USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=6 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.521 K(o=-0.52,f=-7.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00341 USER MOD Single : A 13 ASN : amide:sc= -0.0885 K(o=-0.088,f=-1.8!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 18 LYS NZ :NH3+ -117:sc= 0.57 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 107:sc= -0.218 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N CYS A 2 2.173 -1.697 -2.994 1.00 62.42 N ATOM 9 CA CYS A 2 1.559 -2.515 -4.033 1.00 64.41 C ATOM 10 C CYS A 2 2.074 -3.951 -3.970 1.00 42.44 C ATOM 11 O CYS A 2 3.043 -4.245 -3.268 1.00 52.55 O ATOM 12 CB CYS A 2 1.842 -1.920 -5.414 1.00 24.32 C ATOM 13 SG CYS A 2 3.608 -1.615 -5.744 1.00 73.24 S ATOM 0 HA CYS A 2 0.482 -2.526 -3.863 1.00 64.41 H new ATOM 0 HB2 CYS A 2 1.452 -2.595 -6.176 1.00 24.32 H new ATOM 0 HB3 CYS A 2 1.297 -0.981 -5.512 1.00 24.32 H new ATOM 18 N LEU A 3 1.420 -4.840 -4.709 1.00 22.42 N ATOM 19 CA LEU A 3 1.811 -6.246 -4.738 1.00 41.54 C ATOM 20 C LEU A 3 2.810 -6.509 -5.860 1.00 60.45 C ATOM 21 O LEU A 3 2.557 -6.186 -7.020 1.00 15.41 O ATOM 22 CB LEU A 3 0.579 -7.134 -4.917 1.00 61.44 C ATOM 23 CG LEU A 3 -0.578 -6.880 -3.951 1.00 31.22 C ATOM 24 CD1 LEU A 3 -1.905 -7.239 -4.601 1.00 32.52 C ATOM 25 CD2 LEU A 3 -0.381 -7.669 -2.664 1.00 55.33 C ATOM 0 H LEU A 3 0.617 -4.613 -5.296 1.00 22.42 H new ATOM 0 HA LEU A 3 2.288 -6.486 -3.788 1.00 41.54 H new ATOM 0 HB2 LEU A 3 0.210 -7.008 -5.935 1.00 61.44 H new ATOM 0 HB3 LEU A 3 0.888 -8.174 -4.816 1.00 61.44 H new ATOM 0 HG LEU A 3 -0.594 -5.818 -3.704 1.00 31.22 H new ATOM 0 HD11 LEU A 3 -2.717 -7.052 -3.898 1.00 32.52 H new ATOM 0 HD12 LEU A 3 -2.050 -6.630 -5.493 1.00 32.52 H new ATOM 0 HD13 LEU A 3 -1.901 -8.293 -4.878 1.00 32.52 H new ATOM 0 HD21 LEU A 3 -1.214 -7.476 -1.988 1.00 55.33 H new ATOM 0 HD22 LEU A 3 -0.338 -8.734 -2.893 1.00 55.33 H new ATOM 0 HD23 LEU A 3 0.551 -7.363 -2.188 1.00 55.33 H new ATOM 37 N GLY A 4 3.947 -7.102 -5.507 1.00 52.20 N ATOM 38 CA GLY A 4 4.966 -7.401 -6.496 1.00 31.32 C ATOM 39 C GLY A 4 4.462 -8.326 -7.586 1.00 30.21 C ATOM 40 O GLY A 4 3.264 -8.598 -7.674 1.00 1.31 O ATOM 0 H GLY A 4 4.180 -7.380 -4.554 