USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 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+ -114:sc= 0.101 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.145 X(o=-0.15,f=-0.24) 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 USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= -0.247 (180deg=-1.55!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.795 1.716 -2.997 1.00 12.11 N ATOM 2 CA ALA A 1 1.654 0.719 -4.050 1.00 52.14 C ATOM 3 C ALA A 1 2.064 -0.664 -3.554 1.00 25.12 C ATOM 4 O ALA A 1 2.603 -0.805 -2.457 1.00 21.21 O ATOM 5 CB ALA A 1 2.481 1.112 -5.265 1.00 2.33 C ATOM 0 H1 ALA A 1 0.856 2.080 -2.735 1.00 12.11 H new ATOM 0 H2 ALA A 1 2.242 1.281 -2.165 1.00 12.11 H new ATOM 0 H3 ALA A 1 2.387 2.500 -3.338 1.00 12.11 H new ATOM 0 HA ALA A 1 0.604 0.677 -4.338 1.00 52.14 H new ATOM 0 HB1 ALA A 1 2.366 0.358 -6.043 1.00 2.33 H new ATOM 0 HB2 ALA A 1 2.140 2.076 -5.641 1.00 2.33 H new ATOM 0 HB3 ALA A 1 3.531 1.184 -4.982 1.00 2.33 H new ATOM 13 N GLU A 2 1.804 -1.682 -4.370 1.00 50.00 N ATOM 14 CA GLU A 2 2.144 -3.053 -4.012 1.00 54.11 C ATOM 15 C GLU A 2 3.617 -3.339 -4.295 1.00 62.42 C ATOM 16 O GLU A 2 4.324 -2.507 -4.863 1.00 2.33 O ATOM 17 CB GLU A 2 1.264 -4.039 -4.783 1.00 32.40 C ATOM 18 CG GLU A 2 -0.081 -4.297 -4.127 1.00 63.31 C ATOM 19 CD GLU A 2 0.013 -5.264 -2.963 1.00 50.54 C ATOM 20 OE1 GLU A 2 0.160 -6.479 -3.211 1.00 14.01 O1- ATOM 21 OE2 GLU A 2 -0.060 -4.805 -1.803 1.00 43.45 O ATOM 0 H GLU A 2 1.359 -1.582 -5.283 1.00 50.00 H new ATOM 0 HA GLU A 2 1.966 -3.178 -2.944 1.00 54.11 H new ATOM 0 HB2 GLU A 2 1.100 -3.655 -5.790 1.00 32.40 H new ATOM 0 HB3 GLU A 2 1.796 -4.985 -4.885 1.00 32.40 H new ATOM 0 HG2 GLU A 2 -0.497 -3.352 -3.777 1.00 63.31 H new ATOM 0 HG3 GLU A 2 -0.773 -4.694 -4.870 1.00 63.31 H new ATOM 28 N CYS A 3 4.071 -4.523 -3.894 1.00 61.14 N ATOM 29 CA CYS A 3 5.457 -4.921 -4.103 1.00 54.52 C ATOM 30 C CYS A 3 5.601 -5.743 -5.380 1.00 4.43 C ATOM 31 O CYS A 3 4.615 -6.229 -5.934 1.00 45.13 O ATOM 32 CB CYS A 3 5.964 -5.725 -2.905 1.00 25.33 C ATOM 33 SG CYS A 3 5.016 -7.245 -2.575 1.00 61.41 S ATOM 0 H CYS A 3 3.498 -5.223 -3.422 1.00 61.14 H new ATOM 0 HA CYS A 3 6.057 -4.017 -4.205 1.00 54.52 H new ATOM 0 HB2 CYS A 3 7.008 -5.990 -3.074 1.00 25.33 H new ATOM 0 HB3 CYS A 3 5.936 -5.092 -2.018 1.00 25.33 H new ATOM 38 N LYS A 4 6.838 -5.895 -5.843 1.00 51.35 N ATOM 39 CA LYS A 4 7.113 -6.659 -7.053 1.00 63.21 C ATOM 40 C LYS A 4 6.617 -8.095 -6.916 1.00 14.51 C ATOM 41 O LYS A 4 6.170 -8.508 -5.846 1.00 75.33 O ATOM 42 CB LYS A 4 8.613 -6.654 -7.354 1.00 74.44 C ATOM 43 CG LYS A 4 9.013 -5.666 -8.437 1.00 52.44 C ATOM 44 CD LYS A 4 8.570 -4.254 -8.094 1.00 1.14 C ATOM 45 CE LYS A 4 9.160 -3.235 -9.057 1.00 12.25 C ATOM 46 NZ LYS A 4 8.423 -1.942 -9.017 1.00 43.31 N1+ ATOM 0 H LYS A 4 7.666 -5.499 -5.398 1.00 51.35 H new ATOM 0 HA LYS A 4 6.581 -6.187 -7.879 1.00 63.21 H new ATOM 0 HB2 LYS A 4 9.158 -6.418 -6.440 1.00 74.44 H new ATOM 0 HB3 LYS A 4 8.918 -7.656 -7.657 1.00 74.44 H new ATOM 0 HG2 LYS A 4 10.095 -5.687 -8.569 1.00 52.44 H new ATOM 0 HG3 LYS A 4 8.570 -5.967 -9.387 1.00 52.44 H new ATOM 0 HD2 LYS A 4 7.482 -4.196 -8.123 1.00 1.14 H new ATOM 0 HD3 LYS A 4 8.875 -4.013 -7.076 1.00 1.14 H new ATOM 0 HE2 LYS A 4 10.207 -3.064 -8.808 1.00 12.25 H new ATOM 0 HE3 LYS A 4 9.135 -3.636 -10.070 1.00 12.25 H new ATOM 0 HZ1 LYS A 4 8.856 -1.275 -9.687 1.00 43.31 H new ATOM 0 HZ2 LYS A 4 7.429 -2.101 -9.280 1.00 43.31 H new ATOM 0 HZ3 LYS A 4 8.468 -1.546 -8.056 1.00 43.31 H new ATOM 60 N GLY A 5 6.700 -8.853 -8.004 1.00 61.21 N ATOM 61 CA GLY A 5 6.257 -10.235 -7.982 1.00 24.52 C ATOM 