USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 250 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot -140:sc= 0 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=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 46:sc= 0.0826 USER MOD Single : A 11 ASN : amide:sc= -1.92! C(o=-1.9!,f=-2.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.024) 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 20 SER OG : rot 180:sc= -0.0131 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc=0.000576 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.899 1.200 -0.758 1.00 2.55 N ATOM 2 CA GLY A 1 2.187 -0.039 -1.005 1.00 60.51 C ATOM 3 C GLY A 1 3.123 -1.204 -1.261 1.00 74.25 C ATOM 4 O GLY A 1 3.287 -2.076 -0.409 1.00 72.41 O ATOM 0 H1 GLY A 1 2.216 1.965 -0.589 1.00 2.55 H new ATOM 0 H2 GLY A 1 3.509 1.089 0.077 1.00 2.55 H new ATOM 0 H3 GLY A 1 3.484 1.435 -1.585 1.00 2.55 H new ATOM 0 HA2 GLY A 1 1.553 -0.267 -0.148 1.00 60.51 H new ATOM 0 HA3 GLY A 1 1.528 0.089 -1.864 1.00 60.51 H new ATOM 8 N ALA A 2 3.736 -1.220 -2.440 1.00 45.31 N ATOM 9 CA ALA A 2 4.661 -2.286 -2.806 1.00 54.22 C ATOM 10 C ALA A 2 5.761 -1.767 -3.725 1.00 42.22 C ATOM 11 O ALA A 2 5.520 -1.477 -4.897 1.00 41.53 O ATOM 12 CB ALA A 2 3.910 -3.429 -3.472 1.00 72.43 C ATOM 0 H ALA A 2 3.609 -0.507 -3.158 1.00 45.31 H new ATOM 0 HA ALA A 2 5.130 -2.656 -1.894 1.00 54.22 H new ATOM 0 HB1 ALA A 2 4.612 -4.218 -3.740 1.00 72.43 H new ATOM 0 HB2 ALA A 2 3.165 -3.825 -2.782 1.00 72.43 H new ATOM 0 HB3 ALA A 2 3.414 -3.063 -4.371 1.00 72.43 H new ATOM 18 N CYS A 3 6.970 -1.651 -3.186 1.00 23.50 N ATOM 19 CA CYS A 3 8.109 -1.166 -3.957 1.00 33.23 C ATOM 20 C CYS A 3 9.424 -1.603 -3.318 1.00 31.01 C ATOM 21 O CYS A 3 9.433 -2.351 -2.339 1.00 44.31 O ATOM 22 CB CYS A 3 8.064 0.359 -4.066 1.00 41.22 C ATOM 23 SG CYS A 3 7.927 1.216 -2.464 1.00 73.14 S ATOM 0 H CYS A 3 7.187 -1.886 -2.217 1.00 23.50 H new ATOM 0 HA CYS A 3 8.050 -1.597 -4.956 1.00 33.23 H new ATOM 0 HB2 CYS A 3 8.965 0.703 -4.574 1.00 41.22 H new ATOM 0 HB3 CYS A 3 7.218 0.643 -4.691 1.00 41.22 H new ATOM 28 N LEU A 4 10.532 -1.131 -3.878 1.00 63.40 N ATOM 29 CA LEU A 4 11.854 -1.472 -3.364 1.00 22.43 C ATOM 30 C LEU A 4 12.566 -0.234 -2.828 1.00 31.33 C ATOM 31 O LEU A 4 12.870 0.693 -3.577 1.00 73.22 O ATOM 32 CB LEU A 4 12.697 -2.124 -4.461 1.00 24.42 C ATOM 33 CG LEU A 4 12.117 -3.392 -5.090 1.00 12.44 C ATOM 34 CD1 LEU A 4 12.902 -3.778 -6.334 1.00 15.22 C ATOM 35 CD2 LEU A 4 12.113 -4.533 -4.083 1.00 65.03 C ATOM 0 H LEU A 4 10.542 -0.511 -4.688 1.00 63.40 H new ATOM 0 HA LEU A 4 11.726 -2.179 -2.544 1.00 22.43 H new ATOM 0 HB2 LEU A 4 12.858 -1.391 -5.252 1.00 24.42 H new ATOM 0 HB3 LEU A 4 13.676 -2.364 -4.045 1.00 24.42 H new ATOM 0 HG LEU A 4 11.087 -3.191 -5.384 1.00 12.44 H new ATOM 0 HD11 LEU A 4 12.475 -4.682 -6.768 1.00 15.22 H new ATOM 0 HD12 LEU A 4 12.852 -2.968 -7.062 1.00 15.22 H new ATOM 0 HD13 LEU A 4 13.942 -3.961 -6.065 1.00 15.22 H new ATOM 0 HD21 LEU A 4 11.697 -5.427 -4.548 1.00 65.03 H new ATOM 0 HD22 LEU A 4 13.134 -4.735 -3.757 1.00 65.03 H new ATOM 0 HD23 LEU A 4 11.505 -4.256 -3.221 1.00 65.03 H new ATOM 47 N GLY A 5 12.831 -0.228 -1.525 1.00 10.33 N ATOM 48 CA GLY A 5 13.507 0.900 -0.911 1.00 10.30 C ATOM 49 C GLY A 5 14.941 1.043 -1.382 1.00 12.13 C ATOM 50 O GLY A 5 15.402 0.279 -2.230 1.00 25.15 O ATOM 0 H GLY A 5 12.590 -0.984 -0.884 1.00 10.33 H new ATOM 0 HA2 GLY A 5 12.960 1.815 -1.138 1.00 10.30 H new ATOM 0 HA3 GLY A 5 13.494 0.782 0.172 1.00 10.30 H new ATOM 54 N PHE A 6 15.647 2.025 -0.832 1.00 42.43 N ATOM 55 CA PHE A 6 17.037 2.268 -1.203 1.00 74.20 C ATOM 56 C PHE A 6 17.931 1.121 -0.740 1.00 50.41 