1.00 52.20 H new ATOM 0 HA2 GLY A 4 5.316 -6.472 -6.945 1.00 31.32 H new ATOM 0 HA3 GLY A 4 5.823 -7.859 -6.003 1.00 31.32 H new ATOM 44 N ILE A 5 5.377 -8.810 -8.419 1.00 41.10 N ATOM 45 CA ILE A 5 5.018 -9.709 -9.509 1.00 3.12 C ATOM 46 C ILE A 5 4.873 -11.144 -9.013 1.00 4.42 C ATOM 47 O ILE A 5 5.571 -11.566 -8.091 1.00 30.54 O ATOM 48 CB ILE A 5 6.065 -9.671 -10.638 1.00 23.23 C ATOM 49 CG1 ILE A 5 5.618 -10.550 -11.807 1.00 72.05 C ATOM 50 CG2 ILE A 5 7.422 -10.123 -10.117 1.00 53.33 C ATOM 51 CD1 ILE A 5 6.525 -10.458 -13.014 1.00 41.43 C ATOM 0 H ILE A 5 6.372 -8.595 -8.360 1.00 41.10 H new ATOM 0 HA ILE A 5 4.061 -9.364 -9.900 1.00 3.12 H new ATOM 0 HB ILE A 5 6.157 -8.645 -10.994 1.00 23.23 H new ATOM 0 HG12 ILE A 5 5.573 -11.587 -11.475 1.00 72.05 H new ATOM 0 HG13 ILE A 5 4.607 -10.265 -12.100 1.00 72.05 H new ATOM 0 HG21 ILE A 5 8.152 -10.091 -10.926 1.00 53.33 H new ATOM 0 HG22 ILE A 5 7.742 -9.460 -9.313 1.00 53.33 H new ATOM 0 HG23 ILE A 5 7.345 -11.142 -9.738 1.00 53.33 H new ATOM 0 HD11 ILE A 5 6.147 -11.107 -13.804 1.00 41.43 H new ATOM 0 HD12 ILE A 5 6.551 -9.429 -13.372 1.00 41.43 H new ATOM 0 HD13 ILE A 5 7.532 -10.771 -12.737 1.00 41.43 H new ATOM 63 N PHE A 6 3.964 -11.889 -9.632 1.00 41.01 N ATOM 64 CA PHE A 6 3.728 -13.278 -9.255 1.00 12.55 C ATOM 65 C PHE A 6 3.351 -13.383 -7.780 1.00 32.53 C ATOM 66 O PHE A 6 3.831 -14.264 -7.066 1.00 2.25 O ATOM 67 CB PHE A 6 4.971 -14.124 -9.537 1.00 1.43 C ATOM 68 CG PHE A 6 5.199 -14.385 -10.998 1.00 42.01 C ATOM 69 CD1 PHE A 6 4.192 -14.920 -11.785 1.00 40.22 C ATOM 70 CD2 PHE A 6 6.420 -14.095 -11.585 1.00 25.42 C ATOM 71 CE1 PHE A 6 4.400 -15.162 -13.130 1.00 13.01 C ATOM 72 CE2 PHE A 6 6.634 -14.335 -12.929 1.00 71.13 C ATOM 73 CZ PHE A 6 5.622 -14.868 -13.703 1.00 33.10 C ATOM 0 H PHE A 6 3.378 -11.554 -10.397 1.00 41.01 H new ATOM 0 HA PHE A 6 2.898 -13.655 -9.853 1.00 12.55 H new ATOM 0 HB2 PHE A 6 5.845 -13.620 -9.125 1.00 1.43 H new ATOM 0 HB3 PHE A 6 4.878 -15.077 -9.016 1.00 1.43 H new ATOM 0 HD1 PHE A 6 3.234 -15.150 -11.343 1.00 40.22 H new ATOM 0 HD2 PHE A 6 7.214 -13.676 -10.985 1.00 25.42 H new ATOM 0 HE1 PHE A 6 3.607 -15.581 -13.733 1.00 13.01 H new ATOM 0 HE2 PHE A 6 7.591 -14.106 -13.373 