62 C GLY A 5 7.380 -11.208 -8.279 1.00 12.03 C ATOM 63 O GLY A 5 8.430 -11.172 -7.636 1.00 44.11 O ATOM 0 H GLY A 5 7.066 -8.535 -8.901 1.00 61.21 H new ATOM 0 HA2 GLY A 5 5.833 -10.462 -7.004 1.00 24.52 H new ATOM 0 HA3 GLY A 5 5.460 -10.370 -8.714 1.00 24.52 H new ATOM 67 N PHE A 6 7.161 -12.084 -9.253 1.00 74.41 N ATOM 68 CA PHE A 6 8.162 -13.074 -9.632 1.00 14.12 C ATOM 69 C PHE A 6 8.672 -12.819 -11.048 1.00 20.32 C ATOM 70 O PHE A 6 9.855 -13.006 -11.336 1.00 30.10 O ATOM 71 CB PHE A 6 7.577 -14.485 -9.536 1.00 62.42 C ATOM 72 CG PHE A 6 8.467 -15.544 -10.121 1.00 64.14 C ATOM 73 CD1 PHE A 6 9.809 -15.604 -9.782 1.00 22.52 C ATOM 74 CD2 PHE A 6 7.961 -16.480 -11.009 1.00 43.12 C ATOM 75 CE1 PHE A 6 10.631 -16.577 -10.319 1.00 21.53 C ATOM 76 CE2 PHE A 6 8.778 -17.456 -11.549 1.00 4.40 C ATOM 77 CZ PHE A 6 10.114 -17.505 -11.202 1.00 31.41 C ATOM 0 H PHE A 6 6.298 -12.129 -9.795 1.00 74.41 H new ATOM 0 HA PHE A 6 9.001 -12.987 -8.941 1.00 14.12 H new ATOM 0 HB2 PHE A 6 7.386 -14.720 -8.489 1.00 62.42 H new ATOM 0 HB3 PHE A 6 6.615 -14.506 -10.048 1.00 62.42 H new ATOM 0 HD1 PHE A 6 10.218 -14.882 -9.090 1.00 22.52 H new ATOM 0 HD2 PHE A 6 6.917 -16.447 -11.282 1.00 43.12 H new ATOM 0 HE1 PHE A 6 11.676 -16.612 -10.049 1.00 21.53 H new ATOM 0 HE2 PHE A 6 8.372 -18.179 -12.241 1.00 4.40 H new ATOM 0 HZ PHE A 6 10.754 -18.268 -11.621 1.00 31.41 H new ATOM 87 N TRP A 7 7.772 -12.391 -11.926 1.00 11.32 N ATOM 88 CA TRP A 7 8.130 -12.110 -13.311 1.00 4.43 C ATOM 89 C TRP A 7 8.298 -10.611 -13.537 1.00 5.24 C ATOM 90 O TRP A 7 8.545 -10.165 -14.658 1.00 41.31 O ATOM 91 CB TRP A 7 7.065 -12.665 -14.257 1.00 72.42 C ATOM 92 CG TRP A 7 5.692 -12.133 -13.982 1.00 54.44 C ATOM 93 CD1 TRP A 7 4.751 -12.680 -13.156 1.00 11.44 C ATOM 94 CD2 TRP A 7 5.102 -10.951 -14.536 1.00 32.22 C ATOM 95 NE1 TRP A 7 3.614 -11.909 -13.164 1.00 40.53 N ATOM 96 CE2 TRP A 7 3.805 -10.842 -14.001 1.00 53.24 C ATOM 97 CE3 TRP A 7 5.547 -9.973 -15.430 1.00 11.41 C ATOM 98 CZ2 TRP A 7 2.948 -9.796 -14.332 1.00 5.53 C ATOM 99 CZ3 TRP A 7 4.696 -8.935 -15.758 1.00 41.22 C ATOM 100 CH2 TRP A 7 3.409 -8.852 -15.210 1.00 75.31 C ATOM 0 H TRP A 7 6.790 -12.231 -11.703 1.00 11.32 H new ATOM 0 HA TRP A 7 9.082 -12.598 -13.520 1.00 4.43 H new ATOM 0 HB2 TRP A 7 7.341 -12.425 -15.284 1.00 72.42 H new ATOM 0 HB3 TRP A 7 7.049 -13.752 -14.177 1.00 72.42 H new ATOM 0 HD1 TRP A 7 4.882 -13.585 -12.581 1.00 11.44 H new ATOM 0 HE1 TRP A 7 2.765 -12.100 -12.632 1.00 40.53 H new ATOM 0 HE3 TRP A 7 6.538 -10.028 -15.857 1.00 11.41 H new ATOM 0 HZ2 TRP A 7 1.955 -9.732 -13.911 1.00 5.53 H new ATOM 0 HZ3 TRP A 7 5.029 -8.174 -16.449 1.00 41.22 H new ATOM 0 HH2 TRP A 7 2.768 -8.027 -15.486 1.00 75.31 H new ATOM 111 N LYS A 8 8.162 -9.837 -12.466 1.00 51.55 N ATOM 112 CA LYS A 8 8.299 -8.388 -12.546 1.00 1.40 C ATOM 113 C LYS A 8 9.745 -7.993 -12.831 1.00 33.31 C ATOM 114 O LYS A 8 10.635 -8.842 -12.860 1.00 34.14 O ATOM 115 CB LYS A 8 7.829 -7.737 -11.244 1.00 74.13 C ATOM 116 CG LYS A 8 6.318 -7.641 -11.122 1.00 62.42 C ATOM 117 CD LYS A 8 5.727 -6.760 -12.210 1.00 54.31 C ATOM 118 CE LYS A 8 4.355 -6.235 -11.816 1.00 64.31 C ATOM 119 NZ LYS A 8 4.447 -4.955 -11.060 1.00 3.33 N1+ ATOM 0 H LYS A 8 7.957 -10.190 -11.531 1.00 51.55 H new ATOM 0 HA LYS A 8 7.675 -8.035 -13.367 1.00 1.40 H new ATOM 0 HB2 LYS A 8 8.217 -8.309 -10.401 1.00 74.13 H new ATOM 0 HB3 LYS A 8 8.255 -6.736 -11.174 1.00 74.13 H new ATOM 0 HG2 LYS A 8 5.883 -8.638 -11.183 1.00 62.42 H new ATOM 0 HG3 LYS A 8 6.056 -7.238 -10.144 1.00 62.42 H new ATOM 0 HD2 LYS A 8 6.396 -5.922 -12.405 1.00 54.31 H new ATOM 0 HD3 LYS A 8 5.648 -7.328 -13.137 1.00 54.31 