USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=10 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 Set 1.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 29 HIS : no HD1:sc=-0.00506 X(o=-0.0051,f=-0.14) USER MOD Set 2.1: A 26 SER OG : rot -120:sc= 0.1 USER MOD Set 2.2: A 33 LYS NZ :NH3+ 174:sc= 0.0962 (180deg=0) USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :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 45:sc= 0.173 USER MOD Single : A 11 ASN : amide:sc= -2.02! C(o=-2!,f=-2.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= -0.0764 (180deg=-0.506) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.723 1.151 -1.052 1.00 42.04 N ATOM 2 CA GLY A 1 2.084 -0.143 -1.199 1.00 34.41 C ATOM 3 C GLY A 1 3.085 -1.274 -1.322 1.00 64.35 C ATOM 4 O GLY A 1 3.258 -2.063 -0.394 1.00 63.42 O ATOM 0 H1 GLY A 1 1.996 1.890 -0.972 1.00 42.04 H new ATOM 0 H2 GLY A 1 3.313 1.152 -0.196 1.00 42.04 H new ATOM 0 H3 GLY A 1 3.319 1.340 -1.883 1.00 42.04 H new ATOM 0 HA2 GLY A 1 1.438 -0.325 -0.340 1.00 34.41 H new ATOM 0 HA3 GLY A 1 1.444 -0.131 -2.082 1.00 34.41 H new ATOM 8 N ALA A 2 3.746 -1.354 -2.473 1.00 30.51 N ATOM 9 CA ALA A 2 4.736 -2.397 -2.714 1.00 53.14 C ATOM 10 C ALA A 2 5.831 -1.907 -3.656 1.00 12.34 C ATOM 11 O ALA A 2 5.610 -1.759 -4.858 1.00 10.41 O ATOM 12 CB ALA A 2 4.066 -3.639 -3.283 1.00 32.24 C ATOM 0 H ALA A 2 3.614 -0.709 -3.252 1.00 30.51 H new ATOM 0 HA ALA A 2 5.199 -2.651 -1.761 1.00 53.14 H new ATOM 0 HB1 ALA A 2 4.817 -4.410 -3.458 1.00 32.24 H new ATOM 0 HB2 ALA A 2 3.324 -4.009 -2.575 1.00 32.24 H new ATOM 0 HB3 ALA A 2 3.576 -3.389 -4.224 1.00 32.24 H new ATOM 18 N CYS A 3 7.012 -1.656 -3.101 1.00 41.43 N ATOM 19 CA CYS A 3 8.142 -1.181 -3.891 1.00 2.35 C ATOM 20 C CYS A 3 9.465 -1.580 -3.242 1.00 54.20 C ATOM 21 O CYS A 3 9.486 -2.291 -2.236 1.00 41.14 O ATOM 22 CB CYS A 3 8.078 0.340 -4.049 1.00 35.32 C ATOM 23 SG CYS A 3 7.920 1.245 -2.476 1.00 22.12 S ATOM 0 H CYS A 3 7.211 -1.774 -2.108 1.00 41.43 H new ATOM 0 HA CYS A 3 8.085 -1.645 -4.876 1.00 2.35 H new ATOM 0 HB2 CYS A 3 8.978 0.679 -4.562 1.00 35.32 H new ATOM 0 HB3 CYS A 3 7.232 0.593 -4.688 1.00 35.32 H new ATOM 28 N LEU A 4 10.566 -1.117 -3.824 1.00 34.41 N ATOM 29 CA LEU A 4 11.893 -1.425 -3.303 1.00 61.23 C ATOM 30 C LEU A 4 12.569 -0.171 -2.760 1.00 44.51 C ATOM 31 O LEU A 4 12.744 0.813 -3.478 1.00 65.02 O ATOM 32 CB LEU A 4 12.759 -2.052 -4.398 1.00 30.05 C ATOM 33 CG LEU A 4 12.214 -3.330 -5.035 1.00 74.41 C ATOM 34 CD1 LEU A 4 13.010 -3.687 -6.280 1.00 71.55 C ATOM 35 CD2 LEU A 4 12.240 -4.478 -4.036 1.00 13.22 C ATOM 0 H LEU A 4 10.566 -0.527 -4.656 1.00 34.41 H new ATOM 0 HA LEU A 4 11.780 -2.137 -2.485 1.00 61.23 H new ATOM 0 HB2 LEU A 4 12.907 -1.312 -5.185 1.00 30.05 H new ATOM 0 HB3 LEU A 4 13.741 -2.270 -3.977 1.00 30.05 H new ATOM 0 HG LEU A 4 11.179 -3.154 -5.328 1.00 74.41 H new ATOM 0 HD11 LEU A 4 12.608 -4.600 -6.720 1.00 71.55 H new ATOM 0 HD12 LEU A 4 12.939 -2.874 -7.003 1.00 71.55 H new ATOM 0 HD13 LEU A 4 14.055 -3.844 -6.011 1.00 71.55 H new ATOM 0 HD21 LEU A 4 11.848 -5.379 -4.507 1.00 13.22 H new ATOM 0 HD22 LEU A 4 13.265 -4.655 -3.711 1.00 13.22 H new ATOM 0 HD23 LEU A 4 11.625 -4.223 -3.173 1.00 13.22 H new ATOM 47 N GLY A 5 12.950 -0.213 -1.487 1.00 33.33 N ATOM 48 CA GLY A 5 13.605 0.925 -0.869 1.00 54.35 C ATOM 49 C GLY A 5 15.035 1.097 -1.340 1.00 62.52 C ATOM 50 O GLY A 5 15.517 0.331 -2.175 1.00 45.35 O ATOM 0 H GLY A 5 12.817 -1.016 -0.872 1.00 33.33 H new ATOM 0 HA2 GLY A 5 13.041 1.830 -1.092 1.00 54.35 H new ATOM 0 HA3 GLY A 5 13.595 0.802 0.214 1.00 54.35 H new ATOM 54 N PHE A 6 15.716 2.104 -0.805 1.00 10.43 N ATOM 55 CA PHE A 6 17.100 2.376 -1.177 1.00 35.30 C ATOM 56 C PHE A 6 18.020 1.253 -0.706 1.00 14.30 C ATOM 57 O PHE A 6 17.960 0.829 0.447 1.00 14.33 O ATOM 58 CB PHE A 6 17.558 3.709 -0.583 1.00 13.22 C ATOM 59 CG PHE A 6 18.974 4.066 -0.932 1.00 42.14 C ATOM 60 CD1 PHE A 6 19.275 4.649 -2.153 1.00 32.11 C ATOM 61 CD2 PHE A 6 20.005 3.818 -0.041 1.00 3.24 C ATOM 62 CE1 PHE A 6 20.577 4.979 -2.478 1.00 22.13 C ATOM 63 CE2 PHE A 6 21.309 4.146 -0.360 1.00 4.44 C ATOM 64 CZ PHE A 6 21.596 4.726 -1.580 1.00 51.30 C ATOM 0 H PHE A 6 15.332 2.746 -0.112 1.00 10.43 H new ATOM 0 HA PHE A 6 17.153 2.434 -2.264 1.00 35.30 H new ATOM 0 HB2 PHE A 6 16.895 4.500 -0.933 1.00 13.22 H new ATOM 0 HB3 PHE A 6 17.459 3.667 0.502 1.00 13.22 H new ATOM 0 HD1 PHE A 6 18.482 4.848 -2.859 1.00 32.11 H new ATOM 0 HD2 PHE A 6 19.787 3.363 0.914 1.00 3.24 H new ATOM 0 HE1 PHE A 6 20.798 5.434 -3.432 1.00 22.13 H new ATOM 0 HE2 PHE A 6 22.103 3.949 0.345 1.00 4.44 H new ATOM 0 HZ PHE A 6 22.615 4.981 -1.832 1.00 51.30 H new ATOM 74 N GLY A 7 18.871 0.776 -1.609 1.00 21.32 N ATOM 75 CA GLY A 7 19.791 -0.293 -1.268 1.00 23.41 C ATOM 76 C GLY A 7 19.215 -1.667 -1.552 1.00 5.51 C ATOM 77 O GLY A 7 19.712 -2.673 -1.046 1.00 70.43 O ATOM 0 H GLY A 7 18.940 1.111 -2.570 1.00 21.32 H new ATOM 0 HA2 GLY A 7 20.715 -0.166 -1.832 1.00 23.41 H new ATOM 0 HA3 GLY A 7 20.050 -0.222 -0.212 1.00 23.41 H new ATOM 81 N LYS A 8 18.163 -1.709 -2.362 1.00 63.03 N ATOM 82 CA LYS A 8 17.518 -2.968 -2.713 1.00 73.43 C ATOM 83 C LYS A 8 17.935 -3.423 -4.108 1.00 72.42 C ATOM 84 O LYS A 8 18.301 -2.607 -4.954 1.00 23.42 O ATOM 85 CB LYS A 8 15.996 -2.821 -2.647 1.00 51.11 C ATOM 86 CG LYS A 8 15.483 -2.421 -1.275 1.00 13.23 C ATOM 87 CD LYS A 8 15.620 -3.557 -0.275 1.00 2.20 C ATOM 88 CE LYS A 8 14.530 -3.502 0.784 1.00 21.13 C ATOM 89 NZ LYS A 8 15.014 -3.994 2.104 1.00 1.41 N ATOM 0 H LYS A 8 17.739 -0.885 -2.788 1.00 63.03 H new ATOM 0 HA LYS A 8 17.836 -3.723 -1.994 1.00 73.43 H new ATOM 0 HB2 LYS A 8 15.679 -2.075 -3.376 1.00 51.11 H new ATOM 0 HB3 LYS A 8 15.535 -3.765 -2.937 1.00 51.11 H new ATOM 0 HG2 LYS A 8 16.036 -1.552 -0.918 1.00 13.23 H new ATOM 0 HG3 LYS A 8 14.437 -2.125 -1.349 1.00 13.23 H new ATOM 0 HD2 LYS A 8 15.572 -4.512 -0.799 1.00 2.20 H new ATOM 0 HD3 LYS A 8 16.598 -3.505 0.204 1.00 2.20 H new ATOM 0 HE2 LYS A 8 14.175 -2.477 0.887 1.00 21.13 H new ATOM 0 HE3 LYS A 8 13.680 -4.103 0.462 1.00 21.13 H new ATOM 0 HZ1 LYS A 8 14.242 -3.941 2.799 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 15.330 -4.981 2.012 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 15.809 -3.405 2.424 1.00 1.41 H new ATOM 103 N SER A 9 17.875 -4.730 -4.342 1.00 31.51 N ATOM 104 CA SER A 9 18.249 -5.294 -5.634 1.00 13.21 C ATOM 105 C SER A 9 17.075 -5.245 -6.608 1.00 5.50 C ATOM 106 O SER A 9 16.114 -6.003 -6.480 1.00 23.54 O ATOM 107 CB SER A 9 18.726 -6.738 -5.466 1.00 2.53 C ATOM 108 OG SER A 9 17.843 -7.473 -4.637 1.00 24.43 O ATOM 0 H SER A 9 17.571 -5.419 -3.654 1.00 31.51 H new ATOM 0 HA SER A 9 19.063 -4.695 -6.042 1.00 13.21 H new ATOM 0 HB2 SER A 9 18.797 -7.217 -6.443 1.00 2.53 H new ATOM 0 HB3 SER A 9 19.727 -6.746 -5.034 1.00 2.53 H new ATOM 0 HG SER A 9 16.917 -7.290 -4.902 1.00 24.43 H new ATOM 114 N CYS A 10 17.161 -4.345 -7.583 1.00 23.43 N ATOM 115 CA CYS A 10 16.108 -4.195 -8.580 1.00 3.45 C ATOM 116 C CYS A 10 16.623 -4.549 -9.972 1.00 15.01 C ATOM 117 O CYS A 10 17.803 -4.843 -10.152 1.00 44.22 O ATOM 118 CB CYS A 10 15.571 -2.762 -8.572 1.00 21.14 C ATOM 119 SG CYS A 10 16.854 -1.486 -8.779 1.00 2.44 S ATOM 0 H CYS A 10 17.949 -3.709 -7.703 1.00 23.43 H new ATOM 0 HA CYS A 10 15.300 -4.881 -8.326 1.00 3.45 H new ATOM 0 HB2 CYS A 10 14.836 -2.656 -9.370 