USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0448) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.9!) USER MOD Single : A 22 GLN : amide:sc=-0.00502 X(o=-0.005,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -120:sc= -1.21 USER MOD Single : A 35 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.67!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.109 -8.114 -4.694 1.00 22.33 N ATOM 2 CA GLY A 1 -25.337 -7.179 -3.892 1.00 53.22 C ATOM 3 C GLY A 1 -24.644 -6.141 -4.776 1.00 22.04 C ATOM 4 O GLY A 1 -23.977 -6.492 -5.748 1.00 62.24 O ATOM 0 H1 GLY A 1 -26.569 -8.808 -4.071 1.00 22.33 H new ATOM 0 H2 GLY A 1 -26.834 -7.595 -5.230 1.00 22.33 H new ATOM 0 H3 GLY A 1 -25.477 -8.608 -5.355 1.00 22.33 H new ATOM 0 HA2 GLY A 1 -25.993 -6.677 -3.181 1.00 53.22 H new ATOM 0 HA3 GLY A 1 -24.592 -7.722 -3.310 1.00 53.22 H new ATOM 8 N ILE A 2 -24.827 -4.881 -4.408 1.00 41.54 N ATOM 9 CA ILE A 2 -24.227 -3.789 -5.156 1.00 64.21 C ATOM 10 C ILE A 2 -23.520 -2.839 -4.186 1.00 32.53 C ATOM 11 O ILE A 2 -24.161 -2.224 -3.336 1.00 74.50 O ATOM 12 CB ILE A 2 -25.275 -3.101 -6.034 1.00 73.21 C ATOM 13 CG1 ILE A 2 -26.241 -4.124 -6.635 1.00 33.34 C ATOM 14 CG2 ILE A 2 -24.611 -2.239 -7.108 1.00 55.31 C ATOM 15 CD1 ILE A 2 -27.299 -4.548 -5.614 1.00 43.01 C ATOM 0 H ILE A 2 -25.382 -4.592 -3.602 1.00 41.54 H new ATOM 0 HA ILE A 2 -23.469 -4.169 -5.841 1.00 64.21 H new ATOM 0 HB ILE A 2 -25.863 -2.433 -5.405 1.00 73.21 H new ATOM 0 HG12 ILE A 2 -26.728 -3.698 -7.512 1.00 33.34 H new ATOM 0 HG13 ILE A 2 -25.685 -4.999 -6.972 1.00 33.34 H new ATOM 0 HG21 ILE A 2 -25.378 -1.762 -7.717 1.00 55.31 H new ATOM 0 HG22 ILE A 2 -23.998 -1.474 -6.632 1.00 55.31 H new ATOM 0 HG23 ILE A 2 -23.983 -2.866 -7.741 1.00 55.31 H new ATOM 0 HD11 ILE A 2 -27.972 -5.275 -6.068 1.00 43.01 H new ATOM 0 HD12 ILE A 2 -26.811 -4.996 -4.749 1.00 43.01 H new ATOM 0 HD13 ILE A 2 -27.869 -3.675 -5.297 1.00 43.01 H new ATOM 27 N GLY A 3 -22.209 -2.751 -4.346 1.00 44.44 N ATOM 28 CA GLY A 3 -21.408 -1.888 -3.494 1.00 3.31 C ATOM 29 C GLY A 3 -21.112 -0.556 -4.186 1.00 12.44 C ATOM 30 O GLY A 3 -19.959 -0.247 -4.482 1.00 51.11 O ATOM 0 H GLY A 3 -21.681 -3.263 -5.053 1.00 44.44 H new ATOM 0 HA2 GLY A 3 -21.934 -1.706 -2.557 1.00 3.31 H new ATOM 0 HA3 GLY A 3 -20.472 -2.387 -3.242 1.00 3.31 H new ATOM 34 N ALA A 4 -22.175 0.198 -4.426 1.00 25.05 N ATOM 35 CA ALA A 4 -22.045 1.490 -5.079 1.00 42.43 C ATOM 36 C ALA A 4 -20.888 2.264 -4.442 1.00 73.41 C ATOM 37 O ALA A 4 -19.858 2.482 -5.078 1.00 72.12 O ATOM 38 CB ALA A 4 -23.372 2.245 -4.986 1.00 63.33 C ATOM 0 H ALA A 4 -23.130 -0.061 -4.180 1.00 25.05 H new ATOM 0 HA ALA A 4 -21.815 1.364 -6.137 1.00 42.43 H new ATOM 0 HB1 ALA A 4 -23.274 3.214 -5.476 1.00 63.33 H new ATOM 0 HB2 ALA A 4 -24.155 1.667 -5.478 1.00 63.33 H new ATOM 0 HB3 ALA A 4 -23.634 2.393 -3.938 1.00 63.33 H new ATOM 44 N PHE A 5 -21.097 2.657 -3.195 1.00 64.43 N ATOM 45 CA PHE A 5 -20.085 3.402 -2.465 1.00 32.14 C ATOM 46 C PHE A 5 -19.153 2.458 -1.703 1.00 42.00 C ATOM 47 O PHE A 5 -18.221 2.905 -1.036 1.00 55.32 O ATOM 48 CB PHE A 5 -20.820 4.292 -1.462 1.00 24.43 C ATOM 49 CG PHE A 5 -22.205 4.746 -1.930 1.00 13.01 C ATOM 50 CD1 PHE A 5 -22.320 5.744 -2.847 1.00 31.10 C ATOM 51 CD2 PHE A 5 -23.320 4.150 -1.431 1.00 21.41 C ATOM 52 CE1 PHE A 5 -23.604 6.165 -3.281 1.00 31.14 C ATOM 53 CE2 PHE A 5 -24.605 4.570 -1.866 1.00 61.45 C ATOM 54 CZ PHE A 5 -24.720 5.568 -2.782 1.00 3.44 C ATOM 0 H PHE A 5 -21.953 2.474 -2.671 1.00 64.43 H new ATOM 0 HA PHE A 5 -19.480 3.985 -3.159 1.00 32.14 H new ATOM 0 HB2 PHE A 5 -20.925 3.752 -0.521 1.00 24.43 H new ATOM 0 HB3 PHE A 5 -20.210 5.172 -1.258 1.00 24.43 H new ATOM 0 HD1 PHE A 5 -21.434 6.216 -3.245 1.00 31.10 H new ATOM 0 HD2 PHE A 5 -23.229 3.357 -0.704 1.00 21.41 H new ATOM 0 HE1 PHE A 5 -23.695 6.959 -4.007 1.00 31.14 H new ATOM 0 HE2 PHE A 5 -25.491 4.097 -1.469 1.00 61.45 H new ATOM 0 HZ PHE