H new ATOM 0 HE2 LYS A 8 3.752 -6.085 -12.712 1.00 64.31 H new ATOM 0 HE3 LYS A 8 3.842 -6.980 -11.208 1.00 64.31 H new ATOM 0 HZ1 LYS A 8 3.491 -4.630 -10.810 1.00 3.33 H new ATOM 0 HZ2 LYS A 8 5.000 -5.103 -10.192 1.00 3.33 H new ATOM 0 HZ3 LYS A 8 4.914 -4.236 -11.649 1.00 3.33 H new ATOM 133 N SER A 9 9.971 -6.700 -13.038 1.00 2.23 N ATOM 134 CA SER A 9 11.309 -6.193 -13.323 1.00 24.10 C ATOM 135 C SER A 9 11.852 -5.399 -12.139 1.00 72.15 C ATOM 136 O SER A 9 11.284 -4.378 -11.749 1.00 12.02 O ATOM 137 CB SER A 9 11.288 -5.314 -14.576 1.00 32.24 C ATOM 138 OG SER A 9 11.470 -6.092 -15.746 1.00 32.31 O ATOM 0 H SER A 9 9.245 -5.984 -13.014 1.00 2.23 H new ATOM 0 HA SER A 9 11.965 -7.046 -13.498 1.00 24.10 H new ATOM 0 HB2 SER A 9 10.339 -4.780 -14.634 1.00 32.24 H new ATOM 0 HB3 SER A 9 12.074 -4.561 -14.510 1.00 32.24 H new ATOM 0 HG SER A 9 11.451 -5.508 -16.533 1.00 32.31 H new ATOM 144 N CYS A 10 12.955 -5.875 -11.572 1.00 31.30 N ATOM 145 CA CYS A 10 13.577 -5.212 -10.432 1.00 0.04 C ATOM 146 C CYS A 10 15.071 -5.011 -10.669 1.00 71.24 C ATOM 147 O CYS A 10 15.661 -5.639 -11.547 1.00 63.40 O ATOM 148 CB CYS A 10 13.357 -6.029 -9.157 1.00 71.41 C ATOM 149 SG CYS A 10 14.345 -7.558 -9.074 1.00 71.51 S ATOM 0 H CYS A 10 13.437 -6.718 -11.884 1.00 31.30 H new ATOM 0 HA CYS A 10 13.111 -4.234 -10.313 1.00 0.04 H new ATOM 0 HB2 CYS A 10 13.596 -5.407 -8.294 1.00 71.41 H new ATOM 0 HB3 CYS A 10 12.301 -6.287 -9.081 1.00 71.41 H new ATOM 154 N VAL A 11 15.675 -4.129 -9.878 1.00 11.35 N ATOM 155 CA VAL A 11 17.100 -3.845 -10.000 1.00 21.30 C ATOM 156 C VAL A 11 17.872 -4.377 -8.798 1.00 12.42 C ATOM 157 O VAL A 11 17.327 -4.551 -7.708 1.00 64.05 O ATOM 158 CB VAL A 11 17.361 -2.333 -10.136 1.00 2.54 C ATOM 159 CG1 VAL A 11 17.003 -1.853 -11.534 1.00 1.43 C ATOM 160 CG2 VAL A 11 16.582 -1.562 -9.082 1.00 21.03 C ATOM 0 H VAL A 11 15.200 -3.600 -9.147 1.00 11.35 H new ATOM 0 HA VAL A 11 17.447 -4.349 -10.902 1.00 21.30 H new ATOM 0 HB VAL A 11 18.423 -2.149 -9.976 1.00 2.54 H new ATOM 0 HG11 VAL A 11 17.194 -0.783 -11.611 1.00 1.43 H new ATOM 0 HG12 VAL A 11 17.610 -2.384 -12.267 1.00 1.43 H new ATOM 0 HG13 VAL A 11 15.948 -2.048 -11.727 1.00 1.43 H new ATOM 0 HG21 VAL A 11 16.778 -0.495 -9.192 1.00 21.03 H new ATOM 0 HG22 VAL A 11 15.516 -1.750 -9.208 1.00 21.03 H new ATOM 0 HG23 VAL A 11 16.893 -1.887 -8.089 1.00 21.03 H new ATOM 170 N PRO A 12 19.171 -4.642 -8.999 1.00 12.43 N ATOM 171 CA PRO A 12 20.047 -5.157 -7.942 1.00 32.44 C ATOM 172 C PRO A 12 20.324 -4.117 -6.861 1.00 74.42 C ATOM 173 O PRO A 12 20.737 -2.997 -7.156 1.00 32.53 O ATOM 174 CB PRO A 12 21.335 -5.510 -8.688 1.00 14.43 C ATOM 175 CG PRO A 12 21.330 -4.627 -9.889 1.00 24.34 C ATOM 176 CD PRO A 12 19.886 -4.458 -10.273 1.00 32.14 C ATOM 0 HA PRO A 12 19.599 -6.000 -7.416 1.00 32.44 H new ATOM 0 HB2 PRO A 12 22.214 -5.331 -8.068 1.00 14.43 H new ATOM 0 HB3 PRO A 12 21.353 -6.563 -8.970 1.00 14.43 H new ATOM 0 HG2 PRO A 12 21.790 -3.664 -9.667 1.00 24.34 H new ATOM 0 HG3 PRO A 12 21.901 -5.073 -10.704 1.00 24.34 H new ATOM 0 HD2 PRO A 12 19.697 -3.474 -10.702 1.00 32.14 H new ATOM 0 HD3 PRO A 12 19.579 -5.194 -11.016 1.00 32.14 H new ATOM 184 N GLY A 13 20.094 -4.498 -5.608 1.00 4.33 N ATOM 185 CA GLY A 13 20.326 -3.586 -4.501 1.00 32.52 C ATOM 186 C GLY A 13 19.036 -3.073 -3.893 1.00 64.23 C ATOM 187 O GLY A 13 18.989 -2.738 -2.709 1.00 14.33 O ATOM 0 H GLY A 13 19.752 -5.420 -5.339 1.00 4.33 H new ATOM 0 HA2 GLY A 13 20.910 -4.093 -3.733 1.00 32.52 H new ATOM 0 HA3 GLY A 13 20.921 -2.742 -4.848 1.00 32.52 H new ATOM 191 N LYS A 14 17.985 -3.009 -4.705 1.00 0.04 N ATOM 192 CA LYS A 14 16.688 -2.533 -4.241 1.00 54.41 C ATOM 193 C LYS A 14 15.889 -3.665 -3.601 1.00 4.00 C ATOM 194 O LYS A 14 15.398 -3.534 -2.481 1.00 23.42 O ATOM 195 CB LYS A 14 15.897 -1.931 -5.404 1.00 54.03 C ATOM 196 CG LYS A 14 16.233 -0.476 -5.679 1.00 64.22 C ATOM 197 CD LYS A 14 17.686 -0.306 -6.089 1.00 44.52 C ATOM 198 CE LYS A 14 17.910 1.008 -6.822 1.00 40.23 C ATOM 199 NZ LYS A 14 19.318 1.154 -7.281 1.00 23.42 N1+ ATOM 0 H LYS A 14 18.007 -3.281 -5.688 1.00 0.04 H new ATOM 0 HA LYS A 14 16.860 -1.763 -3.489 1.00 54.41 H new ATOM 0 HB2 LYS A 14 16.088 -2.516 -6.304 1.00 54.03 H new ATOM 0 HB3 LYS A 14 14.832 -2.015 -5.190 1.00 54.03 H new ATOM 0 HG2 LYS A 14 15.585 -0.095 -6.468 1.00 64.22 H new ATOM 0 HG3 LYS A 14 16.034 0.119 -4.788 1.00 64.22 H new ATOM 0 HD2 LYS A 14 18.321 -0.343 -5.204 1.00 44.52 H new ATOM 0 HD3 LYS A 14 17.984 -1.136 -6.730 1.00 44.52 H new ATOM 0 HE2 LYS A 14 17.241 1.064 -7.680 1.00 40.23 H new ATOM 0 HE3 LYS A 14 17.654 1.839 -6.164 1.00 40.23 H new ATOM 0 HZ1 LYS A 14 19.429 2.062 -7.776 1.00 23.42 H new ATOM 0 HZ2 LYS A 14 19.955 1.127 -6.460 1.00 23.42 H new ATOM 0 HZ3 LYS A 14 19.554 0.376 -7.929 1.00 23.42 H new ATOM 213 N ASN A 15 15.766 -4.775 -4.321 1.00 73.20 N ATOM 214 CA ASN A 15 15.028 -5.931 -3.823 1.00 14.34 C ATOM 215 C ASN A 15 13.557 -5.586 -3.611 1.00 64.14 C ATOM 216 O ASN A 15 12.975 -5.914 -2.577 1.00 51.44 O ATOM 217 CB ASN A 15 15.640 -6.427 -2.511 1.00 54.45 C ATOM 218 CG ASN A 15 17.156 -6.411 -2.539 1.00 41.41 C ATOM 219 OD1 ASN A 15 17.775 -6.817 -3.524 1.00 64.21 O ATOM 220 ND2 ASN A 15 17.764 -5.943 -1.455 1.00 32.42 N ATOM 0 H ASN A 15 16.167 -4.899 -5.251 1.00 73.20 H new ATOM 0 HA ASN A 15 15.095 -6.722 -4.570 1.00 14.34 H new ATOM 0 HB2 ASN A 15 15.288 -5.803 -1.690 1.00 54.45 H new ATOM 0 HB3 ASN A 15 15.293 -7.441 -2.312 1.00 54.45 H new ATOM 0 HD21 ASN A 15 18.783 -5.910 -1.416 1.00 32.42 H new ATOM 0 HD22 ASN A 15 17.212 -5.617 -0.662 1.00 32.42 H new ATOM 227 N GLU A 16 12.962 -4.925 -4.599 1.00 32.33 N ATOM 228 CA GLU A 16 11.558 -4.536 -4.520 1.00 13.41 C ATOM 229 C GLU A 16 10.664 -5.759 -4.339 1.00 64.50 C ATOM 230 O GLU A 16 9.550 -5.658 -3.826 1.00 74.33 O ATOM 231 CB GLU A 16 11.146 -3.772 -5.779 1.00 71.25 C ATOM 232 CG GLU A 16 12.047 -2.590 -6.096 1.00 14.43 C ATOM 233 CD GLU A 16 12.005 -1.519 -5.023 1.00 4.31 C ATOM 234 OE1 GLU A 16 12.672 -1.697 -3.982 1.00 72.13 O1- ATOM 235 OE2 GLU A 16 11.304 -0.505 -5.222 1.00 53.21 O ATOM 0 H GLU A 16 13.429 -4.648 -5.462 1.00 32.33 H new ATOM 0 HA GLU A 16 11.436 -3.886 -3.653 1.00 13.41 H new ATOM 0 HB2 GLU A 16 11.148 -4.457 -6.627 1.00 71.25 H new ATOM 0 HB3 GLU A 16 10.123 -3.416 -5.659 1.00 71.25 H new ATOM 0 HG2 GLU A 16 13.072 -2.941 -6.214 1.00 14.43 H new ATOM 0 HG3 GLU A 16 11.747 -2.155 -7.050 1.00 14.43 H new ATOM 242 N CYS A 17 11.161 -6.916 -4.766 1.00 11.40 N ATOM 243 CA CYS A 17 10.409 -8.160 -4.653 1.00 22.31 C ATOM 244 C CYS A 17 9.908 -8.365 -3.227 1.00 74.41 C ATOM 245 O CYS A 17 10.454 -7.802 -2.278 1.00 72.35 O ATOM 246 CB CYS A 17 11.277 -9.345 -5.077 1.00 4.44 C ATOM 247 SG CYS A 17 11.840 -9.274 -6.808 1.00 32.42 S ATOM 0 H CYS A 17 12.082 -7.017 -5.193 1.00 11.40 H new ATOM 0 HA CYS A 17 9.546 -8.096 -5.316 1.00 22.31 H new ATOM 0 HB2 CYS A 17 12.149 -9.395 -4.425 1.00 4.44 H new ATOM 0 HB3 CYS A 17 10.714 -10.266 -4.927 1.00 4.44 H new ATOM 252 N CYS A 18 8.866 -9.177 -3.083 1.00 55.14 N ATOM 253 CA CYS A 18 8.290 -9.458 -1.773 1.00 24.25 C ATOM 254 C CYS A 18 9.210 -10.363 -0.958 1.00 71.35 C ATOM 255 O CYS A 18 10.162 -10.936 -1.487 1.00 42.53 O ATOM 256 CB CYS A 18 6.915 -10.113 -1.927 1.00 74.34 C ATOM 257 SG CYS A 18 5.698 -9.088 -2.813 1.00 70.23 S ATOM 0 H CYS A 18 8.403 -9.652 -3.858 1.00 55.14 H new ATOM 0 HA CYS A 18 8.176 -8.513 -1.242 1.00 24.25 H new ATOM 0 HB2 CYS A 18 7.032 -11.058 -2.457 1.00 74.34 H new ATOM 0 HB3 CYS A 18 6.524 -10.349 -0.937 1.00 74.34 H new ATOM 262 N SER A 19 8.916 -10.487 0.332 1.00 22.25 N ATOM 263 CA SER A 19 9.718 -11.320 1.222 1.00 43.45 C ATOM 264 C SER A 19 9.748 -12.765 0.731 1.00 70.33 C ATOM 265 O SER A 19 8.707 -13.374 0.493 1.00 11.24 O ATOM 266 CB SER A 19 9.161 -11.265 2.646 1.00 33.12 C ATOM 267 OG SER A 19 9.602 -12.374 3.409 1.00 24.23 O ATOM 0 H SER A 19 8.129 -10.022 0.785 1.00 22.25 H new ATOM 0 HA SER A 19 10.737 -10.933 1.223 1.00 43.45 H new ATOM 0 HB2 SER A 19 9.477 -10.340 3.128 1.00 33.12 H new ATOM 0 HB3 SER A 19 8.072 -11.252 2.613 1.00 33.12 H new ATOM 0 HG SER A 19 9.234 -12.315 4.315 1.00 24.23 H new ATOM 273 N GLY A 20 10.954 -13.307 0.584 1.00 54.32 N ATOM 274 CA GLY A 20 11.099 -14.675 0.123 1.00 63.31 C ATOM 275 C GLY A 20 11.475 -14.756 -1.343 1.00 44.33 C ATOM 276 O GLY A 20 11.439 -15.832 -1.942 1.00 41.02 O ATOM 0 H GLY A 20 11.831 -12.823 0.776 1.00 54.32 H new ATOM 0 HA2 GLY A 20 11.861 -15.177 0.719 1.00 63.31 H new ATOM 0 HA3 GLY A 20 10.164 -15.211 0.285 1.00 63.31 H new ATOM 280 N TYR A 21 11.835 -13.617 -1.923 1.00 22.43 N ATOM 281 CA TYR A 21 12.215 -13.563 -3.330 1.00 33.31 C ATOM 282 C TYR A 21 13.570 -12.885 -3.502 1.00 73.24 C ATOM 283 O TYR A 21 13.929 -11.987 -2.741 1.00 45.31 O ATOM 284 CB TYR A 21 11.152 -12.817 -4.139 1.00 52.44 C ATOM 285 CG TYR A 21 9.827 -13.540 -4.209 1.00 32.41 C ATOM 286 CD1 TYR A 21 9.009 -13.644 -3.091 1.00 11.45 C ATOM 287 CD2 TYR A 21 9.391 -14.120 -5.395 1.00 74.25 C ATOM 288 CE1 TYR A 21 7.797 -14.305 -3.150 1.00 3.33 C ATOM 289 CE2 TYR A 21 8.179 -14.781 -5.464 1.00 54.23 C ATOM 290 CZ TYR A 21 7.387 -14.872 -4.340 1.00 12.33 C ATOM 291 OH TYR A 21 6.180 -15.529 -4.403 1.00 53.32 O ATOM 0 H TYR A 21 11.872 -12.719 -1.441 1.00 22.43 H new ATOM 0 HA TYR A 21 12.291 -14.586 -3.699 1.00 33.31 H new ATOM 0 HB2 TYR A 21 10.996 -11.832 -3.698 1.00 52.44 H new ATOM 0 HB3 TYR A 21 11.523 -12.658 -5.151 1.00 52.44 H new ATOM 0 HD1 TYR A 21 9.326 -13.200 -2.159 1.00 11.45 H new ATOM 0 HD2 TYR A 21 10.010 -14.053 -6.278 1.00 74.25 H new ATOM 0 HE1 TYR A 21 7.174 -14.378 -2.271 1.00 3.33 H new ATOM 0 HE2 TYR A 21 7.854 -15.224 -6.394 1.00 54.23 H new ATOM 0 HH TYR A 21 6.040 -15.869 -5.311 1.00 53.32 H new ATOM 301 N ALA A 22 14.319 -13.321 -4.511 1.00 51.33 N ATOM 302 CA ALA A 22 15.633 -12.755 -4.787 1.00 3.12 C ATOM 303 C ALA A 22 15.620 -11.938 -6.074 1.00 1.44 C ATOM 304 O ALA A 22 14.680 -12.021 -6.865 1.00 35.51 O ATOM 305 CB ALA A 22 16.677 -13.859 -4.870 1.00 41.01 C ATOM 0 H ALA A 22 14.037 -14.064 -5.150 1.00 51.33 H new ATOM 0 HA ALA A 22 15.892 -12.086 -3.966 1.00 3.12 H new ATOM 0 HB1 ALA A 22 17.654 -13.421 -5.077 1.00 41.01 H new ATOM 0 HB2 ALA A 22 16.714 -14.397 -3.923 1.00 41.01 H new ATOM 0 HB3 ALA A 22 16.413 -14.550 -5.670 1.00 41.01 H new ATOM 311 N CYS A 23 16.669 -11.148 -6.279 1.00 21.01 N ATOM 312 CA CYS A 23 16.779 -10.314 -7.470 1.00 23.22 C ATOM 313 C CYS A 23 17.970 -10.739 -8.323 1.00 64.21 C ATOM 314 O CYS A 23 19.056 -11.001 -7.806 1.00 75.42 O ATOM 315 CB CYS A 23 16.917 -8.842 -7.076 1.00 63.31 C ATOM 316 SG CYS A 23 15.382 -7.877 -7.253 1.00 53.32 S ATOM 0 H CYS A 23 17.456 -11.068 -5.635 1.00 21.01 H new ATOM 0 HA CYS A 23 15.870 -10.441 -8.058 1.00 23.22 H new ATOM 0 HB2 CYS A 23 17.252 -8.784 -6.040 1.00 63.31 H new ATOM 0 HB3 CYS A 23 17.694 -8.384 -7.689 1.00 63.31 H new ATOM 321 N SER A 24 17.759 -10.803 -9.633 1.00 62.22 N ATOM 322 CA SER A 