USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 271 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 25 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.27 X(o=-1.3,f=-0.92) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00404 USER MOD Single : A 13 ASN : amide:sc= -0.0272 K(o=-0.027,f=-1.1) USER MOD Single : A 15 GLN : amide:sc= -0.0963 K(o=-0.096,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 109:sc= -0.2 USER MOD Single : A 34 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.0031) USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 1.970 -1.797 -2.917 1.00 75.23 N ATOM 9 CA CYS A 2 1.425 -2.615 -3.994 1.00 51.13 C ATOM 10 C CYS A 2 1.981 -4.035 -3.934 1.00 43.40 C ATOM 11 O CYS A 2 2.955 -4.302 -3.228 1.00 73.43 O ATOM 12 CB CYS A 2 1.746 -1.987 -5.352 1.00 11.20 C ATOM 13 SG CYS A 2 3.521 -1.688 -5.632 1.00 60.52 S ATOM 0 HA CYS A 2 0.343 -2.662 -3.869 1.00 51.13 H new ATOM 0 HB2 CYS A 2 1.370 -2.639 -6.140 1.00 11.20 H new ATOM 0 HB3 CYS A 2 1.211 -1.041 -5.438 1.00 11.20 H new ATOM 18 N LEU A 3 1.357 -4.941 -4.679 1.00 3.53 N ATOM 19 CA LEU A 3 1.790 -6.333 -4.711 1.00 75.51 C ATOM 20 C LEU A 3 2.802 -6.564 -5.828 1.00 43.42 C ATOM 21 O LEU A 3 2.564 -6.203 -6.980 1.00 3.51 O ATOM 22 CB LEU A 3 0.585 -7.257 -4.901 1.00 22.42 C ATOM 23 CG LEU A 3 -0.578 -7.051 -3.930 1.00 74.15 C ATOM 24 CD1 LEU A 3 -1.885 -7.510 -4.559 1.00 31.02 C ATOM 25 CD2 LEU A 3 -0.323 -7.792 -2.626 1.00 3.20 C ATOM 0 H LEU A 3 0.550 -4.736 -5.268 1.00 3.53 H new ATOM 0 HA LEU A 3 2.270 -6.560 -3.759 1.00 75.51 H new ATOM 0 HB2 LEU A 3 0.211 -7.129 -5.917 1.00 22.42 H new ATOM 0 HB3 LEU A 3 0.926 -8.289 -4.814 1.00 22.42 H new ATOM 0 HG LEU A 3 -0.658 -5.987 -3.709 1.00 74.15 H new ATOM 0 HD11 LEU A 3 -2.702 -7.356 -3.854 1.00 31.02 H new ATOM 0 HD12 LEU A 3 -2.074 -6.935 -5.465 1.00 31.02 H new ATOM 0 HD13 LEU A 3 -1.816 -8.569 -4.809 1.00 31.02 H new ATOM 0 HD21 LEU A 3 -1.161 -7.634 -1.948 1.00 3.20 H new ATOM 0 HD22 LEU A 3 -0.216 -8.858 -2.828 1.00 3.20 H new ATOM 0 HD23 LEU A 3 0.591 -7.416 -2.167 1.00 3.20 H new ATOM 37 N GLY A 4 3.933 -7.169 -5.479 1.00 64.32 N ATOM 38 CA GLY A 4 4.965 -7.439 -6.464 1.00 33.31 C ATOM 39 C GLY A 4 4.480 -8.347 -7.577 1.00 51.53 C ATOM 40 O GLY A 4 3.280 -8.592 -7.709 1.00 24.02 O ATOM 0 H GLY A 4 4.153 -7.477 -4.532 1.00 64.32 H new ATOM 0 HA2 GLY A 4 5.310 -6.498 -6.892 1.00 33.31 H new ATOM 0 HA3 GLY A 4 5.822 -7.899 -5.971 1.00 33.31 H new ATOM 44 N ILE A 5 5.413 -8.844 -8.382 1.00 22.25 N ATOM 45 CA ILE A 5 5.074 -9.729 -9.489 1.00 52.54 C ATOM 46 C ILE A 5 4.939 -11.173 -9.019 1.00 12.44 C ATOM 47 O ILE A 5 5.633 -11.604 -8.098 1.00 32.23 O ATOM 48 CB ILE A 5 6.131 -9.662 -10.607 1.00 41.33 C ATOM 49 CG1 ILE A 5 5.707 -10.531 -11.793 1.00 0.01 C ATOM 50 CG2 ILE A 5 7.488 -10.102 -10.080 1.00 5.35 C ATOM 51 CD1 ILE A 5 6.625 -10.411 -12.989 1.00 62.10 C ATOM 0 H ILE A 5 6.410 -8.649 -8.288 1.00 22.25 H new ATOM 0 HA ILE A 5 4.117 -9.387 -9.883 1.00 52.54 H new ATOM 0 HB ILE A 5 6.213 -8.630 -10.948 1.00 41.33 H new ATOM 0 HG12 ILE A 5 5.672 -11.573 -11.475 1.00 0.01 H new ATOM 0 HG13 ILE A 5 4.696 -10.255 -12.092 1.00 0.01 H new ATOM 0 HG21 ILE A 5 8.224 -10.049 -10.882 1.00 5.35 H new ATOM 0 HG22 ILE A 5 7.792 -9.446 -9.265 1.00 5.35 H new ATOM 0 HG23 ILE A 5 7.422 -11.127 -9.715 1.00 5.35 H new ATOM 0 HD11 ILE A 5 6.263 -11.054 -13.791 1.00 62.10 H new ATOM 0 HD12 ILE A 5 6.641 -9.377 -13.333 1.00 62.10 H new ATOM 0 HD13 ILE A 5 7.633 -10.715 -12.706 1.00 62.10 H new ATOM 63 N PHE A 6 4.042 -11.916 -9.658 1.00 32.12 N ATOM 64 CA PHE A 6 3.816 -13.313 -9.305 1.00 52.03 C ATOM 65 C PHE A 6 3.421 -13.446 -7.837 1.00 73.55 C ATOM 66 O PHE A 6 3.882 -14.348 -7.137 1.00 43.05 O ATOM 67 CB PHE A 6 5.072 -14.141 -9.584 1.00 72.13 C ATOM 68 CG PHE A 6 5.234 -14.516 -11.030 1.00 12.22 C ATOM 69 CD1 PHE A 6 4.207 -15.144 -11.715 1.00 72.25 C ATOM 70 CD2 PHE A 