A 5 -25.697 5.887 -3.113 1.00 3.44 H new ATOM 64 N GLY A 6 -19.438 1.170 -1.826 1.00 62.22 N ATOM 65 CA GLY A 6 -18.636 0.159 -1.156 1.00 34.53 C ATOM 66 C GLY A 6 -17.265 0.017 -1.821 1.00 23.51 C ATOM 67 O GLY A 6 -16.256 -0.153 -1.138 1.00 12.14 O ATOM 0 H GLY A 6 -20.212 0.803 -2.379 1.00 62.22 H new ATOM 0 HA2 GLY A 6 -18.509 0.427 -0.107 1.00 34.53 H new ATOM 0 HA3 GLY A 6 -19.157 -0.798 -1.180 1.00 34.53 H new ATOM 71 N LEU A 7 -17.274 0.094 -3.143 1.00 53.45 N ATOM 72 CA LEU A 7 -16.044 -0.024 -3.908 1.00 41.24 C ATOM 73 C LEU A 7 -15.083 1.094 -3.495 1.00 21.31 C ATOM 74 O LEU A 7 -13.867 0.921 -3.542 1.00 11.45 O ATOM 75 CB LEU A 7 -16.344 -0.054 -5.407 1.00 20.12 C ATOM 76 CG LEU A 7 -16.394 -1.439 -6.054 1.00 51.45 C ATOM 77 CD1 LEU A 7 -17.279 -1.431 -7.301 1.00 1.25 C ATOM 78 CD2 LEU A 7 -14.984 -1.954 -6.355 1.00 33.05 C ATOM 0 H LEU A 7 -18.113 0.237 -3.705 1.00 53.45 H new ATOM 0 HA LEU A 7 -15.549 -0.970 -3.688 1.00 41.24 H new ATOM 0 HB2 LEU A 7 -17.302 0.438 -5.575 1.00 20.12 H new ATOM 0 HB3 LEU A 7 -15.586 0.538 -5.921 1.00 20.12 H new ATOM 0 HG LEU A 7 -16.846 -2.131 -5.344 1.00 51.45 H new ATOM 0 HD11 LEU A 7 -17.297 -2.428 -7.741 1.00 1.25 H new ATOM 0 HD12 LEU A 7 -18.292 -1.138 -7.026 1.00 1.25 H new ATOM 0 HD13 LEU A 7 -16.880 -0.722 -8.026 1.00 1.25 H new ATOM 0 HD21 LEU A 7 -15.047 -2.940 -6.815 1.00 33.05 H new ATOM 0 HD22 LEU A 7 -14.484 -1.267 -7.038 1.00 33.05 H new ATOM 0 HD23 LEU A 7 -14.416 -2.022 -5.427 1.00 33.05 H new ATOM 90 N LEU A 8 -15.668 2.215 -3.098 1.00 42.41 N ATOM 91 CA LEU A 8 -14.879 3.362 -2.678 1.00 75.23 C ATOM 92 C LEU A 8 -14.040 2.978 -1.458 1.00 32.32 C ATOM 93 O LEU A 8 -12.969 3.541 -1.234 1.00 13.15 O ATOM 94 CB LEU A 8 -15.781 4.576 -2.447 1.00 2.30 C ATOM 95 CG LEU A 8 -15.562 5.762 -3.388 1.00 24.22 C ATOM 96 CD1 LEU A 8 -14.170 6.366 -3.194 1.00 41.11 C ATOM 97 CD2 LEU A 8 -15.817 5.363 -4.842 1.00 53.14 C ATOM 0 H LEU A 8 -16.678 2.354 -3.058 1.00 42.41 H new ATOM 0 HA LEU A 8 -14.183 3.656 -3.464 1.00 75.23 H new ATOM 0 HB2 LEU A 8 -16.819 4.255 -2.535 1.00 2.30 H new ATOM 0 HB3 LEU A 8 -15.639 4.920 -1.422 1.00 2.30 H new ATOM 0 HG LEU A 8 -16.286 6.536 -3.136 1.00 24.22 H new ATOM 0 HD11 LEU A 8 -14.040 7.207 -3.875 1.00 41.11 H new ATOM 0 HD12 LEU A 8 -14.063 6.712 -2.166 1.00 41.11 H new ATOM 0 HD13 LEU A 8 -13.413 5.610 -3.403 1.00 41.11 H new ATOM 0 HD21 LEU A 8 -15.654 6.225 -5.490 1.00 53.14 H new ATOM 0 HD22 LEU A 8 -15.134 4.562 -5.125 1.00 53.14 H new ATOM 0 HD23 LEU A 8 -16.845 5.017 -4.949 1.00 53.14 H new ATOM 109 N GLY A 9 -14.557 2.021 -0.700 1.00 30.01 N ATOM 110 CA GLY A 9 -13.869 1.556 0.491 1.00 71.34 C ATOM 111 C GLY A 9 -12.908 0.413 0.158 1.00 10.31 C ATOM 112 O GLY A 9 -11.947 0.172 0.887 1.00 0.32 O ATOM 0 H GLY A 9 -15.445 1.555 -0.889 1.00 30.01 H new ATOM 0 HA2 GLY A 9 -13.317 2.381 0.942 1.00 71.34 H new ATOM 0 HA3 GLY A 9 -14.598 1.220 1.228 1.00 71.34 H new ATOM 116 N PHE A 10 -13.200 -0.261 -0.945 1.00 13.14 N ATOM 117 CA PHE A 10 -12.373 -1.372 -1.383 1.00 14.45 C ATOM 118 C PHE A 10 -10.957 -0.902 -1.724 1.00 63.12 C ATOM 119 O PHE A 10 -9.979 -1.552 -1.360 1.00 51.12 O ATOM 120 CB PHE A 10 -13.024 -1.943 -2.645 1.00 12.24 C ATOM 121 CG PHE A 10 -12.705 -3.418 -2.897 1.00 40.11 C ATOM 122 CD1 PHE A 10 -11.414 -3.819 -3.041 1.00 42.32 C ATOM 123 CD2 PHE A 10 -13.713 -4.328 -2.978 1.00 72.33 C ATOM 124 CE1 PHE A 10 -11.117 -5.188 -3.275 1.00 21.44 C ATOM 125 CE2 PHE A 10 -13.416 -5.697 -3.211 1.00 13.03 C ATOM 126 CZ PHE A 10 -12.125 -6.098 -3.355 1.00 11.22 C ATOM 0 H PHE A 10 -13.998 -0.059 -1.548 1.00 13.14 H new ATOM 0 HA PHE A 10 -12.299 -2.116 -0.589 1.00 14.45 H new ATOM 0 HB2 PHE A 10 -14.105 -1.823 -2.570 1.00 12.24 H new ATOM 0 HB3 PHE A 10 -12.698 -1.359 -3.506 1.00 12.24 H new ATOM 0 HD1 PHE A 10 -10.614 -3.096 -2.977 1.00 42.32 H new ATOM 0 HD2 PHE A 10 -14.739 -4.009 -2.865 1.00 72.33 H new ATOM 0 HE1 PHE A 10 -10.091 -5.506 -3.389 1.00 21.44 H new ATOM 0 HE2 PHE A 10 -14.216 -6.420 -3.274 1.00 13.03 H new ATOM 0 HZ PHE A 10 -11.900 -7.139 -3.533 1.00 11.22 H new ATOM 136 N LEU A 11 -10.893 0.225 -2.419 1.00 60.00 N ATOM 137 CA LEU A 11 -9.614 0.790 -2.812 1.00 71.14 C ATOM 138 C LEU A 11 -8.918 1.372 -1.580 1.00 20.11 C ATOM 139 O LEU A 11 -7.735 1.122 -1.354 1.00 53.11 O ATOM 140 CB LEU A 11 -9.800 1.798 -3.947 1.00 4.43 C ATOM 141 CG LEU A 11 -9.704 1.236 -5.367 1.00 33.31 C ATOM 142 CD1 LEU A 11 -8.247 0.997 -5.765 1.00 0.04 C ATOM 143 CD2 LEU A 11 -10.553 -0.029 -5.514 1.00 24.22 C ATOM 0 H LEU A 11 -11.707 0.762 -2.720 1.00 60.00 H new ATOM 0 HA LEU A 11 -8.961 0.014 -3.210 1.00 71.14 H new ATOM 0 HB2 LEU A 11 -10.775 2.271 -3.830 1.00 4.43 H new ATOM 0 HB3 LEU A 11 -9.051 2.582 -3.836 1.00 4.43 H new ATOM 0 HG LEU A 11 -10.108 1.978 -6.056 1.00 33.31 H new ATOM 0 HD11 LEU A 11 -8.207 0.598 -6.778 1.00 0.04 H new ATOM 0 HD12 LEU A 11 -7.700 1.939 -5.725 1.00 0.04 H new ATOM 0 HD13 LEU A 11 -7.794 0.284 -5.076 1.00 0.04 H new ATOM 0 HD21 LEU A 11 -10.467 -0.408 -6.532 1.00 24.22 H new ATOM 0 HD22 LEU A 11 -10.201 -0.787 -4.814 1.00 24.22 H new ATOM 0 HD23 LEU A 11 -11.596 0.206 -5.301 1.00 24.22 H new ATOM 155 N ALA A 12 -9.682 2.137 -0.815 1.00 45.34 N ATOM 156 CA ALA A 12 -9.153 2.757 0.389 1.00 21.33 C ATOM 157 C ALA A 12 -8.446 1.696 1.235 1.00 13.33 C ATOM 158 O ALA A 12 -7.517 2.008 1.979 1.00 21.34 O ATOM 159 CB ALA A 12 -10.288 3.447 1.149 1.00 33.31 C ATOM 0 H ALA A 12 -10.663 2.342 -1.005 1.00 45.34 H new ATOM 0 HA ALA A 12 -8.418 3.521 0.136 1.00 21.33 H new ATOM 0 HB1 ALA A 12 -9.892 3.912 2.052 1.00 33.31 H new ATOM 0 HB2 ALA A 12 -10.738 4.211 0.515 1.00 33.31 H new ATOM 0 HB3 ALA A 12 -11.044 2.710 1.422 1.00 33.31 H new ATOM 165 N ALA A 13 -8.911 0.464 1.093 1.00 31.43 N ATOM 166 CA ALA A 13 -8.335 -0.644 1.834 1.00 13.12 C ATOM 167 C ALA A 13 -7.086 -1.144 1.106 1.00 50.03 C ATOM 168 O ALA A 13 -6.064 -1.415 1.736 1.00 14.51 O ATOM 169 CB ALA A 13 -9.386 -1.743 2.011 1.00 13.43 C ATOM 0 H ALA A 13 -9.681 0.209 0.475 1.00 31.43 H new ATOM 0 HA ALA A 13 -8.030 -0.322 2.830 1.00 13.12 H new ATOM 0 HB1 ALA A 13 -8.953 -2.574 2.567 1.00 13.43 H new ATOM 0 HB2 ALA A 13 -10.240 -1.345 2.559 1.00 13.43 H new ATOM 0 HB3 ALA A 13 -9.715 -2.093 1.032 1.00 13.43 H new ATOM 175 N GLY A 14 -7.208 -1.251 -0.208 1.00 22.23 N ATOM 176 CA GLY A 14 -6.101 -1.714 -1.028 1.00 22.33 C ATOM 177 C GLY A 14 -4.883 -0.804 -0.866 1.00 12.51 C ATOM 178 O GLY A 14 -3.745 -1.271 -0.909 1.00 51.23 O ATOM 0 H GLY A 14 -8.057 -1.025 -0.726 1.00 22.23 H new ATOM 0 HA2 GLY A 14 -5.838 -2.734 -0.748 1.00 22.33 H new ATOM 0 HA3 GLY A 14 -6.404 -1.739 -2.075 1.00 22.33 H new ATOM 182 N SER A 15 -5.160 0.478 -0.685 1.00 22.11 N ATOM 183 CA SER A 15 -4.100 1.458 -0.517 1.00 64.43 C ATOM 184 C SER A 15 -3.231 1.086 0.686 1.00 11.21 C ATOM 185 O SER A 15 -2.114 1.583 0.826 1.00 2.20 O ATOM 186 CB SER A 15 -4.674 2.866 -0.342 1.00 55.31 C ATOM 187 OG SER A 15 -5.011 3.464 -1.591 1.00 72.04 O ATOM 0 H SER A 15 -6.104 0.862 -0.651 1.00 22.11 H new ATOM 0 HA SER A 15 -3.485 1.455 -1.417 1.00 64.43 H new ATOM 0 HB2 SER A 15 -5.562 2.820 0.289 1.00 55.31 H new ATOM 0 HB3 SER A 15 -3.947 3.492 0.175 1.00 55.31 H new ATOM 0 HG SER A 15 -5.375 4.361 -1.437 1.00 72.04 H new ATOM 193 N LYS A 16 -3.775 0.215 1.522 1.00 63.23 N ATOM 194 CA LYS A 16 -3.062 -0.230 2.708 1.00 4.12 C ATOM 195 C LYS A 16 -1.918 -1.156 2.294 1.00 34.11 C ATOM 196 O LYS A 16 -0.771 -0.947 2.686 1.00 73.32 O ATOM 197 CB LYS A 16 -4.031 -0.859 3.711 1.00 41.11 C ATOM 198 CG LYS A 16 -5.135 0.127 4.101 1.00 41.21 C ATOM 199 CD LYS A 16 -5.227 0.273 5.621 1.00 41.01 C ATOM 200 CE LYS A 16 -6.627 0.718 6.045 1.00 34.21 C ATOM 201 NZ LYS A 16 -6.588 2.086 6.608 1.00 20.14 N ATOM 0 H LYS A 16 -4.701 -0.195 1.402 1.00 63.23 H new ATOM 0 HA LYS A 16 -2.613 0.619 3.223 1.00 4.12 H new ATOM 0 HB2 LYS A 16 -4.476 -1.756 3.279 1.00 41.11 H new ATOM 0 HB3 LYS A 16 -3.486 -1.171 4.602 1.00 41.11 H new ATOM 0 HG2 LYS A 16 -4.935 1.099 3.650 1.00 41.21 H new ATOM 0 HG3 LYS A 16 -6.091 -0.217 3.706 1.00 41.21 H new ATOM 0 HD2 LYS A 16 -4.984 -0.677 6.097 1.00 41.01 H new ATOM 0 HD3 LYS A 16 -4.491 0.999 5.965 1.00 41.01 H new ATOM 0 HE2 LYS A 16 -7.299 0.690 5.187 1.00 34.21 H new ATOM 0 HE3 LYS A 16 -7.027 0.025 6.785 1.00 34.21 H new ATOM 0 HZ1 LYS A 16 -7.547 2.372 6.891 1.00 20.14 H new ATOM 0 HZ2 LYS A 16 -5.963 2.102 7.439 1.00 20.14 H new ATOM 0 HZ3 LYS A 16 -6.227 2.747 5.890 1.00 20.14 H new ATOM 214 N LYS A 17 -2.270 -2.162 1.505 1.00 43.13 N ATOM 215 CA LYS A 17 -1.286 -3.121 1.032 1.00 62.34 C ATOM 216 C LYS A 17 -1.269 -3.116 -0.497 1.00 20.40 C ATOM 217 O LYS A 17 -0.303 -2.664 -1.110 1.00 20.31 O ATOM 218 CB LYS A 17 -1.549 -4.501 1.640 1.00 64.33 C ATOM 219 CG LYS A 17 -0.818 -5.593 0.857 1.00 33.54 C ATOM 220 CD LYS A 17 -0.098 -6.557 1.801 1.00 64.03 C ATOM 221 CE LYS A 17 1.217 -7.046 1.189 1.00 31.24 C ATOM 222 NZ LYS A 17 0.957 -7.812 -0.050 1.00 72.33 N ATOM 0 H LYS A 17 -3.222 -2.333 1.182 1.00 43.13 H new ATOM 0 HA LYS A 17 -0.287 -2.837 1.363 1.00 62.34 H new ATOM 0 HB2 LYS A 17 -1.222 -4.513 2.680 1.00 64.33 H new ATOM 0 HB3 LYS A 17 -2.620 -4.704 1.641 1.00 64.33 H new ATOM 0 HG2 LYS A 17 -1.531 -6.144 0.243 1.00 33.54 H new ATOM 0 HG3 LYS A 17 -0.097 -5.138 0.178 1.00 33.54 H new ATOM 0 HD2 LYS A 17 0.101 -6.060 2.751 1.00 64.03 H new ATOM 0 HD3 LYS A 17 -0.742 -7.410 2.016 1.00 64.03 H new ATOM 0 HE2 LYS A 17 1.862 -6.195 0.969 1.00 31.24 H new ATOM 0 HE3 LYS A 17 1.748 -7.672 1.906 1.00 31.24 H new ATOM 0 HZ1 LYS A 17 1.837 -8.264 -0.370 1.00 72.33 H new ATOM 0 HZ2 LYS A 17 0.241 -8.542 0.137 1.00 72.33 H new ATOM 0 HZ3 LYS A 17 0.610 -7.168 -0.790 1.00 72.33 H new HETATM 235 C1 ACA A 18 -0.663 -8.508 -5.316 1.00 52.13 C HETATM 236 O1 ACA A 18 0.480 -8.651 -4.886 1.00 72.01 O HETATM 237 C2 ACA A 18 -1.367 -7.974 -4.130 1.00 33.52 C HETATM 238 C3 ACA A 18 -2.458 -6.988 -4.553 1.00 12.02 C HETATM 239 C4 ACA A 18 -2.084 -5.556 -4.162 1.00 14.51 C HETATM 240 C5 ACA A 18 -2.905 -5.083 -2.961 1.00 35.24 C HETATM 241 C6 ACA A 18 -2.472 -3.685 -2.518 1.00 65.22 C HETATM 242 N6 ACA A 18 -2.350 -3.624 -1.071 1.00 54.22 N HETATM 0 HN61 ACA A 18 -2.547 -4.451 -0.507 1.00 54.22 H new HETATM 0 H62 ACA A 18 -1.518 -3.430 -2.980 1.00 65.22 H new HETATM 0 H61 ACA A 18 -3.199 -2.948 -2.859 1.00 65.22 H new HETATM 0 H52 ACA A 18 -3.964 -5.075 -3.220 1.00 35.24 H new HETATM 0 H51 ACA A 18 -2.785 -5.784 -2.135 1.00 35.24 H new HETATM 0 H42 ACA A 18 -1.022 -5.506 -3.923 1.00 14.51 H new HETATM 0 H41 ACA A 18 -2.252 -4.889 -5.007 1.00 14.51 H new HETATM 0 H32 ACA A 18 -2.609 -7.047 -5.631 1.00 12.02 H new HETATM 0 H31 ACA A 18 -3.403 -7.262 -4.084 1.00 12.02 H new HETATM 0 H22 ACA A 18 -1.809 -8.793 -3.563 1.00 33.52 H new HETATM 0 H21 ACA A 18 -0.655 -7.477 -3.471 1.00 33.52 H new ATOM 254 N LYS A 19 -1.361 -9.458 -5.922 1.00 30.13 N ATOM 255 CA LYS A 19 -0.801 -10.783 -6.127 1.00 70.20 C ATOM 256 C LYS A 19 -0.747 -11.084 -7.626 1.00 4.45 C ATOM 257 O LYS A 19 0.232 -10.754 -8.294 1.00 64.54 O ATOM 258 CB LYS A 19 -1.579 -11.824 -5.318 1.00 3.44 C ATOM 259 CG LYS A 19 -1.089 -13.239 -5.630 1.00 51.52 C ATOM 260 CD LYS A 19 -2.239 -14.245 -5.566 1.00 33.05 C ATOM 261 CE LYS A 19 -2.996 -14.128 -4.242 1.00 30.51 C ATOM 262 NZ LYS A 19 -4.261 -14.895 -4.298 1.00 1.41 N ATOM 0 HA LYS A 19 0.223 -10.825 -5.757 1.00 70.20 H new ATOM 0 HB2 LYS A 19 -1.464 -11.622 -4.253 1.00 3.44 H new ATOM 0 HB3 LYS A 19 -2.642 -11.745 -5.544 1.00 3.44 H new ATOM 0 HG2 LYS A 19 -0.637 -13.261 -6.622 1.00 51.52 H new ATOM 0 HG3 LYS A 19 -0.313 -13.523 -4.920 1.00 51.52 H new ATOM 0 HD2 LYS A 19 -2.923 -14.074 -6.397 1.00 33.05 H new ATOM 0 HD3 LYS A 19 -1.849 -15.257 -5.678 1.00 33.05 H new ATOM 0 HE2 LYS A 19 -2.375 -14.499 -3.427 1.00 30.51 H new