1.00 71.13 H new ATOM 0 HZ PHE A 6 5.786 -15.055 -14.754 1.00 33.10 H new ATOM 83 N LYS A 7 2.487 -12.479 -7.330 1.00 24.34 N ATOM 84 CA LYS A 7 2.044 -12.469 -5.941 1.00 33.33 C ATOM 85 C LYS A 7 0.538 -12.698 -5.849 1.00 4.22 C ATOM 86 O LYS A 7 -0.245 -11.997 -6.489 1.00 33.24 O ATOM 87 CB LYS A 7 2.410 -11.140 -5.276 1.00 60.24 C ATOM 88 CG LYS A 7 3.891 -11.002 -4.968 1.00 32.34 C ATOM 89 CD LYS A 7 4.324 -11.962 -3.872 1.00 72.11 C ATOM 90 CE LYS A 7 5.763 -11.711 -3.448 1.00 34.03 C ATOM 91 NZ LYS A 7 5.993 -12.078 -2.023 1.00 13.22 N ATOM 0 H LYS A 7 2.080 -11.744 -7.908 1.00 24.34 H new ATOM 0 HA LYS A 7 2.550 -13.281 -5.419 1.00 33.33 H new ATOM 0 HB2 LYS A 7 2.105 -10.321 -5.928 1.00 60.24 H new ATOM 0 HB3 LYS A 7 1.844 -11.038 -4.350 1.00 60.24 H new ATOM 0 HG2 LYS A 7 4.471 -11.194 -5.871 1.00 32.34 H new ATOM 0 HG3 LYS A 7 4.106 -9.978 -4.662 1.00 32.34 H new ATOM 0 HD2 LYS A 7 3.665 -11.853 -3.010 1.00 72.11 H new ATOM 0 HD3 LYS A 7 4.221 -12.988 -4.224 1.00 72.11 H new ATOM 0 HE2 LYS A 7 6.435 -12.287 -4.084 1.00 34.03 H new ATOM 0 HE3 LYS A 7 6.007 -10.659 -3.596 1.00 34.03 H new ATOM 0 HZ1 LYS A 7 6.985 -11.892 -1.773 1.00 13.22 H new ATOM 0 HZ2 LYS A 7 5.370 -11.511 -1.413 1.00 13.22 H new ATOM 0 HZ3 LYS A 7 5.785 -13.088 -1.887 1.00 13.22 H new ATOM 105 N ALA A 8 0.142 -13.681 -5.048 1.00 74.41 N ATOM 106 CA ALA A 8 -1.270 -13.999 -4.870 1.00 62.20 C ATOM 107 C ALA A 8 -2.073 -12.752 -4.517 1.00 30.13 C ATOM 108 O ALA A 8 -1.574 -11.850 -3.843 1.00 52.01 O ATOM 109 CB ALA A 8 -1.440 -15.061 -3.794 1.00 61.40 C ATOM 0 H ALA A 8 0.778 -14.271 -4.512 1.00 74.41 H new ATOM 0 HA ALA A 8 -1.651 -14.389 -5.814 1.00 62.20 H new ATOM 0 HB1 ALA A 8 -2.499 -15.289 -3.672 1.00 61.40 H new ATOM 0 HB2 ALA A 8 -0.906 -15.965 -4.087 1.00 61.40 H new ATOM 0 HB3 ALA A 8 -1.037 -14.691 -2.851 1.00 61.40 H new ATOM 115 N CYS A 9 -3.319 -12.707 -4.976 1.00 12.12 N ATOM 116 CA CYS A 9 -4.192 -11.570 -4.710 1.00 1.15 C ATOM 117 C CYS A 9 -5.590 -11.815 -5.269 1.00 14.02 C ATOM 118 O CYS A 9 -5.875 -12.882 -5.810 1.00 32.30 O ATOM 119 CB CYS A 9 -3.604 -10.295 -5.318 1.00 24.22 C ATOM 120 SG CYS A 9 -3.014 -10.492 -7.030 1.00 62.10 S ATOM 0 H CYS A 9 -3.747 -13.445 -5.534 