1.00 21.14 H new ATOM 0 HB3 CYS A 10 15.048 -2.587 -7.632 1.00 21.14 H new ATOM 124 N ASN A 11 15.726 -4.518 -10.953 1.00 65.40 N ATOM 125 CA ASN A 11 16.089 -4.837 -12.329 1.00 40.44 C ATOM 126 C ASN A 11 16.083 -3.582 -13.197 1.00 44.23 C ATOM 127 O ASN A 11 15.189 -2.740 -13.109 1.00 61.25 O ATOM 128 CB ASN A 11 15.123 -5.874 -12.906 1.00 44.34 C ATOM 129 CG ASN A 11 15.697 -6.588 -14.115 1.00 54.43 C ATOM 130 OD1 ASN A 11 16.647 -7.362 -14.000 1.00 52.12 O ATOM 131 ND2 ASN A 11 15.120 -6.329 -15.283 1.00 73.32 N ATOM 0 H ASN A 11 14.744 -4.276 -10.821 1.00 65.40 H new ATOM 0 HA ASN A 11 17.097 -5.251 -12.326 1.00 40.44 H new ATOM 0 HB2 ASN A 11 14.878 -6.607 -12.137 1.00 44.34 H new ATOM 0 HB3 ASN A 11 14.191 -5.383 -13.186 1.00 44.34 H new ATOM 0 HD21 ASN A 11 15.462 -6.779 -16.132 1.00 73.32 H new ATOM 0 HD22 ASN A 11 14.335 -5.680 -15.331 1.00 73.32 H new ATOM 138 N PRO A 12 17.105 -3.452 -14.057 1.00 30.33 N ATOM 139 CA PRO A 12 17.240 -2.304 -14.958 1.00 63.43 C ATOM 140 C PRO A 12 16.186 -2.305 -16.060 1.00 14.24 C ATOM 141 O PRO A 12 15.629 -1.261 -16.399 1.00 51.25 O ATOM 142 CB PRO A 12 18.638 -2.486 -15.556 1.00 53.31 C ATOM 143 CG PRO A 12 18.903 -3.949 -15.463 1.00 11.43 C ATOM 144 CD PRO A 12 18.206 -4.417 -14.215 1.00 3.10 C ATOM 0 HA PRO A 12 17.104 -1.357 -14.435 1.00 63.43 H new ATOM 0 HB2 PRO A 12 18.674 -2.142 -16.590 1.00 53.31 H new ATOM 0 HB3 PRO A 12 19.383 -1.913 -15.003 1.00 53.31 H new ATOM 0 HG2 PRO A 12 18.523 -4.471 -16.341 1.00 11.43 H new ATOM 0 HG3 PRO A 12 19.973 -4.149 -15.411 1.00 11.43 H new ATOM 0 HD2 PRO A 12 17.835 -5.436 -14.320 1.00 3.10 H new ATOM 0 HD3 PRO A 12 18.875 -4.408 -13.354 1.00 3.10 H new ATOM 152 N SER A 13 15.915 -3.482 -16.614 1.00 24.55 N ATOM 153 CA SER A 13 14.929 -3.618 -17.679 1.00 44.33 C ATOM 154 C SER A 13 13.531 -3.282 -17.171 1.00 35.41 C ATOM 155 O SER A 13 12.655 -2.892 -17.942 1.00 61.10 O ATOM 156 CB SER A 13 14.951 -5.039 -18.246 1.00 4.41 C ATOM 157 OG SER A 13 14.888 -5.024 -19.662 1.00 31.25 O ATOM 0 H SER A 13 16.365 -4.356 -16.343 1.00 24.55 H new ATOM 0 HA SER A 13 15.187 -2.915 -18.471 1.00 44.33 H new ATOM 0 HB2 SER A 13 15.860 -5.548 -17.925 1.00 4.41 H new ATOM 0 HB3 SER A 13 14.110 -5.606 -17.847 1.00 4.41 H new ATOM 0 HG SER A 13 14.905 -5.944 -20.000 1.00 31.25 H new ATOM 163 N ASN A 14 13.329 -3.438 -15.866 1.00 73.24 N ATOM 164 CA ASN A 14 12.037 -3.153 -15.253 1.00 55.15 C ATOM 165 C ASN A 14 12.215 -2.486 -13.893 1.00 22.11 C ATOM 166 O ASN A 14 11.882 -3.064 -12.858 1.00 70.23 O ATOM 167 CB ASN A 14 11.226 -4.441 -15.100 1.00 31.41 C ATOM 168 CG ASN A 14 9.731 -4.190 -15.120 1.00 14.40 C ATOM 169 OD1 ASN A 14 9.281 -3.074 -15.382 1.00 42.14 O ATOM 170 ND2 ASN A 14 8.952 -5.229 -14.842 1.00 0.35 N ATOM 0 H ASN A 14 14.044 -3.760 -15.213 1.00 73.24 H new ATOM 0 HA ASN A 14 11.497 -2.467 -15.906 1.00 55.15 H new ATOM 0 HB2 ASN A 14 11.487 -5.129 -15.904 1.00 31.41 H new ATOM 0 HB3 ASN A 14 11.497 -4.928 -14.164 1.00 31.41 H new ATOM 0 HD21 ASN A 14 7.938 -5.120 -14.840 1.00 0.35 H new ATOM 0 HD22 ASN A 14 9.368 -6.136 -14.631 1.00 0.35 H new ATOM 177 N ASP A 15 12.742 -1.267 -13.903 1.00 3.23 N ATOM 178 CA ASP A 15 12.964 -0.520 -12.670 1.00 11.30 C ATOM 179 C ASP A 15 11.702 -0.498 -11.813 1.00 53.25 C ATOM 180 O ASP A 15 10.676 0.048 -12.218 1.00 52.21 O ATOM 181 CB ASP A 15 13.405 0.910 -12.987 1.00 52.12 C ATOM 182 CG ASP A 15 12.416 1.636 -13.878 1.00 44.43 C ATOM 183 OD1 ASP A 15 12.247 1.217 -15.042 1.00 72.24 O ATOM 184 OD2 ASP A 15 11.812 2.624 -13.411 1.00 52.02 O ATOM 0 H ASP A 15 13.024 -0.775 -14.751 1.00 3.23 H new ATOM 0 HA ASP A 15 13.754 -1.020 -12.109 1.00 11.30 H new ATOM 0 HB2 ASP A 15 