6 6.413 -14.239 -11.703 1.00 32.21 C ATOM 71 CE1 PHE A 6 4.354 -15.491 -13.045 1.00 53.23 C ATOM 72 CE2 PHE A 6 6.565 -14.583 -13.033 1.00 24.10 C ATOM 73 CZ PHE A 6 5.534 -15.209 -13.705 1.00 51.22 C ATOM 0 H PHE A 6 3.460 -11.575 -10.423 1.00 32.12 H new ATOM 0 HA PHE A 6 2.997 -13.689 -9.919 1.00 52.03 H new ATOM 0 HB2 PHE A 6 5.948 -13.577 -9.263 1.00 72.13 H new ATOM 0 HB3 PHE A 6 5.040 -15.050 -8.983 1.00 72.13 H new ATOM 0 HD1 PHE A 6 3.281 -15.365 -11.204 1.00 72.25 H new ATOM 0 HD2 PHE A 6 7.222 -13.749 -11.182 1.00 32.21 H new ATOM 0 HE1 PHE A 6 3.547 -15.982 -13.568 1.00 53.23 H new ATOM 0 HE2 PHE A 6 7.489 -14.362 -13.546 1.00 24.10 H new ATOM 0 HZ PHE A 6 5.650 -15.478 -14.745 1.00 51.22 H new ATOM 83 N LYS A 7 2.563 -12.542 -7.377 1.00 42.22 N ATOM 84 CA LYS A 7 2.104 -12.557 -5.994 1.00 11.45 C ATOM 85 C LYS A 7 0.603 -12.820 -5.921 1.00 63.52 C ATOM 86 O LYS A 7 -0.190 -12.127 -6.557 1.00 44.04 O ATOM 87 CB LYS A 7 2.432 -11.227 -5.311 1.00 41.43 C ATOM 88 CG LYS A 7 3.889 -11.096 -4.903 1.00 43.44 C ATOM 89 CD LYS A 7 4.193 -11.904 -3.653 1.00 1.52 C ATOM 90 CE LYS A 7 5.363 -11.315 -2.880 1.00 25.12 C ATOM 91 NZ LYS A 7 6.665 -11.890 -3.321 1.00 15.21 N ATOM 0 H LYS A 7 2.171 -11.789 -7.943 1.00 42.22 H new ATOM 0 HA LYS A 7 2.623 -13.363 -5.475 1.00 11.45 H new ATOM 0 HB2 LYS A 7 2.177 -10.409 -5.985 1.00 41.43 H new ATOM 0 HB3 LYS A 7 1.804 -11.118 -4.426 1.00 41.43 H new ATOM 0 HG2 LYS A 7 4.528 -11.433 -5.719 1.00 43.44 H new ATOM 0 HG3 LYS A 7 4.125 -10.047 -4.725 1.00 43.44 H new ATOM 0 HD2 LYS A 7 3.311 -11.933 -3.014 1.00 1.52 H new ATOM 0 HD3 LYS A 7 4.420 -12.934 -3.930 1.00 1.52 H new ATOM 0 HE2 LYS A 7 5.379 -10.233 -3.014 1.00 25.12 H new ATOM 0 HE3 LYS A 7 5.226 -11.502 -1.815 1.00 25.12 H new ATOM 0 HZ1 LYS A 7 7.437 -11.463 -2.771 1.00 15.21 H new ATOM 0 HZ2 LYS A 7 6.659 -12.919 -3.169 1.00 15.21 H new ATOM 0 HZ3 LYS A 7 6.808 -11.690 -4.331 1.00 15.21 H new ATOM 105 N ALA A 8 0.221 -13.826 -5.141 1.00 72.21 N ATOM 106 CA ALA A 8 -1.185 -14.179 -4.983 1.00 43.42 C ATOM 107 C ALA A 8 -2.020 -12.955 -4.622 1.00 33.22 C ATOM 108 O ALA A 8 -1.553 -12.056 -3.923 1.00 45.51 O ATOM 109 CB ALA A 8 -1.342 -15.259 -3.924 1.00 31.32 C ATOM 0 H ALA A 8 0.865 -14.411 -4.609 1.00 72.21 H new ATOM 0 HA ALA A 8 -1.547 -14.565 -5.936 1.00 43.42 H new ATOM 0 HB1 ALA A 8 -2.397 -15.513 -3.817 1.00 31.32 H new ATOM 0 HB2 ALA A 8 -0.784 -16.146 -4.224 1.00 31.32 H new ATOM 0 HB3 ALA A 8 -0.958 -14.893 -2.972 1.00 31.32 H new ATOM 115 N CYS A 9 -3.259 -12.927 -5.102 1.00 62.53 N ATOM 116 CA CYS A 9 -4.160 -11.814 -4.831 1.00 60.01 C ATOM 117 C CYS A 9 -5.540 -12.072 -5.430 1.00 65.51 C ATOM 118 O CYS A 9 -5.790 -13.132 -6.003 1.00 11.11 O ATOM 119 CB CYS A 9 -3.582 -10.514 -5.395 1.00 75.30 C ATOM 120 SG CYS A 9 -2.947 -10.659 -7.096 1.00 74.33 S ATOM 0 H CYS A 9 -3.662 -13.664 -5.681 1.00 62.53 H new ATOM 0 HA CYS A 9 -4.265 -11.719 -3.750 1.00 60.01 H new ATOM 0 HB2 CYS A 9 -4.354 -9.745 -5.371 1.00 75.30 H new ATOM 0 HB3 CYS A 9 -2.775 -10.176 -4.745 1.00 75.30 H new ATOM 125 N ASN A 10 -6.430 -11.096 -5.293 1.00 15.20 N ATOM 126 CA ASN A 10 -7.785 -11.217 -5.820 1.00 61.20 C ATOM 127 C ASN A 10 -8.078 -10.109 -6.827 1.00 12.02 C ATOM 128 O ASN A 10 -7.667 -8.961 -6.661 1.00 4.41 O ATOM 129 CB ASN A 10 -8.804 -11.169 -4.680 1.00 53.11 C ATOM 130 CG ASN A 10 -8.366 -10.257 -3.550 1.00 65.43 C ATOM 131 OD1 ASN A 10 -7.451 -10.585 -2.793 1.00 55.53 O ATOM 132 ND2 ASN A 10 -9.017 -9.107 -3.432 1.00 14.53 N ATOM 0 H ASN A 10 -6.238 -10.212 -4.822 1.00 15.20 H new ATOM 0 HA ASN A 10 -7.866 -12.177 -6.330 1.00 61.20 H new ATOM 0 HB2 ASN A 10 -9.763 -10.827 -5.068 1.00 53.11 H new ATOM 0 HB3 ASN A 10 -8.958 -12.176 -4.292 1.00 53.11 H new ATOM 0 HD21 ASN A 10 -8.766 -8.453 -2.691 1.00 14.53 H new ATOM 0 HD22 ASN A 10 -9.769 -8.877 -4.082 1.00 14.53 H new ATOM 139 N PRO A 11 -8.808 -10.459 -7.897 1.00 24.35 