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+ 127:sc= 1 (180deg=-0.929) USER MOD Single : A 1 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.091 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -85:sc= 1.13 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0227) USER MOD Single : A 34 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.354 7.606 -0.552 1.00 0.00 N ATOM 2 CA THR A 1 3.539 8.116 -1.624 1.00 0.00 C ATOM 3 C THR A 1 3.511 7.084 -2.737 1.00 0.00 C ATOM 4 O THR A 1 4.138 7.264 -3.778 1.00 0.00 O ATOM 5 CB THR A 1 4.079 9.455 -2.172 1.00 0.00 C ATOM 6 OG1 THR A 1 4.377 10.342 -1.089 1.00 0.00 O ATOM 7 CG2 THR A 1 3.064 10.115 -3.096 1.00 0.00 C ATOM 0 H3 THR A 1 5.083 8.306 -0.307 1.00 0.00 H new ATOM 0 HA THR A 1 2.536 8.303 -1.240 1.00 0.00 H new ATOM 0 HB THR A 1 4.986 9.246 -2.739 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.720 11.188 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 1 3.469 11.056 -3.468 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.853 9.453 -3.936 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.143 10.309 -2.546 1.00 0.00 H new ATOM 15 N PHE A 2 2.801 5.991 -2.472 1.00 0.00 N ATOM 16 CA PHE A 2 2.665 4.879 -3.404 1.00 0.00 C ATOM 17 C PHE A 2 3.911 3.975 -3.385 1.00 0.00 C ATOM 18 O PHE A 2 4.853 4.173 -4.148 1.00 0.00 O ATOM 19 CB PHE A 2 2.366 5.384 -4.829 1.00 0.00 C ATOM 20 CG PHE A 2 2.455 4.337 -5.909 1.00 0.00 C ATOM 21 CD1 PHE A 2 1.848 3.101 -5.759 1.00 0.00 C ATOM 22 CD2 PHE A 2 3.148 4.601 -7.079 1.00 0.00 C ATOM 23 CE1 PHE A 2 1.933 2.149 -6.756 1.00 0.00 C ATOM 24 CE2 PHE A 2 3.235 3.653 -8.079 1.00 0.00 C ATOM 25 CZ PHE A 2 2.627 2.424 -7.917 1.00 0.00 C ATOM 0 H PHE A 2 2.299 5.852 -1.595 1.00 0.00 H new ATOM 0 HA PHE A 2 1.817 4.277 -3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.365 5.814 -4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.062 6.189 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.303 2.880 -4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.626 5.560 -7.211 1.00 0.00 H new ATOM 0 HE1 PHE A 2 1.456 1.189 -6.627 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.778 3.872 -8.987 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.694 1.680 -8.697 1.00 0.00 H new ATOM 35 N CYS A 3 3.889 2.972 -2.506 1.00 0.00 N ATOM 36 CA CYS A 3 4.989 2.006 -2.387 1.00 0.00 C ATOM 37 C CYS A 3 5.178 1.263 -3.694 1.00 0.00 C ATOM 38 O CYS A 3 6.217 1.369 -4.343 1.00 0.00 O ATOM 39 CB CYS A 3 4.695 0.975 -1.293 1.00 0.00 C ATOM 40 SG CYS A 3 6.179 0.234 -0.516 1.00 0.00 S ATOM 0 H CYS A 3 3.117 2.805 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 3 5.890 2.564 -2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.095 1.451 -0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.089 0.176 -1.720 1.00 0.00 H new ATOM 45 N GLY A 4 4.151 0.518 -4.065 1.00 0.00 N ATOM 46 CA GLY A 4 4.199 -0.235 -5.294 1.00 0.00 C ATOM 47 C GLY A 4 2.931 -1.025 -5.544 1.00 0.00 C ATOM 48 O GLY A 4 2.367 -0.979 -6.634 1.00 0.00 O ATOM 0 H GLY A 4 3.285 0.422 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.368 0.447 -6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.048 -0.918 -5.264 1.00 0.00 H new ATOM 52 N GLU A 5 2.482 -1.757 -4.534 1.00 0.00 N ATOM 53 CA GLU A 5 1.274 -2.565 -4.657 1.00 0.00 C ATOM 54 C GLU A 5 0.021 -1.721 -4.419 1.00 0.00 C ATOM 55 O GLU A 5 0.056 -0.490 -4.480 1.00 0.00 O ATOM 56 CB GLU A 5 1.304 -3.712 -3.651 1.00 0.00 C ATOM 57 CG GLU A 5 2.585 -4.518 -3.659 1.00 0.00 C ATOM 58 CD GLU A 5 2.637 -5.494 -2.506 1.00 0.00 C ATOM 59 OE1 GLU A 5 2.006 -6.561 -2.591 1.00 0.00 O ATOM 60 OE2 GLU A 5 3.275 -5.167 -1.485 1.00 0.00 O ATOM 0 H GLU A 5 2.934 -1.809 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 5 1.242 -2.964 -5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.151 -3.306 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.467 -4.380 -3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.667 -5.062 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.440 -3.844 -3.604 1.00 0.00 H new ATOM 67 N THR A 6 -1.082 -2.392 -4.123 1.00 0.00 N ATOM 68 CA THR A 6 -2.348 -1.729 -3.856 1.00 0.00 C ATOM 69 C THR A 6 -3.188 -2.587 -2.917 1.00 0.00 C ATOM 70 O THR A 6 -3.187 -3.812 -3.024 1.00 0.00 O ATOM 71 CB THR A 6 -3.148 -1.490 -5.145 1.00 0.00 C ATOM 72 OG1 THR A 6 -2.265 -1.310 -6.260 1.00 0.00 O ATOM 73 CG2 THR A 6 -4.038 -0.272 -5.007 1.00 0.00 C ATOM 0 H THR A 6 -1.124 -3.409 -4.061 1.00 0.00 H new ATOM 0 HA THR A 6 -2.123 -0.764 -3.401 1.00 0.00 H new ATOM 0 HB THR A 6 -3.771 -2.368 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.791 -1.160 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.595 -0.122 -5.932 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.736 -0.423 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.424 0.606 -4.807 1.00 0.00 H new ATOM 81 N CYS A 7 -3.899 -1.951 -2.006 1.00 0.00 N ATOM 82 CA CYS A 7 -4.729 -2.682 -1.062 1.00 0.00 C ATOM 83 C CYS A 7 -6.200 -2.677 -1.509 1.00 0.00 C ATOM 84 O CYS A 7 -6.877 -1.657 -1.435 1.00 0.00 O ATOM 85 CB CYS A 7 -4.575 -2.102 0.362 1.00 0.00 C ATOM 86 SG CYS A 7 -5.104 -0.362 0.555 1.00 0.00 S ATOM 0 H CYS A 7 -3.921 -0.937 -1.898 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.392 -3.718 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.150 -2.719 1.052 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.529 -2.182 0.659 1.00 0.00 H new ATOM 91 N ARG A 8 -6.678 -3.831 -1.985 1.00 0.00 N ATOM 92 CA ARG A 8 -8.068 -3.971 -2.448 1.00 0.00 C ATOM 93 C ARG A 8 -8.946 -4.422 -1.306 1.00 0.00 C ATOM 94 O ARG A 8 -8.895 -3.863 -0.215 1.00 0.00 O ATOM 95 CB ARG A 8 -8.165 -4.994 -3.576 1.00 0.00 C ATOM 96 CG ARG A 8 -7.028 -4.882 -4.533 1.00 0.00 C ATOM 97 CD ARG A 8 -7.097 -3.581 -5.316 1.00 0.00 C ATOM 98 NE ARG A 8 -6.076 -3.481 -6.357 1.00 0.00 N ATOM 99 CZ ARG A 8 -5.924 -2.405 -7.133 1.00 0.00 C ATOM 100 NH1 ARG A 8 -6.672 -1.324 -6.932 1.00 0.00 N ATOM 101 NH2 ARG A 8 -5.001 -2.396 -8.090 1.00 0.00 N ATOM 0 H ARG A 8 -6.124 -4.684 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.400 -3.000 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.185 -5.998 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.104 -4.855 -4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.085 -4.933 -3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.045 -5.726 -5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.083 -3.491 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.988 -2.743 -4.627 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.448 -4.273 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.364 -1.315 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.553 -0.504 -7.527 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.407 -3.213 -8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.887 -1.573 -8.681 1.00 0.00 H new ATOM 115 N VAL A 9 -9.726 -5.474 -1.543 1.00 0.00 N ATOM 116 CA VAL A 9 -10.573 -5.999 -0.504 1.00 0.00 C ATOM 117 C VAL A 9 -9.817 -7.046 0.310 1.00 0.00 C ATOM 118 O VAL A 9 -10.391 -7.928 0.944 1.00 0.00 O ATOM 119 CB VAL A 9 -11.894 -6.582 -1.049 1.00 0.00 C ATOM 120 CG1 VAL A 9 -12.745 -5.484 -1.667 1.00 0.00 C ATOM 121 CG2 VAL A 9 -11.623 -7.685 -2.067 1.00 0.00 C ATOM 0 H VAL A 9 -9.781 -5.966 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.845 -5.165 0.143 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.443 -7.018 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.673 -5.913 -2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.975 -4.733 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.199 -5.018 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.569 -8.080 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.050 -7.278 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.056 -8.486 -1.593 1.00 0.00 H new ATOM 131 N ILE A 10 -8.514 -6.867 0.285 1.00 0.00 N ATOM 132 CA ILE A 10 -7.531 -7.672 0.989 1.00 0.00 C ATOM 133 C ILE A 10 -6.291 -6.799 1.087 1.00 0.00 C ATOM 134 O ILE A 10 -5.294 -7.025 0.402 1.00 0.00 O ATOM 135 CB ILE A 10 -7.192 -8.997 0.256 1.00 0.00 C ATOM 136 CG1 ILE A 10 -7.159 -8.785 -1.264 1.00 0.00 C ATOM 137 CG2 ILE A 10 -8.181 -10.092 0.635 1.00 0.00 C ATOM 138 CD1 ILE A 10 -6.758 -10.019 -2.045 1.00 0.00 C ATOM 0 H ILE A 10 -8.086 -6.116 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.921 -7.971 1.962 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.199 -9.318 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.144 -8.460 -1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.462 -7.979 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.924 -11.012 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.138 -10.264 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.189 -9.784 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.758 -9.791 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.760 -10.334 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.468 -10.822 -1.846 1.00 0.00 H new ATOM 150 N PRO A 11 -6.386 -5.712 1.870 1.00 0.00 N ATOM 151 CA PRO A 11 -5.319 -4.724 1.991 1.00 0.00 C ATOM 152 C PRO A 11 -4.042 -5.205 2.645 1.00 0.00 C ATOM 153 O PRO A 11 -3.775 -6.396 2.780 1.00 0.00 O ATOM 154 CB PRO A 11 -5.932 -3.620 2.855 1.00 0.00 C ATOM 155 CG PRO A 11 -7.390 -3.823 2.762 1.00 0.00 C ATOM 156 CD PRO A 11 -7.578 -5.304 2.638 1.00 0.00 C ATOM 0 HA PRO A 11 -5.004 -4.425 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.589 -3.691 3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.648 -2.632 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.898 -3.435 3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.805 -3.301 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.620 -5.791 3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.502 -5.554 2.117 1.00 0.00 H new ATOM 164 N VAL A 12 -3.269 -4.207 3.044 1.00 0.00 N ATOM 165 CA VAL A 12 -1.991 -4.382 3.693 1.00 0.00 C ATOM 166 C VAL A 12 -1.032 -5.156 2.809 1.00 0.00 C ATOM 167 O VAL A 12 -0.686 -6.303 3.100 1.00 0.00 O ATOM 168 CB VAL A 12 -2.092 -5.085 5.065 1.00 0.00 C ATOM 169 CG1 VAL A 12 -0.804 -4.902 5.859 1.00 0.00 C ATOM 170 CG2 VAL A 12 -3.287 -4.578 5.859 1.00 0.00 C ATOM 0 H VAL A 12 -3.526 -3.228 2.919 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.611 -3.375 3.865 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.239 -6.150 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.896 -5.404 6.822 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.030 -5.331 5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.624 -3.839 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.330 -5.092 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.185 -3.506 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.203 -4.773 5.302 1.00 0.00 H new ATOM 180 N CYS A 13 -0.618 -4.511 1.730 1.00 0.00 N ATOM 181 CA CYS A 13 0.315 -5.107 0.780 1.00 0.00 C ATOM 182 C CYS A 13 1.491 -5.736 1.530 1.00 0.00 C ATOM 183 O CYS A 13 2.266 -5.042 2.183 1.00 0.00 O ATOM 184 CB CYS A 13 0.813 -4.030 -0.176 1.00 0.00 C ATOM 185 SG CYS A 13 -0.523 -3.070 -0.960 1.00 0.00 S ATOM 0 H CYS A 13 -0.915 -3.566 1.487 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.190 -5.887 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.467 -3.348 0.368 