13.527 1.464 -12.056 1.00 52.12 H new ATOM 0 HB3 ASP A 15 14.380 0.887 -13.474 1.00 52.12 H new ATOM 189 N GLN A 16 11.786 -1.096 -10.630 1.00 33.14 N ATOM 190 CA GLN A 16 10.649 -1.146 -9.717 1.00 62.34 C ATOM 191 C GLN A 16 11.076 -0.794 -8.296 1.00 70.22 C ATOM 192 O GLN A 16 11.224 -1.672 -7.445 1.00 74.24 O ATOM 193 CB GLN A 16 10.010 -2.536 -9.741 1.00 42.12 C ATOM 194 CG GLN A 16 9.517 -2.955 -11.117 1.00 31.24 C ATOM 195 CD GLN A 16 8.087 -3.459 -11.095 1.00 64.42 C ATOM 196 OE1 GLN A 16 7.177 -2.799 -11.596 1.00 75.31 O ATOM 197 NE2 GLN A 16 7.883 -4.635 -10.514 1.00 32.55 N ATOM 0 H GLN A 16 12.628 -1.553 -10.280 1.00 33.14 H new ATOM 0 HA GLN A 16 9.916 -0.411 -10.049 1.00 62.34 H new ATOM 0 HB2 GLN A 16 10.737 -3.267 -9.386 1.00 42.12 H new ATOM 0 HB3 GLN A 16 9.173 -2.554 -9.043 1.00 42.12 H new ATOM 0 HG2 GLN A 16 9.589 -2.107 -11.798 1.00 31.24 H new ATOM 0 HG3 GLN A 16 10.168 -3.736 -11.510 1.00 31.24 H new ATOM 0 HE21 GLN A 16 8.667 -5.148 -10.112 1.00 32.55 H new ATOM 0 HE22 GLN A 16 6.942 -5.026 -10.470 1.00 32.55 H new ATOM 206 N CYS A 17 11.273 0.496 -8.045 1.00 63.34 N ATOM 207 CA CYS A 17 11.684 0.965 -6.728 1.00 21.13 C ATOM 208 C CYS A 17 10.609 1.852 -6.106 1.00 72.34 C ATOM 209 O CYS A 17 9.521 2.010 -6.662 1.00 63.21 O ATOM 210 CB CYS A 17 13.002 1.736 -6.826 1.00 22.43 C ATOM 211 SG CYS A 17 14.437 0.702 -7.261 1.00 64.43 S ATOM 0 H CYS A 17 11.154 1.235 -8.737 1.00 63.34 H new ATOM 0 HA CYS A 17 11.827 0.094 -6.089 1.00 21.13 H new ATOM 0 HB2 CYS A 17 12.895 2.523 -7.572 1.00 22.43 H new ATOM 0 HB3 CYS A 17 13.196 2.225 -5.872 1.00 22.43 H new ATOM 216 N CYS A 18 10.920 2.428 -4.951 1.00 4.44 N ATOM 217 CA CYS A 18 9.982 3.299 -4.252 1.00 45.14 C ATOM 218 C CYS A 18 10.080 4.731 -4.772 1.00 35.22 C ATOM 219 O CYS A 18 11.030 5.451 -4.467 1.00 24.04 O ATOM 220 CB CYS A 18 10.253 3.272 -2.747 1.00 34.32 C ATOM 221 SG CYS A 18 9.907 1.666 -1.958 1.00 41.25 S ATOM 0 H CYS A 18 11.816 2.308 -4.478 1.00 4.44 H new ATOM 0 HA CYS A 18 8.973 2.931 -4.439 1.00 45.14 H new ATOM 0 HB2 CYS A 18 11.297 3.534 -2.572 1.00 34.32 H new ATOM 0 HB3 CYS A 18 9.647 4.039 -2.266 1.00 34.32 H new ATOM 226 N LYS A 19 9.089 5.137 -5.558 1.00 52.23 N ATOM 227 CA LYS A 19 9.060 6.483 -6.120 1.00 32.42 C ATOM 228 C LYS A 19 8.855 7.525 -5.025 1.00 21.30 C ATOM 229 O LYS A 19 9.373 8.638 -5.110 1.00 55.44 O ATOM 230 CB LYS A 19 7.946 6.598 -7.163 1.00 42.02 C ATOM 231 CG LYS A 19 7.960 5.482 -8.194 1.00 1.24 C ATOM 232 CD LYS A 19 9.215 5.529 -9.049 1.00 52.24 C ATOM 233 CE LYS A 19 9.004 4.834 -10.386 1.00 25.44 C ATOM 234 NZ LYS A 19 8.889 3.357 -10.230 1.00 53.12 N ATOM 0 H LYS A 19 8.295 4.553 -5.821 1.00 52.23 H new ATOM 0 HA LYS A 19 10.020 6.670 -6.601 1.00 32.42 H new ATOM 0 HB2 LYS A 19 6.982 6.599 -6.654 1.00 42.02 H new ATOM 0 HB3 LYS A 19 8.037 7.556 -7.675 1.00 42.02 H new ATOM 0 HG2 LYS A 19 7.899 4.518 -7.689 1.00 1.24 H new ATOM 0 HG3 LYS A 19 7.080 5.564 -8.832 1.00 1.24 H new ATOM 0 HD2 LYS A 19 9.503 6.567 -9.218 1.00 52.24 H new ATOM 0 HD3 LYS A 19 10.038 5.053 -8.516 1.00 52.24 H new ATOM 0 HE2 LYS A 19 8.101 5.221 -10.858 1.00 25.44 H new ATOM 0 HE3 LYS A 19 9.836 5.066 -11.051 1.00 25.44 H new ATOM 0 HZ1 LYS A 19 8.746 2.919 -11.163 1.00 53.12 H new ATOM 0 HZ2 LYS A 19 9.761 2.984 -9.803 1.00 53.12 H new ATOM 0 HZ3 LYS A 19 8.080 3.135 -9.616 1.00 53.12 H new ATOM 248 N SER A 20 8.099 7.155 -3.996 1.00 54.24 N ATOM 249 CA SER A 20 7.824 8.059 -2.886 1.00 10.33 C ATOM 250 C SER A 20 9.122 8.552 -2.253 1.00 33.25 C ATOM 251 O SER A 20 9.214 9.697 -1.811 1.00 22.04 O ATOM 252 CB SER A 20 6.962 7.360 -1.832 1.00 45.24 C ATOM 253 OG SER A 20 7.666 6.290 -1.226 1.00 63.14 O ATOM 0 H