USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 250 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 ALA N :NH3+ 173:sc= 0 (180deg=-0.0488) USER MOD Single : A 4 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.262) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.38 K(o=-0.38,f=-4.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.123) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.193 0.453 -1.253 1.00 12.11 N ATOM 2 CA ALA A 1 1.413 -0.725 -0.422 1.00 52.14 C ATOM 3 C ALA A 1 1.495 -1.988 -1.273 1.00 25.12 C ATOM 4 O ALA A 1 0.920 -3.018 -0.926 1.00 21.21 O ATOM 5 CB ALA A 1 0.307 -0.855 0.613 1.00 2.33 C ATOM 0 H1 ALA A 1 1.023 1.280 -0.645 1.00 12.11 H new ATOM 0 H2 ALA A 1 2.033 0.624 -1.843 1.00 12.11 H new ATOM 0 H3 ALA A 1 0.366 0.297 -1.865 1.00 12.11 H new ATOM 0 HA ALA A 1 2.365 -0.603 0.094 1.00 52.14 H new ATOM 0 HB1 ALA A 1 0.484 -1.739 1.226 1.00 2.33 H new ATOM 0 HB2 ALA A 1 0.297 0.031 1.248 1.00 2.33 H new ATOM 0 HB3 ALA A 1 -0.654 -0.951 0.108 1.00 2.33 H new ATOM 13 N GLU A 2 2.215 -1.900 -2.387 1.00 50.00 N ATOM 14 CA GLU A 2 2.370 -3.037 -3.287 1.00 54.11 C ATOM 15 C GLU A 2 3.845 -3.306 -3.574 1.00 62.42 C ATOM 16 O GLU A 2 4.655 -2.381 -3.639 1.00 2.33 O ATOM 17 CB GLU A 2 1.622 -2.785 -4.597 1.00 32.40 C ATOM 18 CG GLU A 2 0.123 -3.012 -4.495 1.00 63.31 C ATOM 19 CD GLU A 2 -0.658 -2.225 -5.529 1.00 50.54 C ATOM 20 OE1 GLU A 2 -0.767 -0.990 -5.376 1.00 14.01 O1- ATOM 21 OE2 GLU A 2 -1.160 -2.842 -6.491 1.00 43.45 O ATOM 0 H GLU A 2 2.700 -1.054 -2.688 1.00 50.00 H new ATOM 0 HA GLU A 2 1.946 -3.915 -2.799 1.00 54.11 H new ATOM 0 HB2 GLU A 2 1.805 -1.760 -4.919 1.00 32.40 H new ATOM 0 HB3 GLU A 2 2.028 -3.438 -5.369 1.00 32.40 H new ATOM 0 HG2 GLU A 2 -0.089 -4.074 -4.616 1.00 63.31 H new ATOM 0 HG3 GLU A 2 -0.216 -2.731 -3.498 1.00 63.31 H new ATOM 28 N CYS A 3 4.186 -4.578 -3.746 1.00 61.14 N ATOM 29 CA CYS A 3 5.562 -4.972 -4.026 1.00 54.52 C ATOM 30 C CYS A 3 5.649 -5.753 -5.333 1.00 4.43 C ATOM 31 O CYS A 3 4.637 -6.205 -5.868 1.00 45.13 O ATOM 32 CB CYS A 3 6.117 -5.815 -2.876 1.00 25.33 C ATOM 33 SG CYS A 3 5.167 -7.332 -2.541 1.00 61.41 S ATOM 0 H CYS A 3 3.527 -5.355 -3.696 1.00 61.14 H new ATOM 0 HA CYS A 3 6.160 -4.066 -4.125 1.00 54.52 H new ATOM 0 HB2 CYS A 3 7.148 -6.087 -3.104 1.00 25.33 H new ATOM 0 HB3 CYS A 3 6.140 -5.207 -1.972 1.00 25.33 H new ATOM 38 N LYS A 4 6.866 -5.909 -5.843 1.00 51.35 N ATOM 39 CA LYS A 4 7.088 -6.637 -7.086 1.00 63.21 C ATOM 40 C LYS A 4 6.569 -8.067 -6.979 1.00 14.51 C ATOM 41 O LYS A 4 6.146 -8.506 -5.911 1.00 75.33 O ATOM 42 CB LYS A 4 8.578 -6.648 -7.435 1.00 74.44 C ATOM 43 CG LYS A 4 8.951 -5.680 -8.544 1.00 52.44 C ATOM 44 CD LYS A 4 8.562 -4.254 -8.192 1.00 1.14 C ATOM 45 CE LYS A 4 9.251 -3.247 -9.101 1.00 12.25 C ATOM 46 NZ LYS A 4 9.488 -1.948 -8.411 1.00 43.31 N1+ ATOM 0 H LYS A 4 7.715 -5.540 -5.414 1.00 51.35 H new ATOM 0 HA LYS A 4 6.539 -6.129 -7.879 1.00 63.21 H new ATOM 0 HB2 LYS A 4 9.153 -6.403 -6.542 1.00 74.44 H new ATOM 0 HB3 LYS A 4 8.865 -7.656 -7.733 1.00 74.44 H new ATOM 0 HG2 LYS A 4 10.024 -5.731 -8.727 1.00 52.44 H new ATOM 0 HG3 LYS A 4 8.455 -5.976 -9.469 1.00 52.44 H new ATOM 0 HD2 LYS A 4 7.481 -4.140 -8.274 1.00 1.14 H new ATOM 0 HD3 LYS A 4 8.826 -4.049 -7.154 1.00 1.14 H new ATOM 0 HE2 LYS A 4 10.202 -3.656 -9.441 1.00 12.25 H new ATOM 0 HE3 LYS A 4 8.640 -3.081 -9.988 1.00 12.25 H new ATOM 0 HZ1 LYS A 4 9.008 -1.186 -8.931 1.00 43.31 H new ATOM 0 HZ2 LYS A 4 9.112 -1.996 -7.442 1.00 43.31 H new ATOM 0 HZ3 LYS A 4 10.509 -1.754 -8.377 1.00 43.31 H new ATOM 60 N GLY A 5 6.607 -8.791 -8.094 1.00 61.21 N ATOM 61 CA GLY A 5 6.138 -10.164 -8.104 1.00 24.52 C ATOM 62 C GLY A 5 7.256 -11.156 -8.358 1.00 12.03 C ATOM 63 O GLY A 5 8.273 -11.146 -7.665 1.00 44.11 O ATOM 0 H GLY A 5 6.954 -8.451 -8.991 1.00 61.21 H new ATOM 0 HA2 GLY A 5 5.666 -10.390 -7.148 1.00 24.52 H new ATOM 0 HA3 GLY A 5 5.373 -10.278 -8.872 1.00 24.52 H new ATOM 67 N PHE A 6 7.066 -12.017 -9.352 1.00 74.41 N ATOM 68 CA PHE A 6 8.066 -13.023 -9.694 1.00 14.12 C ATOM 69 C PHE A 6 8.621 -12.784 -11.094 1.00 20.32 C ATOM 70 O PHE A 6 9.801 -13.015 -11.354 1.00 30.10 O ATOM 71 CB PHE A 6 7.461 -14.425 -9.603 1.00 62.42 C ATOM 72 CG PHE A 6 8.353 -15.500 -10.156 1.00 64.14 C ATOM 73 CD1 PHE A 6 9.669 -15.609 -9.737 1.00 22.52 C ATOM 74 CD2 PHE A 6 7.875 -16.400 -11.096 1.00 43.12 C ATOM 75 CE1 PHE A 6 10.493 -16.596 -10.243 1.00 21.53 C ATOM 76 CE2 PHE A 6 8.695 -17.390 -11.604 1.00 4.40 C ATOM 77 CZ PHE A 6 10.005 -17.487 -11.179 1.00 31.41 C ATOM 0 H PHE A 6 6.229 -12.039 -9.935 1.00 74.41 H new ATOM 0 HA PHE A 6 8.886 -12.943 -8.980 1.00 14.12 H new ATOM 0 HB2 PHE A 6 7.239 -14.649 -8.560 1.00 62.42 H new ATOM 0 HB3 PHE A 6 6.513 -14.439 -10.141 1.00 62.42 H new ATOM 0 HD1 PHE A 6 10.055 -14.914 -9.006 1.00 22.52 H new ATOM 0 HD2 PHE A 6 6.852 -16.327 -11.435 1.00 43.12 H new ATOM 0 HE1 PHE A 6 11.517 -16.671 -9.907 1.00 21.53 H new ATOM 0 HE2 PHE A 6 8.311 -18.088 -12.333 1.00 4.40 H new ATOM 0 HZ PHE A 6 10.647 -18.258 -11.578 1.00 31.41 H new ATOM 87 N TRP A 7 7.760 -12.321 -11.994 1.00 11.32 N ATOM 88 CA TRP A 7 8.162 -12.053 -13.370 1.00 4.43 C ATOM 89 C TRP A 7 8.399 -10.562 -13.585 1.00 5.24 C ATOM 90 O TRP A 7 8.864 -10.144 -14.646 1.00 41.31 O ATOM 91 CB TRP A 7 7.096 -12.558 -14.344 1.00 72.42 C ATOM 92 CG TRP A 7 5.759 -11.910 -14.150 1.00 54.44 C ATOM 93 CD1 TRP A 7 4.791 -12.278 -13.259 1.00 11.44 C ATOM 94 CD2 TRP A 7 5.243 -10.782 -14.865 1.00 32.22 C ATOM 95 NE1 TRP A 7 3.703 -11.447 -13.378 1.00 40.53 N ATOM 96 CE2 TRP A 7 3.956 -10.521 -14.355 1.00 53.24 C ATOM 97 CE3 TRP A 7 5.742 -9.968 -15.885 1.00 11.41 C ATOM 98 CZ2 TRP A 7 3.165 -9.479 -14.833 1.00 5.53 C ATOM 99 CZ3 TRP A 7 4.955 -8.935 -16.358 1.00 41.22 C ATOM 100 CH2 TRP A 7 3.679 -8.697 -15.831 1.00 75.31 C ATOM 0 H TRP A 7 6.779 -12.124 -11.795 1.00 11.32 H new ATOM 0 HA TRP A 7 9.095 -12.583 -13.559 1.00 4.43 H new ATOM 0 HB2 TRP A 7 7.433 -12.380 -15.365 1.00 72.42 H new ATOM 0 HB3 TRP A 7 6.989 -13.636 -14.227 1.00 72.42 H new ATOM 0 HD1 TRP A 7 4.869 -13.101 -12.564 1.00 11.44 H new ATOM 0 HE1 TRP A 7 2.846 -11.510 -12.828 1.00 40.53 H new ATOM 0 HE3 TRP A 7 6.725 -10.143 -16.296 1.00 11.41 H new ATOM 0 HZ2 TRP A 7 2.180 -9.295 -14.430 1.00 5.53 H new ATOM 0 HZ3 TRP A 7 5.330 -8.300 -17.147 1.00 41.22 H new ATOM 0 HH2 TRP A 7 3.089 -7.880 -16.220 1.00 75.31 H new ATOM 111 N LYS A 8 8.075 -9.763 -12.575 1.00 51.55 N ATOM 112 CA LYS A 8 8.254 -8.317 -12.653 1.00 1.40 C ATOM 113 C LYS A 8 9.713 -7.964 -12.918 1.00 33.31 C ATOM 114 O LYS A 8 10.585 -8.832 -12.901 1.00 34.14 O ATOM 115 CB LYS A 8 7.784 -7.654 -11.356 1.00 74.13 C ATOM 116 CG LYS A 8 6.273 -7.564 -11.232 1.00 62.42 C ATOM 117 CD LYS A 8 5.673 -6.705 -12.331 1.00 54.31 C ATOM 118 CE LYS A 8 4.188 -6.467 -12.105 1.00 64.31 C ATOM 119 NZ LYS A 8 3.610 -5.556 -13.133 1.00 3.33 N1+ ATOM 0 H LYS A 8 7.686 -10.092 -11.691 1.00 51.55 H new ATOM 0 HA LYS A 8 7.652 -7.945 -13.482 1.00 1.40 H new ATOM 0 HB2 LYS A 8 8.177 -8.215 -10.508 1.00 74.13 H new ATOM 0 HB3 LYS A 8 8.205 -6.650 -11.297 1.00 74.13 H new ATOM 0 HG2 LYS A 8 5.843 -8.565 -11.276 1.00 62.42 H new ATOM 0 HG3 LYS A 8 6.011 -7.147 -10.259 1.00 62.42 H new ATOM 0 HD2 LYS A 8 6.194 -5.748 -12.372 1.00 54.31 H new ATOM 0 HD3 LYS A 8 5.822 -7.190 -13.296 1.00 54.31 H new ATOM 0 HE2 LYS A 8 3.660 -7.420 -12.126 1.00 64.31 H new ATOM 0 HE3 LYS A 8 4.035 -6.040 -11.114 1.00 64.31 H new ATOM 0 HZ1 LYS A 8 2.596 -5.419 -12.945 1.00 3.33 H new ATOM 0 HZ2 LYS A 8 4.097 -4.638 -13.096 1.00 3.33 H new ATOM 0 HZ3 LYS A 8 3.733 -5.975 -14.077 1.00 3.33 H new ATOM 133 N SER A 9 9.972 -6.683 -13.162 1.00 2.23 N ATOM 134 CA SER A 9 11.326 -6.214 -13.432 1.00 24.10 C ATOM 135 C SER A 9 11.860 -5.393 -12.264 1.00 72.15 C ATOM 136 O SER A 9 11.319 -4.337 -11.932 1.00 12.02 O ATOM 137 CB SER A 9 11.352 -5.377 -14.713 1.00 32.24 C ATOM 138 OG SER A 9 10.723 -6.062 -15.782 1.00 32.31 O ATOM 0 H SER A 9 9.261 -5.951 -13.178 1.00 2.23 H new ATOM 0 HA SER A 9 11.967 -7.086 -13.563 1.00 24.10 H new ATOM 0 HB2 SER A 9 10.849 -4.426 -14.540 1.00 32.24 H new ATOM 0 HB3 SER A 9 12.383 -5.148 -14.981 1.00 32.24 H new ATOM 0 HG SER A 9 10.751 -5.506 -16.588 1.00 32.31 H new ATOM 144 N CYS A 10 12.927 -5.885 -11.642 1.00 31.30 N ATOM 145 CA CYS A 10 13.536 -5.198 -10.509 1.00 0.04 C ATOM 146 C CYS A 10 15.027 -4.975 -10.747 1.00 71.24 C ATOM 147 O CYS A 10 15.617 -5.562 -11.653 1.00 63.40 O ATOM 148 CB CYS A 10 13.330 -6.006 -9.226 1.00 71.41 C ATOM 149 SG CYS A 10 14.341 -7.518 -9.126 1.00 71.51 S ATOM 0 H CYS A 10 13.387 -6.757 -11.904 1.00 31.30 H new ATOM 0 HA CYS A 10 13.053 -4.227 -10.402 1.00 0.04 H new ATOM 0 HB2 CYS A 10 13.559 -5.372 -8.370 1.00 71.41 H new ATOM 0 HB3 CYS A 10 12.278 -6.280 -9.147 1.00 71.41 H new ATOM 154 N VAL A 11 15.630 -4.120 -9.926 1.00 11.35 N ATOM 155 CA VAL A 11 17.051 -3.818 -10.046 1.00 21.30 C ATOM 156 C VAL A 11 17.824 -4.326 -8.834 1.00 12.42 C ATOM 157 O VAL A 11 17.277 -4.501 -7.746 1.00 64.05 O ATOM 158 CB VAL A 11 17.293 -2.304 -10.198 1.00 2.54 C ATOM 159 CG1 VAL A 11 16.970 -1.852 -11.613 1.00 1.43 C ATOM 160 CG2 VAL A 11 16.470 -1.529 -9.180 1.00 21.03 C ATOM 0 H VAL A 11 15.156 -3.625 -9.171 1.00 11.35 H new ATOM 0 HA VAL A 11 17.408 -4.327 -10.941 1.00 21.30 H new ATOM 0 HB VAL A 11 18.347 -2.100 -10.009 1.00 2.54 H new ATOM 0 HG11 VAL A 11 17.147 -0.780 -11.702 1.00 1.43 H new ATOM 0 HG12 VAL A 11 17.607 -2.385 -12.319 1.00 1.43 H new ATOM 0 HG13 VAL A 11 15.924 -2.067 -11.834 1.00 1.43 H new ATOM 0 HG21 VAL A 11 16.653 -0.461 -9.301 1.00 21.03 H new ATOM 0 HG22 VAL A 11 15.411 -1.736 -9.335 1.00 21.03 H new ATOM 0 HG23 VAL A 11 16.756 -1.834 -8.173 1.00 21.03 H new ATOM 170 N PRO A 12 19.130 -4.568 -9.024 1.00 12.43 N ATOM 171 CA PRO A 12 20.008 -5.058 -7.958 1.00 32.44 C ATOM 172 C PRO A 12 20.259 -4.005 -6.884 1.00 74.42 C ATOM 173 O PRO A 12 20.547 -2.849 -7.190 1.00 32.53 O ATOM 174 CB PRO A 12 21.308 -5.392 -8.694 1.00 14.43 C ATOM 175 CG PRO A 12 21.295 -4.520 -9.901 1.00 24.34 C ATOM 176 CD PRO A 12 19.850 -4.381 -10.295 1.00 32.14 C ATOM 0 HA PRO A 12 19.572 -5.905 -7.429 1.00 32.44 H new ATOM 0 HB2 PRO A 12 22.179 -5.191 -8.070 1.00 14.43 H new ATOM 0 HB3 PRO A 12 21.348 -6.446 -8.968 1.00 14.43 H new ATOM 0 HG2 PRO A 12 21.736 -3.547 -9.684 1.00 24.34 H new ATOM 0 HG3 PRO A 12 21.879 -4.962 -10.708 1.00 24.34 H new ATOM 0 HD2 PRO A 12 19.645 -3.404 -10.733 1.00 32.14 H new ATOM 0 HD3 PRO A 12 19.561 -5.128 -11.034 1.00 32.14 H new ATOM 184 N GLY A 13 20.149 -4.413 -5.623 1.00 4.33 N ATOM 185 CA GLY A 13 20.368 -3.493 -4.523 1.00 32.52 C ATOM 186 C GLY A 13 19.072 -2.947 -3.958 1.00 64.23 C ATOM 187 O GLY A 13 19.019 -2.526 -2.801 1.00 14.33 O ATOM 0 H GLY A 13 19.912 -5.365 -5.344 1.00 4.33 H new ATOM 0 HA2 GLY A 13 20.920 -4.001 -3.732 1.00 32.52 H new ATOM 0 HA3 GLY A 13 20.990 -2.665 -4.864 1.00 32.52 H new ATOM 191 N LYS A 14 18.023 -2.952 -4.774 1.00 0.04 N ATOM 192 CA LYS A 14 16.721 -2.454 -4.350 1.00 54.41 C ATOM 193 C LYS A 14 15.930 -3.542 -3.631 1.00 4.00 C ATOM 194 O LYS A 14 15.414 -3.327 -2.535 1.00 23.42 O ATOM 195 CB LYS A 14 15.928 -1.944 -5.556 1.00 54.03 C ATOM 196 CG LYS A 14 16.313 -0.540 -5.987 1.00 64.22 C ATOM 197 CD LYS A 14 15.148 0.181 -6.644 1.00 44.52 C ATOM 198 CE LYS A 14 15.570 1.534 -7.198 1.00 40.23 C ATOM 199 NZ LYS A 14 14.440 2.237 -7.865 1.00 23.42 N1+ ATOM 0 H LYS A 14 18.050 -3.296 -5.734 1.00 0.04 H new ATOM 0 HA LYS A 14 16.884 -1.629 -3.656 1.00 54.41 H new ATOM 0 HB2 LYS A 14 16.077 -2.626 -6.393 1.00 54.03 H new ATOM 0 HB3 LYS A 14 14.865 -1.963 -5.316 1.00 54.03 H new ATOM 0 HG2 LYS A 14 16.651 0.028 -5.120 1.00 64.22 H new ATOM 0 HG3 LYS A 14 17.151 -0.589 -6.683 1.00 64.22 H new ATOM 0 HD2 LYS A 14 14.746 -0.434 -7.449 1.00 44.52 H new ATOM 0 HD3 LYS A 14 14.347 0.318 -5.917 1.00 44.52 H new ATOM 0 HE2 LYS A 14 15.956 2.154 -6.388 1.00 40.23 H new ATOM 0 HE3 LYS A 14 16.384 1.397 -7.910 1.00 40.23 H new ATOM 0 HZ1 LYS A 14 14.768 3.154 -8.229 1.00 23.42 H new ATOM 0 HZ2 LYS A 14 14.088 1.658 -8.654 1.00 23.42 H new ATOM 0 HZ3 LYS A 14 13.673 2.391 -7.179 1.00 23.42 H new ATOM 213 N ASN A 15 15.838 -4.711 -4.256 1.00 73.20 N ATOM 214 CA ASN A 15 15.110 -5.834 -3.676 1.00 14.34 C ATOM 215 C ASN A 15 13.632 -5.498 -3.514 1.00 64.14 C ATOM 216 O ASN A 15 13.039 -5.749 -2.465 1.00 51.44 O ATOM 217 CB ASN A 15 15.711 -6.211 -2.320 1.00 54.45 C ATOM 218 CG ASN A 15 17.217 -6.372 -2.378 1.00 41.41 C ATOM 219 OD1 ASN A 15 17.950 -5.395 -2.541 1.00 64.21 O ATOM 220 ND2 ASN A 15 17.686 -7.606 -2.247 1.00 32.42 N ATOM 0 H ASN A 15 16.259 -4.906 -5.165 1.00 73.20 H new ATOM 0 HA ASN A 15 15.199 -6.683 -4.354 1.00 14.34 H new ATOM 0 HB2 ASN A 15 15.459 -5.444 -1.588 1.00 54.45 H new ATOM 0 HB3 ASN A 15 15.262 -7.142 -1.973 1.00 54.45 H new ATOM 0 HD21 ASN A 15 18.691 -7.776 -2.279 1.00 32.42 H new ATOM 0 HD22 ASN A 15 17.041 -8.385 -2.114 1.00 32.42 H new ATOM 227 N GLU A 16 13.041 -4.928 -4.561 1.00 32.33 N ATOM 228 CA GLU A 16 11.631 -4.557 -4.534 1.00 13.41 C ATOM 229 C GLU A 16 10.748 -5.790 -4.363 1.00 64.50 C ATOM 230 O GLU A 16 9.631 -5.701 -3.852 1.00 74.33 O ATOM 231 CB GLU A 16 11.251 -3.818 -5.819 1.00 71.25 C ATOM 232 CG GLU A 16 12.067 -2.559 -6.060 1.00 14.43 C ATOM 233 CD GLU A 16 11.449 -1.331 -5.421 1.00 4.31 C ATOM 234 OE1 GLU A 16 10.409 -1.474 -4.743 1.00 72.13 O1- ATOM 235 OE2 GLU A 16 12.004 -0.227 -5.598 1.00 53.21 O ATOM 0 H GLU A 16 13.517 -4.714 -5.437 1.00 32.33 H new ATOM 0 HA GLU A 16 11.471 -3.896 -3.682 1.00 13.41 H new ATOM 0 HB2 GLU A 16 11.378 -4.491 -6.667 1.00 71.25 H new ATOM 0 HB3 GLU A 16 10.194 -3.554 -5.777 1.00 71.25 H new ATOM 0 HG2 GLU A 16 13.073 -2.702 -5.665 1.00 14.43 H new ATOM 0 HG3 GLU A 16 12.166 -2.395 -7.133 1.00 14.43 H new ATOM 242 N CYS A 17 11.256 -6.939 -4.796 1.00 11.40 N ATOM 243 CA CYS A 17 10.515 -8.191 -4.693 1.00 22.31 C ATOM 244 C CYS A 17 10.018 -8.412 -3.267 1.00 74.41 C ATOM 245 O CYS A 17 10.547 -7.836 -2.316 1.00 72.35 O ATOM 246 CB CYS A 17 11.394 -9.365 -5.127 1.00 4.44 C ATOM 247 SG CYS A 17 11.939 -9.284 -6.863 1.00 32.42 S ATOM 0 H CYS A 17 12.178 -7.029 -5.222 1.00 11.40 H new ATOM 0 HA CYS A 17 9.651 -8.129 -5.355 1.00 22.31 H new ATOM 0 HB2 CYS A 17 12.273 -9.405 -4.483 1.00 4.44 H new ATOM 0 HB3 CYS A 17 10.844 -10.293 -4.973 1.00 4.44 H new ATOM 252 N CYS A 18 8.998 -9.252 -3.127 1.00 55.14 N ATOM 253 CA CYS A 18 8.427 -9.551 -1.818 1.00 24.25 C ATOM 254 C CYS A 18 9.358 -10.453 -1.013 1.00 71.35 C ATOM 255 O CYS A 18 10.269 -11.074 -1.563 1.00 42.53 O ATOM 256 CB CYS A 18 7.061 -10.220 -1.975 1.00 74.34 C ATOM 257 SG CYS A 18 5.828 -9.198 -2.844 1.00 70.23 S ATOM 0 H CYS A 18 8.550 -9.738 -3.904 1.00 55.14 H new ATOM 0 HA CYS A 18 8.304 -8.611 -1.279 1.00 24.25 H new ATOM 0 HB2 CYS A 18 7.187 -11.157 -2.517 1.00 74.34 H new ATOM 0 HB3 CYS A 18 6.676 -10.473 -0.987 1.00 74.34 H new ATOM 262 N SER A 19 9.123 -10.522 0.294 1.00 22.25 N ATOM 263 CA SER A 19 9.941 -11.345 1.176 1.00 43.45 C ATOM 264 C SER A 19 10.014 -12.782 0.667 1.00 70.33 C ATOM 265 O SER A 19 9.006 -13.359 0.259 1.00 11.24 O ATOM 266 CB SER A 19 9.377 -11.324 2.597 1.00 33.12 C ATOM 267 OG SER A 19 9.994 -12.311 3.406 1.00 24.23 O ATOM 0 H SER A 19 8.372 -10.017 0.765 1.00 22.25 H new ATOM 0 HA SER A 19 10.949 -10.930 1.187 1.00 43.45 H new ATOM 0 HB2 SER A 19 9.531 -10.339 3.038 1.00 33.12 H new ATOM 0 HB3 SER A 19 8.301 -11.495 2.567 1.00 33.12 H new ATOM 0 HG SER A 19 9.617 -12.276 4.310 1.00 24.23 H new ATOM 273 N GLY A 20 11.214 -13.353 0.693 1.00 54.32 N ATOM 274 CA GLY A 20 11.396 -14.717 0.232 1.00 63.31 C ATOM 275 C GLY A 20 11.865 -14.784 -1.207 1.00 44.33 C ATOM 276 O GLY A 20 12.406 -15.801 -1.645 1.00 41.02 O ATOM 0 H GLY A 20 12.063 -12.896 1.025 1.00 54.32 H new ATOM 0 HA2 GLY A 20 12.122 -15.220 0.871 1.00 63.31 H new ATOM 0 HA3 GLY A 20 10.455 -15.259 0.330 1.00 63.31 H new ATOM 280 N TYR A 21 11.655 -13.701 -1.948 1.00 22.43 N ATOM 281 CA TYR A 21 12.056 -13.643 -3.348 1.00 33.31 C ATOM 282 C TYR A 21 13.409 -12.953 -3.499 1.00 73.24 C ATOM 283 O TYR A 21 13.748 -12.052 -2.732 1.00 45.31 O ATOM 284 CB TYR A 21 11.001 -12.905 -4.173 1.00 52.44 C ATOM 285 CG TYR A 21 9.682 -13.640 -4.266 1.00 32.41 C ATOM 286 CD1 TYR A 21 8.857 -13.770 -3.156 1.00 11.45 C ATOM 287 CD2 TYR A 21 9.264 -14.206 -5.464 1.00 74.25 C ATOM 288 CE1 TYR A 21 7.652 -14.442 -3.236 1.00 3.33 C ATOM 289 CE2 TYR A 21 8.060 -14.879 -5.554 1.00 54.23 C ATOM 290 CZ TYR A 21 7.258 -14.994 -4.437 1.00 12.33 C ATOM 291 OH TYR A 21 6.059 -15.663 -4.522 1.00 53.32 O ATOM 0 H TYR A 21 11.209 -12.851 -1.602 1.00 22.43 H new ATOM 0 HA TYR A 21 12.146 -14.665 -3.716 1.00 33.31 H new ATOM 0 HB2 TYR A 21 10.830 -11.923 -3.733 1.00 52.44 H new ATOM 0 HB3 TYR A 21 11.388 -12.741 -5.179 1.00 52.44 H new ATOM 0 HD1 TYR A 21 9.163 -13.338 -2.214 1.00 11.45 H new ATOM 0 HD2 TYR A 21 9.890 -14.119 -6.340 1.00 74.25 H new ATOM 0 HE1 TYR A 21 7.023 -14.534 -2.363 1.00 3.33 H new ATOM 0 HE2 TYR A 21 7.749 -15.312 -6.493 1.00 54.23 H new ATOM 0 HH TYR A 21 5.931 -15.990 -5.437 1.00 53.32 H new ATOM 301 N ALA A 22 14.178 -13.383 -4.495 1.00 51.33 N ATOM 302 CA ALA A 22 15.491 -12.806 -4.749 1.00 3.12 C ATOM 303 C ALA A 22 15.492 -11.989 -6.036 1.00 1.44 C ATOM 304 O ALA A 22 14.566 -12.080 -6.842 1.00 35.51 O ATOM 305 CB ALA A 22 16.544 -13.903 -4.817 1.00 41.01 C ATOM 0 H ALA A 22 13.913 -14.129 -5.138 1.00 51.33 H new ATOM 0 HA ALA A 22 15.732 -12.135 -3.924 1.00 3.12 H new ATOM 0 HB1 ALA A 22 17.521 -13.458 -5.007 1.00 41.01 H new ATOM 0 HB2 ALA A 22 16.569 -14.442 -3.870 1.00 41.01 H new ATOM 0 HB3 ALA A 22 16.297 -14.595 -5.622 1.00 41.01 H new ATOM 311 N CYS A 23 16.536 -11.189 -6.223 1.00 21.01 N ATOM 312 CA CYS A 23 16.658 -10.354 -7.412 1.00 23.22 C ATOM 313 C CYS A 23 17.867 -10.767 -8.247 1.00 64.21 C ATOM 314 O CYS A 23 18.948 -11.013 -7.712 1.00 75.42 O ATOM 315 CB CYS A 23 16.778 -8.881 -7.015 1.00 63.31 C ATOM 316 SG CYS A 23 15.248 -7.921 -7.254 1.00 53.32 S ATOM 0 H CYS A 23 17.311 -11.101 -5.565 1.00 21.01 H new ATOM 0 HA CYS A 23 15.760 -10.490 -8.014 1.00 23.22 H new ATOM 0 HB2 CYS A 23 17.072 -8.821 -5.967 1.00 63.31 H new ATOM 0 HB3 CYS A 23 17.577 -8.422 -7.598 1.00 63.31 H new ATOM 321 N SER A 24 17.675 -10.842 -9.559 1.00 62.22 N ATOM 322 CA SER A 24 18.748 -11.228 -10.468 1.00 42.32 C ATOM 323 C SER A 24 19.066 -10.101 -11.445 1.00 4.53 C ATOM 324 O SER A 24 18.258 -9.773 -12.315 1.00 35.33 O ATOM 325 CB SER A 24 18.362 -12.493 -11.238 1.00 23.52 C ATOM 326 OG SER A 24 19.355 -13.494 -11.103 1.00 60.13 O ATOM 0 H SER A 24 16.786 -10.641 -10.017 1.00 62.22 H new ATOM 0 HA SER A 24 19.639 -11.430 -9.873 1.00 42.32 H new ATOM 0 HB2 SER A 24 17.408 -12.870 -10.869 1.00 23.52 H new ATOM 0 HB3 SER A 24 18.224 -12.253 -12.292 1.00 23.52 H new ATOM 0 HG SER A 24 19.084 -14.293 -11.602 1.00 60.13 H new ATOM 332 N SER A 25 20.246 -9.511 -11.296 1.00 53.21 N ATOM 333 CA SER A 25 20.671 -8.417 -12.163 1.00 62.51 C ATOM 334 C SER A 25 20.983 -8.925 -13.566 1.00 52.10 C ATOM 335 O SER A 25 20.956 -8.165 -14.533 1.00 0.11 O ATOM 336 CB SER A 25 21.899 -7.720 -11.575 1.00 3.21 C ATOM 337 OG SER A 25 22.732 -8.642 -10.892 1.00 24.10 O ATOM 0 H SER A 25 20.927 -9.772 -10.582 1.00 53.21 H new ATOM 0 HA SER A 25 19.853 -7.700 -12.230 1.00 62.51 H new ATOM 0 HB2 SER A 25 22.463 -7.237 -12.373 1.00 3.21 H new ATOM 0 HB3 SER A 25 21.581 -6.935 -10.889 1.00 3.21 H new ATOM 0 HG SER A 25 23.510 -8.172 -10.527 1.00 24.10 H new ATOM 343 N ARG A 26 21.279 -10.217 -13.668 1.00 62.31 N ATOM 344 CA ARG A 26 21.598 -10.829 -14.953 1.00 24.03 C ATOM 345 C ARG A 26 20.519 -10.517 -15.986 1.00 71.54 C ATOM 346 O ARG A 26 20.820 -10.115 -17.110 1.00 33.12 O ATOM 347 CB ARG A 26 21.748 -12.343 -14.797 1.00 32.33 C ATOM 348 CG ARG A 26 22.264 -13.035 -16.048 1.00 34.31 C ATOM 349 CD ARG A 26 23.631 -13.660 -15.815 1.00 74.15 C ATOM 350 NE ARG A 26 23.623 -14.589 -14.687 1.00 34.12 N ATOM 351 CZ ARG A 26 24.720 -14.975 -14.045 1.00 62.23 C ATOM 352 NH1 ARG A 26 25.907 -14.514 -14.417 1.00 4.20 N1+ ATOM 353 NH2 ARG A 26 24.631 -15.822 -13.028 1.00 25.53 N ATOM 0 H ARG A 26 21.305 -10.860 -12.877 1.00 62.31 H new ATOM 0 HA ARG A 26 22.542 -10.412 -15.302 1.00 24.03 H new ATOM 0 HB2 ARG A 26 22.429 -12.549 -13.971 1.00 32.33 H new ATOM 0 HB3 ARG A 26 20.782 -12.770 -14.528 1.00 32.33 H new ATOM 0 HG2 ARG A 26 21.558 -13.806 -16.356 1.00 34.31 H new ATOM 0 HG3 ARG A 26 22.326 -12.315 -16.864 1.00 34.31 H new ATOM 0 HD2 ARG A 26 23.947 -14.186 -16.716 1.00 74.15 H new ATOM 0 HD3 ARG A 26 24.363 -12.873 -15.632 1.00 74.15 H new ATOM 0 HE ARG A 26 22.726 -14.961 -14.376 1.00 34.12 H new ATOM 0 HH11 ARG A 26 25.979 -13.862 -15.198 1.00 4.20 H new ATOM 0 HH12 ARG A 26 26.748 -14.812 -13.922 1.00 4.20 H new ATOM 0 HH21 ARG A 26 23.720 -16.177 -12.738 1.00 25.53 H new ATOM 0 HH22 ARG A 26 25.474 -16.118 -12.536 1.00 25.53 H new ATOM 367 N ASP A 27 19.263 -10.706 -15.598 1.00 53.53 N ATOM 368 CA ASP A 27 18.139 -10.445 -16.489 1.00 64.32 C ATOM 369 C ASP A 27 17.272 -9.309 -15.954 1.00 51.53 C ATOM 370 O ASP A 27 16.291 -8.913 -16.582 1.00 70.30 O ATOM 371 CB ASP A 27 17.294 -11.708 -16.663 1.00 24.43 C ATOM 372 CG ASP A 27 17.419 -12.301 -18.053 1.00 71.42 C ATOM 373 OD1 ASP A 27 18.504 -12.173 -18.657 1.00 61.54 O ATOM 374 OD2 ASP A 27 16.431 -12.892 -18.537 1.00 34.43 O1- ATOM 0 H ASP A 27 18.997 -11.039 -14.671 1.00 53.53 H new ATOM 0 HA ASP A 27 18.539 -10.147 -17.458 1.00 64.32 H new ATOM 0 HB2 ASP A 27 17.599 -12.450 -15.926 1.00 24.43 H new ATOM 0 HB3 ASP A 27 16.248 -11.472 -16.464 1.00 24.43 H new ATOM 379 N LYS A 28 17.643 -8.789 -14.788 1.00 24.22 N ATOM 380 CA LYS A 28 16.901 -7.699 -14.167 1.00 42.13 C ATOM 381 C LYS A 28 15.449 -8.098 -13.922 1.00 72.43 C ATOM 382 O LYS A 28 14.524 -7.397 -14.333 1.00 12.12 O ATOM 383 CB LYS A 28 16.955 -6.450 -15.049 1.00 42.20 C ATOM 384 CG LYS A 28 18.240 -5.653 -14.897 1.00 61.11 C ATOM 385 CD LYS A 28 17.985 -4.159 -15.012 