C ATOM 57 O PHE A 6 17.836 0.666 0.399 1.00 52.22 O ATOM 58 CB PHE A 6 17.525 3.586 -0.600 1.00 0.33 C ATOM 59 CG PHE A 6 18.950 3.912 -0.945 1.00 40.11 C ATOM 60 CD1 PHE A 6 19.263 4.524 -2.148 1.00 75.35 C ATOM 61 CD2 PHE A 6 19.977 3.607 -0.066 1.00 51.32 C ATOM 62 CE1 PHE A 6 20.573 4.824 -2.469 1.00 20.20 C ATOM 63 CE2 PHE A 6 21.289 3.905 -0.381 1.00 43.41 C ATOM 64 CZ PHE A 6 21.588 4.515 -1.584 1.00 15.43 C ATOM 0 H PHE A 6 15.280 2.666 -0.128 1.00 42.43 H new ATOM 0 HA PHE A 6 17.092 2.332 -2.290 1.00 74.20 H new ATOM 0 HB2 PHE A 6 16.882 4.395 -0.946 1.00 0.33 H new ATOM 0 HB3 PHE A 6 17.424 3.540 0.484 1.00 0.33 H new ATOM 0 HD1 PHE A 6 18.474 4.769 -2.843 1.00 75.35 H new ATOM 0 HD2 PHE A 6 19.749 3.131 0.876 1.00 51.32 H new ATOM 0 HE1 PHE A 6 20.803 5.300 -3.411 1.00 20.20 H new ATOM 0 HE2 PHE A 6 22.080 3.661 0.313 1.00 43.41 H new ATOM 0 HZ PHE A 6 22.613 4.750 -1.832 1.00 15.43 H new ATOM 74 N GLY A 7 18.800 0.659 -1.634 1.00 24.14 N ATOM 75 CA GLY A 7 19.699 -0.431 -1.299 1.00 51.53 C ATOM 76 C GLY A 7 19.090 -1.790 -1.578 1.00 64.45 C ATOM 77 O GLY A 7 19.568 -2.808 -1.076 1.00 14.02 O ATOM 0 H GLY A 7 18.898 1.019 -2.583 1.00 24.14 H new ATOM 0 HA2 GLY A 7 20.622 -0.326 -1.870 1.00 51.53 H new ATOM 0 HA3 GLY A 7 19.967 -0.366 -0.245 1.00 51.53 H new ATOM 81 N LYS A 8 18.032 -1.810 -2.381 1.00 51.44 N ATOM 82 CA LYS A 8 17.356 -3.054 -2.727 1.00 74.21 C ATOM 83 C LYS A 8 17.765 -3.527 -4.118 1.00 74.44 C ATOM 84 O LYS A 8 18.130 -2.723 -4.975 1.00 52.15 O ATOM 85 CB LYS A 8 15.838 -2.868 -2.666 1.00 31.11 C ATOM 86 CG LYS A 8 15.330 -2.462 -1.293 1.00 52.03 C ATOM 87 CD LYS A 8 15.479 -3.591 -0.287 1.00 40.31 C ATOM 88 CE LYS A 8 15.760 -3.059 1.110 1.00 41.52 C ATOM 89 NZ LYS A 8 15.291 -3.998 2.166 1.00 44.10 N ATOM 0 H LYS A 8 17.624 -0.977 -2.805 1.00 51.44 H new ATOM 0 HA LYS A 8 17.652 -3.813 -2.003 1.00 74.21 H new ATOM 0 HB2 LYS A 8 15.544 -2.110 -3.392 1.00 31.11 H new ATOM 0 HB3 LYS A 8 15.354 -3.798 -2.963 1.00 31.11 H new ATOM 0 HG2 LYS A 8 15.880 -1.588 -0.944 1.00 52.03 H new ATOM 0 HG3 LYS A 8 14.282 -2.172 -1.363 1.00 52.03 H new ATOM 0 HD2 LYS A 8 14.568 -4.190 -0.273 1.00 40.31 H new ATOM 0 HD3 LYS A 8 16.290 -4.251 -0.596 1.00 40.31 H new ATOM 0 HE2 LYS A 8 16.830 -2.888 1.225 1.00 41.52 H new ATOM 0 HE3 LYS A 8 15.268 -2.095 1.237 1.00 41.52 H new ATOM 0 HZ1 LYS A 8 15.501 -3.599 3.103 1.00 44.10 H new ATOM 0 HZ2 LYS A 8 14.265 -4.141 2.072 1.00 44.10 H new ATOM 0 HZ3 LYS A 8 15.779 -4.910 2.061 1.00 44.10 H new ATOM 103 N SER A 9 17.700 -4.837 -4.336 1.00 75.10 N ATOM 104 CA SER A 9 18.065 -5.417 -5.623 1.00 24.22 C ATOM 105 C SER A 9 16.903 -5.333 -6.607 1.00 34.21 C ATOM 106 O SER A 9 15.921 -6.067 -6.490 1.00 71.44 O ATOM 107 CB SER A 9 18.494 -6.875 -5.446 1.00 30.15 C ATOM 108 OG SER A 9 17.645 -7.549 -4.533 1.00 12.13 O ATOM 0 H SER A 9 17.398 -5.516 -3.638 1.00 75.10 H new ATOM 0 HA SER A 9 18.901 -4.846 -6.026 1.00 24.22 H new ATOM 0 HB2 SER A 9 18.473 -7.383 -6.410 1.00 30.15 H new ATOM 0 HB3 SER A 9 19.523 -6.914 -5.088 1.00 30.15 H new ATOM 0 HG SER A 9 16.710 -7.341 -4.741 1.00 12.13 H new ATOM 114 N CYS A 10 17.020 -4.432 -7.577 1.00 24.53 N ATOM 115 CA CYS A 10 15.981 -4.250 -8.582 1.00 74.01 C ATOM 116 C CYS A 10 16.498 -4.611 -9.972 1.00 31.45 C ATOM 117 O CYS A 10 17.672 -4.937 -10.143 1.00 11.34 O ATOM 118 CB CYS A 10 15.480 -2.804 -8.572 1.00 65.12 C ATOM 119 SG CYS A 10 16.798 -1.560 -8.763 1.00 72.43 S ATOM 0 H CYS A 10 17.825 -3.816 -7.688 1.00 24.53 H new ATOM 0 HA CYS A 10 15.154 -4.916 -8.337 1.00 74.01 H new ATOM 0 HB2 CYS A 10 14.755 -2.676 -9.376 1.00 65.12 H new ATOM 0 HB3 CYS A 10 14.954 -2.619 -7.636 1.00 65.12 H new