N ATOM 140 CA PRO A 11 -9.174 -9.509 -8.951 1.00 4.22 C ATOM 141 C PRO A 11 -10.190 -8.477 -8.474 1.00 4.24 C ATOM 142 O PRO A 11 -10.230 -7.354 -8.976 1.00 12.55 O ATOM 143 CB PRO A 11 -9.785 -10.400 -10.035 1.00 11.31 C ATOM 144 CG PRO A 11 -10.283 -11.598 -9.304 1.00 33.32 C ATOM 145 CD PRO A 11 -9.332 -11.810 -8.159 1.00 24.20 C ATOM 0 HA PRO A 11 -8.317 -8.927 -9.291 1.00 4.22 H new ATOM 0 HB2 PRO A 11 -10.595 -9.890 -10.557 1.00 11.31 H new ATOM 0 HB3 PRO A 11 -9.044 -10.674 -10.786 1.00 11.31 H new ATOM 0 HG2 PRO A 11 -11.299 -11.440 -8.943 1.00 33.32 H new ATOM 0 HG3 PRO A 11 -10.309 -12.471 -9.957 1.00 33.32 H new ATOM 0 HD2 PRO A 11 -9.839 -12.221 -7.286 1.00 24.20 H new ATOM 0 HD3 PRO A 11 -8.535 -12.506 -8.422 1.00 24.20 H new ATOM 153 N SER A 12 -11.008 -8.865 -7.501 1.00 55.12 N ATOM 154 CA SER A 12 -12.027 -7.974 -6.958 1.00 52.25 C ATOM 155 C SER A 12 -11.387 -6.761 -6.289 1.00 75.13 C ATOM 156 O SER A 12 -11.964 -5.675 -6.268 1.00 1.43 O ATOM 157 CB SER A 12 -12.905 -8.721 -5.953 1.00 74.11 C ATOM 158 OG SER A 12 -13.243 -10.012 -6.431 1.00 42.31 O ATOM 0 H SER A 12 -10.985 -9.790 -7.072 1.00 55.12 H new ATOM 0 HA SER A 12 -12.648 -7.626 -7.784 1.00 52.25 H new ATOM 0 HB2 SER A 12 -12.381 -8.808 -5.001 1.00 74.11 H new ATOM 0 HB3 SER A 12 -13.814 -8.150 -5.765 1.00 74.11 H new ATOM 0 HG SER A 12 -13.803 -10.469 -5.770 1.00 42.31 H new ATOM 164 N ASN A 13 -10.191 -6.956 -5.744 1.00 33.51 N ATOM 165 CA ASN A 13 -9.472 -5.880 -5.073 1.00 11.30 C ATOM 166 C ASN A 13 -8.011 -5.847 -5.510 1.00 43.52 C ATOM 167 O ASN A 13 -7.110 -5.682 -4.688 1.00 4.23 O ATOM 168 CB ASN A 13 -9.558 -6.049 -3.555 1.00 31.32 C ATOM 169 CG ASN A 13 -9.574 -4.720 -2.825 1.00 34.34 C ATOM 170 OD1 ASN A 13 -9.254 -3.680 -3.399 1.00 43.20 O ATOM 171 ND2 ASN A 13 -9.949 -4.750 -1.551 1.00 11.21 N ATOM 0 H ASN A 13 -9.699 -7.850 -5.754 1.00 33.51 H new ATOM 0 HA ASN A 13 -9.938 -4.936 -5.353 1.00 11.30 H new ATOM 0 HB2 ASN A 13 -10.459 -6.609 -3.305 1.00 31.32 H new ATOM 0 HB3 ASN A 13 -8.710 -6.640 -3.209 1.00 31.32 H new ATOM 0 HD21 ASN A 13 -9.980 -3.887 -1.008 1.00 11.21 H new ATOM 0 HD22 ASN A 13 -10.206 -5.636 -1.116 1.00 11.21 H new ATOM 178 N ASP A 14 -7.784 -6.003 -6.810 1.00 32.53 N ATOM 179 CA ASP A 14 -6.433 -5.990 -7.357 1.00 43.13 C ATOM 180 C ASP A 14 -5.661 -4.768 -6.870 1.00 11.52 C ATOM 181 O ASP A 14 -6.152 -3.642 -6.947 1.00 44.40 O ATOM 182 CB ASP A 14 -6.479 -6.003 -8.886 1.00 63.10 C ATOM 183 CG ASP A 14 -5.183 -5.522 -9.508 1.00 42.15 C ATOM 184 OD1 ASP A 14 -4.107 -5.839 -8.959 1.00 35.11 O ATOM 185 OD2 ASP A 14 -5.244 -4.827 -10.545 1.00 21.33 O ATOM 0 H ASP A 14 -8.519 -6.140 -7.504 1.00 32.53 H new ATOM 0 HA ASP A 14 -5.918 -6.885 -7.009 1.00 43.13 H new ATOM 0 HB2 ASP A 14 -6.691 -7.015 -9.232 1.00 63.10 H new ATOM 0 HB3 ASP A 14 -7.299 -5.371 -9.227 1.00 63.10 H new ATOM 190 N GLN A 15 -4.452 -4.999 -6.367 1.00 55.44 N ATOM 191 CA GLN A 15 -3.615 -3.916 -5.866 1.00 5.12 C ATOM 192 C GLN A 15 -2.151 -4.147 -6.230 1.00 15.45 C ATOM 193 O GLN A 15 -1.250 -3.813 -5.460 1.00 65.14 O ATOM 194 CB GLN A 15 -3.761 -3.790 -4.348 1.00 74.24 C ATOM 195 CG GLN A 15 -5.036 -3.083 -3.917 1.00 72.21 C ATOM 196 CD GLN A 15 -4.882 -1.576 -3.874 1.00 4.22 C ATOM 197 OE1 GLN A 15 -3.781 -1.048 -4.034 1.00 65.32 O ATOM 198 NE2 GLN A 15 -5.987 -0.873 -3.656 1.00 71.04 N ATOM 0 H GLN A 15 -4.031 -5.925 -6.296 1.00 55.44 H new ATOM 0 HA GLN A 15 -3.946 -2.989 -6.334 1.00 5.12 H new ATOM 0 HB2 GLN A 15 -3.740 -4.786 -3.905 1.00 74.24 H new ATOM 0 HB3 GLN A 15 -2.903 -3.247 -3.952 1.00 74.24 H new ATOM 0 HG2 GLN A 15 -5.841 -3.343 -4.605 1.00 72.21 H new ATOM 0 HG3 GLN A 15 -5.331 -3.442 -2.931 1.00 72.21 H new ATOM 0 HE21 GLN A 15 -6.879 -1.351 -3.529 1.00 71.04 H new ATOM 0 HE22 GLN A 15 -5.944 0.145 -3.616 1.00 71.04 H new ATOM 207 N CYS A 16 -1.923 -4.719 -7.406 1.00 62.55 N ATOM 208 CA CYS A 16 -0.570 -4.996 -7.873 