1.00 63.24 C ATOM 386 CE LYS A 28 18.239 -3.658 -16.426 1.00 34.52 C ATOM 387 NZ LYS A 28 17.244 -4.202 -17.393 1.00 25.10 N1+ ATOM 0 H LYS A 28 18.453 -9.105 -14.255 1.00 24.22 H new ATOM 0 HA LYS A 28 17.366 -7.479 -13.206 1.00 42.13 H new ATOM 0 HB2 LYS A 28 16.843 -6.747 -16.092 1.00 42.20 H new ATOM 0 HB3 LYS A 28 16.108 -5.808 -14.807 1.00 42.20 H new ATOM 0 HG2 LYS A 28 18.693 -5.873 -13.930 1.00 61.11 H new ATOM 0 HG3 LYS A 28 18.953 -5.961 -15.661 1.00 61.11 H new ATOM 0 HD2 LYS A 28 16.956 -3.941 -14.727 1.00 63.24 H new ATOM 0 HD3 LYS A 28 18.629 -3.624 -14.314 1.00 63.24 H new ATOM 0 HE2 LYS A 28 18.200 -2.569 -16.438 1.00 34.52 H new ATOM 0 HE3 LYS A 28 19.243 -3.944 -16.738 1.00 34.52 H new ATOM 0 HZ1 LYS A 28 17.342 -3.712 -18.305 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 17.411 -5.220 -17.527 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 16.283 -4.055 -17.023 1.00 25.10 H new ATOM 401 N TRP A 29 15.257 -9.227 -13.249 1.00 31.41 N ATOM 402 CA TRP A 29 13.916 -9.718 -12.948 1.00 42.43 C ATOM 403 C TRP A 29 13.835 -10.236 -11.516 1.00 31.51 C ATOM 404 O TRP A 29 14.791 -10.120 -10.749 1.00 3.13 O ATOM 405 CB TRP A 29 13.525 -10.826 -13.927 1.00 32.13 C ATOM 406 CG TRP A 29 14.537 -11.930 -14.009 1.00 73.24 C ATOM 407 CD1 TRP A 29 15.530 -12.200 -13.111 1.00 40.14 C ATOM 408 CD2 TRP A 29 14.653 -12.909 -15.047 1.00 44.13 C ATOM 409 NE1 TRP A 29 16.257 -13.288 -13.529 1.00 31.43 N ATOM 410 CE2 TRP A 29 15.739 -13.742 -14.713 1.00 72.32 C ATOM 411 CE3 TRP A 29 13.946 -13.165 -16.225 1.00 30.31 C ATOM 412 CZ2 TRP A 29 16.132 -14.811 -15.516 1.00 63.02 C ATOM 413 CZ3 TRP A 29 14.337 -14.225 -17.019 1.00 21.22 C ATOM 414 CH2 TRP A 29 15.421 -15.037 -16.662 1.00 64.04 C ATOM 0 H TRP A 29 16.011 -9.819 -12.902 1.00 31.41 H new ATOM 0 HA TRP A 29 13.219 -8.887 -13.054 1.00 42.43 H new ATOM 0 HB2 TRP A 29 12.565 -11.245 -13.626 1.00 32.13 H new ATOM 0 HB3 TRP A 29 13.388 -10.394 -14.918 1.00 32.13 H new ATOM 0 HD1 TRP A 29 15.716 -11.641 -12.206 1.00 40.14 H new ATOM 0 HE1 TRP A 29 17.054 -13.692 -13.037 1.00 31.43 H new ATOM 0 HE3 TRP A 29 13.109 -12.545 -16.509 1.00 30.31 H new ATOM 0 HZ2 TRP A 29 16.968 -15.438 -15.243 1.00 63.02 H new ATOM 0 HZ3 TRP A 29 13.797 -14.432 -17.931 1.00 21.22 H new ATOM 0 HH2 TRP A 29 15.701 -15.858 -17.305 1.00 64.04 H new ATOM 425 N CYS A 30 12.688 -10.807 -11.162 1.00 44.54 N ATOM 426 CA CYS A 30 12.482 -11.342 -9.822 1.00 1.53 C ATOM 427 C CYS A 30 12.779 -12.839 -9.783 1.00 31.32 C ATOM 428 O CYS A 30 12.911 -13.485 -10.822 1.00 74.25 O ATOM 429 CB CYS A 30 11.046 -11.085 -9.363 1.00 64.32 C ATOM 430 SG CYS A 30 10.810 -9.485 -8.522 1.00 55.01 S ATOM 0 H CYS A 30 11.887 -10.911 -11.785 1.00 44.54 H new ATOM 0 HA CYS A 30 13.169 -10.834 -9.145 1.00 1.53 H new ATOM 0 HB2 CYS A 30 10.385 -11.129 -10.229 1.00 64.32 H new ATOM 0 HB3 CYS A 30 10.742 -11.886 -8.689 1.00 64.32 H new ATOM 435 N LYS A 31 12.884 -13.384 -8.575 1.00 1.34 N ATOM 436 CA LYS A 31 13.164 -14.803 -8.398 1.00 53.31 C ATOM 437 C LYS A 31 12.388 -15.367 -7.211 1.00 30.41 C ATOM 438 O LYS A 31 12.125 -14.662 -6.238 1.00 2.12 O ATOM 439 CB LYS A 31 14.664 -15.027 -8.192 1.00 64.22 C ATOM 440 CG LYS A 31 15.531 -14.318 -9.218 1.00 62.34 C ATOM 441 CD LYS A 31 15.400 -14.954 -10.592 1.00 21.52 C ATOM 442 CE LYS A 31 16.611 -15.810 -10.929 1.00 41.12 C ATOM 443 NZ LYS A 31 16.373 -17.250 -10.633 1.00 11.43 N1+ ATOM 0 H LYS A 31 12.779 -12.863 -7.704 1.00 1.34 H new ATOM 0 HA LYS A 31 12.845 -15.325 -9.300 1.00 53.31 H new ATOM 0 HB2 LYS A 31 14.941 -14.683 -7.195 1.00 64.22 H new ATOM 0 HB3 LYS A 31 14.872 -16.096 -8.230 1.00 64.22 H new ATOM 0 HG2 LYS A 