ATOM 0 HE3 LYS A 19 -3.208 -13.080 -4.029 1.00 30.51 H new ATOM 0 HZ1 LYS A 19 -4.762 -14.805 -3.391 1.00 1.41 H new ATOM 0 HZ2 LYS A 19 -4.859 -14.523 -5.063 1.00 1.41 H new ATOM 0 HZ3 LYS A 19 -4.051 -15.897 -4.479 1.00 1.41 H new ATOM 275 N ASN A 20 -1.813 -11.705 -8.112 1.00 44.54 N ATOM 276 CA ASN A 20 -1.898 -12.054 -9.519 1.00 31.12 C ATOM 277 C ASN A 20 -1.663 -10.801 -10.365 1.00 1.13 C ATOM 278 O ASN A 20 -1.984 -9.692 -9.941 1.00 11.34 O ATOM 279 CB ASN A 20 -3.282 -12.606 -9.866 1.00 2.42 C ATOM 280 CG ASN A 20 -3.168 -13.898 -10.679 1.00 23.41 C ATOM 281 OD1 ASN A 20 -2.191 -14.623 -10.606 1.00 71.30 O ATOM 282 ND2 ASN A 20 -4.221 -14.142 -11.455 1.00 55.14 N ATOM 0 H ASN A 20 -2.624 -11.975 -7.556 1.00 44.54 H new ATOM 0 HA ASN A 20 -1.144 -12.814 -9.725 1.00 31.12 H new ATOM 0 HB2 ASN A 20 -3.842 -12.796 -8.950 1.00 2.42 H new ATOM 0 HB3 ASN A 20 -3.842 -11.863 -10.434 1.00 2.42 H new ATOM 0 HD21 ASN A 20 -4.243 -14.979 -12.037 1.00 55.14 H new ATOM 0 HD22 ASN A 20 -5.007 -13.492 -11.468 1.00 55.14 H new ATOM 289 N GLU A 21 -1.105 -11.020 -11.546 1.00 12.14 N ATOM 290 CA GLU A 21 -0.823 -9.922 -12.457 1.00 24.44 C ATOM 291 C GLU A 21 -2.128 -9.316 -12.977 1.00 72.05 C ATOM 292 O GLU A 21 -2.198 -8.117 -13.243 1.00 41.55 O ATOM 293 CB GLU A 21 0.068 -10.382 -13.613 1.00 60.43 C ATOM 294 CG GLU A 21 -0.541 -11.591 -14.325 1.00 14.13 C ATOM 295 CD GLU A 21 0.481 -12.721 -14.459 1.00 54.24 C ATOM 296 OE1 GLU A 21 1.684 -12.456 -14.601 1.00 71.22 O ATOM 297 OE2 GLU A 21 -0.013 -13.912 -14.409 1.00 4.12 O ATOM 0 H GLU A 21 -0.840 -11.941 -11.894 1.00 12.14 H new ATOM 0 HA GLU A 21 -0.280 -9.152 -11.909 1.00 24.44 H new ATOM 0 HB2 GLU A 21 0.200 -9.565 -14.323 1.00 60.43 H new ATOM 0 HB3 GLU A 21 1.058 -10.638 -13.235 1.00 60.43 H new ATOM 0 HG2 GLU A 21 -1.409 -11.945 -13.769 1.00 14.13 H new ATOM 0 HG3 GLU A 21 -0.894 -11.296 -15.313 1.00 14.13 H new ATOM 305 N GLN A 22 -3.131 -10.173 -13.108 1.00 4.31 N ATOM 306 CA GLN A 22 -4.429 -9.737 -13.592 1.00 72.43 C ATOM 307 C GLN A 22 -4.838 -8.429 -12.910 1.00 34.41 C ATOM 308 O GLN A 22 -5.088 -7.428 -13.580 1.00 0.13 O ATOM 309 CB GLN A 22 -5.487 -10.822 -13.377 1.00 43.42 C ATOM 310 CG GLN A 22 -6.115 -11.245 -14.706 1.00 13.31 C ATOM 311 CD GLN A 22 -7.413 -10.478 -14.969 1.00 65.23 C ATOM 312 OE1 GLN A 22 -7.419 -9.284 -15.217 1.00 33.04 O ATOM 313 NE2 GLN A 22 -8.509 -11.229 -14.898 1.00 43.31 N ATOM 0 H GLN A 22 -3.070 -11.167 -12.887 1.00 4.31 H new ATOM 0 HA GLN A 22 -4.354 -9.557 -14.664 1.00 72.43 H new ATOM 0 HB2 GLN A 22 -5.033 -11.687 -12.893 1.00 43.42 H new ATOM 0 HB3 GLN A 22 -6.262 -10.452 -12.706 1.00 43.42 H new ATOM 0 HG2 GLN A 22 -5.411 -11.065 -15.518 1.00 13.31 H new ATOM 0 HG3 GLN A 22 -6.318 -12.316 -14.692 1.00 13.31 H new ATOM 0 HE21 GLN A 22 -8.433 -12.224 -14.686 1.00 43.31 H new ATOM 0 HE22 GLN A 22 -9.425 -10.810 -15.056 1.00 43.31 H new ATOM 322 N GLU A 23 -4.895 -8.482 -11.588 1.00 42.30 N ATOM 323 CA GLU A 23 -5.270 -7.314 -10.808 1.00 20.11 C ATOM 324 C GLU A 23 -4.494 -6.085 -11.287 1.00 10.11 C ATOM 325 O GLU A 23 -5.048 -4.990 -11.370 1.00 23.51 O ATOM 326 CB GLU A 23 -5.046 -7.556 -9.315 1.00 41.44 C ATOM 327 CG GLU A 23 -5.886 -6.597 -8.470 1.00 10.23 C ATOM 328 CD GLU A 23 -4.995 -5.673 -7.638 1.00 54.02 C ATOM 329 OE1 GLU A 23 -4.638 -6.016 -6.501 1.00 22.20 O ATOM 330 OE2 GLU A 23 -4.671 -4.564 -8.212 1.00 35.00 O ATOM 0 H GLU A 23 -4.688 -9.315 -11.037 1.00 42.30 H new ATOM 0 HA GLU A 23 -6.334 -7.129 -10.956 1.00 20.11 H new ATOM 0 HB2 GLU A 23 -5.305 -8.586 -9.067 1.00 41.44 H new ATOM 0 HB3 GLU A 23 -3.990 -7.426 -9.077 1.00 41.44 H new ATOM 0 HG2 GLU A 23 -6.527 -6.001 -9.120 1.00 10.23 H new ATOM 0 HG3 GLU A 23 -6.541 -7.166 -7.811 1.00 10.23 H new ATOM 338 N LEU A 24 -3.224 -6.308 -11.591 1.00 20.20 N ATOM 339 CA LEU A 24 -2.367 -5.232 -12.059 1.00 62.02 C ATOM 340 C LEU A 24 -2.962 -4.629 -13.333 1.00 32.22 C ATOM 341 O LEU