SER A 20 7.666 6.236 -3.908 1.00 54.24 H new ATOM 0 HA SER A 20 7.281 8.919 -3.276 1.00 10.33 H new ATOM 0 HB2 SER A 20 6.660 8.078 -1.070 1.00 45.24 H new ATOM 0 HB3 SER A 20 6.050 6.984 -2.295 1.00 45.24 H new ATOM 0 HG SER A 20 7.095 5.861 -0.555 1.00 63.14 H new ATOM 259 N SER A 21 10.122 7.678 -2.213 1.00 22.45 N ATOM 260 CA SER A 21 11.414 8.021 -1.630 1.00 63.13 C ATOM 261 C SER A 21 12.397 8.461 -2.711 1.00 3.12 C ATOM 262 O SER A 21 13.610 8.459 -2.500 1.00 41.41 O ATOM 263 CB SER A 21 11.985 6.827 -0.862 1.00 15.11 C ATOM 264 OG SER A 21 11.028 6.296 0.039 1.00 52.23 O ATOM 0 H SER A 21 10.063 6.727 -2.577 1.00 22.45 H new ATOM 0 HA SER A 21 11.264 8.850 -0.939 1.00 63.13 H new ATOM 0 HB2 SER A 21 12.296 6.054 -1.564 1.00 15.11 H new ATOM 0 HB3 SER A 21 12.875 7.135 -0.313 1.00 15.11 H new ATOM 0 HG SER A 21 11.416 5.533 0.516 1.00 52.23 H new ATOM 270 N SER A 22 11.864 8.838 -3.869 1.00 25.13 N ATOM 271 CA SER A 22 12.694 9.277 -4.985 1.00 13.42 C ATOM 272 C SER A 22 13.774 8.246 -5.298 1.00 10.51 C ATOM 273 O SER A 22 14.968 8.532 -5.201 1.00 42.33 O ATOM 274 CB SER A 22 13.338 10.628 -4.668 1.00 4.12 C ATOM 275 OG SER A 22 12.467 11.698 -4.991 1.00 34.42 O ATOM 0 H SER A 22 10.862 8.848 -4.059 1.00 25.13 H new ATOM 0 HA SER A 22 12.055 9.384 -5.861 1.00 13.42 H new ATOM 0 HB2 SER A 22 13.596 10.672 -3.610 1.00 4.12 H new ATOM 0 HB3 SER A 22 14.268 10.731 -5.227 1.00 4.12 H new ATOM 0 HG SER A 22 12.902 12.550 -4.777 1.00 34.42 H new ATOM 281 N LEU A 23 13.346 7.046 -5.673 1.00 41.23 N ATOM 282 CA LEU A 23 14.276 5.971 -6.001 1.00 75.32 C ATOM 283 C LEU A 23 14.148 5.569 -7.467 1.00 61.01 C ATOM 284 O LEU A 23 13.156 5.884 -8.123 1.00 73.22 O ATOM 285 CB LEU A 23 14.020 4.758 -5.104 1.00 42.22 C ATOM 286 CG LEU A 23 14.309 4.952 -3.615 1.00 54.32 C ATOM 287 CD1 LEU A 23 14.033 3.669 -2.847 1.00 5.24 C ATOM 288 CD2 LEU A 23 15.746 5.404 -3.405 1.00 3.32 C ATOM 0 H LEU A 23 12.362 6.793 -5.758 1.00 41.23 H new ATOM 0 HA LEU A 23 15.289 6.335 -5.830 1.00 75.32 H new ATOM 0 HB2 LEU A 23 12.977 4.462 -5.216 1.00 42.22 H new ATOM 0 HB3 LEU A 23 14.627 3.928 -5.467 1.00 42.22 H new ATOM 0 HG LEU A 23 13.646 5.729 -3.234 1.00 54.32 H new ATOM 0 HD11 LEU A 23 14.244 3.826 -1.789 1.00 5.24 H new ATOM 0 HD12 LEU A 23 12.987 3.389 -2.971 1.00 5.24 H new ATOM 0 HD13 LEU A 23 14.670 2.872 -3.230 1.00 5.24 H new ATOM 0 HD21 LEU A 23 15.934 5.537 -2.340 1.00 3.32 H new ATOM 0 HD22 LEU A 23 16.426 4.650 -3.802 1.00 3.32 H new ATOM 0 HD23 LEU A 23 15.910 6.349 -3.923 1.00 3.32 H new ATOM 300 N ALA A 24 15.159 4.870 -7.974 1.00 35.02 N ATOM 301 CA ALA A 24 15.158 4.421 -9.361 1.00 15.34 C ATOM 302 C ALA A 24 16.209 3.341 -9.589 1.00 31.53 C ATOM 303 O ALA A 24 17.234 3.303 -8.907 1.00 53.21 O ATOM 304 CB ALA A 24 15.395 5.597 -10.296 1.00 44.50 C ATOM 0 H ALA A 24 15.989 4.603 -7.445 1.00 35.02 H new ATOM 0 HA ALA A 24 14.180 3.990 -9.577 1.00 15.34 H new ATOM 0 HB1 ALA A 24 15.392 5.247 -11.328 1.00 44.50 H new ATOM 0 HB2 ALA A 24 14.604 6.335 -10.160 1.00 44.50 H new ATOM 0 HB3 ALA A 24 16.359 6.053 -10.070 1.00 44.50 H new ATOM 310 N CYS A 25 15.948 2.462 -10.551 1.00 23.11 N ATOM 311 CA CYS A 25 16.871 1.379 -10.869 1.00 22.04 C ATOM 312 C CYS A 25 17.776 1.761 -12.036 1.00 64.33 C ATOM 313 O CYS A 25 17.318 1.904 -13.170 1.00 31.03 O ATOM 314 CB CYS A 25 16.097 0.103 -11.205 1.00 53.23 C ATOM 315 SG CYS A 25 17.017 -1.434 -10.876 1.00 31.14 S ATOM 0 H CYS A 25 15.104 2.479 -11.124 1.00 23.11 H new ATOM 0 HA CYS A 25 17.494 1.197 -9.993 1.00 22.04 H new ATOM 0 HB2 CYS A 25 15.172 0.090 -10.629 1.00 53.23 H new ATOM 0 HB3 CYS A 25 15.817 0.128 -12.258 1.00 53.23 H new ATOM 320 N SER A 26 19.064 1.924 -11.751 1.00 23.52 N ATOM 321 CA SER A 26 20.034 2.292 -12.776 1.00 31.13 C ATOM 322 C SER A 26 20.701 1.052 -13.363 1.00 71.03 C ATOM 323 O SER A 26 21.015 0.102 -12.646 1.00 30.42 O ATOM 324 CB SER A 26 21.095 3.227 -12.192 1.00 15.12 C ATOM 325 OG SER A 26 21.380 4.293 -13.081 1.00 63.32 O ATOM 0 H SER A 26 19.460 1.807 -10.818 1.00 23.52 H new ATOM 0 HA SER A 26 19.503 2.810 -13.574 1.00 31.13 H new ATOM 0 HB2 SER A 26 20.747 3.627 -11.239 1.00 15.12 H new ATOM 0 HB3 SER A 26 22.007 2.665 -11.988 1.00 15.12 H new ATOM 0 HG SER A 26 22.329 4.270 -13.326 1.00 63.32 H new ATOM 331 N THR A 27 20.915 1.068 -14.675 1.00 52.34 N ATOM 332 CA THR A 27 21.543 -0.054 -15.361 1.00 51.34 C ATOM 333 C THR A 27 23.052 -0.053 -15.148 1.00 63.13 C ATOM 334 O THR A 27 23.761 -0.928 -15.646 1.00 73.34 O ATOM 335 CB THR A 27 21.249 -0.023 -16.873 1.00 63.42 C ATOM 336 OG1 THR A 27 19.876 0.312 -17.099 1.00 13.41 O ATOM 337 CG2 THR A 27 21.559 -1.369 -17.512 1.00 2.13 C ATOM 0 H THR A 27 20.662 1.846 -15.284 1.00 52.34 H new ATOM 0 HA THR A 27 21.119 -0.963 -14.934 1.00 51.34 H new ATOM 0 HB THR A 27 21.887 0.734 -17.329 1.00 63.42 H new ATOM 0 HG1 THR A 27 19.698 0.331 -18.063 1.00 13.41 H new ATOM 0 HG21 THR A 27 21.344 -1.323 -18.580 1.00 2.13 H new ATOM 0 HG22 THR A 27 22.612 -1.608 -17.364 1.00 2.13 H new ATOM 0 HG23 THR A 27 20.943 -2.141 -17.051 1.00 2.13 H new ATOM 345 N LYS A 28 23.540 0.934 -14.404 1.00 53.04 N ATOM 346 CA LYS A 28 24.966 1.048 -14.123 1.00 12.22 C ATOM 347 C LYS A 28 25.322 0.339 -12.820 1.00 74.32 C ATOM 348 O LYS A 28 26.258 -0.460 -12.772 1.00 52.04 O ATOM 349 CB LYS A 28 25.374 2.521 -14.042 1.00 23.22 C ATOM 350 CG LYS A 28 26.211 2.986 -15.221 1.00 71.42 C ATOM 351 CD LYS A 28 27.556 2.279 -15.264 1.00 14.32 C ATOM 352 CE LYS A 28 28.590 2.997 -14.410 1.00 15.21 C ATOM 353 NZ LYS A 28 28.897 2.245 -13.162 1.00 63.01 N ATOM 0 H LYS A 28 22.968 1.667 -13.985 1.00 53.04 H new ATOM 0 HA LYS A 28 25.511 0.570 -14.937 1.00 12.22 H new ATOM 0 HB2 LYS A 28 24.476 3.135 -13.980 1.00 23.22 H new ATOM 0 HB3 LYS A 28 25.935 2.684 -13.122 1.00 23.22 H new ATOM 0 HG2 LYS A 28 25.670 2.798 -16.149 1.00 71.42 H new ATOM 0 HG3 LYS A 28 26.367 4.063 -15.155 1.00 71.42 H new ATOM 0 HD2 LYS A 28 27.441 1.254 -14.913 1.00 14.32 H new ATOM 0 HD3 LYS A 28 27.907 2.225 -16.294 1.00 14.32 H new ATOM 0 HE2 LYS A 28 29.505 3.134 -14.986 1.00 15.21 H new ATOM 0 HE3 LYS A 28 28.223 3.991 -14.154 1.00 15.21 H new ATOM 0 HZ1 LYS A 28 29.605 2.767 -12.608 1.00 63.01 H new ATOM 0 HZ2 LYS A 28 28.029 2.136 -12.600 1.00 63.01 H new ATOM 0 HZ3 LYS A 28 29.271 1.306 -13.406 1.00 63.01 H new ATOM 367 N HIS A 29 24.568 0.634 -11.766 1.00 3.14 N ATOM 368 CA HIS A 29 24.803 0.022 -10.463 1.00 5.44 C ATOM 369 C HIS A 29 23.796 -1.092 -10.196 1.00 65.41 C ATOM 370 O HIS A 29 24.036 -1.977 -9.374 1.00 2.34 O ATOM 371 CB HIS A 29 24.719 1.076 -9.358 1.00 43.31 C ATOM 372 CG HIS A 29 25.789 2.121 -9.444 1.00 51.15 C ATOM 373 ND1 HIS A 29 27.059 1.861 -9.915 1.00 55.35 N ATOM 374 CD2 HIS A 29 25.772 3.435 -9.118 1.00 73.32 C ATOM 375 CE1 HIS A 29 27.777 2.969 -9.874 1.00 14.35 C ATOM 376 NE2 HIS A 29 27.019 3.939 -9.394 1.00 12.00 N ATOM 0 H HIS A 29 23.789 1.293 -11.789 1.00 3.14 H new ATOM 0 HA HIS A 29 25.804 -0.410 -10.468 1.00 5.44 H new ATOM 0 HB2 HIS A 29 23.744 1.561 -9.404 1.00 43.31 H new ATOM 0 HB3 HIS A 29 24.783 0.581 -8.389 1.00 43.31 H new ATOM 0 HD2 HIS A 29 24.934 3.984 -8.716 1.00 73.32 H new ATOM 0 HE1 HIS A 29 28.808 3.066 -10.181 1.00 14.35 H new ATOM 0 HE2 HIS A 29 27.313 4.905 -9.252 1.00 12.00 H new ATOM 384 N LYS A 30 22.668 -1.044 -10.896 1.00 43.23 N ATOM 385 CA LYS A 30 21.624 -2.049 -10.737 1.00 22.04 