24 18.814 -11.199 -10.559 1.00 42.32 C ATOM 323 C SER A 24 19.114 -10.079 -11.551 1.00 4.53 C ATOM 324 O SER A 24 18.294 -9.761 -12.413 1.00 35.33 O ATOM 325 CB SER A 24 18.412 -12.468 -11.312 1.00 23.52 C ATOM 326 OG SER A 24 19.476 -13.403 -11.341 1.00 60.13 O ATOM 0 H SER A 24 16.867 -10.586 -10.078 1.00 62.22 H new ATOM 0 HA SER A 24 19.715 -11.400 -9.980 1.00 42.32 H new ATOM 0 HB2 SER A 24 17.542 -12.918 -10.834 1.00 23.52 H new ATOM 0 HB3 SER A 24 18.120 -12.213 -12.331 1.00 23.52 H new ATOM 0 HG SER A 24 19.193 -14.206 -11.826 1.00 60.13 H new ATOM 332 N SER A 25 20.296 -9.485 -11.423 1.00 53.21 N ATOM 333 CA SER A 25 20.704 -8.398 -12.306 1.00 62.51 C ATOM 334 C SER A 25 20.998 -8.919 -13.710 1.00 52.10 C ATOM 335 O SER A 25 20.957 -8.167 -14.684 1.00 0.11 O ATOM 336 CB SER A 25 21.941 -7.693 -11.743 1.00 3.21 C ATOM 337 OG SER A 25 22.490 -6.794 -12.690 1.00 24.10 O ATOM 0 H SER A 25 20.988 -9.738 -10.717 1.00 53.21 H new ATOM 0 HA SER A 25 19.882 -7.684 -12.367 1.00 62.51 H new ATOM 0 HB2 SER A 25 21.674 -7.152 -10.835 1.00 3.21 H new ATOM 0 HB3 SER A 25 22.690 -8.434 -11.463 1.00 3.21 H new ATOM 0 HG SER A 25 23.278 -6.355 -12.306 1.00 24.10 H new ATOM 343 N ARG A 26 21.292 -10.211 -13.805 1.00 62.31 N ATOM 344 CA ARG A 26 21.593 -10.833 -15.089 1.00 24.03 C ATOM 345 C ARG A 26 20.500 -10.531 -16.109 1.00 71.54 C ATOM 346 O ARG A 26 20.784 -10.139 -17.241 1.00 33.12 O ATOM 347 CB ARG A 26 21.747 -12.346 -14.923 1.00 32.33 C ATOM 348 CG ARG A 26 22.660 -12.983 -15.957 1.00 34.31 C ATOM 349 CD ARG A 26 22.885 -14.459 -15.668 1.00 74.15 C ATOM 350 NE ARG A 26 24.041 -14.676 -14.802 1.00 34.12 N ATOM 351 CZ ARG A 26 24.408 -15.871 -14.352 1.00 62.23 C ATOM 352 NH1 ARG A 26 23.714 -16.950 -14.686 1.00 4.20 N1+ ATOM 353 NH2 ARG A 26 25.471 -15.988 -13.568 1.00 25.53 N ATOM 0 H ARG A 26 21.328 -10.848 -13.009 1.00 62.31 H new ATOM 0 HA ARG A 26 22.532 -10.417 -15.455 1.00 24.03 H new ATOM 0 HB2 ARG A 26 22.138 -12.556 -13.927 1.00 32.33 H new ATOM 0 HB3 ARG A 26 20.763 -12.811 -14.984 1.00 32.33 H new ATOM 0 HG2 ARG A 26 22.224 -12.868 -16.949 1.00 34.31 H new ATOM 0 HG3 ARG A 26 23.618 -12.463 -15.968 1.00 34.31 H new ATOM 0 HD2 ARG A 26 21.995 -14.876 -15.196 1.00 74.15 H new ATOM 0 HD3 ARG A 26 23.029 -14.995 -16.606 1.00 74.15 H new ATOM 0 HE ARG A 26 24.597 -13.866 -14.528 1.00 34.12 H new ATOM 0 HH11 ARG A 26 22.896 -16.864 -15.290 1.00 4.20 H new ATOM 0 HH12 ARG A 26 23.998 -17.866 -14.339 1.00 4.20 H new ATOM 0 HH21 ARG A 26 26.008 -15.160 -13.310 1.00 25.53 H new ATOM 0 HH22 ARG A 26 25.752 -16.906 -13.223 1.00 25.53 H new ATOM 367 N ASP A 27 19.249 -10.716 -15.701 1.00 53.53 N ATOM 368 CA ASP A 27 18.113 -10.464 -16.579 1.00 64.32 C ATOM 369 C ASP A 27 17.256 -9.321 -16.043 1.00 51.53 C ATOM 370 O ASP A 27 16.269 -8.928 -16.663 1.00 70.30 O ATOM 371 CB ASP A 27 17.265 -11.727 -16.727 1.00 24.43 C ATOM 372 CG ASP A 27 17.365 -12.333 -18.113 1.00 71.42 C ATOM 373 OD1 ASP A 27 17.417 -11.563 -19.094 1.00 34.43 O1- ATOM 374 OD2 ASP A 27 17.392 -13.578 -18.218 1.00 61.54 O ATOM 0 H ASP A 27 18.996 -11.040 -14.767 1.00 53.53 H new ATOM 0 HA ASP A 27 18.498 -10.178 -17.558 1.00 64.32 H new ATOM 0 HB2 ASP A 27 17.583 -12.463 -15.988 1.00 24.43 H new ATOM 0 HB3 ASP A 27 16.223 -11.489 -16.512 1.00 24.43 H new ATOM 379 N LYS A 28 17.640 -8.793 -14.886 1.00 24.22 N ATOM 380 CA LYS A 28 16.908 -7.695 -14.265 1.00 42.13 C ATOM 381 C LYS A 28 15.460 -8.090 -13.996 1.00 72.43 C ATOM 382 O LYS A 28 14.531 -7.392 -14.402 1.00 12.12 O ATOM 383 CB LYS A 28 16.952 -6.455 -15.161 1.00 42.20 C ATOM 384 CG LYS A 28 18.228 -5.645 -15.017 1.00 61.11 C ATOM 385 CD LYS A 28 