1.00 25.12 C ATOM 209 C CYS A 16 0.178 -3.700 -8.174 1.00 13.04 C ATOM 210 O CYS A 16 -0.420 -2.625 -8.232 1.00 1.14 O ATOM 211 CB CYS A 16 -0.609 -5.877 -9.123 1.00 64.11 C ATOM 212 SG CYS A 16 -1.475 -7.462 -8.889 1.00 31.32 S ATOM 0 H CYS A 16 -2.658 -5.000 -8.054 1.00 62.55 H new ATOM 0 HA CYS A 16 -0.041 -5.525 -7.080 1.00 25.12 H new ATOM 0 HB2 CYS A 16 -1.094 -5.325 -9.928 1.00 64.11 H new ATOM 0 HB3 CYS A 16 0.413 -6.078 -9.445 1.00 64.11 H new ATOM 217 N CYS A 17 1.488 -3.810 -8.365 1.00 1.24 N ATOM 218 CA CYS A 17 2.318 -2.648 -8.659 1.00 64.33 C ATOM 219 C CYS A 17 2.124 -2.193 -10.103 1.00 23.12 C ATOM 220 O CYS A 17 2.867 -2.597 -10.998 1.00 53.53 O ATOM 221 CB CYS A 17 3.793 -2.972 -8.409 1.00 74.31 C ATOM 222 SG CYS A 17 4.201 -3.276 -6.660 1.00 35.22 S ATOM 0 H CYS A 17 1.998 -4.692 -8.321 1.00 1.24 H new ATOM 0 HA CYS A 17 2.013 -1.838 -7.997 1.00 64.33 H new ATOM 0 HB2 CYS A 17 4.065 -3.852 -8.993 1.00 74.31 H new ATOM 0 HB3 CYS A 17 4.403 -2.146 -8.775 1.00 74.31 H new ATOM 227 N LYS A 18 1.121 -1.350 -10.321 1.00 41.34 N ATOM 228 CA LYS A 18 0.829 -0.837 -11.655 1.00 35.13 C ATOM 229 C LYS A 18 2.084 -0.266 -12.305 1.00 41.55 C ATOM 230 O LYS A 18 2.251 -0.337 -13.523 1.00 1.01 O ATOM 231 CB LYS A 18 -0.257 0.240 -11.583 1.00 23.42 C ATOM 232 CG LYS A 18 -1.601 -0.283 -11.106 1.00 50.25 C ATOM 233 CD LYS A 18 -2.396 -0.898 -12.246 1.00 41.32 C ATOM 234 CE LYS A 18 -3.596 -1.678 -11.731 1.00 41.34 C ATOM 235 NZ LYS A 18 -4.607 -1.909 -12.800 1.00 61.21 N ATOM 0 H LYS A 18 0.496 -1.007 -9.591 1.00 41.34 H new ATOM 0 HA LYS A 18 0.470 -1.666 -12.266 1.00 35.13 H new ATOM 0 HB2 LYS A 18 0.074 1.033 -10.913 1.00 23.42 H new ATOM 0 HB3 LYS A 18 -0.380 0.687 -12.570 1.00 23.42 H new ATOM 0 HG2 LYS A 18 -1.446 -1.028 -10.325 1.00 50.25 H new ATOM 0 HG3 LYS A 18 -2.172 0.531 -10.661 1.00 50.25 H new ATOM 0 HD2 LYS A 18 -2.734 -0.112 -12.921 1.00 41.32 H new ATOM 0 HD3 LYS A 18 -1.752 -1.560 -12.825 1.00 41.32 H new ATOM 0 HE2 LYS A 18 -3.263 -2.636 -11.333 1.00 41.34 H new ATOM 0 HE3 LYS A 18 -4.057 -1.133 -10.907 1.00 41.34 H new ATOM 0 HZ1 LYS A 18 -5.409 -2.444 -12.410 1.00 61.21 H new ATOM 0 HZ2 LYS A 18 -4.944 -0.994 -13.163 1.00 61.21 H new ATOM 0 HZ3 LYS A 18 -4.175 -2.451 -13.575 1.00 61.21 H new ATOM 249 N SER A 19 2.965 0.300 -11.486 1.00 52.01 N ATOM 250 CA SER A 19 4.204 0.886 -11.983 1.00 24.32 C ATOM 251 C SER A 19 4.988 -0.125 -12.814 1.00 71.25 C ATOM 252 O SER A 19 5.628 0.231 -13.804 1.00 1.24 O ATOM 253 CB SER A 19 5.063 1.379 -10.817 1.00 24.12 C ATOM 254 OG SER A 19 6.294 1.909 -11.278 1.00 61.52 O ATOM 0 H SER A 19 2.843 0.365 -10.475 1.00 52.01 H new ATOM 0 HA SER A 19 3.947 1.733 -12.620 1.00 24.32 H new ATOM 0 HB2 SER A 19 4.521 2.143 -10.259 1.00 24.12 H new ATOM 0 HB3 SER A 19 5.253 0.556 -10.128 1.00 24.12 H new ATOM 0 HG SER A 19 6.824 2.218 -10.514 1.00 61.52 H new ATOM 260 N SER A 20 4.932 -1.389 -12.405 1.00 40.34 N ATOM 261 CA SER A 20 5.639 -2.452 -13.109 1.00 70.14 C ATOM 262 C SER A 20 4.704 -3.186 -14.065 1.00 75.13 C ATOM 263 O SER A 20 4.954 -4.332 -14.441 1.00 15.34 O ATOM 264 CB SER A 20 6.243 -3.440 -12.110 1.00 21.41 C ATOM 265 OG SER A 20 7.585 -3.101 -11.804 1.00 55.23 O ATOM 0 H SER A 20 4.404 -1.701 -11.590 1.00 40.34 H new ATOM 0 HA SER A 20 6.441 -1.998 -13.690 1.00 70.14 H new ATOM 0 HB2 SER A 20 5.649 -3.447 -11.196 1.00 21.41 H new ATOM 0 HB3 SER A 20 6.204 -4.448 -12.522 1.00 21.41 H new ATOM 0 HG SER A 20 7.947 -3.747 -11.162 1.00 55.23 H new ATOM 271 N LYS A 21 3.624 -2.517 -14.456 1.00 72.51 N ATOM 272 CA LYS A 21 2.650 -3.103 -15.369 1.00 74.13 C ATOM 273 C LYS A 21 2.223 -4.489 -14.895 1.00 4.31 C ATOM 274 O LYS A 21 2.409 -5.482 -15.600 1.00 12.33 O ATOM 275 CB LYS A 21 3.233 -3.193 -16.781 1.00 50.12 C ATOM 276 CG LYS A 21 2.190 -3.071 -17.879 1.00 64.10 C ATOM 277 CD LYS A 21 1.465 -4.386 -18.107 1.00 75.41 C ATOM 278 CE LYS A 21 0.225 -4.498 -17.233 1.00 53.40 C ATOM 279 NZ LYS A 21 -1.025 -4.273 -18.011 1.00 43.25 N ATOM 0 H LYS A 21 3.402 -1.568 -14.154 1.00 72.51 H new ATOM 0 HA LYS A 21 1.772 -2.458 -15.385 1.00 74.13 H new ATOM 0 HB2 LYS A 21 3.977 -2.406 -16.909 1.00 50.12 H new ATOM 0 HB3 LYS A 21 3.754 -4.144 -16.890 1.00 50.12 H new ATOM 0 HG2 LYS A 21 1.469 -2.298 -17.613 1.00 64.10 H new ATOM 0 HG3 LYS A 21 2.670 -2.754 -18.805 1.00 64.10 H new ATOM 0 HD2 LYS A 21 1.181 -4.469 -19.156 1.00 75.41 H new ATOM 0 HD3 LYS A 21 2.138 -5.216 -17.893 1.00 75.41 H new ATOM 0 HE2 LYS A 21 0.193 -5.486 -16.773 1.00 53.40 H new ATOM 0 HE3 LYS A 21 0.285 -3.771 -16.423 1.00 53.40 H new ATOM 0 HZ1 LYS A 21 -1.847 -4.358 -17.380 1.00 43.25 H new ATOM 0 HZ2 LYS A 21 -1.007 -3.321 -18.430 1.00 43.25 H new ATOM 0 HZ3 LYS A 21 -1.095 -4.983 -18.768 1.00 43.25 H new ATOM 293 N LEU A 22 1.651 -4.549 -13.698 1.00 13.22 N ATOM 294 CA LEU A 22 1.196 -5.813 -13.130 1.00 23.34 C ATOM 295 C LEU A 22 -0.284 -5.747 -12.768 1.00 10.02 C ATOM 296 O LEU A 22 -0.763 -4.738 -12.250 1.00 23.13 O ATOM 297 CB LEU A 22 2.021 -6.164 -11.890 1.00 11.42 C ATOM 298 CG LEU A 22 3.533 -6.263 -12.095 1.00 72.44 C ATOM 299 CD1 LEU A 22 4.273 -5.758 -10.867 1.00 20.02 C ATOM 300 CD2 LEU A 22 3.935 -7.697 -12.410 1.00 53.13 C ATOM 0 H LEU A 22 1.491 -3.737 -13.102 1.00 13.22 H new ATOM 0 HA LEU A 22 1.332 -6.590 -13.882 1.00 23.34 H new ATOM 0 HB2 LEU A 22 1.827 -5.413 -11.125 1.00 11.42 H new ATOM 0 HB3 LEU A 22 1.664 -7.117 -11.499 1.00 11.42 H new ATOM 0 HG LEU A 22 3.807 -5.635 -12.942 1.00 72.44 H new ATOM 0 HD11 LEU A 22 5.348 -5.836 -11.032 1.00 20.02 H new ATOM 0 HD12 LEU A 22 4.009 -4.716 -10.686 1.00 20.02 H new ATOM 0 HD13 LEU A 22 3.994 -6.359 -10.001 1.00 20.02 H new ATOM 0 HD21 LEU A 22 5.014 -7.749 -12.553 1.00 53.13 H new ATOM 0 HD22 LEU A 22 3.647 -8.346 -11.583 1.00 53.13 H new ATOM 0 HD23 LEU A 22 3.432 -8.024 -13.320 1.00 53.13 H new ATOM 312 N VAL A 23 -1.004 -6.830 -13.043 1.00 32.05 N ATOM 313 CA VAL A 23 -2.430 -6.896 -12.743 1.00 64.50 C ATOM 314 C VAL A 23 -2.833 -8.298 -12.297 1.00 43.52 C ATOM 315 O VAL A 23 -2.396 -9.294 -12.874 1.00 34.20 O ATOM 316 CB VAL A 23 -3.279 -6.494 -13.963 1.00 42.42 C ATOM 317 CG1 VAL A 23 -4.761 -6.581 -13.634 1.00 74.15 C ATOM 318 CG2 VAL A 23 -2.910 -5.094 -14.430 1.00 45.31 C ATOM 0 H VAL A 23 -0.624 -7.673 -13.473 1.00 32.05 H new ATOM 0 HA VAL A 23 -2.616 -6.192 -11.932 1.00 64.50 H new ATOM 0 HB VAL A 23 -3.070 -7.191 -14.775 1.00 42.42 H new ATOM 0 HG11 VAL A 23 -5.345 -6.293 -14.508 1.00 74.15 H new ATOM 0 HG12 VAL A 23 -5.011 -7.603 -13.351 1.00 74.15 H new ATOM 0 HG13 VAL A 23 -4.990 -5.909 -12.807 1.00 74.15 H new ATOM 0 HG21 VAL A 23 -3.520 -4.826 -15.293 1.00 45.31 H new ATOM 0 HG22 VAL A 23 -3.089 -4.383 -13.624 1.00 45.31 H new ATOM 0 HG23 VAL A 23 -1.856 -5.069 -14.708 1.00 45.31 H new ATOM 328 N CYS A 24 -3.669 -8.367 -11.267 1.00 1.21 N ATOM 329 CA CYS A 24 -4.132 -9.646 -10.742 1.00 54.42 C ATOM 330 C CYS A 24 -5.193 -10.255 -11.654 1.00 32.40 C ATOM 331 O CYS A 24 -6.307 -9.742 -11.758 1.00 10.41 O ATOM 332 CB CYS A 24 -4.698 -9.467 -9.332 1.00 22.22 C ATOM 333 SG CYS A 24 -4.541 -10.943 -8.276 1.00 32.33 S ATOM 0 H CYS A 24 -4.040 -7.552 -10.779 1.00 1.21 H new ATOM 0 HA CYS A 24 -3.280 -10.324 -10.701 1.00 54.42 H new ATOM 0 HB2 CYS A 24 -4.188 -8.633 -8.850 1.00 22.22 H new ATOM 0 HB3 CYS A 24 -5.751 -9.197 -9.406 1.00 22.22 H new ATOM 338 N SER A 25 -4.839 -11.354 -12.312 1.00 61.44 N ATOM 339 CA SER A 25 -5.759 -12.033 -13.218 1.00 44.32 C ATOM 340 C SER A 25 -6.836 -12.780 -12.439 1.00 32.32 C ATOM 341 O SER A 25 -6.606 -13.231 -11.317 1.00 0.05 O ATOM 342 CB SER A 25 -4.996 -13.007 -14.118 1.00 43.32 C ATOM 343 OG SER A 25 -5.639 -13.153 -15.372 1.00 50.34 O ATOM 0 H SER A 25 -3.922 -11.794 -12.235 1.00 61.44 H new ATOM 0 HA SER A 25 -6.242 -11.278 -13.839 1.00 44.32 H new ATOM 0 HB2 SER A 25 -3.978 -12.647 -14.268 1.00 43.32 H new ATOM 0 HB3 SER A 25 -4.922 -13.978 -13.628 1.00 43.32 H new ATOM 0 HG SER A 25 -5.131 -13.779 -15.929 1.00 50.34 H new ATOM 349 N ARG A 26 -8.013 -12.908 -13.043 1.00 12.24 N ATOM 350 CA ARG A 26 -9.128 -13.599 -12.406 1.00 24.32 C ATOM 351 C ARG A 26 -8.943 -15.112 -12.481 1.00 72.11 C ATOM 352 O ARG A 26 -9.446 -15.853 -11.636 1.00 2.22 O ATOM 353 CB ARG A 26 -10.448 -13.202 -13.069 1.00 22.13 C ATOM 354 CG ARG A 26 -10.767 -11.721 -12.952 1.00 3.45 C ATOM 355 CD ARG A 26 -11.637 -11.245 -14.105 1.00 23.15 C ATOM 356 NE ARG A 26 -10.856 -11.001 -15.315 1.00 34.53 N ATOM 357 CZ ARG A 26 -10.033 -9.969 -15.463 1.00 73.40 C ATOM 358 NH1 ARG A 26 -9.884 -9.090 -14.482 1.00 23.20 N ATOM 359 NH2 ARG A 26 -9.357 -9.816 -16.594 1.00 54.45 N ATOM 0 H ARG A 26 -8.219 -12.542 -13.973 1.00 12.24 H new ATOM 0 HA ARG A 26 -9.154 -13.305 -11.357 1.00 24.32 H new ATOM 0 HB2 ARG A 26 -10.412 -13.475 -14.124 1.00 22.13 H new ATOM 0 HB3 ARG A 26 -11.258 -13.776 -12.619 1.00 22.13 H new ATOM 0 HG2 ARG A 26 -11.277 -11.531 -12.008 1.00 3.45 H new ATOM 0 HG3 ARG A 26 -9.840 -11.148 -12.934 1.00 3.45 H new ATOM 0 HD2 ARG A 26 -12.404 -11.991 -14.313 1.00 23.15 H new ATOM 0 HD3 ARG A 26 -12.153 -10.330 -13.816 1.00 23.15 H new ATOM 0 HE ARG A 26 -10.948 -11.659 -16.089 1.00 34.53 H new ATOM 0 HH11 ARG A 26 -10.402 -9.205 -13.611 1.00 23.20 H new ATOM 0 HH12 ARG A 26 -9.251 -8.298 -14.598 1.00 23.20 H new ATOM 0 HH21 ARG A 26 -9.469 -10.491 -17.350 1.00 54.45 H new ATOM 0 HH22 ARG A 26 -8.725 -9.023 -16.707 1.00 54.45 H new ATOM 373 N LYS A 27 -8.219 -15.565 -13.499 1.00 54.34 N ATOM 374 CA LYS A 27 -7.967 -16.989 -13.686 1.00 51.42 C ATOM 375 C LYS A 27 -6.690 -17.414 -12.969 1.00 1.54 C ATOM 376 O LYS A 27 -6.627 -18.491 -12.376 1.00 70.41 O ATOM 377 CB LYS A 27 -7.861 -17.317 -15.177 1.00 24.40 C ATOM 378 CG LYS A 27 -7.860 -18.807 -15.473 1.00 33.22 C ATOM 379 CD LYS A 27 -9.234 -19.419 -15.257 1.00 14.20 C ATOM 380 CE LYS A 27 -10.216 -18.979 -16.333 1.00 4.44 C ATOM 381 NZ LYS A 27 -11.461 -19.795 -16.315 1.00 64.55 N ATOM 0 H LYS A 27 -7.796 -14.966 -14.208 1.00 54.34 H new ATOM 0 HA LYS A 27 -8.804 -17.540 -13.257 1.00 51.42 H new ATOM 0 HB2 LYS A 27 -8.694 -16.851 -15.703 1.00 24.40 H new ATOM 0 HB3 LYS A 27 -6.947 -16.876 -15.574 1.00 24.40 H new ATOM 0 HG2 LYS A 27 -7.544 -18.974 -16.503 1.00 33.22 H new ATOM 0 HG3 LYS A 27 -7.133 -19.306 -14.832 1.00 33.22 H new ATOM 0 HD2 LYS A 27 -9.154 -20.506 -15.259 1.00 14.20 H new ATOM 0 HD3 LYS A 27 -9.613 -19.129 -14.277 1.00 14.20 H new ATOM 0 HE2 LYS A 27 -10.468 -17.929 -16.187 1.00 4.44 H new ATOM 0 HE3 LYS A 27 -9.743 -19.060 -17.312 1.00 4.44 H new ATOM 0 HZ1 LYS A 27 -12.104 -19.464 -17.063 1.00 64.55 H new ATOM 0 HZ2 LYS A 27 -11.224 -20.794 -16.480 1.00 64.55 H new ATOM 0 HZ3 LYS A 27 -11.926 -19.698 -15.390 1.00 64.55 H new ATOM 395 N THR A 28 -5.673 -16.559 -13.024 1.00 62.22 N ATOM 396 CA THR A 28 -4.398 -16.846 -12.380 1.00 4.04 C ATOM 397 C THR A 28 -4.423 -16.446 -10.909 1.00 3.11 C ATOM 398 O THR A 28 -3.758 -17.063 -10.077 1.00 3.04 O ATOM 399 CB THR A 28 -3.237 -16.114 -13.079 1.00 51.34 C ATOM 400 OG1 THR A 28 -3.104 -14.789 -12.551 1.00 71.33 O ATOM 401 CG2 THR A 28 -3.468 -16.045 -14.581 1.00 63.35 C ATOM 0 H THR A 28 -5.708 -15.662 -13.508 1.00 62.22 H new ATOM 0 HA THR A 28 -4.240 -17.921 -12.459 1.00 4.04 H new ATOM 0 HB THR A 28 -2.320 -16.673 -12.893 1.00 51.34 H new ATOM 0 HG1 THR A 28 -2.294 -14.736 -12.001 1.00 71.33 H new ATOM 0 HG21 THR A 28 -2.635 -15.524 -15.054 1.00 63.35 H new ATOM 0 HG22 THR A 28 -3.540 -17.055 -14.985 1.00 63.35 H new ATOM 0 HG23 THR A 28 -4.394 -15.507 -14.782 1.00 63.35 H new ATOM 409 N ARG A 29 -5.194 -15.410 -10.595 1.00 72.22 N ATOM 410 CA ARG A 29 -5.305 -14.928 -9.224 1.00 11.30 C ATOM 411 C ARG A 29 -3.951 -14.456 -8.702 1.00 50.14 C ATOM 412 O ARG A 29 -3.663 -14.562 -7.510 1.00 62.13 O ATOM 