USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 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 GLY N :NH3+ -121:sc= 0.0813 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00305) USER MOD Single : A 28 THR OG1 : rot 107:sc= -0.187 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.176 0.385 -0.142 1.00 43.21 N ATOM 2 CA GLY A 1 2.091 -0.286 -1.047 1.00 72.20 C ATOM 3 C GLY A 1 1.369 -1.099 -2.104 1.00 11.34 C ATOM 4 O GLY A 1 0.139 -1.112 -2.154 1.00 74.11 O ATOM 0 H1 GLY A 1 1.338 1.412 -0.183 1.00 43.21 H new ATOM 0 H2 GLY A 1 0.196 0.178 -0.422 1.00 43.21 H new ATOM 0 H3 GLY A 1 1.337 0.047 0.828 1.00 43.21 H new ATOM 0 HA2 GLY A 1 2.725 0.455 -1.533 1.00 72.20 H new ATOM 0 HA3 GLY A 1 2.748 -0.941 -0.475 1.00 72.20 H new ATOM 8 N CYS A 2 2.135 -1.777 -2.952 1.00 35.24 N ATOM 9 CA CYS A 2 1.561 -2.594 -4.014 1.00 65.42 C ATOM 10 C CYS A 2 2.088 -4.025 -3.944 1.00 71.00 C ATOM 11 O CYS A 2 3.047 -4.311 -3.226 1.00 34.14 O ATOM 12 CB CYS A 2 1.882 -1.988 -5.382 1.00 12.12 C ATOM 13 SG CYS A 2 3.659 -1.723 -5.680 1.00 4.34 S ATOM 0 H CYS A 2 3.155 -1.777 -2.924 1.00 35.24 H new ATOM 0 HA CYS A 2 0.480 -2.616 -3.878 1.00 65.42 H new ATOM 0 HB2 CYS A 2 1.488 -2.643 -6.159 1.00 12.12 H new ATOM 0 HB3 CYS A 2 1.363 -1.034 -5.476 1.00 12.12 H new ATOM 18 N LEU A 3 1.455 -4.920 -4.695 1.00 11.33 N ATOM 19 CA LEU A 3 1.859 -6.321 -4.719 1.00 32.31 C ATOM 20 C LEU A 3 2.867 -6.578 -5.834 1.00 71.34 C ATOM 21 O LEU A 3 2.623 -6.247 -6.994 1.00 31.21 O ATOM 22 CB LEU A 3 0.636 -7.222 -4.903 1.00 41.34 C ATOM 23 CG LEU A 3 -0.525 -6.984 -3.937 1.00 25.13 C ATOM 24 CD1 LEU A 3 -1.833 -7.461 -4.547 1.00 34.25 C ATOM 25 CD2 LEU A 3 -0.266 -7.684 -2.610 1.00 44.24 C ATOM 0 H LEU A 3 0.660 -4.700 -5.295 1.00 11.33 H new ATOM 0 HA LEU A 3 2.333 -6.553 -3.765 1.00 32.31 H new ATOM 0 HB2 LEU A 3 0.267 -7.096 -5.921 1.00 41.34 H new ATOM 0 HB3 LEU A 3 0.956 -8.259 -4.806 1.00 41.34 H new ATOM 0 HG LEU A 3 -0.604 -5.913 -3.751 1.00 25.13 H new ATOM 0 HD11 LEU A 3 -2.648 -7.284 -3.845 1.00 34.25 H new ATOM 0 HD12 LEU A 3 -2.024 -6.915 -5.471 1.00 34.25 H new ATOM 0 HD13 LEU A 3 -1.766 -8.527 -4.763 1.00 34.25 H new ATOM 0 HD21 LEU A 3 -1.102 -7.504 -1.934 1.00 44.24 H new ATOM 0 HD22 LEU A 3 -0.160 -8.756 -2.779 1.00 44.24 H new ATOM 0 HD23 LEU A 3 0.650 -7.294 -2.166 1.00 44.24 H new ATOM 37 N GLY A 4 4.001 -7.173 -5.475 1.00 74.24 N ATOM 38 CA GLY A 4 5.028 -7.467 -6.458 1.00 13.33 C ATOM 39 C GLY A 4 4.534 -8.388 -7.556 1.00 13.34 C ATOM 40 O GLY A 4 3.340 -8.676 -7.642 1.00 73.40 O ATOM 0 H GLY A 4 4.227 -7.456 -4.522 1.00 74.24 H new ATOM 0 HA2 GLY A 4 5.380 -6.535 -6.901 1.00 13.33 H new ATOM 0 HA3 GLY A 4 5.882 -7.926 -5.960 1.00 13.33 H new ATOM 44 N ILE A 5 5.453 -8.849 -8.397 1.00 52.30 N ATOM 45 CA ILE A 5 5.103 -9.742 -9.495 1.00 5.41 C ATOM 46 C ILE A 5 4.961 -11.180 -9.009 1.00 74.14 C ATOM 47 O ILE A 5 5.654 -11.607 -8.086 1.00 1.22 O ATOM 48 CB ILE A 5 6.157 -9.693 -10.617 1.00 51.23 C ATOM 49 CG1 ILE A 5 5.720 -10.567 -11.795 1.00 2.22 C ATOM 50 CG2 ILE A 5 7.512 -10.141 -10.092 1.00 22.54 C ATOM 51 CD1 ILE A 5 6.640 -10.472 -12.992 1.00 3.23 C ATOM 0 H ILE A 5 6.445 -8.619 -8.339 1.00 52.30 H new ATOM 0 HA ILE A 5 4.147 -9.398 -9.890 1.00 5.41 H new ATOM 0 HB ILE A 5 6.247 -8.664 -10.966 1.00 51.23 H new ATOM 0 HG12 ILE A 5 5.669 -11.605 -11.467 1.00 2.22 H new ATOM 0 HG13 ILE A 5 4.713 -10.279 -12.097 1.00 2.22 H new ATOM 0 HG21 ILE A 5 8.246 -10.101 -10.897 1.00 22.54 H new ATOM 0 HG22 ILE A 5 7.825 -9.481 -9.283 1.00 22.54 H new ATOM 0 HG23 ILE A 5 7.438 -11.163 -9.719 1.00 22.54 H new ATOM 0 HD11 ILE A 5 6.269 -11.117 -13.788 1.00 3.23 H new ATOM 0 HD12 ILE A 5 6.672 -9.441 -13.345 1.00 3.23 H new ATOM 0 HD13 ILE A 5 7.643 -10.789 -12.706 1.00 3.23 H new ATOM 63 N PHE A 6 4.058 -11.924 -9.639 1.00 74.41 N ATOM 64 CA PHE A 6 3.824 -13.316 -9.272 1.00 71.21 C ATOM 65 C PHE A 6 3.438 -13.433 -7.800 1.00 61.35 C ATOM 66 O PHE