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.416 -4.498 -0.954 1.00 0.00 H new ATOM 190 N THR A 14 1.562 -7.059 1.488 1.00 0.00 N ATOM 191 CA THR A 14 2.574 -7.811 2.221 1.00 0.00 C ATOM 192 C THR A 14 3.964 -7.812 1.564 1.00 0.00 C ATOM 193 O THR A 14 4.967 -7.994 2.256 1.00 0.00 O ATOM 194 CB THR A 14 2.100 -9.261 2.410 1.00 0.00 C ATOM 195 OG1 THR A 14 0.705 -9.264 2.741 1.00 0.00 O ATOM 196 CG2 THR A 14 2.883 -9.959 3.514 1.00 0.00 C ATOM 0 H THR A 14 0.922 -7.641 0.947 1.00 0.00 H new ATOM 0 HA THR A 14 2.690 -7.303 3.178 1.00 0.00 H new ATOM 0 HB THR A 14 2.268 -9.801 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.399 -10.187 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.524 -10.982 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.942 -9.971 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.744 -9.424 4.453 1.00 0.00 H new ATOM 204 N TYR A 15 4.046 -7.609 0.256 1.00 0.00 N ATOM 205 CA TYR A 15 5.346 -7.601 -0.411 1.00 0.00 C ATOM 206 C TYR A 15 6.120 -6.345 -0.023 1.00 0.00 C ATOM 207 O TYR A 15 7.291 -6.401 0.353 1.00 0.00 O ATOM 208 CB TYR A 15 5.172 -7.681 -1.931 1.00 0.00 C ATOM 209 CG TYR A 15 6.474 -7.690 -2.705 1.00 0.00 C ATOM 210 CD1 TYR A 15 7.485 -8.592 -2.396 1.00 0.00 C ATOM 211 CD2 TYR A 15 6.689 -6.795 -3.745 1.00 0.00 C ATOM 212 CE1 TYR A 15 8.672 -8.602 -3.102 1.00 0.00 C ATOM 213 CE2 TYR A 15 7.874 -6.799 -4.457 1.00 0.00 C ATOM 214 CZ TYR A 15 8.862 -7.704 -4.131 1.00 0.00 C ATOM 215 OH TYR A 15 10.044 -7.712 -4.837 1.00 0.00 O ATOM 0 H TYR A 15 3.246 -7.450 -0.357 1.00 0.00 H new ATOM 0 HA TYR A 15 5.912 -8.475 -0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.611 -8.584 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.571 -6.834 -2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.340 -9.297 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.918 -6.084 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.448 -9.310 -2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.025 -6.097 -5.264 1.00 0.00 H new ATOM 0 HH TYR A 15 10.017 -7.018 -5.529 1.00 0.00 H new ATOM 225 N SER A 16 5.439 -5.222 -0.109 1.00 0.00 N ATOM 226 CA SER A 16 6.015 -3.930 0.231 1.00 0.00 C ATOM 227 C SER A 16 6.026 -3.725 1.747 1.00 0.00 C ATOM 228 O SER A 16 6.660 -2.798 2.259 1.00 0.00 O ATOM 229 CB SER A 16 5.229 -2.822 -0.480 1.00 0.00 C ATOM 230 OG SER A 16 3.842 -2.917 -0.211 1.00 0.00 O ATOM 0 H SER A 16 4.468 -5.175 -0.417 1.00 0.00 H new ATOM 0 HA SER A 16 7.051 -3.894 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.598 -1.848 -0.157 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.398 -2.887 -1.555 1.00 0.00 H new ATOM 0 HG SER A 16 3.430 -3.550 -0.836 1.00 0.00 H new ATOM 236 N ALA A 17 5.328 -4.610 2.461 1.00 0.00 N ATOM 237 CA ALA A 17 5.251 -4.552 3.920 1.00 0.00 C ATOM 238 C ALA A 17 6.627 -4.691 4.561 1.00 0.00 C ATOM 239 O ALA A 17 6.827 -4.267 5.695 1.00 0.00 O ATOM 240 CB ALA A 17 4.318 -5.626 4.455 1.00 0.00 C ATOM 0 H ALA A 17 4.804 -5.381 2.047 1.00 0.00 H new ATOM 0 HA ALA A 17 4.852 -3.573 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.277 -5.563 5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.319 -5.478 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.688 -6.608 4.162 1.00 0.00 H new ATOM 246 N ALA A 18 7.572 -5.281 3.828 1.00 0.00 N ATOM 247 CA ALA A 18 8.937 -5.464 4.326 1.00 0.00 C ATOM 248 C ALA A 18 9.545 -4.118 4.718 1.00 0.00 C ATOM 249 O ALA A 18 10.260 -4.006 5.711 1.00 0.00 O ATOM 250 CB ALA A 18 9.795 -6.149 3.274 1.00 0.00 C ATOM 0 H ALA A 18 7.417 -5.641 2.886 1.00 0.00 H new ATOM 0 HA ALA A 18 8.903 -6.098 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.807 -6.279 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.370 -7.124 