18.104 -4.284 -15.681 1.00 63.24 C ATOM 386 CE LYS A 28 17.363 -3.297 -14.793 1.00 34.52 C ATOM 387 NZ LYS A 28 15.904 -3.268 -15.091 1.00 25.10 N1+ ATOM 0 H LYS A 28 18.455 -9.108 -14.359 1.00 24.22 H new ATOM 0 HA LYS A 28 17.386 -7.465 -13.313 1.00 42.13 H new ATOM 0 HB2 LYS A 28 16.844 -6.764 -16.201 1.00 42.20 H new ATOM 0 HB3 LYS A 28 16.099 -5.818 -14.927 1.00 42.20 H new ATOM 0 HG2 LYS A 28 18.460 -5.515 -13.960 1.00 61.11 H new ATOM 0 HG3 LYS A 28 19.059 -6.193 -15.461 1.00 61.11 H new ATOM 0 HD2 LYS A 28 19.097 -3.897 -15.908 1.00 63.24 H new ATOM 0 HD3 LYS A 28 17.578 -4.387 -16.630 1.00 63.24 H new ATOM 0 HE2 LYS A 28 17.515 -3.565 -13.747 1.00 34.52 H new ATOM 0 HE3 LYS A 28 17.781 -2.300 -14.931 1.00 34.52 H new ATOM 0 HZ1 LYS A 28 15.561 -2.287 -15.053 1.00 25.10 H new ATOM 0 HZ2 LYS A 28 15.736 -3.657 -16.041 1.00 25.10 H new ATOM 0 HZ3 LYS A 28 15.395 -3.840 -14.388 1.00 25.10 H new ATOM 401 N TRP A 29 15.275 -9.212 -13.309 1.00 31.41 N ATOM 402 CA TRP A 29 13.939 -9.698 -12.984 1.00 42.43 C ATOM 403 C TRP A 29 13.878 -10.204 -11.548 1.00 31.51 C ATOM 404 O TRP A 29 14.845 -10.084 -10.795 1.00 3.13 O ATOM 405 CB TRP A 29 13.532 -10.814 -13.949 1.00 32.13 C ATOM 406 CG TRP A 29 14.540 -11.919 -14.039 1.00 73.24 C ATOM 407 CD1 TRP A 29 15.548 -12.182 -13.155 1.00 40.14 C ATOM 408 CD2 TRP A 29 14.637 -12.908 -15.068 1.00 44.13 C ATOM 409 NE1 TRP A 29 16.267 -13.276 -13.574 1.00 31.43 N ATOM 410 CE2 TRP A 29 15.728 -13.741 -14.745 1.00 72.32 C ATOM 411 CE3 TRP A 29 13.909 -13.175 -16.231 1.00 30.31 C ATOM 412 CZ2 TRP A 29 16.104 -14.816 -15.544 1.00 63.02 C ATOM 413 CZ3 TRP A 29 14.285 -14.243 -17.023 1.00 21.22 C ATOM 414 CH2 TRP A 29 15.374 -15.054 -16.676 1.00 64.04 C ATOM 0 H TRP A 29 16.033 -9.802 -12.966 1.00 31.41 H new ATOM 0 HA TRP A 29 13.242 -8.866 -13.086 1.00 42.43 H new ATOM 0 HB2 TRP A 29 12.576 -11.229 -13.630 1.00 32.13 H new ATOM 0 HB3 TRP A 29 13.380 -10.389 -14.941 1.00 32.13 H new ATOM 0 HD1 TRP A 29 15.750 -11.614 -12.259 1.00 40.14 H new ATOM 0 HE1 TRP A 29 17.071 -13.677 -13.092 1.00 31.43 H new ATOM 0 HE3 TRP A 29 13.067 -12.557 -16.506 1.00 30.31 H new ATOM 0 HZ2 TRP A 29 16.944 -15.441 -15.279 1.00 63.02 H new ATOM 0 HZ3 TRP A 29 13.730 -14.456 -17.925 1.00 21.22 H new ATOM 0 HH2 TRP A 29 15.642 -15.883 -17.315 1.00 64.04 H new ATOM 425 N CYS A 30 12.736 -10.772 -11.173 1.00 44.54 N ATOM 426 CA CYS A 30 12.550 -11.297 -9.826 1.00 1.53 C ATOM 427 C CYS A 30 12.848 -12.793 -9.778 1.00 31.32 C ATOM 428 O CYS A 30 12.963 -13.448 -10.815 1.00 74.25 O ATOM 429 CB CYS A 30 11.119 -11.036 -9.349 1.00 64.32 C ATOM 430 SG CYS A 30 10.889 -9.420 -8.541 1.00 55.01 S ATOM 0 H CYS A 30 11.926 -10.880 -11.783 1.00 44.54 H new ATOM 0 HA CYS A 30 13.248 -10.784 -9.164 1.00 1.53 H new ATOM 0 HB2 CYS A 30 10.445 -11.103 -10.203 1.00 64.32 H new ATOM 0 HB3 CYS A 30 10.830 -11.823 -8.652 1.00 64.32 H new ATOM 435 N LYS A 31 12.971 -13.328 -8.568 1.00 1.34 N ATOM 436 CA LYS A 31 13.255 -14.746 -8.384 1.00 53.31 C ATOM 437 C LYS A 31 12.494 -15.301 -7.184 1.00 30.41 C ATOM 438 O LYS A 31 12.247 -14.590 -6.210 1.00 2.12 O ATOM 439 CB LYS A 31 14.757 -14.967 -8.195 1.00 64.22 C ATOM 440 CG LYS A 31 15.611 -14.267 -9.239 1.00 62.34 C ATOM 441 CD LYS A 31 15.461 -14.914 -10.605 1.00 21.52 C ATOM 442 CE LYS A 31 16.663 -15.781 -10.947 1.00 41.12 C ATOM 443 NZ LYS A 31 16.414 -17.217 -10.641 1.00 11.43 N1+ ATOM 0 H LYS A 31 12.878 -12.801 -7.700 1.00 1.34 H new ATOM 0 HA LYS A 31 12.926 -15.276 -9.278 1.00 53.31 H new ATOM 0 HB2 LYS A 31 15.046 -14.614 -7.205 1.00 64.22 H new ATOM 0 HB3 LYS A 31 14.965 -16.037 -8.225 1.00 64.22 H new ATOM 0 HG2 LYS A 31 