A 6 3.909 -14.323 -7.092 1.00 3.13 O ATOM 67 CB PHE A 6 5.072 -14.156 -9.552 1.00 72.12 C ATOM 68 CG PHE A 6 5.388 -14.291 -11.014 1.00 75.44 C ATOM 69 CD1 PHE A 6 4.402 -14.652 -11.919 1.00 52.10 C ATOM 70 CD2 PHE A 6 6.670 -14.058 -11.484 1.00 53.44 C ATOM 71 CE1 PHE A 6 4.690 -14.778 -13.265 1.00 10.12 C ATOM 72 CE2 PHE A 6 6.964 -14.182 -12.829 1.00 52.43 C ATOM 73 CZ PHE A 6 5.972 -14.541 -13.721 1.00 22.23 C ATOM 0 H PHE A 6 3.476 -11.586 -10.406 1.00 74.41 H new ATOM 0 HA PHE A 6 2.999 -13.691 -9.877 1.00 71.21 H new ATOM 0 HB2 PHE A 6 5.925 -13.706 -9.044 1.00 72.12 H new ATOM 0 HB3 PHE A 6 4.935 -15.149 -9.125 1.00 72.12 H new ATOM 0 HD1 PHE A 6 3.397 -14.837 -11.568 1.00 52.10 H new ATOM 0 HD2 PHE A 6 7.449 -13.776 -10.791 1.00 53.44 H new ATOM 0 HE1 PHE A 6 3.913 -15.062 -13.960 1.00 10.12 H new ATOM 0 HE2 PHE A 6 7.968 -13.998 -13.182 1.00 52.43 H new ATOM 0 HZ PHE A 6 6.198 -14.636 -14.773 1.00 22.23 H new ATOM 83 N LYS A 7 2.578 -12.528 -7.347 1.00 33.11 N ATOM 84 CA LYS A 7 2.126 -12.528 -5.960 1.00 64.04 C ATOM 85 C LYS A 7 0.621 -12.762 -5.878 1.00 43.21 C ATOM 86 O LYS A 7 -0.161 -12.060 -6.518 1.00 11.11 O ATOM 87 CB LYS A 7 2.485 -11.202 -5.286 1.00 12.11 C ATOM 88 CG LYS A 7 3.927 -11.129 -4.816 1.00 22.14 C ATOM 89 CD LYS A 7 4.153 -11.978 -3.575 1.00 51.44 C ATOM 90 CE LYS A 7 3.810 -11.212 -2.306 1.00 72.45 C ATOM 91 NZ LYS A 7 4.427 -11.832 -1.101 1.00 74.21 N ATOM 0 H LYS A 7 2.179 -11.784 -7.920 1.00 33.11 H new ATOM 0 HA LYS A 7 2.631 -13.342 -5.439 1.00 64.04 H new ATOM 0 HB2 LYS A 7 2.298 -10.387 -5.985 1.00 12.11 H new ATOM 0 HB3 LYS A 7 1.825 -11.048 -4.432 1.00 12.11 H new ATOM 0 HG2 LYS A 7 4.588 -11.466 -5.614 1.00 22.14 H new ATOM 0 HG3 LYS A 7 4.189 -10.093 -4.602 1.00 22.14 H new ATOM 0 HD2 LYS A 7 3.543 -12.879 -3.633 1.00 51.44 H new ATOM 0 HD3 LYS A 7 5.194 -12.299 -3.537 1.00 51.44 H new ATOM 0 HE2 LYS A 7 4.152 -10.181 -2.400 1.00 72.45 H new ATOM 0 HE3 LYS A 7 2.727 -11.178 -2.183 1.00 72.45 H new ATOM 0 HZ1 LYS A 7 4.170 -11.281 -0.257 1.00 74.21 H new ATOM 0 HZ2 LYS A 7 4.081 -12.807 -0.997 1.00 74.21 H new ATOM 0 HZ3 LYS A 7 5.462 -11.841 -1.206 1.00 74.21 H new ATOM 105 N ALA A 8 0.223 -13.752 -5.085 1.00 43.54 N ATOM 106 CA ALA A 8 -1.188 -14.075 -4.917 1.00 40.11 C ATOM 107 C ALA A 8 -1.997 -12.832 -4.561 1.00 32.41 C ATOM 108 O ALA A 8 -1.503 -11.930 -3.884 1.00 34.44 O ATOM 109 CB ALA A 8 -1.361 -15.144 -3.848 1.00 44.11 C ATOM 0 H ALA A 8 0.858 -14.344 -4.549 1.00 43.54 H new ATOM 0 HA ALA A 8 -1.563 -14.461 -5.865 1.00 40.11 H new ATOM 0 HB1 ALA A 8 -2.420 -15.376 -3.733 1.00 44.11 H new ATOM 0 HB2 ALA A 8 -0.823 -16.045 -4.144 1.00 44.11 H new ATOM 0 HB3 ALA A 8 -0.965 -14.779 -2.901 1.00 44.11 H new ATOM 115 N CYS A 9 -3.243 -12.791 -5.022 1.00 23.10 N ATOM 116 CA CYS A 9 -4.121 -11.659 -4.753 1.00 42.35 C ATOM 117 C CYS A 9 -5.517 -11.907 -5.318 1.00 23.11 C ATOM 118 O CYS A 9 -5.796 -12.973 -5.865 1.00 25.24 O ATOM 119 CB CYS A 9 -3.536 -10.379 -5.355 1.00 21.24 C ATOM 120 SG CYS A 9 -2.951 -10.563 -7.070 1.00 20.41 S ATOM 0 H CYS A 9 -3.667 -13.529 -5.584 1.00 23.10 H new ATOM 0 HA CYS A 9 -4.201 -11.542 -3.672 1.00 42.35 H new ATOM 0 HB2 CYS A 9 -4.294 -9.596 -5.323 1.00 21.24 H new ATOM 0 HB3 CYS A 9 -2.706 -10.044 -4.733 1.00 21.24 H new ATOM 125 N ASN A 10 -6.390 -10.914 -5.181 1.00 24.11 N ATOM 126 CA ASN A 10 -7.757 -11.024 -5.677 1.00 23.54 C ATOM 127 C ASN A 10 -8.042 -9.956 -6.727 1.00 52.24 C ATOM 128 O ASN A 10 -7.630 -8.802 -6.603 1.00 74.24 O ATOM 129 CB ASN A 10 -8.752 -10.898 -4.521 1.00 61.54 C ATOM 130 CG ASN A 10 -8.272 -9.943 -3.446 1.00 43.12 C ATOM 131 OD1 ASN A 10 -7.347 -10.251 -2.694 1.00 42.04 O ATOM 132 ND2 ASN A 10 -8.900 -8.776 -3.368 1.00 54.25 N ATOM 0 H ASN A 10 -6.175 -10.024 -4.731 1.00 24.11 H new ATOM 0 HA ASN A 10 -7.871 -12.004 -6.141 1.00 23.54 H new ATOM 0 HB2 ASN A 10 -9.711 -10.553 -4.907 1.00 61.54 H new ATOM 0 HB3 ASN A 10 -8.920 -11.881 -4.081 