ATOM 124 N ASN A 11 15.612 -4.551 -10.961 1.00 22.33 N ATOM 125 CA ASN A 11 15.979 -4.872 -12.335 1.00 72.33 C ATOM 126 C ASN A 11 16.020 -3.613 -13.196 1.00 11.04 C ATOM 127 O ASN A 11 15.154 -2.743 -13.108 1.00 14.43 O ATOM 128 CB ASN A 11 14.988 -5.876 -12.928 1.00 61.31 C ATOM 129 CG ASN A 11 15.607 -6.720 -14.026 1.00 20.13 C ATOM 130 OD1 ASN A 11 16.587 -7.431 -13.800 1.00 14.30 O ATOM 131 ND2 ASN A 11 15.036 -6.645 -15.222 1.00 45.25 N ATOM 0 H ASN A 11 14.636 -4.283 -10.836 1.00 22.33 H new ATOM 0 HA ASN A 11 16.974 -5.316 -12.324 1.00 72.33 H new ATOM 0 HB2 ASN A 11 14.619 -6.528 -12.137 1.00 61.31 H new ATOM 0 HB3 ASN A 11 14.127 -5.340 -13.327 1.00 61.31 H new ATOM 0 HD21 ASN A 11 15.408 -7.190 -16.000 1.00 45.25 H new ATOM 0 HD22 ASN A 11 14.225 -6.042 -15.363 1.00 45.25 H new ATOM 138 N PRO A 12 17.050 -3.512 -14.049 1.00 21.54 N ATOM 139 CA PRO A 12 17.229 -2.364 -14.942 1.00 73.44 C ATOM 140 C PRO A 12 16.181 -2.323 -16.050 1.00 20.25 C ATOM 141 O PRO A 12 15.665 -1.259 -16.390 1.00 1.43 O ATOM 142 CB PRO A 12 18.623 -2.589 -15.533 1.00 52.55 C ATOM 143 CG PRO A 12 18.839 -4.060 -15.447 1.00 74.14 C ATOM 144 CD PRO A 12 18.120 -4.512 -14.206 1.00 72.25 C ATOM 0 HA PRO A 12 17.122 -1.416 -14.414 1.00 73.44 H new ATOM 0 HB2 PRO A 12 18.676 -2.241 -16.565 1.00 52.55 H new ATOM 0 HB3 PRO A 12 19.383 -2.044 -14.973 1.00 52.55 H new ATOM 0 HG2 PRO A 12 18.447 -4.564 -16.330 1.00 74.14 H new ATOM 0 HG3 PRO A 12 19.902 -4.296 -15.390 1.00 74.14 H new ATOM 0 HD2 PRO A 12 17.716 -5.518 -14.319 1.00 72.25 H new ATOM 0 HD3 PRO A 12 18.783 -4.530 -13.341 1.00 72.25 H new ATOM 152 N SER A 13 15.871 -3.489 -16.608 1.00 52.21 N ATOM 153 CA SER A 13 14.886 -3.585 -17.680 1.00 5.04 C ATOM 154 C SER A 13 13.483 -3.298 -17.155 1.00 72.03 C ATOM 155 O SER A 13 12.586 -2.937 -17.916 1.00 70.42 O ATOM 156 CB SER A 13 14.931 -4.975 -18.318 1.00 55.40 C ATOM 157 OG SER A 13 14.420 -4.945 -19.640 1.00 24.12 O ATOM 0 H SER A 13 16.287 -4.380 -16.336 1.00 52.21 H new ATOM 0 HA SER A 13 15.132 -2.838 -18.435 1.00 5.04 H new ATOM 0 HB2 SER A 13 15.958 -5.340 -18.330 1.00 55.40 H new ATOM 0 HB3 SER A 13 14.351 -5.674 -17.716 1.00 55.40 H new ATOM 0 HG SER A 13 14.461 -5.844 -20.027 1.00 24.12 H new ATOM 163 N ASN A 14 13.301 -3.461 -15.849 1.00 21.42 N ATOM 164 CA ASN A 14 12.007 -3.221 -15.221 1.00 51.21 C ATOM 165 C ASN A 14 12.175 -2.500 -13.887 1.00 31.21 C ATOM 166 O ASN A 14 11.899 -3.062 -12.827 1.00 32.30 O ATOM 167 CB ASN A 14 11.266 -4.543 -15.010 1.00 13.52 C ATOM 168 CG ASN A 14 9.759 -4.369 -15.024 1.00 22.21 C ATOM 169 OD1 ASN A 14 9.072 -4.740 -14.072 1.00 74.24 O ATOM 170 ND2 ASN A 14 9.239 -3.803 -16.107 1.00 30.23 N ATOM 0 H ASN A 14 14.034 -3.758 -15.205 1.00 21.42 H new ATOM 0 HA ASN A 14 11.421 -2.586 -15.885 1.00 51.21 H new ATOM 0 HB2 ASN A 14 11.555 -5.247 -15.790 1.00 13.52 H new ATOM 0 HB3 ASN A 14 11.570 -4.979 -14.058 1.00 13.52 H new ATOM 0 HD21 ASN A 14 8.231 -3.660 -16.174 1.00 30.23 H new ATOM 0 HD22 ASN A 14 9.847 -3.511 -16.872 1.00 30.23 H new ATOM 177 N ASP A 15 12.629 -1.253 -13.948 1.00 34.14 N ATOM 178 CA ASP A 15 12.832 -0.454 -12.745 1.00 21.13 C ATOM 179 C ASP A 15 11.590 -0.479 -11.860 1.00 11.34 C ATOM 180 O ASP A 15 10.532 0.017 -12.246 1.00 32.02 O ATOM 181 CB ASP A 15 13.180 0.988 -13.117 1.00 74.03 C ATOM 182 CG ASP A 15 12.915 1.959 -11.983 1.00 73.24 C ATOM 183 OD1 ASP A 15 13.249 1.626 -10.827 1.00 12.12 O ATOM 184 OD2 ASP A 15 12.374 3.052 -12.253 1.00 21.43 O ATOM 0 H ASP A 15 12.863 -0.774 -14.817 1.00 34.14 H new ATOM 0 HA ASP A 15 13.662 -0.887 -12.187 1.00 21.13 H new ATOM 0 HB2 ASP A 15 14.231 1.043 -13.401 1.00 74.03 H new ATOM 0 HB3 ASP A 15 