31 15.246 -13.267 -9.273 1.00 62.34 H new ATOM 0 HG3 LYS A 31 16.573 -14.349 -8.899 1.00 62.34 H new ATOM 0 HD2 LYS A 31 14.499 -15.567 -10.626 1.00 21.52 H new ATOM 0 HD3 LYS A 31 15.283 -14.175 -11.345 1.00 21.52 H new ATOM 0 HE2 LYS A 31 16.856 -15.692 -11.984 1.00 41.12 H new ATOM 0 HE3 LYS A 31 17.473 -15.460 -10.360 1.00 41.12 H new ATOM 0 HZ1 LYS A 31 17.222 -17.799 -10.876 1.00 11.43 H new ATOM 0 HZ2 LYS A 31 16.164 -17.366 -9.621 1.00 11.43 H new ATOM 0 HZ3 LYS A 31 15.567 -17.591 -11.195 1.00 11.43 H new ATOM 457 N VAL A 32 12.025 -16.643 -7.301 1.00 34.04 N ATOM 458 CA VAL A 32 11.281 -17.302 -6.233 1.00 65.25 C ATOM 459 C VAL A 32 11.927 -18.629 -5.852 1.00 2.32 C ATOM 460 O VAL A 32 12.293 -19.426 -6.718 1.00 22.20 O ATOM 461 CB VAL A 32 9.817 -17.554 -6.642 1.00 73.43 C ATOM 462 CG1 VAL A 32 9.749 -18.531 -7.806 1.00 11.10 C ATOM 463 CG2 VAL A 32 9.015 -18.066 -5.456 1.00 60.31 C ATOM 0 H VAL A 32 12.234 -17.240 -8.101 1.00 34.04 H new ATOM 0 HA VAL A 32 11.300 -16.632 -5.373 1.00 65.25 H new ATOM 0 HB VAL A 32 9.379 -16.610 -6.966 1.00 73.43 H new ATOM 0 HG11 VAL A 32 8.707 -18.697 -8.081 1.00 11.10 H new ATOM 0 HG12 VAL A 32 10.288 -18.119 -8.659 1.00 11.10 H new ATOM 0 HG13 VAL A 32 10.202 -19.478 -7.513 1.00 11.10 H new ATOM 0 HG21 VAL A 32 7.983 -18.239 -5.762 1.00 60.31 H new ATOM 0 HG22 VAL A 32 9.449 -19.000 -5.099 1.00 60.31 H new ATOM 0 HG23 VAL A 32 9.037 -17.327 -4.655 1.00 60.31 H new ATOM 473 N LEU A 33 12.063 -18.862 -4.551 1.00 35.50 N ATOM 474 CA LEU A 33 12.665 -20.095 -4.054 1.00 75.13 C ATOM 475 C LEU A 33 11.709 -21.272 -4.220 1.00 13.13 C ATOM 476 O LEU A 33 10.537 -21.191 -3.853 1.00 43.41 O ATOM 477 CB LEU A 33 13.051 -19.939 -2.582 1.00 4.12 C ATOM 478 CG LEU A 33 14.059 -18.835 -2.265 1.00 42.40 C ATOM 479 CD1 LEU A 33 13.941 -18.404 -0.811 1.00 61.02 C ATOM 480 CD2 LEU A 33 15.475 -19.300 -2.571 1.00 62.44 C ATOM 0 H LEU A 33 11.765 -18.214 -3.822 1.00 35.50 H new ATOM 0 HA LEU A 33 13.563 -20.295 -4.639 1.00 75.13 H new ATOM 0 HB2 LEU A 33 12.144 -19.751 -2.008 1.00 4.12 H new ATOM 0 HB3 LEU A 33 13.459 -20.887 -2.232 1.00 4.12 H new ATOM 0 HG LEU A 33 13.836 -17.975 -2.897 1.00 42.40 H new ATOM 0 HD11 LEU A 33 14.667 -17.617 -0.605 1.00 61.02 H new ATOM 0 HD12 LEU A 33 12.935 -18.028 -0.623 1.00 61.02 H new ATOM 0 HD13 LEU A 33 14.136 -19.257 -0.162 1.00 61.02 H new ATOM 0 HD21 LEU A 33 16.179 -18.501 -2.339 1.00 62.44 H new ATOM 0 HD22 LEU A 33 15.709 -20.176 -1.966 1.00 62.44 H new ATOM 0 HD23 LEU A 33 15.553 -19.557 -3.627 1.00 62.44 H new ATOM 492 N LEU A 34 12.219 -22.367 -4.772 1.00 44.45 N ATOM 493 CA LEU A 34 11.412 -23.563 -4.985 1.00 44.30 C ATOM 494 C LEU A 34 11.221 -24.330 -3.680 1.00 65.04 C ATOM 495 O LEU A 34 10.735 -25.461 -3.677 1.00 62.12 O ATOM 496 CB LEU A 34 12.070 -24.468 -6.029 1.00 14.40 C ATOM 497 CG LEU A 34 11.663 -24.222 -7.481 1.00 53.30 C ATOM 498 CD1 LEU A 34 12.569 -24.994 -8.428 1.00 21.23 C ATOM 499 CD2 LEU A 34 10.207 -24.608 -7.701 1.00 1.13 C ATOM 0 H LEU A 34 13.188 -22.451 -5.080 1.00 44.45 H new ATOM 0 HA LEU A 34 10.433 -23.250 -5.349 1.00 44.30 H new ATOM 0 HB2 LEU A 34 13.151 -24.353 -5.951 1.00 14.40 H new ATOM 0 HB3 LEU A 34 11.841 -25.504 -5.779 1.00 14.40 H new ATOM 0 HG LEU A 34 11.772 -23.158 -7.692 1.00 53.30 H new ATOM 0 HD11 LEU A 34 12.264 -24.806 -9.457 1.00 21.23 H new ATOM 0 HD12 LEU A 34 13.600 -24.669 -8.290 1.00 21.23 H new ATOM 0 HD13 LEU A 34 12.493 -26.060 -8.216 1.00 21.23 H new ATOM 0 HD21 LEU A 34 9.935 -24.426 -8.741 1.00 1.13 H new ATOM 0 HD22 LEU A 34 10.072 -25.665 -7.470 1.00 1.13 H new ATOM 0 HD23 LEU A 34 9.570 -24.010 -7.049 1.00 1.13 H new TER 511 LEU A 34