1.00 61.54 H new ATOM 0 HD21 ASN A 10 -8.621 -8.093 -2.664 1.00 54.25 H new ATOM 0 HD22 ASN A 10 -9.662 -8.563 -4.012 1.00 54.25 H new ATOM 139 N PRO A 11 -8.765 -10.347 -7.788 1.00 0.44 N ATOM 140 CA PRO A 11 -9.123 -9.437 -8.880 1.00 70.32 C ATOM 141 C PRO A 11 -10.141 -8.387 -8.450 1.00 10.30 C ATOM 142 O PRO A 11 -10.183 -7.287 -9.002 1.00 34.13 O ATOM 143 CB PRO A 11 -9.729 -10.369 -9.933 1.00 45.00 C ATOM 144 CG PRO A 11 -10.233 -11.538 -9.159 1.00 42.03 C ATOM 145 CD PRO A 11 -9.289 -11.706 -8.001 1.00 22.20 C ATOM 0 HA PRO A 11 -8.263 -8.870 -9.236 1.00 70.32 H new ATOM 0 HB2 PRO A 11 -10.535 -9.879 -10.479 1.00 45.00 H new ATOM 0 HB3 PRO A 11 -8.984 -10.673 -10.669 1.00 45.00 H new ATOM 0 HG2 PRO A 11 -11.251 -11.366 -8.810 1.00 42.03 H new ATOM 0 HG3 PRO A 11 -10.255 -12.435 -9.778 1.00 42.03 H new ATOM 0 HD2 PRO A 11 -9.802 -12.082 -7.116 1.00 22.20 H new ATOM 0 HD3 PRO A 11 -8.492 -12.412 -8.232 1.00 22.20 H new ATOM 153 N SER A 12 -10.959 -8.732 -7.461 1.00 74.33 N ATOM 154 CA SER A 12 -11.980 -7.820 -6.959 1.00 42.52 C ATOM 155 C SER A 12 -11.342 -6.576 -6.346 1.00 75.32 C ATOM 156 O SER A 12 -11.921 -5.491 -6.374 1.00 71.01 O ATOM 157 CB SER A 12 -12.856 -8.522 -5.921 1.00 32.14 C ATOM 158 OG SER A 12 -14.117 -7.886 -5.803 1.00 73.45 O ATOM 0 H SER A 12 -10.935 -9.637 -6.991 1.00 74.33 H new ATOM 0 HA SER A 12 -12.602 -7.512 -7.799 1.00 42.52 H new ATOM 0 HB2 SER A 12 -12.997 -9.565 -6.205 1.00 32.14 H new ATOM 0 HB3 SER A 12 -12.352 -8.520 -4.954 1.00 32.14 H new ATOM 0 HG SER A 12 -14.659 -8.355 -5.134 1.00 73.45 H new ATOM 164 N ASN A 13 -10.146 -6.744 -5.793 1.00 21.34 N ATOM 165 CA ASN A 13 -9.429 -5.637 -5.172 1.00 2.44 C ATOM 166 C ASN A 13 -7.965 -5.627 -5.601 1.00 61.15 C ATOM 167 O ASN A 13 -7.066 -5.457 -4.777 1.00 73.32 O ATOM 168 CB ASN A 13 -9.524 -5.731 -3.647 1.00 43.24 C ATOM 169 CG ASN A 13 -9.539 -4.367 -2.984 1.00 23.33 C ATOM 170 OD1 ASN A 13 -10.546 -3.660 -3.016 1.00 43.11 O ATOM 171 ND2 ASN A 13 -8.418 -3.992 -2.377 1.00 73.34 N ATOM 0 H ASN A 13 -9.653 -7.636 -5.762 1.00 21.34 H new ATOM 0 HA ASN A 13 -9.892 -4.707 -5.502 1.00 2.44 H new ATOM 0 HB2 ASN A 13 -10.429 -6.274 -3.375 1.00 43.24 H new ATOM 0 HB3 ASN A 13 -8.680 -6.307 -3.268 1.00 43.24 H new ATOM 0 HD21 ASN A 13 -8.368 -3.085 -1.912 1.00 73.34 H new ATOM 0 HD22 ASN A 13 -7.607 -4.611 -2.376 1.00 73.34 H new ATOM 178 N ASP A 14 -7.733 -5.810 -6.897 1.00 14.23 N ATOM 179 CA ASP A 14 -6.379 -5.821 -7.437 1.00 40.32 C ATOM 180 C ASP A 14 -5.597 -4.597 -6.969 1.00 32.31 C ATOM 181 O ASP A 14 -6.064 -3.466 -7.094 1.00 53.24 O ATOM 182 CB ASP A 14 -6.417 -5.863 -8.966 1.00 12.54 C ATOM 183 CG ASP A 14 -5.108 -5.423 -9.590 1.00 5.32 C ATOM 184 OD1 ASP A 14 -4.043 -5.717 -9.006 1.00 13.21 O ATOM 185 OD2 ASP A 14 -5.147 -4.785 -10.663 1.00 23.24 O ATOM 0 H ASP A 14 -8.465 -5.953 -7.592 1.00 14.23 H new ATOM 0 HA ASP A 14 -5.875 -6.715 -7.069 1.00 40.32 H new ATOM 0 HB2 ASP A 14 -6.649 -6.876 -9.293 1.00 12.54 H new ATOM 0 HB3 ASP A 14 -7.221 -5.220 -9.324 1.00 12.54 H new ATOM 190 N GLN A 15 -4.406 -4.834 -6.428 1.00 53.22 N ATOM 191 CA GLN A 15 -3.561 -3.751 -5.940 1.00 11.25 C ATOM 192 C GLN A 15 -2.096 -4.011 -6.273 1.00 41.45 C ATOM 193 O GLN A 15 -1.201 -3.666 -5.500 1.00 74.33 O ATOM 194 CB GLN A 15 -3.730 -3.586 -4.428 1.00 55.53 C ATOM 195 CG GLN A 15 -4.997 -2.842 -4.036 1.00 32.43 C ATOM 196 CD GLN A 15 -4.924 -2.262 -2.637 1.00 63.11 C ATOM 197 OE1 GLN A 15 -4.518 -2.939 -1.692 1.00 61.31 O ATOM 198 NE2 GLN A 15 -5.317 -1.001 -2.498 1.00 23.44 N ATOM 0 H GLN A 15 -4.005 -5.765 -6.317 1.00 53.22 H new ATOM 0 HA GLN A 15 -3.870 -2.831 -6.436 1.00 11.25 H new ATOM 0 HB2 GLN A 15 -3.738 -4.571 -3.962 1.00 55.53 H new ATOM 0 HB3 GLN A 15 -2.867 -3.052 -4.030 1.00 55.53 H new ATOM 0 HG2 GLN A 15 -5.177 -2.038 -4.750 1.00 32.43 H new ATOM 0 HG3 GLN A 15 -5.847 -3.521 -4.100 1.00 32.43 H new ATOM 0 HE21 GLN A 15 -5.646 -0.477 -3.309 1.00 23.44 H new