12.598 1.285 -13.989 1.00 74.03 H new ATOM 189 N GLN A 16 11.727 -1.060 -10.672 1.00 1.50 N ATOM 190 CA GLN A 16 10.615 -1.150 -9.733 1.00 51.04 C ATOM 191 C GLN A 16 11.067 -0.802 -8.319 1.00 13.11 C ATOM 192 O GLN A 16 11.257 -1.685 -7.482 1.00 3.43 O ATOM 193 CB GLN A 16 10.013 -2.556 -9.758 1.00 14.14 C ATOM 194 CG GLN A 16 9.522 -2.984 -11.131 1.00 55.32 C ATOM 195 CD GLN A 16 8.015 -3.142 -11.189 1.00 70.20 C ATOM 196 OE1 GLN A 16 7.283 -2.169 -11.374 1.00 65.14 O ATOM 197 NE2 GLN A 16 7.542 -4.373 -11.031 1.00 4.05 N ATOM 0 H GLN A 16 12.597 -1.475 -10.337 1.00 1.50 H new ATOM 0 HA GLN A 16 9.855 -0.431 -10.038 1.00 51.04 H new ATOM 0 HB2 GLN A 16 10.761 -3.269 -9.411 1.00 14.14 H new ATOM 0 HB3 GLN A 16 9.181 -2.599 -9.055 1.00 14.14 H new ATOM 0 HG2 GLN A 16 9.835 -2.247 -11.871 1.00 55.32 H new ATOM 0 HG3 GLN A 16 9.993 -3.928 -11.403 1.00 55.32 H new ATOM 0 HE21 GLN A 16 8.184 -5.151 -10.880 1.00 4.05 H new ATOM 0 HE22 GLN A 16 6.536 -4.541 -11.061 1.00 4.05 H new ATOM 206 N CYS A 17 11.237 0.490 -8.059 1.00 11.04 N ATOM 207 CA CYS A 17 11.667 0.956 -6.746 1.00 22.11 C ATOM 208 C CYS A 17 10.598 1.836 -6.104 1.00 24.33 C ATOM 209 O CYS A 17 9.502 1.992 -6.641 1.00 74.32 O ATOM 210 CB CYS A 17 12.980 1.732 -6.862 1.00 42.44 C ATOM 211 SG CYS A 17 14.417 0.702 -7.303 1.00 13.34 S ATOM 0 H CYS A 17 11.083 1.233 -8.741 1.00 11.04 H new ATOM 0 HA CYS A 17 11.823 0.083 -6.112 1.00 22.11 H new ATOM 0 HB2 CYS A 17 12.863 2.513 -7.613 1.00 42.44 H new ATOM 0 HB3 CYS A 17 13.181 2.229 -5.913 1.00 42.44 H new ATOM 216 N CYS A 18 10.926 2.409 -4.951 1.00 23.14 N ATOM 217 CA CYS A 18 9.996 3.273 -4.234 1.00 23.12 C ATOM 218 C CYS A 18 10.096 4.712 -4.732 1.00 62.23 C ATOM 219 O CYS A 18 11.026 5.439 -4.382 1.00 14.22 O ATOM 220 CB CYS A 18 10.275 3.222 -2.730 1.00 65.14 C ATOM 221 SG CYS A 18 9.929 1.606 -1.964 1.00 64.33 S ATOM 0 H CYS A 18 11.830 2.290 -4.493 1.00 23.14 H new ATOM 0 HA CYS A 18 8.985 2.911 -4.422 1.00 23.12 H new ATOM 0 HB2 CYS A 18 11.320 3.478 -2.556 1.00 65.14 H new ATOM 0 HB3 CYS A 18 9.674 3.984 -2.234 1.00 65.14 H new ATOM 226 N LYS A 19 9.132 5.116 -5.552 1.00 41.13 N ATOM 227 CA LYS A 19 9.109 6.468 -6.099 1.00 33.32 C ATOM 228 C LYS A 19 8.906 7.498 -4.993 1.00 11.42 C ATOM 229 O LYS A 19 9.430 8.610 -5.063 1.00 65.32 O ATOM 230 CB LYS A 19 7.997 6.599 -7.143 1.00 22.34 C ATOM 231 CG LYS A 19 8.059 5.543 -8.233 1.00 45.20 C ATOM 232 CD LYS A 19 9.258 5.752 -9.143 1.00 70.14 C ATOM 233 CE LYS A 19 9.077 5.039 -10.475 1.00 4.11 C ATOM 234 NZ LYS A 19 9.104 3.558 -10.319 1.00 52.33 N ATOM 0 H LYS A 19 8.356 4.526 -5.853 1.00 41.13 H new ATOM 0 HA LYS A 19 10.071 6.657 -6.576 1.00 33.32 H new ATOM 0 HB2 LYS A 19 7.031 6.536 -6.642 1.00 22.34 H new ATOM 0 HB3 LYS A 19 8.055 7.586 -7.601 1.00 22.34 H new ATOM 0 HG2 LYS A 19 8.113 4.553 -7.780 1.00 45.20 H new ATOM 0 HG3 LYS A 19 7.143 5.574 -8.823 1.00 45.20 H new ATOM 0 HD2 LYS A 19 9.403 6.818 -9.316 1.00 70.14 H new ATOM 0 HD3 LYS A 19 10.158 5.384 -8.651 1.00 70.14 H new ATOM 0 HE2 LYS A 19 8.130 5.340 -10.922 1.00 4.11 H new ATOM 0 HE3 LYS A 19 9.866 5.346 -11.162 1.00 4.11 H new ATOM 0 HZ1 LYS A 19 8.978 3.109 -11.248 1.00 52.33 H new ATOM 0 HZ2 LYS A 19 10.018 3.268 -9.916 1.00 52.33 H new ATOM 0 HZ3 LYS A 19 8.336 3.262 -9.684 1.00 52.33 H new ATOM 248 N SER A 20 8.143 7.122 -3.972 1.00 31.44 N ATOM 249 CA SER A 20 7.869 8.015 -2.852 1.00 23.53 C ATOM 250 C SER A 20 9.168 8.524 -2.234 1.00 13.43 C ATOM 251 O SER A 20 9.252 9.673 -1.799 1.00 31.24 O ATOM 252 CB SER A 20 7.034 7.295 -1.791 1.00 3.14 C ATOM 253 OG SER A 20 7.859 6.549 -0.912 1.00 71.13 O ATOM 0 H SER A 20 7.703 6.205 -3.897 1.00 31.44 H new ATOM 0 