C ATOM 386 C LYS A 30 21.104 -2.070 -9.303 1.00 32.00 C ATOM 387 O LYS A 30 21.230 -3.074 -8.602 1.00 1.12 O ATOM 388 CB LYS A 30 22.157 -3.432 -11.117 1.00 72.24 C ATOM 389 CG LYS A 30 22.027 -3.748 -12.598 1.00 1.35 C ATOM 390 CD LYS A 30 21.792 -5.230 -12.833 1.00 71.22 C ATOM 391 CE LYS A 30 23.073 -5.939 -13.247 1.00 55.24 C ATOM 392 NZ LYS A 30 23.574 -5.455 -14.564 1.00 15.45 N ATOM 0 H LYS A 30 22.453 -0.319 -11.580 1.00 43.23 H new ATOM 0 HA LYS A 30 20.799 -1.789 -11.401 1.00 22.04 H new ATOM 0 HB2 LYS A 30 23.207 -3.499 -10.830 1.00 72.24 H new ATOM 0 HB3 LYS A 30 21.621 -4.189 -10.544 1.00 72.24 H new ATOM 0 HG2 LYS A 30 21.202 -3.176 -13.022 1.00 1.35 H new ATOM 0 HG3 LYS A 30 22.932 -3.435 -13.119 1.00 1.35 H new ATOM 0 HD2 LYS A 30 21.400 -5.686 -11.924 1.00 71.22 H new ATOM 0 HD3 LYS A 30 21.036 -5.361 -13.607 1.00 71.22 H new ATOM 0 HE2 LYS A 30 23.838 -5.780 -12.487 1.00 55.24 H new ATOM 0 HE3 LYS A 30 22.893 -7.013 -13.299 1.00 55.24 H new ATOM 0 HZ1 LYS A 30 24.125 -6.208 -15.024 1.00 15.45 H new ATOM 0 HZ2 LYS A 30 22.768 -5.198 -15.169 1.00 15.45 H new ATOM 0 HZ3 LYS A 30 24.179 -4.621 -14.420 1.00 15.45 H new ATOM 406 N TRP A 31 20.518 -0.958 -8.875 1.00 2.40 N ATOM 407 CA TRP A 31 19.977 -0.850 -7.525 1.00 2.33 C ATOM 408 C TRP A 31 19.228 0.466 -7.342 1.00 25.22 C ATOM 409 O TRP A 31 19.490 1.443 -8.044 1.00 15.10 O ATOM 410 CB TRP A 31 21.101 -0.959 -6.493 1.00 31.02 C ATOM 411 CG TRP A 31 21.890 0.306 -6.337 1.00 72.15 C ATOM 412 CD1 TRP A 31 22.281 1.155 -7.333 1.00 24.02 C ATOM 413 CD2 TRP A 31 22.384 0.863 -5.115 1.00 23.34 C ATOM 414 NE1 TRP A 31 22.990 2.206 -6.802 1.00 53.23 N ATOM 415 CE2 TRP A 31 23.066 2.051 -5.444 1.00 20.34 C ATOM 416 CE3 TRP A 31 22.316 0.475 -3.774 1.00 31.31 C ATOM 417 CZ2 TRP A 31 23.675 2.850 -4.480 1.00 13.50 C ATOM 418 CZ3 TRP A 31 22.921 1.269 -2.819 1.00 12.42 C ATOM 419 CH2 TRP A 31 23.592 2.447 -3.175 1.00 62.52 C ATOM 0 H TRP A 31 20.405 -0.118 -9.443 1.00 2.40 H new ATOM 0 HA TRP A 31 19.275 -1.670 -7.375 1.00 2.33 H new ATOM 0 HB2 TRP A 31 20.673 -1.233 -5.529 1.00 31.02 H new ATOM 0 HB3 TRP A 31 21.775 -1.765 -6.784 1.00 31.02 H new ATOM 0 HD1 TRP A 31 22.065 1.020 -8.383 1.00 24.02 H new ATOM 0 HE1 TRP A 31 23.394 2.977 -7.334 1.00 53.23 H new ATOM 0 HE3 TRP A 31 21.799 -0.430 -3.489 1.00 31.31 H new ATOM 0 HZ2 TRP A 31 24.195 3.756 -4.753 1.00 13.50 H new ATOM 0 HZ3 TRP A 31 22.876 0.977 -1.780 1.00 12.42 H new ATOM 0 HH2 TRP A 31 24.052 3.048 -2.405 1.00 62.52 H new ATOM 430 N CYS A 32 18.297 0.485 -6.394 1.00 72.45 N ATOM 431 CA CYS A 32 17.510 1.680 -6.119 1.00 54.31 C ATOM 432 C CYS A 32 18.400 2.816 -5.623 1.00 63.24 C ATOM 433 O CYS A 32 18.707 2.906 -4.434 1.00 71.04 O ATOM 434 CB CYS A 32 16.427 1.376 -5.081 1.00 44.02 C ATOM 435 SG CYS A 32 15.281 0.048 -5.570 1.00 73.31 S ATOM 0 H CYS A 32 18.069 -0.315 -5.803 1.00 72.45 H new ATOM 0 HA CYS A 32 17.035 1.993 -7.049 1.00 54.31 H new ATOM 0 HB2 CYS A 32 16.906 1.100 -4.142 1.00 44.02 H new ATOM 0 HB3 CYS A 32 15.855 2.284 -4.892 1.00 44.02 H new ATOM 440 N LYS A 33 18.813 3.681 -6.543 1.00 52.33 N ATOM 441 CA LYS A 33 19.667 4.813 -6.202 1.00 30.42 C ATOM 442 C LYS A 33 18.857 6.103 -6.129 1.00 43.31 C ATOM 443 O LYS A 33 17.914 6.300 -6.896 1.00 30.44 O ATOM 444 CB LYS A 33 20.790 4.960 -7.231 1.00 74.44 C ATOM 445 CG LYS A 33 20.301 4.946 -8.670 1.00 4.54 C ATOM 446 CD LYS A 33 21.173 5.814 -9.562 1.00 53.12 C ATOM 447 CE LYS A 33 22.571 5.234 -9.710 1.00 70.11 C ATOM 448 NZ LYS A 33 23.266 5.762 -10.917 1.00 32.22 N ATOM 0 H LYS A 33 18.570 3.620 -7.532 1.00 52.33 H new ATOM 0 HA LYS A 33 20.104 4.624 -5.222 1.00 30.42 H new ATOM 0 HB2 LYS A 33 21.322 5.893 -7.046 