ATOM 0 HE22 GLN A 15 -5.289 -0.556 -1.580 1.00 23.44 H new ATOM 207 N CYS A 16 -1.857 -4.621 -7.430 1.00 2.54 N ATOM 208 CA CYS A 16 -0.500 -4.928 -7.867 1.00 14.15 C ATOM 209 C CYS A 16 0.285 -3.649 -8.142 1.00 42.03 C ATOM 210 O CYS A 16 -0.265 -2.548 -8.100 1.00 4.05 O ATOM 211 CB CYS A 16 -0.532 -5.801 -9.123 1.00 12.33 C ATOM 212 SG CYS A 16 -1.432 -7.371 -8.914 1.00 64.22 S ATOM 0 H CYS A 16 -2.586 -4.912 -8.082 1.00 2.54 H new ATOM 0 HA CYS A 16 -0.001 -5.474 -7.066 1.00 14.15 H new ATOM 0 HB2 CYS A 16 -0.992 -5.236 -9.934 1.00 12.33 H new ATOM 0 HB3 CYS A 16 0.492 -6.019 -9.427 1.00 12.33 H new ATOM 217 N CYS A 17 1.574 -3.803 -8.425 1.00 43.44 N ATOM 218 CA CYS A 17 2.437 -2.662 -8.708 1.00 51.22 C ATOM 219 C CYS A 17 2.265 -2.194 -10.151 1.00 22.53 C ATOM 220 O CYS A 17 3.004 -2.612 -11.043 1.00 3.33 O ATOM 221 CB CYS A 17 3.900 -3.026 -8.449 1.00 42.31 C ATOM 222 SG CYS A 17 4.287 -3.351 -6.699 1.00 11.41 S ATOM 0 H CYS A 17 2.044 -4.707 -8.465 1.00 43.44 H new ATOM 0 HA CYS A 17 2.149 -1.847 -8.044 1.00 51.22 H new ATOM 0 HB2 CYS A 17 4.153 -3.909 -9.036 1.00 42.31 H new ATOM 0 HB3 CYS A 17 4.534 -2.214 -8.805 1.00 42.31 H new ATOM 227 N LYS A 18 1.285 -1.325 -10.372 1.00 60.34 N ATOM 228 CA LYS A 18 1.016 -0.799 -11.705 1.00 54.31 C ATOM 229 C LYS A 18 2.291 -0.259 -12.345 1.00 13.12 C ATOM 230 O LYS A 18 2.465 -0.332 -13.561 1.00 63.31 O ATOM 231 CB LYS A 18 -0.040 0.307 -11.635 1.00 71.02 C ATOM 232 CG LYS A 18 -1.422 -0.195 -11.255 1.00 13.01 C ATOM 233 CD LYS A 18 -2.107 -0.882 -12.424 1.00 54.03 C ATOM 234 CE LYS A 18 -2.855 0.115 -13.297 1.00 4.24 C ATOM 235 NZ LYS A 18 -3.715 -0.565 -14.304 1.00 15.24 N ATOM 0 H LYS A 18 0.664 -0.970 -9.645 1.00 60.34 H new ATOM 0 HA LYS A 18 0.639 -1.615 -12.321 1.00 54.31 H new ATOM 0 HB2 LYS A 18 0.278 1.056 -10.909 1.00 71.02 H new ATOM 0 HB3 LYS A 18 -0.097 0.805 -12.603 1.00 71.02 H new ATOM 0 HG2 LYS A 18 -1.340 -0.891 -10.420 1.00 13.01 H new ATOM 0 HG3 LYS A 18 -2.033 0.641 -10.915 1.00 13.01 H new ATOM 0 HD2 LYS A 18 -1.364 -1.407 -13.024 1.00 54.03 H new ATOM 0 HD3 LYS A 18 -2.803 -1.633 -12.049 1.00 54.03 H new ATOM 0 HE2 LYS A 18 -3.471 0.758 -12.668 1.00 4.24 H new ATOM 0 HE3 LYS A 18 -2.139 0.760 -13.807 1.00 4.24 H new ATOM 0 HZ1 LYS A 18 -4.207 0.149 -14.879 1.00 15.24 H new ATOM 0 HZ2 LYS A 18 -3.124 -1.159 -14.921 1.00 15.24 H new ATOM 0 HZ3 LYS A 18 -4.415 -1.161 -13.817 1.00 15.24 H new ATOM 249 N SER A 19 3.179 0.282 -11.518 1.00 4.05 N ATOM 250 CA SER A 19 4.438 0.836 -12.003 1.00 53.23 C ATOM 251 C SER A 19 5.201 -0.193 -12.831 1.00 60.31 C ATOM 252 O SER A 19 5.864 0.149 -13.810 1.00 55.24 O ATOM 253 CB SER A 19 5.300 1.304 -10.830 1.00 0.45 C ATOM 254 OG SER A 19 4.681 2.374 -10.137 1.00 11.42 O ATOM 0 H SER A 19 3.050 0.349 -10.508 1.00 4.05 H new ATOM 0 HA SER A 19 4.209 1.691 -12.639 1.00 53.23 H new ATOM 0 HB2 SER A 19 5.470 0.473 -10.145 1.00 0.45 H new ATOM 0 HB3 SER A 19 6.277 1.620 -11.196 1.00 0.45 H new ATOM 0 HG SER A 19 5.251 2.654 -9.391 1.00 11.42 H new ATOM 260 N SER A 20 5.103 -1.457 -12.430 1.00 13.43 N ATOM 261 CA SER A 20 5.786 -2.537 -13.131 1.00 5.10 C ATOM 262 C SER A 20 4.833 -3.258 -14.079 1.00 62.10 C ATOM 263 O SER A 20 5.059 -4.411 -14.448 1.00 12.05 O ATOM 264 CB SER A 20 6.376 -3.531 -12.129 1.00 22.12 C ATOM 265 OG SER A 20 7.735 -3.235 -11.856 1.00 13.44 O ATOM 0 H SER A 20 4.557 -1.758 -11.623 1.00 13.43 H new ATOM 0 HA SER A 20 6.594 -2.101 -13.719 1.00 5.10 H new ATOM 0 HB2 SER A 20 5.801 -3.503 -11.203 1.00 22.12 H new ATOM 0 HB3 SER A 20 6.294 -4.543 -12.525 1.00 22.12 H new ATOM 0 HG SER A 20 8.088 -3.884 -11.212 1.00 13.44 H new ATOM 271 N LYS A 21 3.766 -2.570 -14.471 1.00 32.54 N ATOM 272 CA LYS A 21 2.777 -3.142 -15.377 1.00 32.33 C ATOM 273 C LYS A 21 2.324 -4.516 -14.891 1.00 51.43 C ATOM 274 O LYS A 21 2.486 -5.517 -15.590 1.00 54.24 O ATOM 275 CB LYS A 21 3.354 -3.254 -16.790 1.00 12.23 C ATOM 276 CG LYS A 21 2.311 -3.116 -17.885 1.00 52.52 C ATOM 277 CD LYS A 21 1.551 -4.414 -18.099 1.00 12.13 C ATOM 278 CE LYS A 21 0.312 -4.486 -17.218 1.00 65.15 C ATOM 279 NZ LYS A 21 -0.926 -4.149 -17.974 1.00 64.33 N ATOM 0 H LYS A 21 3.564 -1.615 -14.175 1.00 32.54 H new ATOM 0 HA LYS A 21 1.912 -2.479 -15.396 1.00 32.33 H new ATOM 0 HB2 LYS A 21 4.114 -2.485 -16.925 1.00 12.23 H new ATOM 0 HB3 LYS A 21 3.853 -4.217 -16.894 1.00 12.23 H new ATOM 0 HG2 LYS A 21 1.611 -2.322 -17.624 1.00 52.52 H new ATOM 0 HG3 LYS A 21 2.796 -2.820 -18.815 1.00 52.52 H new ATOM 0 HD2 LYS A 21 1.260 -4.498 -19.146 1.00 12.13 H new ATOM 0 HD3 LYS A 21 2.204 -5.259 -17.881 1.00 12.13 H new ATOM 0 HE2 LYS A 21 0.221 -5.489 -16.800 1.00 65.15 H new ATOM 0 HE3 LYS A 21 0.423 -3.800 -16.378 1.00 65.15 H new ATOM 0 HZ1 LYS A 21 -1.748 -4.209 -17.339 1.00 64.33 H new ATOM 0 HZ2 LYS A 21 -0.850 -3.183 -18.351 1.00 64.33 H new ATOM 0 HZ3 LYS A 21 -1.046 -4.819 -18.760 1.00 64.33 H new ATOM 293 N LEU A 22 1.755 -4.556 -13.691 1.00 43.15 N ATOM 294 CA LEU A 22 1.277 -5.807 -13.113 1.00 41.11 C ATOM 295 C LEU A 22 -0.198 -5.705 -12.740 1.00 34.33 C ATOM 296 O LEU A 22 -0.655 -4.675 -12.243 1.00 65.23 O ATOM 297 CB LEU A 22 2.104 -6.169 -11.878 1.00 74.40 C ATOM 298 CG LEU A 22 3.610 -6.310 -12.096 1.00 65.24 C ATOM 299 CD1 LEU A 22 4.375 -5.816 -10.878 1.00 51.02 C ATOM 300 CD2 LEU A 22 3.972 -7.756 -12.405 1.00 11.21 C ATOM 0 H LEU A 22 1.614 -3.737 -13.100 1.00 43.15 H new ATOM 0 HA LEU A 22 1.390 -6.592 -13.861 1.00 41.11 H new ATOM 0 HB2 LEU A 22 1.937 -5.406 -11.118 1.00 74.40 H new ATOM 0 HB3 LEU A 22 1.726 -7.109 -11.475 1.00 74.40 H new ATOM 0 HG LEU A 22 3.892 -5.695 -12.951 1.00 65.24 H new ATOM 0 HD11 LEU A 22 5.446 -5.924 -11.052 1.00 51.02 H new ATOM 0 HD12 LEU A 22 4.140 -4.766 -10.702 1.00 51.02 H new ATOM 0 HD13 LEU A 22 4.088 -6.403 -10.005 1.00 51.02 H new ATOM 0 HD21 LEU A 22 5.048 -7.837 -12.557 1.00 11.21 H new ATOM 0 HD22 LEU A 22 3.675 -8.392 -11.571 1.00 11.21 H new ATOM 0 HD23 LEU A 22 3.453 -8.076 -13.308 1.00 11.21 H new ATOM 312 N VAL A 23 -0.940 -6.782 -12.980 1.00 61.01 N ATOM 313 CA VAL A 23 -2.363 -6.816 -12.666 1.00 53.32 C ATOM 314 C VAL A 23 -2.795 -8.209 -12.222 1.00 12.43 C ATOM 315 O VAL A 23 -2.376 -9.214 -12.797 1.00 10.44 O ATOM 316 CB VAL A 23 -3.215 -6.388 -13.876 1.00 11.41 C ATOM 317 CG1 VAL A 23 -4.686 -6.319 -13.496 1.00 33.21 C ATOM 318 CG2 VAL A 23 -2.734 -5.051 -14.420 1.00 3.14 C ATOM 0 H VAL A 23 -0.578 -7.643 -13.391 1.00 61.01 H new ATOM 0 HA VAL A 23 -2.524 -6.112 -11.850 1.00 53.32 H new ATOM 0 HB VAL A 23 -3.102 -7.136 -14.661 1.00 11.41 H new ATOM 0 HG11 VAL A 23 -5.272 -6.015 -14.363 1.00 33.21 H new ATOM 0 HG12 VAL A 23 -5.021 -7.300 -13.157 1.00 33.21 H new ATOM 0 HG13 VAL A 23 -4.821 -5.593 -12.694 1.00 33.21 H new ATOM 0 HG21 VAL A 23 -3.347 -4.764 -15.274 1.00 3.14 H new ATOM 0 HG22 VAL A 23 -2.816 -4.291 -13.643 1.00 3.14 H new ATOM 0 HG23 VAL A 23 -1.694 -5.139 -14.733 1.00 3.14 H new ATOM 328 N CYS A 24 -3.637 -8.261 -11.195 1.00 23.43 N ATOM 329 CA CYS A 24 -4.127 -9.531 -10.672 1.00 1.14 C ATOM 330 C CYS A 24 -5.180 -10.131 -11.599 1.00 11.23 C ATOM 331 O CYS A 24 -6.266 -9.575 -11.763 1.00 71.13 O ATOM 332 CB CYS A 24 -4.714 -9.337 -9.272 1.00 72.12 C ATOM 333 SG CYS A 24 -4.587 -10.806 -8.202 1.00 61.15 S ATOM 0 H CYS A 24 -3.994 -7.439 -10.709 1.00 23.43 H new ATOM 0 HA CYS A 24 -3.285 -10.221 -10.613 1.00 1.14 H new ATOM 0 HB2 CYS A 24 -4.205 -8.503 -8.788 1.00 72.12 H new ATOM 0 HB3 CYS A 24 -5.764 -9.058 -9.365 1.00 72.12 H new ATOM 338 N SER A 25 -4.851 -11.269 -12.201 1.00 43.35 N ATOM 339 CA SER A 25 -5.766 -11.943 -13.115 1.00 11.13 C ATOM 340 C SER A 25 -6.852 -12.688 -12.344 1.00 1.31 C ATOM 341 O SER A 25 -6.630 -13.144 -11.222 1.00 52.31 O ATOM 342 CB SER A 25 -5.000 -12.918 -14.010 1.00 72.43 C ATOM 343 OG SER A 25 -5.616 -13.035 -15.281 1.00 40.13 O ATOM 0 H SER A 25 -3.958 -11.744 -12.072 1.00 43.35 H new ATOM 0 HA SER