HA SER A 20 7.306 8.869 -3.229 1.00 23.53 H new ATOM 0 HB2 SER A 20 6.457 8.024 -1.222 1.00 3.14 H new ATOM 0 HB3 SER A 20 6.319 6.630 -2.276 1.00 3.14 H new ATOM 0 HG SER A 20 7.302 6.100 -0.243 1.00 71.13 H new ATOM 259 N SER A 21 10.178 7.661 -2.199 1.00 1.51 N ATOM 260 CA SER A 21 11.472 8.022 -1.631 1.00 71.21 C ATOM 261 C SER A 21 12.446 8.446 -2.726 1.00 3.44 C ATOM 262 O SER A 21 13.661 8.436 -2.529 1.00 23.43 O ATOM 263 CB SER A 21 12.053 6.845 -0.844 1.00 14.51 C ATOM 264 OG SER A 21 11.396 6.693 0.403 1.00 65.32 O ATOM 0 H SER A 21 10.126 6.707 -2.557 1.00 1.51 H new ATOM 0 HA SER A 21 11.323 8.864 -0.955 1.00 71.21 H new ATOM 0 HB2 SER A 21 11.952 5.929 -1.426 1.00 14.51 H new ATOM 0 HB3 SER A 21 13.119 7.003 -0.680 1.00 14.51 H new ATOM 0 HG SER A 21 11.784 5.934 0.887 1.00 65.32 H new ATOM 270 N SER A 22 11.903 8.820 -3.880 1.00 25.00 N ATOM 271 CA SER A 22 12.724 9.245 -5.008 1.00 73.23 C ATOM 272 C SER A 22 13.804 8.211 -5.315 1.00 15.55 C ATOM 273 O SER A 22 14.998 8.491 -5.198 1.00 34.43 O ATOM 274 CB SER A 22 13.368 10.601 -4.716 1.00 1.15 C ATOM 275 OG SER A 22 12.508 11.665 -5.085 1.00 70.13 O ATOM 0 H SER A 22 10.899 8.837 -4.059 1.00 25.00 H new ATOM 0 HA SER A 22 12.077 9.339 -5.880 1.00 73.23 H new ATOM 0 HB2 SER A 22 13.606 10.673 -3.655 1.00 1.15 H new ATOM 0 HB3 SER A 22 14.309 10.685 -5.260 1.00 1.15 H new ATOM 0 HG SER A 22 12.943 12.521 -4.887 1.00 70.13 H new ATOM 281 N LEU A 23 13.376 7.017 -5.707 1.00 34.31 N ATOM 282 CA LEU A 23 14.305 5.940 -6.031 1.00 33.54 C ATOM 283 C LEU A 23 14.173 5.528 -7.493 1.00 73.23 C ATOM 284 O LEU A 23 13.180 5.842 -8.150 1.00 22.44 O ATOM 285 CB LEU A 23 14.053 4.733 -5.125 1.00 22.04 C ATOM 286 CG LEU A 23 14.356 4.934 -3.639 1.00 40.23 C ATOM 287 CD1 LEU A 23 14.067 3.662 -2.858 1.00 72.44 C ATOM 288 CD2 LEU A 23 15.802 5.365 -3.444 1.00 2.25 C ATOM 0 H LEU A 23 12.392 6.770 -5.808 1.00 34.31 H new ATOM 0 HA LEU A 23 15.318 6.306 -5.866 1.00 33.54 H new ATOM 0 HB2 LEU A 23 13.008 4.440 -5.226 1.00 22.04 H new ATOM 0 HB3 LEU A 23 14.654 3.899 -5.488 1.00 22.04 H new ATOM 0 HG LEU A 23 13.708 5.724 -3.259 1.00 40.23 H new ATOM 0 HD11 LEU A 23 14.289 3.824 -1.803 1.00 72.44 H new ATOM 0 HD12 LEU A 23 13.016 3.396 -2.971 1.00 72.44 H new ATOM 0 HD13 LEU A 23 14.689 2.852 -3.239 1.00 72.44 H new ATOM 0 HD21 LEU A 23 16.000 5.503 -2.381 1.00 2.25 H new ATOM 0 HD22 LEU A 23 16.467 4.598 -3.840 1.00 2.25 H new ATOM 0 HD23 LEU A 23 15.976 6.303 -3.971 1.00 2.25 H new ATOM 300 N ALA A 24 15.180 4.821 -7.997 1.00 15.40 N ATOM 301 CA ALA A 24 15.174 4.363 -9.381 1.00 30.24 C ATOM 302 C ALA A 24 16.221 3.276 -9.603 1.00 14.31 C ATOM 303 O ALA A 24 17.246 3.239 -8.922 1.00 41.14 O ATOM 304 CB ALA A 24 15.415 5.531 -10.325 1.00 14.31 C ATOM 0 H ALA A 24 16.010 4.553 -7.468 1.00 15.40 H new ATOM 0 HA ALA A 24 14.194 3.936 -9.593 1.00 30.24 H new ATOM 0 HB1 ALA A 24 15.408 5.174 -11.355 1.00 14.31 H new ATOM 0 HB2 ALA A 24 14.628 6.274 -10.193 1.00 14.31 H new ATOM 0 HB3 ALA A 24 16.382 5.983 -10.105 1.00 14.31 H new ATOM 310 N CYS A 25 15.955 2.392 -10.559 1.00 42.51 N ATOM 311 CA CYS A 25 16.873 1.304 -10.871 1.00 21.31 C ATOM 312 C CYS A 25 17.783 1.676 -12.038 1.00 55.43 C ATOM 313 O CYS A 25 17.317 1.893 -13.157 1.00 13.31 O ATOM 314 CB CYS A 25 16.093 0.031 -11.204 1.00 71.43 C ATOM 315 SG CYS A 25 17.000 -1.510 -10.856 1.00 64.24 S ATOM 0 H CYS A 25 15.111 2.408 -11.131 1.00 42.51 H new ATOM 0 HA CYS A 25 17.494 1.123 -9.993 1.00 21.31 H new ATOM 0 HB2 CYS A 25 15.163 0.029 -10.636 1.00 71.43 H new ATOM 0 HB3 CYS A 25 15.822 0.050 -12.260 1.00 71.43 H new ATOM 320 N SER A 26 19.082 1.749 -11.769 1.00 62.41 N ATOM 321 CA SER A 26 