413 CB ARG A 29 -5.858 -16.028 -8.317 1.00 23.54 C ATOM 414 CG ARG A 29 -7.363 -16.210 -8.427 1.00 23.31 C ATOM 415 CD ARG A 29 -7.929 -16.921 -7.207 1.00 42.33 C ATOM 416 NE ARG A 29 -8.283 -15.984 -6.144 1.00 73.50 N ATOM 417 CZ ARG A 29 -8.770 -16.360 -4.966 1.00 41.23 C ATOM 418 NH1 ARG A 29 -8.958 -17.645 -4.702 1.00 74.45 N ATOM 419 NH2 ARG A 29 -9.069 -15.448 -4.049 1.00 64.35 N ATOM 0 H ARG A 29 -5.751 -14.888 -11.272 1.00 72.22 H new ATOM 0 HA ARG A 29 -5.992 -14.082 -9.218 1.00 11.30 H new ATOM 0 HB2 ARG A 29 -5.368 -16.970 -8.563 1.00 23.54 H new ATOM 0 HB3 ARG A 29 -5.603 -15.796 -7.283 1.00 23.54 H new ATOM 0 HG2 ARG A 29 -7.841 -15.237 -8.537 1.00 23.31 H new ATOM 0 HG3 ARG A 29 -7.597 -16.783 -9.324 1.00 23.31 H new ATOM 0 HD2 ARG A 29 -8.812 -17.491 -7.497 1.00 42.33 H new ATOM 0 HD3 ARG A 29 -7.197 -17.636 -6.832 1.00 42.33 H new ATOM 0 HE ARG A 29 -8.149 -14.987 -6.315 1.00 73.50 H new ATOM 0 HH11 ARG A 29 -8.729 -18.349 -5.404 1.00 74.45 H new ATOM 0 HH12 ARG A 29 -9.332 -17.930 -3.797 1.00 74.45 H new ATOM 0 HH21 ARG A 29 -8.925 -14.458 -4.248 1.00 64.35 H new ATOM 0 HH22 ARG A 29 -9.443 -15.737 -3.145 1.00 64.35 H new ATOM 433 N TRP A 30 -3.125 -13.936 -9.603 1.00 0.32 N ATOM 434 CA TRP A 30 -1.801 -13.448 -9.233 1.00 61.14 C ATOM 435 C TRP A 30 -1.331 -12.365 -10.198 1.00 63.44 C ATOM 436 O TRP A 30 -1.703 -12.362 -11.372 1.00 43.13 O ATOM 437 CB TRP A 30 -0.797 -14.602 -9.214 1.00 31.13 C ATOM 438 CG TRP A 30 -0.328 -15.004 -10.579 1.00 65.11 C ATOM 439 CD1 TRP A 30 0.339 -14.223 -11.480 1.00 13.14 C ATOM 440 CD2 TRP A 30 -0.491 -16.284 -11.199 1.00 25.42 C ATOM 441 NE1 TRP A 30 0.600 -14.941 -12.622 1.00 54.50 N ATOM 442 CE2 TRP A 30 0.102 -16.208 -12.475 1.00 31.14 C ATOM 443 CE3 TRP A 30 -1.077 -17.488 -10.800 1.00 33.23 C ATOM 444 CZ2 TRP A 30 0.122 -17.289 -13.351 1.00 70.45 C ATOM 445 CZ3 TRP A 30 -1.057 -18.560 -11.671 1.00 62.43 C ATOM 446 CH2 TRP A 30 -0.460 -18.456 -12.935 1.00 0.32 C ATOM 0 H TRP A 30 -3.348 -13.841 -10.594 1.00 0.32 H new ATOM 0 HA TRP A 30 -1.866 -13.015 -8.235 1.00 61.14 H new ATOM 0 HB2 TRP A 30 0.065 -14.314 -8.612 1.00 31.13 H new ATOM 0 HB3 TRP A 30 -1.254 -15.463 -8.726 1.00 31.13 H new ATOM 0 HD1 TRP A 30 0.620 -13.193 -11.318 1.00 13.14 H new ATOM 0 HE1 TRP A 30 1.086 -14.587 -13.446 1.00 54.50 H new ATOM 0 HE3 TRP A 30 -1.538 -17.579 -9.827 1.00 33.23 H new ATOM 0 HZ2 TRP A 30 0.581 -17.210 -14.325 1.00 70.45 H new ATOM 0 HZ3 TRP A 30 -1.509 -19.494 -11.373 1.00 62.43 H new ATOM 0 HH2 TRP A 30 -0.459 -19.313 -13.593 1.00 0.32 H new ATOM 457 N CYS A 31 -0.511 -11.447 -9.697 1.00 60.52 N ATOM 458 CA CYS A 31 0.010 -10.359 -10.515 1.00 3.21 C ATOM 459 C CYS A 31 0.896 -10.896 -11.635 1.00 60.03 C ATOM 460 O CYS A 31 1.976 -11.432 -11.386 1.00 2.43 O ATOM 461 CB CYS A 31 0.803 -9.377 -9.649 1.00 71.43 C ATOM 462 SG CYS A 31 -0.109 -8.762 -8.198 1.00 13.24 S ATOM 0 H CYS A 31 -0.193 -11.435 -8.728 1.00 60.52 H new ATOM 0 HA CYS A 31 -0.836 -9.838 -10.963 1.00 3.21 H new ATOM 0 HB2 CYS A 31 1.717 -9.864 -9.310 1.00 71.43 H new ATOM 0 HB3 CYS A 31 1.103 -8.528 -10.263 1.00 71.43 H new ATOM 467 N LYS A 32 0.431 -10.749 -12.871 1.00 43.24 N ATOM 468 CA LYS A 32 1.180 -11.217 -14.032 1.00 1.14 C ATOM 469 C LYS A 32 1.805 -10.047 -14.784 1.00 4.51 C ATOM 470 O LYS A 32 1.264 -8.941 -14.790 1.00 44.24 O ATOM 471 CB LYS A 32 0.266 -12.009 -14.969 1.00 32.33 C ATOM 472 CG LYS A 32 -0.671 -11.137 -15.786 1.00 0.41 C ATOM 473 CD LYS A 32 -1.893 -11.912 -16.250 1.00 2.23 C ATOM 474 CE LYS A 32 -2.390 -11.414 -17.598 1.00 61.12 C ATOM 475 NZ LYS A 32 -3.220 -12.435 -18.295 1.00 34.45 N ATOM 0 H LYS A 32 -0.462 -10.309 -13.095 1.00 43.24 H new ATOM 0 HA LYS A 32 1.980 -11.868 -13.679 1.00 1.14 H new ATOM 0 HB2 LYS A 32 0.880 -12.602 -15.647 1.00 32.33 H new ATOM 0 HB3 LYS A 32 -0.325 -12.710 -14.379 1.00 32.33 H new ATOM 0 HG2 LYS A 32 -0.987 -10.282 -15.189 1.00 0.41 