1.00 12.12 H new ATOM 0 HA CYS A 9 -4.268 -11.448 -3.630 1.00 1.15 H new ATOM 0 HB2 CYS A 9 -4.361 -9.511 -5.294 1.00 24.22 H new ATOM 0 HB3 CYS A 9 -2.775 -9.957 -4.696 1.00 24.22 H new ATOM 125 N ASN A 10 -6.459 -10.818 -5.134 1.00 2.14 N ATOM 126 CA ASN A 10 -7.828 -10.925 -5.625 1.00 2.21 C ATOM 127 C ASN A 10 -8.106 -9.871 -6.693 1.00 35.15 C ATOM 128 O ASN A 10 -7.683 -8.720 -6.589 1.00 12.40 O ATOM 129 CB ASN A 10 -8.820 -10.772 -4.470 1.00 44.41 C ATOM 130 CG ASN A 10 -8.750 -9.400 -3.827 1.00 34.25 C ATOM 131 OD1 ASN A 10 -7.763 -8.681 -3.977 1.00 4.12 O ATOM 132 ND2 ASN A 10 -9.802 -9.032 -3.105 1.00 13.24 N ATOM 0 H ASN A 10 -6.239 -9.927 -4.689 1.00 2.14 H new ATOM 0 HA ASN A 10 -7.952 -11.911 -6.072 1.00 2.21 H new ATOM 0 HB2 ASN A 10 -9.831 -10.947 -4.837 1.00 44.41 H new ATOM 0 HB3 ASN A 10 -8.618 -11.534 -3.717 1.00 44.41 H new ATOM 0 HD21 ASN A 10 -9.813 -8.120 -2.648 1.00 13.24 H new ATOM 0 HD22 ASN A 10 -10.599 -9.661 -3.008 1.00 13.24 H new ATOM 139 N PRO A 11 -8.836 -10.272 -7.744 1.00 35.43 N ATOM 140 CA PRO A 11 -9.189 -9.378 -8.850 1.00 74.02 C ATOM 141 C PRO A 11 -10.196 -8.311 -8.434 1.00 42.44 C ATOM 142 O PRO A 11 -10.206 -7.207 -8.981 1.00 32.45 O ATOM 143 CB PRO A 11 -9.807 -10.321 -9.885 1.00 73.25 C ATOM 144 CG PRO A 11 -10.320 -11.472 -9.091 1.00 32.22 C ATOM 145 CD PRO A 11 -9.374 -11.630 -7.933 1.00 31.32 C ATOM 0 HA PRO A 11 -8.325 -8.825 -9.219 1.00 74.02 H new ATOM 0 HB2 PRO A 11 -10.610 -9.832 -10.437 1.00 73.25 H new ATOM 0 HB3 PRO A 11 -9.067 -10.644 -10.618 1.00 73.25 H new ATOM 0 HG2 PRO A 11 -11.336 -11.284 -8.743 1.00 32.22 H new ATOM 0 HG3 PRO A 11 -10.353 -12.379 -9.695 1.00 32.22 H new ATOM 0 HD2 PRO A 11 -9.888 -11.987 -7.040 1.00 31.32 H new ATOM 0 HD3 PRO A 11 -8.584 -12.348 -8.154 1.00 31.32 H new ATOM 153 N SER A 12 -11.040 -8.646 -7.464 1.00 53.13 N ATOM 154 CA SER A 12 -12.053 -7.717 -6.978 1.00 12.44 C ATOM 155 C SER A 12 -11.405 -6.490 -6.342 1.00 61.33 C ATOM 156 O SER A 12 -11.961 -5.393 -6.376 1.00 64.34 O ATOM 157 CB SER A 12 -12.965 -8.409 -5.963 1.00 11.23 C ATOM 158 OG SER A 12 -13.330 -9.705 -6.405 1.00 44.33 O ATOM 0 H SER A 12 -11.042 -9.554 -6.999 1.00 53.13 H new ATOM 0 HA SER A 12 -12.650 -7.391 -7.830 