20.057 2.098 -12.796 1.00 1.35 C ATOM 322 C SER A 26 20.763 0.852 -13.321 1.00 41.24 C ATOM 323 O SER A 26 21.073 -0.068 -12.563 1.00 51.52 O ATOM 324 CB SER A 26 21.086 3.084 -12.237 1.00 73.23 C ATOM 325 OG SER A 26 21.286 4.170 -13.125 1.00 73.23 O ATOM 0 H SER A 26 19.484 1.571 -10.849 1.00 62.41 H new ATOM 0 HA SER A 26 19.525 2.568 -13.623 1.00 1.35 H new ATOM 0 HB2 SER A 26 20.748 3.458 -11.270 1.00 73.23 H new ATOM 0 HB3 SER A 26 22.032 2.570 -12.067 1.00 73.23 H new ATOM 0 HG SER A 26 22.238 4.400 -13.151 1.00 73.23 H new ATOM 331 N THR A 27 21.015 0.829 -14.627 1.00 21.25 N ATOM 332 CA THR A 27 21.683 -0.303 -15.256 1.00 21.53 C ATOM 333 C THR A 27 23.185 -0.269 -14.998 1.00 0.44 C ATOM 334 O THR A 27 23.924 -1.144 -15.449 1.00 51.34 O ATOM 335 CB THR A 27 21.435 -0.328 -16.776 1.00 4.01 C ATOM 336 OG1 THR A 27 20.133 0.190 -17.068 1.00 51.24 O ATOM 337 CG2 THR A 27 21.558 -1.743 -17.321 1.00 42.34 C ATOM 0 H THR A 27 20.766 1.582 -15.269 1.00 21.25 H new ATOM 0 HA THR A 27 21.262 -1.205 -14.812 1.00 21.53 H new ATOM 0 HB THR A 27 22.189 0.296 -17.256 1.00 4.01 H new ATOM 0 HG1 THR A 27 19.984 0.172 -18.036 1.00 51.24 H new ATOM 0 HG21 THR A 27 21.379 -1.736 -18.396 1.00 42.34 H new ATOM 0 HG22 THR A 27 22.560 -2.123 -17.123 1.00 42.34 H new ATOM 0 HG23 THR A 27 20.823 -2.385 -16.835 1.00 42.34 H new ATOM 345 N LYS A 28 23.632 0.748 -14.268 1.00 33.25 N ATOM 346 CA LYS A 28 25.046 0.897 -13.947 1.00 22.54 C ATOM 347 C LYS A 28 25.395 0.145 -12.666 1.00 5.52 C ATOM 348 O LYS A 28 26.357 -0.623 -12.627 1.00 40.14 O ATOM 349 CB LYS A 28 25.403 2.377 -13.796 1.00 1.03 C ATOM 350 CG LYS A 28 26.667 2.777 -14.537 1.00 71.34 C ATOM 351 CD LYS A 28 26.552 4.174 -15.122 1.00 52.34 C ATOM 352 CE LYS A 28 27.391 5.176 -14.343 1.00 74.40 C ATOM 353 NZ LYS A 28 27.836 6.310 -15.198 1.00 45.31 N ATOM 0 H LYS A 28 23.034 1.482 -13.887 1.00 33.25 H new ATOM 0 HA LYS A 28 25.626 0.472 -14.766 1.00 22.54 H new ATOM 0 HB2 LYS A 28 24.572 2.981 -14.160 1.00 1.03 H new ATOM 0 HB3 LYS A 28 25.525 2.607 -12.737 1.00 1.03 H new ATOM 0 HG2 LYS A 28 27.517 2.736 -13.856 1.00 71.34 H new ATOM 0 HG3 LYS A 28 26.863 2.062 -15.336 1.00 71.34 H new ATOM 0 HD2 LYS A 28 26.873 4.161 -16.164 1.00 52.34 H new ATOM 0 HD3 LYS A 28 25.508 4.488 -15.114 1.00 52.34 H new ATOM 0 HE2 LYS A 28 26.811 5.560 -13.503 1.00 74.40 H new ATOM 0 HE3 LYS A 28 28.263 4.673 -13.925 1.00 74.40 H new ATOM 0 HZ1 LYS A 28 28.405 6.970 -14.630 1.00 45.31 H new ATOM 0 HZ2 LYS A 28 28.410 5.947 -15.985 1.00 45.31 H new ATOM 0 HZ3 LYS A 28 27.004 6.806 -15.577 1.00 45.31 H new ATOM 367 N HIS A 29 24.608 0.371 -11.619 1.00 52.41 N ATOM 368 CA HIS A 29 24.833 -0.286 -10.337 1.00 21.23 C ATOM 369 C HIS A 29 23.787 -1.369 -10.090 1.00 64.55 C ATOM 370 O HIS A 29 23.980 -2.256 -9.258 1.00 65.25 O ATOM 371 CB HIS A 29 24.800 0.738 -9.202 1.00 25.11 C ATOM 372 CG HIS A 29 25.972 1.671 -9.203 1.00 52.35 C ATOM 373 ND1 HIS A 29 27.255 1.268 -9.505 1.00 63.25 N ATOM 374 CD2 HIS A 29 26.048 2.997 -8.939 1.00 70.33 C ATOM 375 CE1 HIS A 29 28.071 2.304 -9.425 1.00 54.22 C ATOM 376 NE2 HIS A 29 27.363 3.366 -9.084 1.00 32.33 N ATOM 0 H HIS A 29 23.809 1.004 -11.633 1.00 52.41 H new ATOM 0 HA HIS A 29 25.817 -0.755 -10.365 1.00 21.23 H new ATOM 0 HB2 HIS A 29 23.882 1.321 -9.276 1.00 25.11 H new ATOM 0 HB3 HIS A 29 24.767 0.211 -8.249 1.00 25.11 H new ATOM 0 HD2 HIS A 29 25.228 3.644 -8.665 1.00 70.33 H new ATOM 0 HE1 HIS A 29 29.135 2.286 -9.607 1.00 54.22 H new ATOM 0 HE2 HIS A 29 27.733 4.307 -8.950 1.00 32.33 H new ATOM 384 N LYS A 30 22.679 -1.291 -10.819 1.00 32.32 N ATOM 385 CA LYS A 30 21.602 -2.265 -10.681 1.00 11.53 C ATOM 386 C LYS A 30 21.051 -2.268 -9.259 1.00 14.15 C ATOM 387 O LYS A 30 21.131 -3.274 -8.554 1.00 62.32 O ATOM 388 CB LYS A 30 22.101 -3.664 -11.049 1.00 52.40 C ATOM 389 CG LYS A 30 22.016 -3.968 -12.535 1.00 21.14 C ATOM 390 CD LYS A 30 21.870 -5.459 -12.791 1.00 13.31 C ATOM 391 CE LYS A 30 23.145 -6.212 -12.444 1.00 40.43 C ATOM 392 NZ LYS A 30 24.112 -6.216 -13.577 1.00 12.10 N ATOM 0 H LYS A 30 22.503 -0.563 -11.512 1.00 32.32 H new ATOM 0 HA LYS A 30 20.800 -1.982 -11.362 1.00 11.53 H new ATOM 0 HB2 LYS A 30 23.136 -3.769 -10.724 1.00 52.40 H new ATOM 0 HB3 LYS A 30 21.518 -4.404 -10.501 1.00 52.40 H new ATOM 0 HG2 LYS A 30 21.167 -3.439 -12.968 1.00 21.14 H new ATOM 0 HG3 LYS A 30 22.911 -3.598 -13.035 1.00 21.14 H new ATOM 0 HD2 LYS A 30 21.042 -5.851 -12.200 1.00 13.31 H new ATOM 0 HD3 LYS A 30 21.621 -5.627 -13.839 1.00 13.31 H new ATOM 0 HE2 LYS A 30 23.611 -5.755 -11.571 1.00 40.43 H new ATOM 0 HE3 LYS A 30 22.898 -7.239 -12.173 1.00 40.43 H new ATOM 0 HZ1 LYS A 30 24.968 -6.739 -13.301 1.00 12.10 H new ATOM 0 HZ2 LYS A 30 23.677 -6.675 -14.403 1.00 12.10 H new ATOM 0 HZ3 LYS A 30 24.367 -5.237 -13.819 1.00 12.10 H new ATOM 406 N TRP A 31 20.490 -1.138 -8.844 1.00 0.32 N ATOM 407 CA TRP A 31 19.924 -1.012 -7.505 1.00 51.25 C ATOM 408 C TRP A 31 19.197 0.319 -7.345 1.00 4.02 C ATOM 409 O TRP A 31 19.483 1.283 -8.056 1.00 13.24 O ATOM 410 CB TRP A 31 21.024 -1.137 -6.450 1.00 60.12 C ATOM 411 CG TRP A 31 21.859 0.100 -6.312 1.00 53.14 C ATOM 412 CD1 TRP A 31 22.263 0.932 -7.317 1.00 52.21 C ATOM 413 CD2 TRP A 31 22.393 0.643 -5.100 1.00 14.00 C ATOM 414 NE1 TRP A 31 23.016 1.960 -6.802 1.00 72.22 N ATOM 415 CE2 TRP A 31 23.109 1.806 -5.444 1.00 64.33 C ATOM 416 CE3 TRP A 31 22.333 0.262 -3.757 1.00 22.40 C ATOM 417 CZ2 TRP A 31 23.761 2.587 -4.494 1.00 24.32 C ATOM 418 CZ3 TRP A 31 22.981 1.038 -2.815 1.00 21.42 C ATOM 419 CH2 TRP A 31 23.687 2.190 -3.186 1.00 72.34 C ATOM 0 H TRP A 31 20.415 -0.296 -9.415 1.00 0.32 H new ATOM 0 HA TRP A 31 19.203 -1.818 -7.365 1.00 51.25 H new ATOM 0 HB2 TRP A 31 20.569 -1.369 -5.487 1.00 60.12 H new ATOM 0 HB3 TRP A 31 21.670 -1.976 -6.707 1.00 60.12 H new ATOM 0 HD1 TRP A 31 22.026 0.801 -8.362 1.00 52.21 H new ATOM 0 HE1 TRP A 31 23.437 2.715 -7.343 1.00 72.22 H new ATOM 0 HE3 TRP A 31 21.790 -0.623 -3.461 1.00 22.40 H new ATOM 0 HZ2 TRP A 31 24.306 3.475 -4.779 1.00 24.32 H new ATOM 0 HZ3 TRP A 31 22.943 0.751 -1.774 1.00 21.42 H new ATOM 0 HH2 TRP A 31 24.182 2.776 -2.426 1.00 72.34 H new ATOM 430 N CYS A 32 18.258 0.366 -6.407 1.00 35.44 N ATOM 431 CA CYS A 32 17.490 1.578 -6.152 1.00 55.45 C ATOM 432 C CYS A 32 18.396 2.702 -5.658 1.00 15.31 C ATOM 433 O CYS A 32 18.688 2.801 -4.466 1.00 20.50 O ATOM 434 CB CYS A 32 16.390 1.305 -5.124 1.00 61.12 C ATOM 435 SG CYS A 32 15.224 -0.006 -5.614 1.00 13.12 S ATOM 0 H CYS A 32 18.010 -0.423 -5.810 1.00 35.44 H new ATOM 0 HA CYS A 32 17.031 1.891 -7.090 1.00 55.45 H new ATOM 0 HB2 CYS A 32 16.853 1.029 -4.177 1.00 61.12 H new ATOM 0 HB3 CYS A 32 15.833 2.226 -4.950 1.00 61.12 H new ATOM 440 N LYS A 33 18.837 3.549 -6.582 1.00 71.10 N ATOM 441 CA LYS A 33 19.708 4.667 -6.242 1.00 42.40 C ATOM 442 C LYS A 33 18.921 5.973 -6.184 1.00 71.45 C ATOM 443 O LYS A 33 17.988 6.181 -6.961 1.00 31.45 O ATOM 444 CB LYS A 33 20.841 4.787 -7.264 1.00 52.42 C ATOM 445 CG LYS A 33 20.362 4.780 -8.706 1.00 4.42 C ATOM 446 CD LYS A 33 21.219 5.679 -9.582 1.00 63.40 C ATOM 447 CE LYS A 33 22.651 5.173 -9.666 1.00 63.03 C ATOM 448 NZ LYS A 33 23.423 5.868 -10.733 1.00 41.24 N ATOM 0 H LYS A 33 18.605 3.482 -7.573 1.00 71.10 H new ATOM 0 HA LYS A 33 20.134 4.476 -5.257 1.00 42.40 H new ATOM 0 HB2 LYS A 33 21.392 5.709 -7.077 1.00 52.42 