A 25 -6.241 -11.186 -13.739 1.00 11.13 H new ATOM 0 HB2 SER A 25 -3.972 -12.575 -14.131 1.00 72.43 H new ATOM 0 HB3 SER A 25 -4.956 -13.897 -13.532 1.00 72.43 H new ATOM 0 HG SER A 25 -5.106 -13.663 -15.835 1.00 40.13 H new ATOM 349 N ARG A 26 -8.026 -12.807 -12.955 1.00 13.34 N ATOM 350 CA ARG A 26 -9.148 -13.495 -12.326 1.00 43.34 C ATOM 351 C ARG A 26 -8.974 -15.008 -12.412 1.00 72.24 C ATOM 352 O ARG A 26 -9.479 -15.751 -11.571 1.00 34.15 O ATOM 353 CB ARG A 26 -10.463 -13.083 -12.990 1.00 41.25 C ATOM 354 CG ARG A 26 -10.588 -11.585 -13.217 1.00 30.12 C ATOM 355 CD ARG A 26 -12.044 -11.148 -13.261 1.00 21.11 C ATOM 356 NE ARG A 26 -12.677 -11.480 -14.535 1.00 24.14 N ATOM 357 CZ ARG A 26 -13.896 -11.080 -14.876 1.00 13.42 C ATOM 358 NH1 ARG A 26 -14.611 -10.336 -14.043 1.00 2.25 N ATOM 359 NH2 ARG A 26 -14.404 -11.423 -16.053 1.00 4.50 N ATOM 0 H ARG A 26 -8.225 -12.436 -13.884 1.00 13.34 H new ATOM 0 HA ARG A 26 -9.175 -13.209 -11.275 1.00 43.34 H new ATOM 0 HB2 ARG A 26 -10.553 -13.596 -13.948 1.00 41.25 H new ATOM 0 HB3 ARG A 26 -11.294 -13.418 -12.370 1.00 41.25 H new ATOM 0 HG2 ARG A 26 -10.071 -11.051 -12.420 1.00 30.12 H new ATOM 0 HG3 ARG A 26 -10.098 -11.315 -14.152 1.00 30.12 H new ATOM 0 HD2 ARG A 26 -12.591 -11.627 -12.449 1.00 21.11 H new ATOM 0 HD3 ARG A 26 -12.105 -10.072 -13.095 1.00 21.11 H new ATOM 0 HE ARG A 26 -12.154 -12.051 -15.199 1.00 24.14 H new ATOM 0 HH11 ARG A 26 -14.225 -10.070 -13.137 1.00 2.25 H new ATOM 0 HH12 ARG A 26 -15.547 -10.030 -14.308 1.00 2.25 H new ATOM 0 HH21 ARG A 26 -13.858 -11.995 -16.697 1.00 4.50 H new ATOM 0 HH22 ARG A 26 -15.341 -11.115 -16.313 1.00 4.50 H new ATOM 373 N LYS A 27 -8.257 -15.459 -13.436 1.00 22.00 N ATOM 374 CA LYS A 27 -8.015 -16.883 -13.633 1.00 71.41 C ATOM 375 C LYS A 27 -6.738 -17.322 -12.923 1.00 52.13 C ATOM 376 O LYS A 27 -6.682 -18.402 -12.334 1.00 11.21 O ATOM 377 CB LYS A 27 -7.917 -17.203 -15.126 1.00 64.05 C ATOM 378 CG LYS A 27 -8.310 -18.629 -15.470 1.00 75.05 C ATOM 379 CD LYS A 27 -9.813 -18.831 -15.374 1.00 74.21 C ATOM 380 CE LYS A 27 -10.165 -20.290 -15.123 1.00 4.41 C ATOM 381 NZ LYS A 27 -9.785 -21.157 -16.272 1.00 75.32 N ATOM 0 H LYS A 27 -7.833 -14.858 -14.143 1.00 22.00 H new ATOM 0 HA LYS A 27 -8.854 -17.431 -13.205 1.00 71.41 H new ATOM 0 HB2 LYS A 27 -8.557 -16.515 -15.679 1.00 64.05 H new ATOM 0 HB3 LYS A 27 -6.895 -17.026 -15.460 1.00 64.05 H new ATOM 0 HG2 LYS A 27 -7.974 -18.867 -16.479 1.00 75.05 H new ATOM 0 HG3 LYS A 27 -7.805 -19.320 -14.795 1.00 75.05 H new ATOM 0 HD2 LYS A 27 -10.213 -18.215 -14.568 1.00 74.21 H new ATOM 0 HD3 LYS A 27 -10.286 -18.495 -16.297 1.00 74.21 H new ATOM 0 HE2 LYS A 27 -9.657 -20.637 -14.223 1.00 4.41 H new ATOM 0 HE3 LYS A 27 -11.236 -20.379 -14.939 1.00 4.41 H new ATOM 0 HZ1 LYS A 27 -10.072 -22.137 -16.077 1.00 75.32 H new ATOM 0 HZ2 LYS A 27 -10.262 -20.822 -17.133 1.00 75.32 H new ATOM 0 HZ3 LYS A 27 -8.755 -21.119 -16.410 1.00 75.32 H new ATOM 395 N THR A 28 -5.714 -16.477 -12.982 1.00 4.30 N ATOM 396 CA THR A 28 -4.438 -16.777 -12.345 1.00 3.12 C ATOM 397 C THR A 28 -4.453 -16.385 -10.872 1.00 11.22 C ATOM 398 O THR A 28 -3.789 -17.012 -10.046 1.00 12.41 O ATOM 399 CB THR A 28 -3.275 -16.050 -13.046 1.00 2.32 C ATOM 400 OG1 THR A 28 -3.123 -14.733 -12.504 1.00 42.12 O ATOM 401 CG2 THR A 28 -3.517 -15.962 -14.545 1.00 64.11 C ATOM 0 H THR A 28 -5.743 -15.579 -13.465 1.00 4.30 H new ATOM 0 HA THR A 28 -4.288 -17.853 -12.430 1.00 3.12 H new ATOM 0 HB THR A 28 -2.362 -16.621 -12.874 1.00 2.32 H new ATOM 0 HG1 THR A 28 -2.319 -14.700 -11.945 1.00 42.12 H new ATOM 0 HG21 THR A 28 -2.683 -15.445 -15.019 1.00 64.11 H new ATOM 0 HG22 THR A 28 -3.603 -16.967 -14.959 1.00 64.11 H new ATOM 0 HG23 THR A 28 -4.439 -15.412 -14.733 1.00 64.11 H new ATOM 409 N ARG A 29 -5.215 -15.345 -10.549 1.00 11.10 N ATOM 410 CA ARG A 29 -5.316 -14.869 -9.175 1.00 31.14 C ATOM 411 C ARG A 29 -3.957 -14.408 -8.658 1.00 4.24 C ATOM 412 