A 24 -3.136 -3.416 -13.427 1.00 4.14 O ATOM 342 CB LEU A 24 -0.929 -5.727 -12.226 1.00 30.20 C ATOM 343 CG LEU A 24 0.135 -4.982 -11.418 1.00 41.34 C ATOM 344 CD1 LEU A 24 0.488 -3.646 -12.075 1.00 33.22 C ATOM 345 CD2 LEU A 24 -0.304 -4.807 -9.963 1.00 0.44 C ATOM 0 H LEU A 24 -2.768 -7.218 -11.522 1.00 20.20 H new ATOM 0 HA LEU A 24 -2.321 -4.433 -11.319 1.00 62.02 H new ATOM 0 HB2 LEU A 24 -0.894 -6.781 -11.950 1.00 30.20 H new ATOM 0 HB3 LEU A 24 -0.665 -5.665 -13.282 1.00 30.20 H new ATOM 0 HG LEU A 24 1.042 -5.586 -11.410 1.00 41.34 H new ATOM 0 HD11 LEU A 24 1.246 -3.137 -11.480 1.00 33.22 H new ATOM 0 HD12 LEU A 24 0.874 -3.825 -13.079 1.00 33.22 H new ATOM 0 HD13 LEU A 24 -0.404 -3.023 -12.135 1.00 33.22 H new ATOM 0 HD21 LEU A 24 0.470 -4.275 -9.411 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -1.232 -4.236 -9.929 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -0.464 -5.786 -9.511 1.00 0.44 H new ATOM 357 N LEU A 25 -3.258 -5.506 -14.282 1.00 25.22 N ATOM 358 CA LEU A 25 -3.830 -5.075 -15.545 1.00 32.24 C ATOM 359 C LEU A 25 -5.251 -4.560 -15.309 1.00 31.32 C ATOM 360 O LEU A 25 -5.857 -3.966 -16.199 1.00 54.32 O ATOM 361 CB LEU A 25 -3.748 -6.198 -16.581 1.00 14.20 C ATOM 362 CG LEU A 25 -2.345 -6.724 -16.891 1.00 23.20 C ATOM 363 CD1 LEU A 25 -1.291 -5.638 -16.665 1.00 43.11 C ATOM 364 CD2 LEU A 25 -2.044 -7.990 -16.088 1.00 55.02 C ATOM 0 H LEU A 25 -3.112 -6.512 -14.201 1.00 25.22 H new ATOM 0 HA LEU A 25 -3.255 -4.246 -15.959 1.00 32.24 H new ATOM 0 HB2 LEU A 25 -4.358 -7.031 -16.233 1.00 14.20 H new ATOM 0 HB3 LEU A 25 -4.194 -5.842 -17.510 1.00 14.20 H new ATOM 0 HG LEU A 25 -2.307 -6.996 -17.946 1.00 23.20 H new ATOM 0 HD11 LEU A 25 -0.303 -6.037 -16.892 1.00 43.11 H new ATOM 0 HD12 LEU A 25 -1.498 -4.789 -17.316 1.00 43.11 H new ATOM 0 HD13 LEU A 25 -1.321 -5.313 -15.625 1.00 43.11 H new ATOM 0 HD21 LEU A 25 -1.041 -8.343 -16.327 1.00 55.02 H new ATOM 0 HD22 LEU A 25 -2.106 -7.768 -15.023 1.00 55.02 H new ATOM 0 HD23 LEU A 25 -2.770 -8.763 -16.341 1.00 55.02 H new ATOM 376 N GLU A 26 -5.743 -4.807 -14.104 1.00 42.14 N ATOM 377 CA GLU A 26 -7.081 -4.376 -13.738 1.00 31.41 C ATOM 378 C GLU A 26 -7.108 -2.864 -13.509 1.00 63.15 C ATOM 379 O GLU A 26 -8.059 -2.189 -13.900 1.00 71.21 O ATOM 380 CB GLU A 26 -7.581 -5.128 -12.502 1.00 2.13 C ATOM 381 CG GLU A 26 -9.109 -5.175 -12.470 1.00 32.31 C ATOM 382 CD GLU A 26 -9.625 -5.304 -11.035 1.00 43.01 C ATOM 383 OE1 GLU A 26 -10.036 -6.398 -10.620 1.00 25.11 O ATOM 384 OE2 GLU A 26 -9.587 -4.215 -10.343 1.00 33.20 O ATOM 0 H GLU A 26 -5.238 -5.301 -13.368 1.00 42.14 H new ATOM 0 HA GLU A 26 -7.755 -4.610 -14.562 1.00 31.41 H new ATOM 0 HB2 GLU A 26 -7.182 -6.142 -12.503 1.00 2.13 H new ATOM 0 HB3 GLU A 26 -7.210 -4.641 -11.600 1.00 2.13 H new ATOM 0 HG2 GLU A 26 -9.514 -4.271 -12.926 1.00 32.31 H new ATOM 0 HG3 GLU A 26 -9.463 -6.017 -13.064 1.00 32.31 H new ATOM 392 N LEU A 27 -6.052 -2.375 -12.874 1.00 53.40 N ATOM 393 CA LEU A 27 -5.942 -0.955 -12.588 1.00 51.41 C ATOM 394 C LEU A 27 -5.512 -0.215 -13.856 1.00 33.34 C ATOM 395 O LEU A 27 -5.831 0.960 -14.032 1.00 32.14 O ATOM 396 CB LEU A 27 -5.014 -0.719 -11.394 1.00 14.25 C ATOM 397 CG LEU A 27 -5.519 -1.227 -10.042 1.00 13.32 C ATOM 398 CD1 LEU A 27 -5.978 -0.068 -9.157 1.00 2.24 C ATOM 399 CD2 LEU A 27 -6.615 -2.277 -10.226 1.00 75.05 C ATOM 0 H LEU A 27 -5.265 -2.937 -12.550 1.00 53.40 H new ATOM 0 HA LEU A 27 -6.911 -0.550 -12.295 1.00 51.41 H new ATOM 0 HB2 LEU A 27 -4.056 -1.195 -11.604 1.00 14.25 H new ATOM 0 HB3 LEU A 27 -4.827 0.352 -11.311 1.00 14.25 H new ATOM 0 HG LEU A 27 -4.690 -1.714 -9.529 1.00 13.32 H new ATOM 0 HD11 LEU A 27 -6.332 -0.457 -8.202 1.00 2.24 H new ATOM 0 HD12 LEU A 27 -5.143 0.611 -8.985 1.00 2.24 H new ATOM 0 HD13 LEU A 27 -6.787 0.470 -9.652 1.00 2.24 H new ATOM 0 HD21 LEU A 27 -6.956 -2.622 -9.250 1.00 75.05 H new ATOM 0 HD22 LEU A 27 -7.452 -1.838 -10.769 1.00 75.05 