H new ATOM 0 HB3 LYS A 33 21.540 3.963 -7.118 1.00 52.42 H new ATOM 0 HG2 LYS A 33 20.387 3.762 -9.094 1.00 4.42 H new ATOM 0 HG3 LYS A 33 19.325 5.112 -8.747 1.00 4.42 H new ATOM 0 HD2 LYS A 33 20.790 5.729 -10.583 1.00 63.40 H new ATOM 0 HD3 LYS A 33 21.213 6.693 -9.181 1.00 63.40 H new ATOM 0 HE2 LYS A 33 23.145 5.320 -8.706 1.00 63.03 H new ATOM 0 HE3 LYS A 33 22.646 4.101 -9.861 1.00 63.03 H new ATOM 0 HZ1 LYS A 33 24.394 5.495 -10.758 1.00 41.24 H new ATOM 0 HZ2 LYS A 33 22.966 5.707 -11.653 1.00 41.24 H new ATOM 0 HZ3 LYS A 33 23.449 6.888 -10.534 1.00 41.24 H new ATOM 462 N TYR A 34 19.303 6.849 -5.262 1.00 63.51 N ATOM 463 CA TYR A 34 18.632 8.133 -5.103 1.00 42.22 C ATOM 464 C TYR A 34 18.695 8.944 -6.394 1.00 71.11 C ATOM 465 O TYR A 34 19.775 9.215 -6.917 1.00 61.44 O ATOM 466 CB TYR A 34 19.267 8.926 -3.959 1.00 35.41 C ATOM 467 CG TYR A 34 18.821 8.471 -2.588 1.00 30.35 C ATOM 468 CD1 TYR A 34 17.471 8.369 -2.273 1.00 25.55 C ATOM 469 CD2 TYR A 34 19.749 8.144 -1.607 1.00 20.04 C ATOM 470 CE1 TYR A 34 17.060 7.954 -1.021 1.00 15.03 C ATOM 471 CE2 TYR A 34 19.346 7.727 -0.353 1.00 3.23 C ATOM 472 CZ TYR A 34 18.001 7.634 -0.064 1.00 54.05 C ATOM 473 OH TYR A 34 17.595 7.221 1.184 1.00 64.41 O ATOM 0 H TYR A 34 20.074 6.693 -4.613 1.00 63.51 H new ATOM 0 HA TYR A 34 17.586 7.940 -4.866 1.00 42.22 H new ATOM 0 HB2 TYR A 34 20.352 8.840 -4.026 1.00 35.41 H new ATOM 0 HB3 TYR A 34 19.023 9.981 -4.080 1.00 35.41 H new ATOM 0 HD1 TYR A 34 16.731 8.618 -3.019 1.00 25.55 H new ATOM 0 HD2 TYR A 34 20.804 8.217 -1.829 1.00 20.04 H new ATOM 0 HE1 TYR A 34 16.007 7.880 -0.792 1.00 15.03 H new ATOM 0 HE2 TYR A 34 20.081 7.475 0.397 1.00 3.23 H new ATOM 0 HH TYR A 34 18.381 7.034 1.738 1.00 64.41 H new ATOM 483 N GLU A 35 17.528 9.329 -6.901 1.00 34.50 N ATOM 484 CA GLU A 35 17.449 10.108 -8.131 1.00 3.34 C ATOM 485 C GLU A 35 17.448 11.604 -7.827 1.00 74.23 C ATOM 486 O GLU A 35 16.460 12.147 -7.331 1.00 11.22 O ATOM 487 CB GLU A 35 16.192 9.735 -8.918 1.00 54.02 C ATOM 488 CG GLU A 35 16.459 8.798 -10.084 1.00 22.11 C ATOM 489 CD GLU A 35 16.673 9.538 -11.390 1.00 62.20 C ATOM 490 OE1 GLU A 35 15.886 10.462 -11.683 1.00 42.32 O ATOM 491 OE2 GLU A 35 17.626 9.193 -12.119 1.00 25.32 O ATOM 0 H GLU A 35 16.625 9.114 -6.479 1.00 34.50 H new ATOM 0 HA GLU A 35 18.327 9.877 -8.734 1.00 3.34 H new ATOM 0 HB2 GLU A 35 15.477 9.266 -8.243 1.00 54.02 H new ATOM 0 HB3 GLU A 35 15.726 10.646 -9.294 1.00 54.02 H new ATOM 0 HG2 GLU A 35 17.339 8.193 -9.865 1.00 22.11 H new ATOM 0 HG3 GLU A 35 15.619 8.111 -10.193 1.00 22.11 H new ATOM 498 N LEU A 36 18.560 12.264 -8.129 1.00 25.43 N ATOM 499 CA LEU A 36 18.689 13.697 -7.888 1.00 61.24 C ATOM 500 C LEU A 36 18.309 14.494 -9.132 1.00 71.32 C ATOM 501 O LEU A 36 18.879 14.298 -10.205 1.00 52.15 O ATOM 502 CB LEU A 36 20.120 14.037 -7.468 1.00 41.05 C ATOM 503 CG LEU A 36 20.693 13.217 -6.312 1.00 42.10 C ATOM 504 CD1 LEU A 36 22.148 13.586 -6.066 1.00 31.24 C ATOM 505 CD2 LEU A 36 19.867 13.424 -5.051 1.00 5.43 C ATOM 0 H LEU A 36 19.386 11.830 -8.541 1.00 25.43 H new ATOM 0 HA LEU A 36 18.007 13.968 -7.082 1.00 61.24 H new ATOM 0 HB2 LEU A 36 20.771 13.912 -8.333 1.00 41.05 H new ATOM 0 HB3 LEU A 36 20.156 15.091 -7.192 1.00 41.05 H new ATOM 0 HG LEU A 36 20.648 12.162 -6.582 1.00 42.10 H new ATOM 0 HD11 LEU A 36 22.539 12.992 -5.240 1.00 31.24 H new ATOM 0 HD12 LEU A 36 22.731 13.386 -6.965 1.00 31.24 H new ATOM 0 HD13 LEU A 36 22.218 14.645 -5.817 1.00 31.24 H new ATOM 0 HD21 LEU A 36 20.289 12.833 -4.238 1.00 5.43 H new ATOM 0 HD22 LEU A 36 19.880 14.479 -4.777 1.00 5.43 H new ATOM 0 HD23 LEU A 36 18.840 13.109 -5.233 1.00 5.43 H new TER 517 LEU A 36