15.326 -13.217 -9.299 1.00 62.34 H new ATOM 0 HG3 LYS A 31 16.657 -14.296 -8.934 1.00 62.34 H new ATOM 0 HD2 LYS A 31 14.556 -15.521 -10.624 1.00 21.52 H new ATOM 0 HD3 LYS A 31 15.341 -14.141 -11.364 1.00 21.52 H new ATOM 0 HE2 LYS A 31 16.901 -15.671 -12.005 1.00 41.12 H new ATOM 0 HE3 LYS A 31 17.532 -15.435 -10.387 1.00 41.12 H new ATOM 0 HZ1 LYS A 31 17.256 -17.776 -10.888 1.00 11.43 H new ATOM 0 HZ2 LYS A 31 16.211 -17.326 -9.627 1.00 11.43 H new ATOM 0 HZ3 LYS A 31 15.601 -17.554 -11.195 1.00 11.43 H new ATOM 457 N VAL A 32 12.126 -16.577 -7.260 1.00 34.04 N ATOM 458 CA VAL A 32 11.395 -17.227 -6.180 1.00 65.25 C ATOM 459 C VAL A 32 12.042 -18.555 -5.802 1.00 2.32 C ATOM 460 O VAL A 32 12.362 -19.371 -6.666 1.00 22.20 O ATOM 461 CB VAL A 32 9.925 -17.477 -6.567 1.00 73.43 C ATOM 462 CG1 VAL A 32 9.839 -18.437 -7.743 1.00 11.10 C ATOM 463 CG2 VAL A 32 9.144 -18.009 -5.374 1.00 60.31 C ATOM 0 H VAL A 32 12.323 -17.180 -8.059 1.00 34.04 H new ATOM 0 HA VAL A 32 11.427 -16.552 -5.325 1.00 65.25 H new ATOM 0 HB VAL A 32 9.480 -16.529 -6.870 1.00 73.43 H new ATOM 0 HG11 VAL A 32 8.793 -18.602 -8.002 1.00 11.10 H new ATOM 0 HG12 VAL A 32 10.363 -18.011 -8.599 1.00 11.10 H new ATOM 0 HG13 VAL A 32 10.300 -19.387 -7.472 1.00 11.10 H new ATOM 0 HG21 VAL A 32 8.108 -18.180 -5.665 1.00 60.31 H new ATOM 0 HG22 VAL A 32 9.586 -18.947 -5.038 1.00 60.31 H new ATOM 0 HG23 VAL A 32 9.178 -17.281 -4.563 1.00 60.31 H new ATOM 473 N LEU A 33 12.231 -18.765 -4.503 1.00 35.50 N ATOM 474 CA LEU A 33 12.841 -19.995 -4.008 1.00 75.13 C ATOM 475 C LEU A 33 11.775 -20.977 -3.532 1.00 13.13 C ATOM 476 O LEU A 33 10.741 -20.576 -2.995 1.00 43.41 O ATOM 477 CB LEU A 33 13.810 -19.685 -2.866 1.00 4.12 C ATOM 478 CG LEU A 33 14.664 -18.427 -3.035 1.00 42.40 C ATOM 479 CD1 LEU A 33 13.946 -17.214 -2.465 1.00 61.02 C ATOM 480 CD2 LEU A 33 16.019 -18.610 -2.367 1.00 62.44 C ATOM 0 H LEU A 33 11.971 -18.100 -3.774 1.00 35.50 H new ATOM 0 HA LEU A 33 13.392 -20.453 -4.829 1.00 75.13 H new ATOM 0 HB2 LEU A 33 13.236 -19.589 -1.944 1.00 4.12 H new ATOM 0 HB3 LEU A 33 14.476 -20.538 -2.739 1.00 4.12 H new ATOM 0 HG LEU A 33 14.825 -18.260 -4.100 1.00 42.40 H new ATOM 0 HD11 LEU A 33 14.569 -16.329 -2.594 1.00 61.02 H new ATOM 0 HD12 LEU A 33 13.000 -17.072 -2.988 1.00 61.02 H new ATOM 0 HD13 LEU A 33 13.754 -17.371 -1.404 1.00 61.02 H new ATOM 0 HD21 LEU A 33 16.614 -17.706 -2.497 1.00 62.44 H new ATOM 0 HD22 LEU A 33 15.877 -18.802 -1.303 1.00 62.44 H new ATOM 0 HD23 LEU A 33 16.538 -19.454 -2.822 1.00 62.44 H new ATOM 492 N LEU A 34 12.034 -22.265 -3.731 1.00 44.45 N ATOM 493 CA LEU A 34 11.097 -23.305 -3.320 1.00 44.30 C ATOM 494 C LEU A 34 11.085 -23.458 -1.802 1.00 65.04 C ATOM 495 O LEU A 34 10.131 -23.984 -1.228 1.00 62.12 O ATOM 496 CB LEU A 34 11.466 -24.638 -3.973 1.00 14.40 C ATOM 497 CG LEU A 34 10.920 -24.866 -5.384 1.00 53.30 C ATOM 498 CD1 LEU A 34 9.400 -24.896 -5.370 1.00 21.23 C ATOM 499 CD2 LEU A 34 11.426 -23.788 -6.332 1.00 1.13 C ATOM 0 H LEU A 34 12.884 -22.614 -4.174 1.00 44.45 H new ATOM 0 HA LEU A 34 10.100 -23.010 -3.646 1.00 44.30 H new ATOM 0 HB2 LEU A 34 12.553 -24.714 -4.008 1.00 14.40 H new ATOM 0 HB3 LEU A 34 11.110 -25.445 -3.332 1.00 14.40 H new ATOM 0 HG LEU A 34 11.278 -25.832 -5.740 1.00 53.30 H new ATOM 0 HD11 LEU A 34 9.030 -25.059 -6.382 1.00 21.23 H new ATOM 0 HD12 LEU A 34 9.058 -25.705 -4.724 1.00 21.23 H new ATOM 0 HD13 LEU A 34 9.021 -23.946 -4.994 1.00 21.23 H new ATOM 0 HD21 LEU A 34 11.028 -23.966 -7.331 1.00 1.13 H new ATOM 0 HD22 LEU A 34 11.098 -22.810 -5.979 1.00 1.13 H new ATOM 0 HD23 LEU A 34 12.515 -23.815 -6.365 1.00 1.13 H new TER 511 LEU A 34