1.00 12.44 H new ATOM 0 HB2 SER A 12 -12.457 -8.479 -5.001 1.00 11.23 H new ATOM 0 HB3 SER A 12 -13.861 -7.809 -5.807 1.00 11.23 H new ATOM 0 HG SER A 12 -13.911 -10.126 -5.738 1.00 44.33 H new ATOM 164 N ASN A 13 -10.225 -6.686 -5.763 1.00 1.11 N ATOM 165 CA ASN A 13 -9.500 -5.597 -5.119 1.00 3.32 C ATOM 166 C ASN A 13 -8.039 -5.581 -5.558 1.00 41.14 C ATOM 167 O ASN A 13 -7.136 -5.393 -4.742 1.00 74.33 O ATOM 168 CB ASN A 13 -9.585 -5.730 -3.597 1.00 3.51 C ATOM 169 CG ASN A 13 -9.341 -4.412 -2.887 1.00 53.31 C ATOM 170 OD1 ASN A 13 -9.283 -3.356 -3.517 1.00 40.15 O ATOM 171 ND2 ASN A 13 -9.198 -4.468 -1.568 1.00 63.01 N ATOM 0 H ASN A 13 -9.751 -7.588 -5.727 1.00 1.11 H new ATOM 0 HA ASN A 13 -9.962 -4.657 -5.422 1.00 3.32 H new ATOM 0 HB2 ASN A 13 -10.569 -6.111 -3.323 1.00 3.51 H new ATOM 0 HB3 ASN A 13 -8.853 -6.463 -3.258 1.00 3.51 H new ATOM 0 HD21 ASN A 13 -9.033 -3.613 -1.036 1.00 63.01 H new ATOM 0 HD22 ASN A 13 -9.253 -5.366 -1.087 1.00 63.01 H new ATOM 178 N ASP A 14 -7.814 -5.779 -6.853 1.00 12.44 N ATOM 179 CA ASP A 14 -6.463 -5.786 -7.402 1.00 13.52 C ATOM 180 C ASP A 14 -5.687 -4.552 -6.951 1.00 21.34 C ATOM 181 O ASP A 14 -6.175 -3.428 -7.057 1.00 43.54 O ATOM 182 CB ASP A 14 -6.511 -5.843 -8.929 1.00 51.35 C ATOM 183 CG ASP A 14 -5.213 -5.388 -9.567 1.00 1.12 C ATOM 184 OD1 ASP A 14 -4.139 -5.696 -9.009 1.00 40.41 O ATOM 185 OD2 ASP A 14 -5.271 -4.723 -10.623 1.00 22.41 O ATOM 0 H ASP A 14 -8.550 -5.937 -7.542 1.00 12.44 H new ATOM 0 HA ASP A 14 -5.950 -6.672 -7.029 1.00 13.52 H new ATOM 0 HB2 ASP A 14 -6.730 -6.863 -9.245 1.00 51.35 H new ATOM 0 HB3 ASP A 14 -7.328 -5.216 -9.287 1.00 51.35 H new ATOM 190 N GLN A 15 -4.477 -4.773 -6.446 1.00 14.33 N ATOM 191 CA GLN A 15 -3.635 -3.679 -5.977 1.00 0.13 C ATOM 192 C GLN A 15 -2.171 -3.935 -6.317 1.00 64.01 C ATOM 193 O GLN A 15 -1.273 -3.568 -5.559 1.00 5.02 O ATOM 194 CB GLN A 15 -3.795 -3.495 -4.467 1.00 32.14 C ATOM 195 CG GLN A 15 -5.079 -2.782 -4.073 1.00 61.03 C ATOM 196 CD GLN A 15 -5.478 -3.049 -2.635 1.00 63.03 C ATOM 197 OE1 GLN A 15 -5.751 -4.188 -2.256 1.00 75.11 O ATOM 198 NE2 GLN A 15 -5.513 -1.997 -1.825 1.00 65.33 N ATOM 0 H GLN A 15 -4.059 -5.698 -6.351 1.00 14.33 H new ATOM 0 HA GLN A 15 -3.953 -2.767 -6.483 1.00 0.13 H new ATOM 0 HB2 GLN A 15 -3.770 -4.473 -3.986 1.00 32.14 H new ATOM 0 HB3 GLN A 15 -2.944 -2.930 -4.086 1.00 32.14 H new ATOM 0 HG2 GLN A 15 -4.953 -1.709 -4.218 1.00 61.03 H new ATOM 0 HG3 GLN A 15 -5.885 -3.101 -4.735 1.00 61.03 H new ATOM 0 HE21 GLN A 15 -5.279 -1.071 -2.182 1.00 65.33 H new ATOM 0 HE22 GLN A 15 -5.774 -2.116 -0.846 1.00 65.33 H new ATOM 207 N CYS A 16 -1.936 -4.567 -7.462 1.00 74.50 N ATOM 208 CA CYS A 16 -0.581 -4.874 -7.904 1.00 32.15 C ATOM 209 C CYS A 16 0.197 -3.595 -8.200 1.00 74.23 C ATOM 210 O CYS A 16 -0.364 -2.499 -8.193 1.00 43.31 O ATOM 211 CB CYS A 16 -0.617 -5.763 -9.148 1.00 42.13 C ATOM 212 SG CYS A 16 -1.515 -7.331 -8.917 1.00 3.11 S ATOM 0 H CYS A 16 -2.668 -4.877 -8.101 1.00 74.50 H new ATOM 0 HA CYS A 16 -0.075 -5.408 -7.100 1.00 32.15 H new ATOM 0 HB2 CYS A 16 -1.080 -5.209 -9.964 1.00 42.13 H new ATOM 0 HB3 CYS A 16 0.406 -5.984 -9.453 1.00 42.13 H new ATOM 217 N CYS A 17 1.491 -3.744 -8.461 1.00 41.33 N ATOM 218 CA CYS A 17 2.347 -2.602 -8.761 1.00 22.35 C ATOM 219 C CYS A 17 2.171 -2.155 -10.209 1.00 11.02 C ATOM 220 O CYS A 17 2.904 -2.587 -11.098 1.00 25.51 O ATOM 221 CB CYS A 17 3.813 -2.955 -8.499 1.00 72.11 C ATOM 222 SG CYS A 17 4.201 -3.270 -6.747 1.00 52.32 S ATOM 0 H CYS A 17 1.970 -4.644 -8.471 1.00 41.33 H new ATOM 0 HA CYS A 17 2.055 -1.779 -8.108 1.00 22.35 H new ATOM 0 HB2 CYS A 17 4.072 -3.839 -9.082 1.00 72.11 H new ATOM 0 HB3 CYS A 17 4.442 -2.140 -8.858 1.00 72.11 H new ATOM 227 N LYS A 18 1.193 -1.286 -10.439 1.00 13.44 N ATOM 228 CA LYS A 18 0.919 -0.777 -11.777 1.00 63.04 C ATOM 229 C LYS A 18 2.192 -0.242 -12.427 1.00 33.32 C ATOM 230 O LYS A 18 2.362 -0.328 -13.643 1.00 4.42 O ATOM 231 CB LYS A 18 -0.139 0.327 -11.720 1.00 32.32 C ATOM 232 CG LYS A 18 -1.481 -0.145 -11.186 1.00 40.44 C ATOM 233 CD LYS A 18 -2.138 -1.139 -12.129 1.00 42.33 C ATOM 234 CE LYS A 18 -3.617 -1.307 -11.819 1.00 74.05 C ATOM 235 NZ LYS A 18 -3.837 -2.099 -10.578 1.00 35.40 N ATOM 0 H LYS A 18 0.576 -0.919 -9.715 1.00 13.44 H new ATOM 0 HA LYS A 18 0.542 -1.602 -12.381 1.00 63.04 H new ATOM 0 HB2 LYS A 18 0.228 1.138 -11.091 1.00 32.32 H new ATOM 0 HB3 LYS A 18 -0.279 0.737 -12.720 1.00 32.32 H new