H new ATOM 0 HD23 LEU A 27 -6.219 -3.121 -10.791 1.00 75.05 H new ATOM 411 N ASP A 28 -4.795 -0.933 -14.708 1.00 34.14 N ATOM 412 CA ASP A 28 -4.319 -0.360 -15.955 1.00 45.31 C ATOM 413 C ASP A 28 -5.517 0.034 -16.821 1.00 11.14 C ATOM 414 O ASP A 28 -5.390 0.859 -17.725 1.00 13.21 O ATOM 415 CB ASP A 28 -3.479 -1.370 -16.741 1.00 23.20 C ATOM 416 CG ASP A 28 -3.543 -1.219 -18.262 1.00 44.52 C ATOM 417 OD1 ASP A 28 -4.601 -1.409 -18.879 1.00 31.21 O ATOM 418 OD2 ASP A 28 -2.430 -0.885 -18.823 1.00 72.13 O ATOM 0 H ASP A 28 -4.532 -1.907 -14.559 1.00 34.14 H new ATOM 0 HA ASP A 28 -3.706 0.509 -15.714 1.00 45.31 H new ATOM 0 HB2 ASP A 28 -2.440 -1.279 -16.425 1.00 23.20 H new ATOM 0 HB3 ASP A 28 -3.806 -2.376 -16.477 1.00 23.20 H new ATOM 424 N LYS A 29 -6.654 -0.573 -16.514 1.00 63.34 N ATOM 425 CA LYS A 29 -7.873 -0.296 -17.252 1.00 23.25 C ATOM 426 C LYS A 29 -8.465 1.032 -16.773 1.00 42.32 C ATOM 427 O LYS A 29 -9.497 1.473 -17.275 1.00 32.23 O ATOM 428 CB LYS A 29 -8.844 -1.474 -17.147 1.00 4.11 C ATOM 429 CG LYS A 29 -8.283 -2.710 -17.852 1.00 34.44 C ATOM 430 CD LYS A 29 -8.357 -2.554 -19.373 1.00 22.22 C ATOM 431 CE LYS A 29 -7.993 -3.862 -20.077 1.00 61.24 C ATOM 432 NZ LYS A 29 -7.096 -3.601 -21.225 1.00 54.10 N ATOM 0 H LYS A 29 -6.756 -1.256 -15.763 1.00 63.34 H new ATOM 0 HA LYS A 29 -7.656 -0.185 -18.314 1.00 23.25 H new ATOM 0 HB2 LYS A 29 -9.032 -1.703 -16.098 1.00 4.11 H new ATOM 0 HB3 LYS A 29 -9.802 -1.201 -17.590 1.00 4.11 H new ATOM 0 HG2 LYS A 29 -7.248 -2.868 -17.549 1.00 34.44 H new ATOM 0 HG3 LYS A 29 -8.843 -3.594 -17.546 1.00 34.44 H new ATOM 0 HD2 LYS A 29 -9.363 -2.249 -19.662 1.00 22.22 H new ATOM 0 HD3 LYS A 29 -7.679 -1.763 -19.694 1.00 22.22 H new ATOM 0 HE2 LYS A 29 -7.506 -4.537 -19.373 1.00 61.24 H new ATOM 0 HE3 LYS A 29 -8.899 -4.361 -20.422 1.00 61.24 H new ATOM 0 HZ1 LYS A 29 -6.859 -4.500 -21.692 1.00 54.10 H new ATOM 0 HZ2 LYS A 29 -7.574 -2.974 -21.903 1.00 54.10 H new ATOM 0 HZ3 LYS A 29 -6.224 -3.145 -20.888 1.00 54.10 H new ATOM 445 N TRP A 30 -7.784 1.632 -15.808 1.00 61.15 N ATOM 446 CA TRP A 30 -8.228 2.901 -15.256 1.00 61.44 C ATOM 447 C TRP A 30 -8.707 3.778 -16.413 1.00 60.30 C ATOM 448 O TRP A 30 -9.811 4.320 -16.370 1.00 44.41 O ATOM 449 CB TRP A 30 -7.121 3.556 -14.428 1.00 41.13 C ATOM 450 CG TRP A 30 -7.126 3.151 -12.952 1.00 53.21 C ATOM 451 CD1 TRP A 30 -6.098 2.709 -12.214 1.00 5.55 C ATOM 452 CD2 TRP A 30 -8.260 3.169 -12.059 1.00 45.43 C ATOM 453 NE1 TRP A 30 -6.484 2.443 -10.917 1.00 71.43 N ATOM 454 CE2 TRP A 30 -7.840 2.731 -10.819 1.00 1.22 C ATOM 455 CE3 TRP A 30 -9.595 3.543 -12.291 1.00 44.32 C ATOM 456 CZ2 TRP A 30 -8.694 2.626 -9.715 1.00 62.41 C ATOM 457 CZ3 TRP A 30 -10.435 3.433 -11.177 1.00 52.03 C ATOM 458 CH2 TRP A 30 -10.028 2.994 -9.922 1.00 34.22 C ATOM 0 H TRP A 30 -6.928 1.263 -15.394 1.00 61.15 H new ATOM 0 HA TRP A 30 -9.058 2.752 -14.566 1.00 61.44 H new ATOM 0 HB2 TRP A 30 -6.155 3.297 -14.862 1.00 41.13 H new ATOM 0 HB3 TRP A 30 -7.222 4.639 -14.497 1.00 41.13 H new ATOM 0 HD1 TRP A 30 -5.093 2.578 -12.588 1.00 5.55 H new ATOM 0 HE1 TRP A 30 -5.884 2.098 -10.167 1.00 71.43 H new ATOM 0 HE3 TRP A 30 -9.945 3.888 -13.253 1.00 44.32 H new ATOM 0 HZ2 TRP A 30 -8.342 2.279 -8.755 1.00 62.41 H new ATOM 0 HZ3 TRP A 30 -11.472 3.708 -11.301 1.00 52.03 H new ATOM 0 HH2 TRP A 30 -10.738 2.937 -9.111 1.00 34.22 H new ATOM 469 N ALA A 31 -7.855 3.891 -17.421 1.00 15.22 N ATOM 470 CA ALA A 31 -8.178 4.693 -18.589 1.00 4.20 C ATOM 471 C ALA A 31 -9.368 4.069 -19.318 1.00 35.45 C ATOM 472 O ALA A 31 -10.334 4.757 -19.642 1.00 25.03 O ATOM 473 CB ALA A 31 -6.942 4.813 -19.484 1.00 22.44 C ATOM 0 H ALA A 31 -6.941 3.440 -17.453 1.00 15.22 H new ATOM 0 HA ALA A 31 -8.466 5.702 -18.294 1.00 4.20 H new ATOM 0 HB1 ALA A 31 -7.184 5.415 -20.360 1.00 22.44 H new ATOM 0 HB2 ALA A 31 -6.135 5.290 -18.928 1.00 22.44 H new ATOM 0 HB3 ALA A 31 -6.625 3.820 -19.802 1.00 