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.824 -5.536 2.373 1.00 0.00 H new ATOM 256 N LEU A 19 9.221 -3.097 3.935 1.00 0.00 N ATOM 257 CA LEU A 19 9.686 -1.738 4.183 1.00 0.00 C ATOM 258 C LEU A 19 8.899 -1.083 5.304 1.00 0.00 C ATOM 259 O LEU A 19 9.339 -0.103 5.897 1.00 0.00 O ATOM 260 CB LEU A 19 9.551 -0.887 2.916 1.00 0.00 C ATOM 261 CG LEU A 19 10.786 -0.829 2.022 1.00 0.00 C ATOM 262 CD1 LEU A 19 11.246 -2.223 1.617 1.00 0.00 C ATOM 263 CD2 LEU A 19 10.506 0.018 0.790 1.00 0.00 C ATOM 0 H LEU A 19 8.628 -3.188 3.110 1.00 0.00 H new ATOM 0 HA LEU A 19 10.734 -1.800 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.718 -1.273 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.290 0.130 3.210 1.00 0.00 H new ATOM 0 HG LEU A 19 11.592 -0.367 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.128 -2.145 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.493 -2.798 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.448 -2.725 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.396 0.051 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.680 -0.419 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.241 1.030 1.097 1.00 0.00 H new ATOM 275 N GLY A 20 7.720 -1.616 5.554 1.00 0.00 N ATOM 276 CA GLY A 20 6.848 -1.061 6.563 1.00 0.00 C ATOM 277 C GLY A 20 5.819 -0.176 5.906 1.00 0.00 C ATOM 278 O GLY A 20 5.164 0.639 6.557 1.00 0.00 O ATOM 0 H GLY A 20 7.346 -2.433 5.071 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.356 -1.862 7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.429 -0.487 7.285 1.00 0.00 H new ATOM 282 N CYS A 21 5.698 -0.363 4.594 1.00 0.00 N ATOM 283 CA CYS A 21 4.765 0.380 3.765 1.00 0.00 C ATOM 284 C CYS A 21 3.340 0.180 4.259 1.00 0.00 C ATOM 285 O CYS A 21 2.946 -0.931 4.625 1.00 0.00 O ATOM 286 CB CYS A 21 4.935 -0.066 2.308 1.00 0.00 C ATOM 287 SG CYS A 21 6.220 0.882 1.412 1.00 0.00 S ATOM 0 H CYS A 21 6.253 -1.043 4.075 1.00 0.00 H new ATOM 0 HA CYS A 21 4.975 1.448 3.828 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.192 -1.125 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.983 0.042 1.788 1.00 0.00 H new ATOM 292 N THR A 22 2.576 1.260 4.299 1.00 0.00 N ATOM 293 CA THR A 22 1.218 1.198 4.787 1.00 0.00 C ATOM 294 C THR A 22 0.247 1.820 3.806 1.00 0.00 C ATOM 295 O THR A 22 0.498 2.876 3.227 1.00 0.00 O ATOM 296 CB THR A 22 1.085 1.892 6.153 1.00 0.00 C ATOM 297 OG1 THR A 22 1.889 3.079 6.177 1.00 0.00 O ATOM 298 CG2 THR A 22 1.507 0.963 7.281 1.00 0.00 C ATOM 0 H THR A 22 2.878 2.187 3.998 1.00 0.00 H new ATOM 0 HA THR A 22 0.970 0.143 4.901 1.00 0.00 H new ATOM 0 HB THR A 22 0.038 2.157 6.300 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.799 3.518 7.049 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.403 1.479 8.235 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.874 0.076 7.277 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.547 0.668 7.140 1.00 0.00 H new ATOM 306 N CYS A 23 -0.860 1.147 3.620 1.00 0.00 N ATOM 307 CA CYS A 23 -1.894 1.607 2.722 1.00 0.00 C ATOM 308 C CYS A 23 -2.904 2.449 3.491 1.00 0.00 C ATOM 309 O CYS A 23 -2.938 2.407 4.721 1.00 0.00 O ATOM 310 CB CYS A 23 -2.588 0.399 2.087 1.00 0.00 C ATOM 311 SG CYS A 23 -3.399 0.730 0.491 1.00 0.00 S ATOM 0 H CYS A 23 -1.072 0.265 4.086 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.452 2.219 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.851 -0.392 1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.334 0.019 2.785 1.00 0.00 H new ATOM 316 N ASP A 24 -3.736 3.180 2.768 1.00 0.00 N ATOM 317 CA ASP A 24 -4.768 4.005 3.387 1.00 0.00 C ATOM 318 C ASP A 24 -6.040 3.174 3.572 1.00 0.00 C ATOM 319 O ASP A 24 -6.674 3.216 4.625 1.00 0.00 O ATOM 320 CB ASP A 24 -5.036 5.242 2.522 1.00 0.00 C