1.00 74.44 H new ATOM 0 HB3 LYS A 33 21.507 4.151 -7.092 1.00 74.44 H new ATOM 0 HG2 LYS A 33 20.300 3.923 -9.045 1.00 4.54 H new ATOM 0 HG3 LYS A 33 19.271 5.301 -8.709 1.00 4.54 H new ATOM 0 HD2 LYS A 33 20.711 5.907 -10.545 1.00 53.12 H new ATOM 0 HD3 LYS A 33 21.237 6.818 -9.143 1.00 53.12 H new ATOM 0 HE2 LYS A 33 23.157 5.469 -8.822 1.00 70.11 H new ATOM 0 HE3 LYS A 33 22.509 4.148 -9.773 1.00 70.11 H new ATOM 0 HZ1 LYS A 33 24.249 5.423 -10.928 1.00 32.22 H new ATOM 0 HZ2 LYS A 33 22.776 5.431 -11.772 1.00 32.22 H new ATOM 0 HZ3 LYS A 33 23.259 6.802 -10.895 1.00 32.22 H new ATOM 462 N TYR A 34 19.233 6.980 -5.205 1.00 15.23 N ATOM 463 CA TYR A 34 18.540 8.252 -5.032 1.00 24.21 C ATOM 464 C TYR A 34 18.581 9.073 -6.317 1.00 54.10 C ATOM 465 O TYR A 34 19.652 9.357 -6.851 1.00 61.54 O ATOM 466 CB TYR A 34 19.168 9.047 -3.886 1.00 24.43 C ATOM 467 CG TYR A 34 18.722 8.588 -2.516 1.00 4.54 C ATOM 468 CD1 TYR A 34 17.374 8.428 -2.220 1.00 61.22 C ATOM 469 CD2 TYR A 34 19.649 8.317 -1.516 1.00 54.42 C ATOM 470 CE1 TYR A 34 16.962 8.010 -0.970 1.00 13.14 C ATOM 471 CE2 TYR A 34 19.245 7.898 -0.263 1.00 65.23 C ATOM 472 CZ TYR A 34 17.901 7.746 0.005 1.00 21.12 C ATOM 473 OH TYR A 34 17.495 7.330 1.252 1.00 24.45 O ATOM 0 H TYR A 34 20.013 6.834 -4.564 1.00 15.23 H new ATOM 0 HA TYR A 34 17.499 8.040 -4.790 1.00 24.21 H new ATOM 0 HB2 TYR A 34 20.253 8.967 -3.951 1.00 24.43 H new ATOM 0 HB3 TYR A 34 18.918 10.101 -4.006 1.00 24.43 H new ATOM 0 HD1 TYR A 34 16.636 8.634 -2.981 1.00 61.22 H new ATOM 0 HD2 TYR A 34 20.702 8.436 -1.722 1.00 54.42 H new ATOM 0 HE1 TYR A 34 15.910 7.890 -0.757 1.00 13.14 H new ATOM 0 HE2 TYR A 34 19.978 7.691 0.503 1.00 65.23 H new ATOM 0 HH TYR A 34 18.280 7.186 1.821 1.00 24.45 H new ATOM 483 N GLU A 35 17.404 9.452 -6.806 1.00 41.15 N ATOM 484 CA GLU A 35 17.304 10.241 -8.029 1.00 24.31 C ATOM 485 C GLU A 35 17.560 11.718 -7.746 1.00 15.35 C ATOM 486 O GLU A 35 16.709 12.411 -7.185 1.00 74.24 O ATOM 487 CB GLU A 35 15.924 10.063 -8.666 1.00 4.24 C ATOM 488 CG GLU A 35 15.815 8.830 -9.546 1.00 75.14 C ATOM 489 CD GLU A 35 14.733 8.961 -10.601 1.00 60.22 C ATOM 490 OE1 GLU A 35 13.577 8.585 -10.314 1.00 60.14 O ATOM 491 OE2 GLU A 35 15.042 9.438 -11.713 1.00 2.44 O ATOM 0 H GLU A 35 16.508 9.226 -6.375 1.00 41.15 H new ATOM 0 HA GLU A 35 18.065 9.885 -8.724 1.00 24.31 H new ATOM 0 HB2 GLU A 35 15.174 10.004 -7.877 1.00 4.24 H new ATOM 0 HB3 GLU A 35 15.691 10.946 -9.261 1.00 4.24 H new ATOM 0 HG2 GLU A 35 16.773 8.650 -10.034 1.00 75.14 H new ATOM 0 HG3 GLU A 35 15.606 7.960 -8.923 1.00 75.14 H new ATOM 498 N LEU A 36 18.737 12.195 -8.136 1.00 33.55 N ATOM 499 CA LEU A 36 19.106 13.590 -7.924 1.00 32.14 C ATOM 500 C LEU A 36 19.044 14.374 -9.231 1.00 21.05 C ATOM 501 O LEU A 36 20.052 14.906 -9.695 1.00 61.44 O ATOM 502 CB LEU A 36 20.511 13.681 -7.327 1.00 2.23 C ATOM 503 CG LEU A 36 20.763 12.844 -6.072 1.00 43.12 C ATOM 504 CD1 LEU A 36 22.232 12.461 -5.972 1.00 53.40 C ATOM 505 CD2 LEU A 36 20.321 13.601 -4.828 1.00 65.02 C ATOM 0 H LEU A 36 19.452 11.636 -8.601 1.00 33.55 H new ATOM 0 HA LEU A 36 18.392 14.027 -7.226 1.00 32.14 H new ATOM 0 HB2 LEU A 36 21.229 13.380 -8.090 1.00 2.23 H new ATOM 0 HB3 LEU A 36 20.717 14.725 -7.090 1.00 2.23 H new ATOM 0 HG LEU A 36 20.174 11.929 -6.144 1.00 43.12 H new ATOM 0 HD11 LEU A 36 22.392 11.866 -5.073 1.00 53.40 H new ATOM 0 HD12 LEU A 36 22.517 11.879 -6.848 1.00 53.40 H new ATOM 0 HD13 LEU A 36 22.841 13.364 -5.923 1.00 53.40 H new ATOM 0 HD21 LEU A 36 20.508 12.990 -3.945 1.00 65.02 H new ATOM 0 HD22 LEU A 36 20.882 14.532 -4.750 1.00 65.02 H new ATOM 0 HD23 LEU A 36 19.256 13.823 -4.897 1.00 65.02 H new TER 517 LEU A 36