22.44 H new ATOM 479 N SER A 32 -9.260 2.769 -19.556 1.00 21.04 N ATOM 480 CA SER A 32 -10.316 2.044 -20.242 1.00 71.21 C ATOM 481 C SER A 32 -11.683 2.478 -19.707 1.00 50.13 C ATOM 482 O SER A 32 -12.680 2.422 -20.424 1.00 73.31 O ATOM 483 CB SER A 32 -10.139 0.532 -20.081 1.00 34.35 C ATOM 484 OG SER A 32 -8.812 0.115 -20.392 1.00 72.43 O ATOM 0 H SER A 32 -8.458 2.200 -19.286 1.00 21.04 H new ATOM 0 HA SER A 32 -10.258 2.279 -21.305 1.00 71.21 H new ATOM 0 HB2 SER A 32 -10.379 0.246 -19.057 1.00 34.35 H new ATOM 0 HB3 SER A 32 -10.844 0.013 -20.730 1.00 34.35 H new ATOM 0 HG SER A 32 -8.836 -0.526 -21.133 1.00 72.43 H new ATOM 490 N LEU A 33 -11.683 2.900 -18.451 1.00 71.54 N ATOM 491 CA LEU A 33 -12.910 3.343 -17.811 1.00 35.32 C ATOM 492 C LEU A 33 -13.608 4.366 -18.709 1.00 12.52 C ATOM 493 O LEU A 33 -14.765 4.184 -19.083 1.00 73.31 O ATOM 494 CB LEU A 33 -12.624 3.858 -16.400 1.00 2.30 C ATOM 495 CG LEU A 33 -13.840 4.027 -15.487 1.00 64.13 C ATOM 496 CD1 LEU A 33 -14.477 2.673 -15.168 1.00 12.10 C ATOM 497 CD2 LEU A 33 -13.471 4.800 -14.219 1.00 54.21 C ATOM 0 H LEU A 33 -10.853 2.945 -17.860 1.00 71.54 H new ATOM 0 HA LEU A 33 -13.597 2.506 -17.686 1.00 35.32 H new ATOM 0 HB2 LEU A 33 -11.926 3.172 -15.919 1.00 2.30 H new ATOM 0 HB3 LEU A 33 -12.120 4.821 -16.482 1.00 2.30 H new ATOM 0 HG LEU A 33 -14.587 4.618 -16.018 1.00 64.13 H new ATOM 0 HD11 LEU A 33 -15.339 2.821 -14.518 1.00 12.10 H new ATOM 0 HD12 LEU A 33 -14.798 2.195 -16.093 1.00 12.10 H new ATOM 0 HD13 LEU A 33 -13.748 2.037 -14.665 1.00 12.10 H new ATOM 0 HD21 LEU A 33 -14.353 4.906 -13.588 1.00 54.21 H new ATOM 0 HD22 LEU A 33 -12.698 4.258 -13.674 1.00 54.21 H new ATOM 0 HD23 LEU A 33 -13.098 5.788 -14.490 1.00 54.21 H new ATOM 509 N TRP A 34 -12.874 5.422 -19.031 1.00 74.21 N ATOM 510 CA TRP A 34 -13.407 6.474 -19.878 1.00 30.42 C ATOM 511 C TRP A 34 -12.919 6.224 -21.307 1.00 65.32 C ATOM 512 O TRP A 34 -13.724 6.109 -22.231 1.00 70.24 O ATOM 513 CB TRP A 34 -13.019 7.856 -19.347 1.00 13.45 C ATOM 514 CG TRP A 34 -11.510 8.068 -19.211 1.00 33.15 C ATOM 515 CD1 TRP A 34 -10.666 8.595 -20.109 1.00 35.44 C ATOM 516 CD2 TRP A 34 -10.695 7.736 -18.068 1.00 71.13 C ATOM 517 NE1 TRP A 34 -9.372 8.626 -19.630 1.00 33.05 N ATOM 518 CE2 TRP A 34 -9.390 8.087 -18.350 1.00 1.22 C ATOM 519 CE3 TRP A 34 -11.047 7.158 -16.836 1.00 70.13 C ATOM 520 CZ2 TRP A 34 -8.334 7.900 -17.450 1.00 60.20 C ATOM 521 CZ3 TRP A 34 -9.981 6.977 -15.947 1.00 11.21 C ATOM 522 CH2 TRP A 34 -8.662 7.325 -16.216 1.00 31.52 C ATOM 0 H TRP A 34 -11.914 5.571 -18.720 1.00 74.21 H new ATOM 0 HA TRP A 34 -14.497 6.456 -19.874 1.00 30.42 H new ATOM 0 HB2 TRP A 34 -13.424 8.617 -20.014 1.00 13.45 H new ATOM 0 HB3 TRP A 34 -13.486 8.004 -18.373 1.00 13.45 H new ATOM 0 HD1 TRP A 34 -10.961 8.951 -21.085 1.00 35.44 H new ATOM 0 HE1 TRP A 34 -8.553 8.980 -20.125 1.00 33.05 H new ATOM 0 HE3 TRP A 34 -12.061 6.876 -16.594 1.00 70.13 H new ATOM 0 HZ2 TRP A 34 -7.321 8.184 -17.694 1.00 60.20 H new ATOM 0 HZ3 TRP A 34 -10.198 6.536 -14.985 1.00 11.21 H new ATOM 0 HH2 TRP A 34 -7.894 7.153 -15.477 1.00 31.52 H new ATOM 533 N ASN A 35 -11.603 6.148 -21.443 1.00 33.10 N ATOM 534 CA ASN A 35 -10.999 5.913 -22.744 1.00 42.11 C ATOM 535 C ASN A 35 -11.486 4.572 -23.294 1.00 71.43 C ATOM 536 O ASN A 35 -11.873 4.477 -24.458 1.00 42.32 O ATOM 537 CB ASN A 35 -9.473 5.855 -22.640 1.00 63.23 C ATOM 538 CG ASN A 35 -8.847 7.202 -23.007 1.00 0.01 C ATOM 539 OD1 ASN A 35 -9.145 8.233 -22.427 1.00 33.31 O ATOM 540 ND2 ASN A 35 -7.964 7.135 -24.000 1.00 21.24 N ATOM 0 H ASN A 35 -10.939 6.245 -20.675 1.00 33.10 H new ATOM 0 HA ASN A 35 -11.286 6.734 -23.401 1.00 42.11 H new ATOM 0 HB2 ASN A 35 -9.184 5.580 -21.626 1.00 63.23 H new ATOM 0 HB3 ASN A 35 -9.089 5.079 -23.302 1.00 63.23 H new ATOM 0 HD21 ASN A 35 -7.490 7.980 -24.319 1.00 21.24 H new ATOM 0 HD22 ASN A 35 -7.761 6.239 -24.442 1.00 21.24 H new TER 547 ASN A 35