ATOM 321 CG ASP A 24 -6.195 6.083 3.021 1.00 0.00 C ATOM 322 OD1 ASP A 24 -6.189 6.481 4.208 1.00 0.00 O ATOM 323 OD2 ASP A 24 -7.112 6.356 2.218 1.00 0.00 O ATOM 0 H ASP A 24 -3.719 3.221 1.749 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.431 4.345 4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.137 5.857 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.240 4.924 1.499 1.00 0.00 H new ATOM 328 N ASP A 25 -6.363 2.396 2.535 1.00 0.00 N ATOM 329 CA ASP A 25 -7.524 1.488 2.509 1.00 0.00 C ATOM 330 C ASP A 25 -8.849 2.194 2.638 1.00 0.00 C ATOM 331 O ASP A 25 -9.158 2.874 3.614 1.00 0.00 O ATOM 332 CB ASP A 25 -7.409 0.378 3.565 1.00 0.00 C ATOM 333 CG ASP A 25 -8.567 -0.613 3.516 1.00 0.00 C ATOM 334 OD1 ASP A 25 -9.343 -0.598 2.532 1.00 0.00 O ATOM 335 OD2 ASP A 25 -8.681 -1.431 4.452 1.00 0.00 O ATOM 0 H ASP A 25 -5.818 2.376 1.673 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.503 1.034 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.472 -0.159 3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.366 0.830 4.556 1.00 0.00 H new ATOM 340 N ARG A 26 -9.642 1.965 1.621 1.00 0.00 N ATOM 341 CA ARG A 26 -10.971 2.498 1.517 1.00 0.00 C ATOM 342 C ARG A 26 -11.751 1.541 0.661 1.00 0.00 C ATOM 343 O ARG A 26 -12.433 1.949 -0.278 1.00 0.00 O ATOM 344 CB ARG A 26 -10.931 3.873 0.860 1.00 0.00 C ATOM 345 CG ARG A 26 -10.328 4.983 1.709 1.00 0.00 C ATOM 346 CD ARG A 26 -11.140 5.257 2.971 1.00 0.00 C ATOM 347 NE ARG A 26 -10.615 6.411 3.707 1.00 0.00 N ATOM 348 CZ ARG A 26 -9.423 6.431 4.312 1.00 0.00 C ATOM 349 NH1 ARG A 26 -8.736 5.313 4.481 1.00 0.00 N ATOM 350 NH2 ARG A 26 -8.935 7.567 4.792 1.00 0.00 N ATOM 0 H ARG A 26 -9.371 1.388 0.825 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.429 2.611 2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.363 3.798 -0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.948 4.157 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.310 4.711 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.264 5.896 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.181 5.438 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.124 4.377 3.613 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.194 7.249 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.115 4.426 4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.827 5.338 4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.470 8.431 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.025 7.577 5.253 1.00 0.00 H new ATOM 364 N SER A 27 -11.545 0.251 0.956 1.00 0.00 N ATOM 365 CA SER A 27 -12.123 -0.853 0.197 1.00 0.00 C ATOM 366 C SER A 27 -11.230 -1.085 -1.018 1.00 0.00 C ATOM 367 O SER A 27 -11.198 -2.167 -1.610 1.00 0.00 O ATOM 368 CB SER A 27 -13.572 -0.569 -0.204 1.00 0.00 C ATOM 369 OG SER A 27 -14.351 -0.243 0.936 1.00 0.00 O ATOM 0 H SER A 27 -10.965 -0.053 1.738 1.00 0.00 H new ATOM 0 HA SER A 27 -12.162 -1.753 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.603 0.253 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.995 -1.441 -0.703 1.00 0.00 H new ATOM 0 HG SER A 27 -15.274 -0.063 0.661 1.00 0.00 H new ATOM 375 N ASP A 28 -10.475 -0.034 -1.326 1.00 0.00 N ATOM 376 CA ASP A 28 -9.506 0.001 -2.400 1.00 0.00 C ATOM 377 C ASP A 28 -8.846 1.372 -2.406 1.00 0.00 C ATOM 378 O ASP A 28 -9.477 2.370 -2.049 1.00 0.00 O ATOM 379 CB ASP A 28 -10.136 -0.303 -3.766 1.00 0.00 C ATOM 380 CG ASP A 28 -9.106 -0.309 -4.881 1.00 0.00 C ATOM 381 OD1 ASP A 28 -8.044 -0.944 -4.705 1.00 0.00 O ATOM 382 OD2 ASP A 28 -9.357 0.295 -5.939 1.00 0.00 O ATOM 0 H ASP A 28 -10.529 0.845 -0.811 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.764 -0.778 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.634 -1.272 