O ARG A 29 -3.660 -14.528 -7.469 1.00 15.22 O ATOM 413 CB ARG A 29 -5.870 -15.972 -8.270 1.00 53.52 C ATOM 414 CG ARG A 29 -7.364 -16.202 -8.436 1.00 5.23 C ATOM 415 CD ARG A 29 -7.870 -17.276 -7.486 1.00 12.21 C ATOM 416 NE ARG A 29 -7.499 -18.617 -7.928 1.00 71.24 N ATOM 417 CZ ARG A 29 -8.061 -19.727 -7.461 1.00 44.23 C ATOM 418 NH1 ARG A 29 -9.014 -19.655 -6.543 1.00 21.23 N ATOM 419 NH2 ARG A 29 -7.669 -20.911 -7.914 1.00 22.14 N ATOM 0 H ARG A 29 -5.771 -14.816 -11.221 1.00 11.10 H new ATOM 0 HA ARG A 29 -5.998 -14.019 -9.161 1.00 31.14 H new ATOM 0 HB2 ARG A 29 -5.342 -16.902 -8.480 1.00 53.52 H new ATOM 0 HB3 ARG A 29 -5.663 -15.716 -7.231 1.00 53.52 H new ATOM 0 HG2 ARG A 29 -7.899 -15.270 -8.253 1.00 5.23 H new ATOM 0 HG3 ARG A 29 -7.576 -16.495 -9.464 1.00 5.23 H new ATOM 0 HD2 ARG A 29 -7.466 -17.098 -6.490 1.00 12.21 H new ATOM 0 HD3 ARG A 29 -8.955 -17.208 -7.407 1.00 12.21 H new ATOM 0 HE ARG A 29 -6.768 -18.707 -8.634 1.00 71.24 H new ATOM 0 HH11 ARG A 29 -9.318 -18.746 -6.193 1.00 21.23 H new ATOM 0 HH12 ARG A 29 -9.444 -20.508 -6.186 1.00 21.23 H new ATOM 0 HH21 ARG A 29 -6.936 -20.969 -8.621 1.00 22.14 H new ATOM 0 HH22 ARG A 29 -8.101 -21.763 -7.555 1.00 22.14 H new ATOM 433 N TRP A 30 -3.135 -13.881 -9.558 1.00 60.12 N ATOM 434 CA TRP A 30 -1.806 -13.402 -9.193 1.00 75.40 C ATOM 435 C TRP A 30 -1.334 -12.320 -10.158 1.00 24.54 C ATOM 436 O TRP A 30 -1.714 -12.309 -11.329 1.00 34.15 O ATOM 437 CB TRP A 30 -0.810 -14.562 -9.180 1.00 23.51 C ATOM 438 CG TRP A 30 -0.347 -14.964 -10.548 1.00 11.32 C ATOM 439 CD1 TRP A 30 0.322 -14.184 -11.448 1.00 71.41 C ATOM 440 CD2 TRP A 30 -0.521 -16.241 -11.171 1.00 11.10 C ATOM 441 NE1 TRP A 30 0.574 -14.900 -12.593 1.00 62.44 N ATOM 442 CE2 TRP A 30 0.068 -16.165 -12.448 1.00 40.13 C ATOM 443 CE3 TRP A 30 -1.115 -17.442 -10.774 1.00 12.33 C ATOM 444 CZ2 TRP A 30 0.078 -17.244 -13.329 1.00 13.45 C ATOM 445 CZ3 TRP A 30 -1.105 -18.511 -11.649 1.00 20.33 C ATOM 446 CH2 TRP A 30 -0.511 -18.407 -12.914 1.00 33.04 C ATOM 0 H TRP A 30 -3.365 -13.774 -10.546 1.00 60.12 H new ATOM 0 HA TRP A 30 -1.863 -12.971 -8.194 1.00 75.40 H new ATOM 0 HB2 TRP A 30 0.055 -14.282 -8.579 1.00 23.51 H new ATOM 0 HB3 TRP A 30 -1.271 -15.422 -8.693 1.00 23.51 H new ATOM 0 HD1 TRP A 30 0.610 -13.156 -11.284 1.00 71.41 H new ATOM 0 HE1 TRP A 30 1.059 -14.547 -13.418 1.00 62.44 H new ATOM 0 HE3 TRP A 30 -1.574 -17.533 -9.800 1.00 12.33 H new ATOM 0 HZ2 TRP A 30 0.534 -17.165 -14.305 1.00 13.45 H new ATOM 0 HZ3 TRP A 30 -1.563 -19.443 -11.353 1.00 20.33 H new ATOM 0 HH2 TRP A 30 -0.518 -19.262 -13.574 1.00 33.04 H new ATOM 457 N CYS A 31 -0.502 -11.412 -9.659 1.00 65.12 N ATOM 458 CA CYS A 31 0.024 -10.325 -10.477 1.00 34.33 C ATOM 459 C CYS A 31 0.908 -10.865 -11.597 1.00 24.55 C ATOM 460 O CYS A 31 1.985 -11.408 -11.346 1.00 11.11 O ATOM 461 CB CYS A 31 0.819 -9.346 -9.611 1.00 32.11 C ATOM 462 SG CYS A 31 -0.108 -8.692 -8.186 1.00 12.33 S ATOM 0 H CYS A 31 -0.177 -11.407 -8.692 1.00 65.12 H new ATOM 0 HA CYS A 31 -0.820 -9.800 -10.926 1.00 34.33 H new ATOM 0 HB2 CYS A 31 1.717 -9.845 -9.248 1.00 32.11 H new ATOM 0 HB3 CYS A 31 1.147 -8.512 -10.232 1.00 32.11 H new ATOM 467 N LYS A 32 0.447 -10.713 -12.833 1.00 61.02 N ATOM 468 CA LYS A 32 1.195 -11.183 -13.993 1.00 24.21 C ATOM 469 C LYS A 32 1.873 -10.020 -14.711 1.00 73.53 C ATOM 470 O LYS A 32 1.451 -8.871 -14.585 1.00 40.24 O ATOM 471 CB LYS A 32 0.267 -11.922 -14.959 1.00 61.33 C ATOM 472 CG LYS A 32 -0.707 -11.010 -15.684 1.00 74.21 C ATOM 473 CD LYS A 32 -2.053 -11.685 -15.893 1.00 2.21 C ATOM 474 CE LYS A 32 -2.651 -11.329 -17.246 1.00 24.45 C ATOM 475 NZ LYS A 32 -2.398 -12.390 -18.260 1.00 30.34 N ATOM 0 H LYS A 32 -0.442 -10.267 -13.058 1.00 61.02 H new ATOM 0 HA LYS A 32 1.966 -11.870 -13.643 1.00 24.21 H new ATOM 0 HB2 LYS A 32 0.871 -12.453 -15.695 1.00 61.33 H new ATOM 0 HB3 LYS A 32 -0.296 -12.674 -14.406 1.00 61.33 H new ATOM 0 HG2 LYS A 32 -0.844 -10.093 -15.111 1.00 74.21 H new ATOM 0 HG3 LYS A 32 -0.289 -10.723 -16.649 1.00 74.21 H new ATOM 0 HD2 LYS A 32 -1.934 -12.766 -15.819 1.00 2.21 H new ATOM 0 HD3 LYS A 32 -2.739 -11.385 -15.101 1.00 2.21 H new ATOM 0 HE2 LYS A 32 -3.725 -11.177 -17.140 1.00 24.45 H new ATOM 0 HE3 LYS A 32 -2.228 -10.386 -17.593 1.00 24.45 H new ATOM 0 HZ1 LYS A 32 -2.821 -12.110 -19.168 1.00 30.34 H new ATOM 0 HZ2 LYS A 32 -1.373 -12.518 -18.380 1.00 30.34 H new ATOM 0 HZ3 LYS A 32 -2.823 -13.284 -17.941 1.00 30.34 H new ATOM 489 N TRP A 33 2.922 -10.328 -15.465 1.00 4.44 N ATOM 490 CA TRP A 33 3.657 -9.307 -16.204 1.00 73.33 C ATOM 491 C TRP A 33 3.163 -9.218 -17.644 1.00 43.12 C ATOM 492 O TRP A 33 3.380 -10.131 -18.441 1.00 12.43 O ATOM 493 CB TRP A 33 5.155 -9.613 -16.184 1.00 3.33 C ATOM 494 CG TRP A 33 6.013 -8.387 -16.277 1.00 53.22 C ATOM 495 CD1 TRP A 33 5.637 -7.157 -16.736 1.00 53.25 C ATOM 496 CD2 TRP A 33 7.390 -8.274 -15.904 1.00 63.11 C ATOM 497 NE1 TRP A 33 6.698 -6.286 -16.671 1.00 72.23 N ATOM 498 CE2 TRP A 33 7.785 -6.947 -16.163 1.00 51.14 C ATOM 499 CE3 TRP A 33 8.328 -9.164 -15.374 1.00 63.23 C ATOM 500 CZ2 TRP A 33 9.076 -6.492 -15.912 1.00 4.05 C ATOM 501 CZ3 TRP A 33 9.610 -8.711 -15.125 1.00 72.23 C ATOM 502 CH2 TRP A 33 9.974 -7.385 -15.393 1.00 3.10 C ATOM 0 H TRP A 33 3.283 -11.275 -15.581 1.00 4.44 H new ATOM 0 HA TRP A 33 3.483 -8.346 -15.719 1.00 73.33 H new ATOM 0 HB2 TRP A 33 5.397 -10.148 -15.266 1.00 3.33 H new ATOM 0 HB3 TRP A 33 5.394 -10.279 -17.013 1.00 3.33 H new ATOM 0 HD1 TRP A 33 4.651 -6.906 -17.097 1.00 53.25 H new ATOM 0 HE1 TRP A 33 6.679 -5.306 -16.955 1.00 72.23 H new ATOM 0 HE3 TRP A 33 8.056 -10.188 -15.163 1.00 63.23 H new ATOM 0 HZ2 TRP A 33 9.359 -5.471 -16.119 1.00 4.05 H new ATOM 0 HZ3 TRP A 33 10.343 -9.391 -14.717 1.00 72.23 H new ATOM 0 HH2 TRP A 33 10.983 -7.061 -15.186 1.00 3.10 H new ATOM 513 N GLN A 34 2.500 -8.113 -17.970 1.00 61.35 N ATOM 514 CA GLN A 34 1.976 -7.907 -19.315 1.00 41.44 C ATOM 515 C GLN A 34 2.920 -7.037 -20.140 1.00 31.42 C ATOM 516 O GLN A 34 3.595 -6.158 -19.605 1.00 4.22 O ATOM 517 CB GLN A 34 0.592 -7.259 -19.252 1.00 73.12 C ATOM 518 CG GLN A 34 -0.544 -8.219 -19.568 1.00 41.12 C ATOM 519 CD GLN A 34 -0.798 -8.353 -21.057 1.00 10.43 C ATOM 520 OE1 GLN A 34 -0.399 -9.337 -21.680 1.00 52.44 O ATOM 521 NE2 GLN A 34 -1.465 -7.361 -21.635 1.00 52.21 N ATOM 0 H GLN A 34 2.313 -7.348 -17.322 1.00 61.35 H new ATOM 0 HA GLN A 34 1.893 -8.881 -19.798 1.00 41.44 H new ATOM 0 HB2 GLN A 34 0.439 -6.844 -18.256 1.00 73.12 H new ATOM 0 HB3 GLN A 34 0.558 -6.425 -19.953 1.00 73.12 H new ATOM 0 HG2 GLN A 34 -0.312 -9.200 -19.153 1.00 41.12 H new ATOM 0 HG3 GLN A 34 -1.454 -7.873 -19.078 1.00 41.12 H new ATOM 0 HE21 GLN A 34 -1.777 -6.564 -21.080 1.00 52.21 H new ATOM 0 HE22 GLN A 34 -1.666 -7.396 -22.634 1.00 52.21 H new ATOM 530 N ILE A 35 2.962 -7.290 -21.444 1.00 14.14 N ATOM 531 CA ILE A 35 3.822 -6.530 -22.341 1.00 42.43 C ATOM 532 C ILE A 35 3.239 -5.150 -22.625 1.00 13.44 C ATOM 533 O ILE A 35 2.168 -4.802 -22.126 1.00 3.14 O ATOM 534 CB ILE A 35 4.036 -7.268 -23.676 1.00 20.12 C ATOM 535 CG1 ILE A 35 5.063 -6.528 -24.535 1.00 5.35 C ATOM 536 CG2 ILE A 35 2.717 -7.408 -24.421 1.00 40.21 C ATOM 537 CD1 ILE A 35 6.475 -6.617 -23.999 1.00 3.12 C ATOM 0 H ILE A 35 2.410 -8.015 -21.902 1.00 14.14 H new ATOM 0 HA ILE A 35 4.782 -6.420 -21.837 1.00 42.43 H new ATOM 0 HB ILE A 35 4.420 -8.266 -23.464 1.00 20.12 H new ATOM 0 HG12 ILE A 35 5.040 -6.935 -25.546 1.00 5.35 H new ATOM 0 HG13 ILE A 35 4.776 -5.479 -24.607 1.00 5.35 H new ATOM 0 HG21 ILE A 35 2.885 -7.931 -25.362 1.00 40.21 H new ATOM 0 HG22 ILE A 35 2.013 -7.974 -23.811 1.00 40.21 H new ATOM 0 HG23 ILE A 35 2.307 -6.419 -24.624 1.00 40.21 H new ATOM 0 HD11 ILE A 35 7.149 -6.070 -24.658 1.00 3.12 H new ATOM 0 HD12 ILE A 35 6.513 -6.183 -23.000 1.00 3.12 H new ATOM 0 HD13 ILE A 35 6.781 -7.662 -23.953 1.00 3.12 H new TER 549 ILE A 35