H new ATOM 0 HG3 LYS A 32 -0.139 -10.742 -16.652 1.00 0.41 H new ATOM 0 HD2 LYS A 32 -1.648 -12.972 -16.320 1.00 2.23 H new ATOM 0 HD3 LYS A 32 -2.688 -11.817 -15.510 1.00 2.23 H new ATOM 0 HE2 LYS A 32 -2.975 -10.505 -17.456 1.00 61.12 H new ATOM 0 HE3 LYS A 32 -1.538 -11.150 -18.224 1.00 61.12 H new ATOM 0 HZ1 LYS A 32 -3.539 -12.057 -19.210 1.00 34.45 H new ATOM 0 HZ2 LYS A 32 -2.654 -13.293 -18.453 1.00 34.45 H new ATOM 0 HZ3 LYS A 32 -4.047 -12.669 -17.709 1.00 34.45 H new ATOM 489 N TRP A 33 2.945 -10.298 -15.417 1.00 44.21 N ATOM 490 CA TRP A 33 3.643 -9.264 -16.174 1.00 30.40 C ATOM 491 C TRP A 33 3.128 -9.198 -17.607 1.00 55.13 C ATOM 492 O TRP A 33 3.361 -10.108 -18.402 1.00 73.11 O ATOM 493 CB TRP A 33 5.149 -9.531 -16.172 1.00 61.13 C ATOM 494 CG TRP A 33 5.974 -8.283 -16.260 1.00 15.40 C ATOM 495 CD1 TRP A 33 5.569 -7.064 -16.726 1.00 32.24 C ATOM 496 CD2 TRP A 33 7.344 -8.132 -15.873 1.00 52.45 C ATOM 497 NE1 TRP A 33 6.605 -6.165 -16.652 1.00 0.22 N ATOM 498 CE2 TRP A 33 7.705 -6.795 -16.132 1.00 14.43 C ATOM 499 CE3 TRP A 33 8.300 -8.995 -15.333 1.00 4.25 C ATOM 500 CZ2 TRP A 33 8.981 -6.304 -15.868 1.00 73.10 C ATOM 501 CZ3 TRP A 33 9.567 -8.506 -15.072 1.00 35.53 C ATOM 502 CH2 TRP A 33 9.897 -7.171 -15.339 1.00 24.33 C ATOM 0 H TRP A 33 3.406 -11.208 -15.422 1.00 44.21 H new ATOM 0 HA TRP A 33 3.451 -8.304 -15.694 1.00 30.40 H new ATOM 0 HB2 TRP A 33 5.414 -10.070 -15.262 1.00 61.13 H new ATOM 0 HB3 TRP A 33 5.396 -10.181 -17.011 1.00 61.13 H new ATOM 0 HD1 TRP A 33 4.580 -6.840 -17.098 1.00 32.24 H new ATOM 0 HE1 TRP A 33 6.562 -5.187 -16.938 1.00 0.22 H new ATOM 0 HE3 TRP A 33 8.054 -10.026 -15.123 1.00 4.25 H new ATOM 0 HZ2 TRP A 33 9.238 -5.275 -16.074 1.00 73.10 H new ATOM 0 HZ3 TRP A 33 10.315 -9.165 -14.655 1.00 35.53 H new ATOM 0 HH2 TRP A 33 10.895 -6.819 -15.123 1.00 24.33 H new ATOM 513 N GLN A 34 2.427 -8.116 -17.930 1.00 53.31 N ATOM 514 CA GLN A 34 1.878 -7.932 -19.269 1.00 25.52 C ATOM 515 C GLN A 34 2.789 -7.047 -20.113 1.00 72.24 C ATOM 516 O GLN A 34 3.417 -6.120 -19.602 1.00 24.00 O ATOM 517 CB GLN A 34 0.480 -7.318 -19.190 1.00 72.22 C ATOM 518 CG GLN A 34 -0.638 -8.312 -19.462 1.00 65.44 C ATOM 519 CD GLN A 34 -0.759 -8.666 -20.932 1.00 0.04 C ATOM 520 OE1 GLN A 34 -0.601 -9.824 -21.318 1.00 74.43 O ATOM 521 NE2 GLN A 34 -1.041 -7.667 -21.760 1.00 22.02 N ATOM 0 H GLN A 34 2.226 -7.353 -17.283 1.00 53.31 H new ATOM 0 HA GLN A 34 1.810 -8.910 -19.745 1.00 25.52 H new ATOM 0 HB2 GLN A 34 0.338 -6.886 -18.199 1.00 72.22 H new ATOM 0 HB3 GLN A 34 0.410 -6.500 -19.907 1.00 72.22 H new ATOM 0 HG2 GLN A 34 -0.459 -9.220 -18.887 1.00 65.44 H new ATOM 0 HG3 GLN A 34 -1.583 -7.895 -19.114 1.00 65.44 H new ATOM 0 HE21 GLN A 34 -1.164 -6.722 -21.396 1.00 22.02 H new ATOM 0 HE22 GLN A 34 -1.135 -7.845 -22.760 1.00 22.02 H new ATOM 530 N ILE A 35 2.855 -7.339 -21.408 1.00 32.41 N ATOM 531 CA ILE A 35 3.688 -6.569 -22.323 1.00 31.21 C ATOM 532 C ILE A 35 3.115 -5.174 -22.546 1.00 55.11 C ATOM 533 O ILE A 35 1.917 -5.014 -22.782 1.00 11.52 O ATOM 534 CB ILE A 35 3.832 -7.276 -23.683 1.00 63.25 C ATOM 535 CG1 ILE A 35 4.772 -6.486 -24.596 1.00 65.22 C ATOM 536 CG2 ILE A 35 2.470 -7.448 -24.338 1.00 51.24 C ATOM 537 CD1 ILE A 35 6.191 -6.405 -24.077 1.00 40.24 C ATOM 0 H ILE A 35 2.341 -8.103 -21.847 1.00 32.41 H new ATOM 0 HA ILE A 35 4.671 -6.485 -21.860 1.00 31.21 H new ATOM 0 HB ILE A 35 4.261 -8.264 -23.518 1.00 63.25 H new ATOM 0 HG12 ILE A 35 4.780 -6.948 -25.583 1.00 65.22 H new ATOM 0 HG13 ILE A 35 4.381 -5.476 -24.720 1.00 65.22 H new ATOM 0 HG21 ILE A 35 2.589 -7.949 -25.299 1.00 51.24 H new ATOM 0 HG22 ILE A 35 1.829 -8.048 -23.692 1.00 51.24 H new ATOM 0 HG23 ILE A 35 2.015 -6.470 -24.493 1.00 51.24 H new ATOM 0 HD11 ILE A 35 6.801 -5.831 -24.774 1.00 40.24 H new ATOM 0 HD12 ILE A 35 6.195 -5.915 -23.103 1.00 40.24 H new ATOM 0 HD13 ILE A 35 6.601 -7.410 -23.979 1.00 40.24 H new