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.902 0.441 -3.985 1.00 0.00 H new ATOM 387 N GLY A 29 -7.578 1.420 -2.776 1.00 0.00 N ATOM 388 CA GLY A 29 -6.862 2.679 -2.791 1.00 0.00 C ATOM 389 C GLY A 29 -5.497 2.554 -3.415 1.00 0.00 C ATOM 390 O GLY A 29 -5.375 2.426 -4.631 1.00 0.00 O ATOM 0 H GLY A 29 -7.030 0.610 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.444 3.419 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.760 3.048 -1.771 1.00 0.00 H new ATOM 394 N LEU A 30 -4.464 2.603 -2.578 1.00 0.00 N ATOM 395 CA LEU A 30 -3.089 2.506 -3.049 1.00 0.00 C ATOM 396 C LEU A 30 -2.128 2.436 -1.865 1.00 0.00 C ATOM 397 O LEU A 30 -2.158 3.298 -0.984 1.00 0.00 O ATOM 398 CB LEU A 30 -2.763 3.724 -3.915 1.00 0.00 C ATOM 399 CG LEU A 30 -1.477 3.623 -4.730 1.00 0.00 C ATOM 400 CD1 LEU A 30 -1.537 2.428 -5.669 1.00 0.00 C ATOM 401 CD2 LEU A 30 -1.254 4.904 -5.515 1.00 0.00 C ATOM 0 H LEU A 30 -4.556 2.710 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.976 1.598 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.594 3.895 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.696 4.600 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.640 3.482 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.612 2.370 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.661 1.514 -5.088 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.380 2.542 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.334 4.821 -6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.093 5.067 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.175 5.744 -4.825 1.00 0.00 H new ATOM 413 N CYS A 31 -1.277 1.412 -1.840 1.00 0.00 N ATOM 414 CA CYS A 31 -0.315 1.250 -0.754 1.00 0.00 C ATOM 415 C CYS A 31 0.734 2.346 -0.812 1.00 0.00 C ATOM 416 O CYS A 31 1.212 2.704 -1.887 1.00 0.00 O ATOM 417 CB CYS A 31 0.321 -0.143 -0.787 1.00 0.00 C ATOM 418 SG CYS A 31 -0.628 -1.385 0.156 1.00 0.00 S ATOM 0 H CYS A 31 -1.235 0.686 -2.555 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.843 1.340 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.409 -0.471 -1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.332 -0.084 -0.384 1.00 0.00 H new ATOM 423 N LYS A 32 1.071 2.907 0.339 1.00 0.00 N ATOM 424 CA LYS A 32 2.032 3.986 0.397 1.00 0.00 C ATOM 425 C LYS A 32 3.411 3.478 0.783 1.00 0.00 C ATOM 426 O LYS A 32 3.533 2.428 1.399 1.00 0.00 O ATOM 427 CB LYS A 32 1.518 5.066 1.340 1.00 0.00 C ATOM 428 CG LYS A 32 1.091 6.325 0.605 1.00 0.00 C ATOM 429 CD LYS A 32 0.061 6.001 -0.468 1.00 0.00 C ATOM 430 CE LYS A 32 -0.012 7.074 -1.537 1.00 0.00 C ATOM 431 NZ LYS A 32 -0.347 8.415 -0.973 1.00 0.00 N ATOM 0 H LYS A 32 0.690 2.629 1.244 1.00 0.00 H new ATOM 0 HA LYS A 32 2.144 4.427 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.673 4.676 1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.297 5.316 2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.673 7.041 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.961 6.798 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.310 5.046 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.919 5.885 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.944 7.130 -2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.763 6.796 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.486 9.093 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.220 8.347 -0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.431 8.740 -0.364 1.00 0.00 H new ATOM 445 N ARG A 33 4.441 4.207 0.356 1.00 0.00 N ATOM 446 CA ARG A 33 5.832 3.815 0.597 1.00 0.00 C ATOM 447 C ARG A 33 6.286 4.156 2.026 1.00 0.00 C ATOM 448 O ARG A 33 5.472 4.177 2.943 1.00 0.00 O ATOM 449 CB ARG A 33 6.723 4.495 -0.457 1.00 0.00 C ATOM 450 CG ARG A 33 8.080 3.834 -0.665 1.00 0.00 C ATOM 451 CD ARG A 33 8.619 4.096 -2.063 1.00 0.00 C ATOM 452 NE ARG A 33 8.626 5.519 -2.408 1.00 0.00 N ATOM 453 CZ ARG A 33 8.125 6.006 -3.545 1.00 0.00 C ATOM 454 NH1 ARG A 33 7.531 5.195 -4.415 1.00 0.00 N ATOM 455 NH2 ARG A 33 8.211 7.300 -3.808 1.00 0.00 N ATOM 0 H ARG A 33 4.338 5.079 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 33 5.919 2.732 0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.191 4.509 -1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.881 5.533 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.786 4.210 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.991 2.760 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.633 3.703 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.014 3.553 -2.789 1.00 0.00 H new ATOM 0 HE ARG A 33 9.036 6.174 -1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.457 4.198 -4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.149 5.570 -5.283 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.661 7.927 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.827 7.670 -4.678 1.00 0.00 H new ATOM 469 N ASN A 34 7.583 4.424 2.187 1.00 0.00 N ATOM 470 CA ASN A 34 8.201 4.771 3.471 1.00 0.00 C ATOM 471 C ASN A 34 9.328 5.751 3.215 1.00 0.00 C ATOM 472 O ASN A 34 9.940 5.716 2.152 1.00 0.00 O ATOM 473 CB ASN A 34 8.752 3.534 4.160 1.00 0.00 C ATOM 474 CG ASN A 34 7.785 2.861 5.109 1.00 0.00 C ATOM 475 OD1 ASN A 34 6.616 2.680 4.806 1.00 0.00 O ATOM 476 ND2 ASN A 34 8.286 2.457 6.262 1.00 0.00 N ATOM 0 H ASN A 34 8.248 4.406 1.414 1.00 0.00 H new ATOM 0 HA ASN A 34 7.447 5.215 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.055 2.814 3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.650 3.811 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.691 1.975 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.268 2.627 6.479 1.00 0.00 H new ATOM 483 N GLY A 35 9.557 6.665 4.151 1.00 0.00 N ATOM 484 CA GLY A 35 10.570 7.693 3.955 1.00 0.00 C ATOM 485 C GLY A 35 9.955 8.830 3.174 1.00 0.00 C ATOM 486 O GLY A 35 10.074 10.002 3.525 1.00 0.00 O ATOM 0 H GLY A 35 9.062 6.715 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.938 8.050 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.426 7.284 3.418 1.00 0.00 H new ATOM 490 N ASP A 36 9.227 8.426 2.149 1.00 0.00 N ATOM 491 CA ASP A 36 8.472 9.309 1.284 1.00 0.00 C ATOM 492 C ASP A 36 7.172 8.579 0.884 1.00 0.00 C ATOM 493 O ASP A 36 6.849 8.454 -0.296 1.00 0.00 O ATOM 494 CB ASP A 36 9.315 9.693 0.052 1.00 0.00 C ATOM 495 CG ASP A 36 9.486 8.566 -0.962 1.00 0.00 C ATOM 496 OD1 ASP A 36 9.693 7.398 -0.558 1.00 0.00 O ATOM 497 OD2 ASP A 36 9.414 8.852 -2.175 1.00 0.00 O ATOM 0 H ASP A 36 9.143 7.443 1.889 1.00 0.00 H new ATOM 0 HA ASP A 36 8.220 10.237 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.848 10.545 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.300 10.019 0.386 1.00 0.00 H new ATOM 502 N PRO A 37 6.415 8.040 1.886 1.00 0.00 N ATOM 503 CA PRO A 37 5.171 7.268 1.660 1.00 0.00 C ATOM 504 C PRO A 37 4.182 7.935 0.720 1.00 0.00 C ATOM 505 O PRO A 37 3.304 8.700 1.120 1.00 0.00 O ATOM 506 CB PRO A 37 4.630 7.103 3.083 1.00 0.00 C ATOM 507 CG PRO A 37 5.898 6.947 3.834 1.00 0.00 C ATOM 508 CD PRO A 37 6.709 8.095 3.337 1.00 0.00 C ATOM 0 HA PRO A 37 5.354 6.324 1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.056 7.970 3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.979 6.234 3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.741 6.997 4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.378 5.991 3.626 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.403 9.041 3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.771 7.972 3.548 1.00 0.00 H new TER 516 PRO A 37