222 5.368 1.00 0.00 C ATOM 431 CE1 PHE A 29 -6.090 -9.172 6.080 1.00 0.00 C ATOM 432 CE2 PHE A 29 -3.831 -8.459 5.780 1.00 0.00 C ATOM 433 CZ PHE A 29 -4.738 -9.437 6.137 1.00 0.00 C ATOM 0 H PHE A 29 -7.562 -7.092 3.366 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.717 -4.344 3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.411 -4.833 5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.068 -5.374 5.392 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.594 -7.735 5.623 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.563 -6.460 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.802 -9.934 6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.771 -8.663 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.389 -10.407 6.460 1.00 0.00 H new ATOM 443 N GLY A 30 -4.363 -4.508 2.366 1.00 0.00 N ATOM 444 CA GLY A 30 -3.230 -4.601 1.523 1.00 0.00 C ATOM 445 C GLY A 30 -1.972 -4.180 2.164 1.00 0.00 C ATOM 446 O GLY A 30 -1.959 -3.310 3.047 1.00 0.00 O ATOM 0 H GLY A 30 -4.532 -3.588 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.126 -5.631 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.397 -3.989 0.637 1.00 0.00 H new ATOM 450 N LEU A 31 -0.922 -4.808 1.743 1.00 0.00 N ATOM 451 CA LEU A 31 0.391 -4.482 2.188 1.00 0.00 C ATOM 452 C LEU A 31 1.029 -3.630 1.123 1.00 0.00 C ATOM 453 O LEU A 31 0.832 -3.871 -0.076 1.00 0.00 O ATOM 454 CB LEU A 31 1.207 -5.753 2.438 1.00 0.00 C ATOM 455 CG LEU A 31 0.649 -6.705 3.506 1.00 0.00 C ATOM 456 CD1 LEU A 31 1.508 -7.947 3.606 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.563 -6.013 4.863 1.00 0.00 C ATOM 0 H LEU A 31 -0.955 -5.574 1.070 1.00 0.00 H new ATOM 0 HA LEU A 31 0.353 -3.938 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.290 -6.300 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.217 -5.463 2.728 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.358 -6.996 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.099 -8.612 4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.519 -8.460 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.525 -7.665 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.165 -6.709 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.557 -5.688 5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.095 -5.147 4.789 1.00 0.00 H new ATOM 469 N CYS A 32 1.742 -2.645 1.533 1.00 0.00 N ATOM 470 CA CYS A 32 2.339 -1.722 0.622 1.00 0.00 C ATOM 471 C CYS A 32 3.768 -2.147 0.328 1.00 0.00 C ATOM 472 O CYS A 32 4.625 -2.186 1.232 1.00 0.00 O ATOM 473 CB CYS A 32 2.289 -0.320 1.213 1.00 0.00 C ATOM 474 SG CYS A 32 2.829 0.987 0.084 1.00 0.00 S ATOM 0 H CYS A 32 1.933 -2.450 2.516 1.00 0.00 H new ATOM 0 HA CYS A 32 1.787 -1.716 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.268 -0.109 1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 32 2.913 -0.293 2.106 1.00 0.00 H new ATOM 479 N VAL A 33 4.014 -2.504 -0.902 1.00 0.00 N ATOM 480 CA VAL A 33 5.311 -2.963 -1.320 1.00 0.00 C ATOM 481 C VAL A 33 5.991 -1.901 -2.199 1.00 0.00 C ATOM 482 O VAL A 33 5.357 -1.351 -3.126 1.00 0.00 O ATOM 483 CB VAL A 33 5.214 -4.346 -2.065 1.00 0.00 C ATOM 484 CG1 VAL A 33 4.291 -4.277 -3.275 1.00 0.00 C ATOM 485 CG2 VAL A 33 6.591 -4.863 -2.470 1.00 0.00 C ATOM 0 H VAL A 33 3.317 -2.485 -1.647 1.00 0.00 H new ATOM 0 HA VAL A 33 5.924 -3.118 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 33 4.781 -5.053 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.253 -5.253 -3.760 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.289 -3.993 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.669 -3.536 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.484 -5.820 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.067 -4.145 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.207 -4.994 -1.580 1.00 0.00 H new ATOM 495 N PRO A 34 7.257 -1.547 -1.893 1.00 0.00 N ATOM 496 CA PRO A 34 8.028 -0.592 -2.690 1.00 0.00 C ATOM 497 C PRO A 34 8.204 -1.103 -4.108 1.00 0.00 C ATOM 498 O PRO A 34 8.784 -2.181 -4.336 1.00 0.00 O ATOM 499 CB PRO A 34 9.381 -0.508 -1.969 1.00 0.00 C ATOM 500 CG PRO A 34 9.445 -1.736 -1.131 1.00 0.00 C ATOM 501 CD PRO A 34 8.033 -2.033 -0.735 1.00 0.00 C ATOM 0 HA PRO A 34 7.539 0.379 -2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.206 -0.472 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.448 0.392 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.878 -2.567 -1.688 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.072 -1.579 -0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.877 -3.098 -0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.754 -1.517 0.184 1.00 0.00 H new ATOM 509 N ASP A 35 7.683 -0.371 -5.053 1.00 0.00 N ATOM 510 CA ASP A 35 7.718 -0.816 -6.427 1.00 0.00 C ATOM 511 C ASP A 35 8.783 -0.079 -7.190 1.00 0.00 C ATOM 512 O ASP A 35 9.542 -0.670 -7.938 1.00 0.00 O ATOM 513 CB ASP A 35 6.354 -0.645 -7.098 1.00 0.00 C ATOM 514 CG ASP A 35 6.294 -1.332 -8.444 1.00 0.00 C ATOM 515 OD1 ASP A 35 6.333 -2.573 -8.483 1.00 0.00 O ATOM 516 OD2 ASP A 35 6.167 -0.661 -9.478 1.00 0.00 O ATOM 0 H ASP A 35 7.231 0.531 -4.904 1.00 0.00 H new ATOM 0 HA ASP A 35 7.960 -1.879 -6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.578 -1.050 -6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.142 0.417 -7.223 1.00 0.00 H new ATOM 521 N VAL A 36 8.848 1.206 -6.980 1.00 0.00 N ATOM 522 CA VAL A 36 9.839 2.028 -7.627 1.00 0.00 C ATOM 523 C VAL A 36 11.148 1.930 -6.858 1.00 0.00 C ATOM 524 O VAL A 36 11.274 2.575 -5.803 1.00 0.00 O ATOM 525 CB VAL A 36 9.372 3.505 -7.736 1.00 0.00 C ATOM 526 CG1 VAL A 36 10.426 4.375 -8.417 1.00 0.00 C ATOM 527 CG2 VAL A 36 8.061 3.579 -8.495 1.00 0.00 C ATOM 528 OXT VAL A 36 12.054 1.184 -7.299 1.00 0.00 O ATOM 0 H VAL A 36 8.219 1.714 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 36 9.986 1.664 -8.644 1.00 0.00 H new ATOM 0 HB VAL A 36 9.226 3.888 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.067 5.402 -8.477 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.350 4.347 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.615 3.998 -9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.740 4.618 -8.567 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.197 3.171 -9.497 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.302 3.001 -7.968 1.00 0.00 H new TER 538 VAL A 36