ATOM 0 HG2 LYS A 18 -1.343 -0.606 -10.208 1.00 40.44 H new ATOM 0 HG3 LYS A 18 -2.139 0.712 -11.044 1.00 40.44 H new ATOM 0 HD2 LYS A 18 -2.017 -0.801 -13.158 1.00 42.33 H new ATOM 0 HD3 LYS A 18 -1.637 -2.104 -12.050 1.00 42.33 H new ATOM 0 HE2 LYS A 18 -4.079 -0.326 -11.710 1.00 74.05 H new ATOM 0 HE3 LYS A 18 -4.110 -1.800 -12.657 1.00 74.05 H new ATOM 0 HZ1 LYS A 18 -4.344 -2.977 -10.812 1.00 35.40 H new ATOM 0 HZ2 LYS A 18 -2.919 -2.333 -10.148 1.00 35.40 H new ATOM 0 HZ3 LYS A 18 -4.402 -1.541 -9.906 1.00 35.40 H new ATOM 249 N SER A 19 3.083 0.308 -11.608 1.00 34.42 N ATOM 250 CA SER A 19 4.339 0.858 -12.103 1.00 53.12 C ATOM 251 C SER A 19 5.099 -0.178 -12.925 1.00 25.22 C ATOM 252 O SER A 19 5.754 0.155 -13.912 1.00 43.53 O ATOM 253 CB SER A 19 5.205 1.337 -10.937 1.00 3.01 C ATOM 254 OG SER A 19 4.507 2.272 -10.133 1.00 30.01 O ATOM 0 H SER A 19 2.958 0.384 -10.599 1.00 34.42 H new ATOM 0 HA SER A 19 4.107 1.707 -12.746 1.00 53.12 H new ATOM 0 HB2 SER A 19 5.506 0.484 -10.329 1.00 3.01 H new ATOM 0 HB3 SER A 19 6.118 1.793 -11.321 1.00 3.01 H new ATOM 0 HG SER A 19 5.082 2.561 -9.394 1.00 30.01 H new ATOM 260 N SER A 20 5.008 -1.437 -12.509 1.00 74.30 N ATOM 261 CA SER A 20 5.690 -2.523 -13.203 1.00 72.22 C ATOM 262 C SER A 20 4.734 -3.253 -14.142 1.00 32.22 C ATOM 263 O SER A 20 4.959 -4.409 -14.501 1.00 62.02 O ATOM 264 CB SER A 20 6.283 -3.508 -12.194 1.00 65.33 C ATOM 265 OG SER A 20 7.629 -3.182 -11.894 1.00 43.31 O ATOM 0 H SER A 20 4.468 -1.730 -11.695 1.00 74.30 H new ATOM 0 HA SER A 20 6.496 -2.092 -13.797 1.00 72.22 H new ATOM 0 HB2 SER A 20 5.690 -3.497 -11.279 1.00 65.33 H new ATOM 0 HB3 SER A 20 6.231 -4.520 -12.596 1.00 65.33 H new ATOM 0 HG SER A 20 7.985 -3.825 -11.246 1.00 43.31 H new ATOM 271 N LYS A 21 3.665 -2.570 -14.535 1.00 55.15 N ATOM 272 CA LYS A 21 2.673 -3.150 -15.433 1.00 71.23 C ATOM 273 C LYS A 21 2.222 -4.519 -14.934 1.00 60.20 C ATOM 274 O LYS A 21 2.382 -5.527 -15.624 1.00 45.21 O ATOM 275 CB LYS A 21 3.246 -3.274 -16.847 1.00 75.40 C ATOM 276 CG LYS A 21 2.199 -3.144 -17.941 1.00 5.04 C ATOM 277 CD LYS A 21 1.432 -4.441 -18.136 1.00 3.01 C ATOM 278 CE LYS A 21 0.198 -4.497 -17.249 1.00 20.51 C ATOM 279 NZ LYS A 21 -1.042 -4.161 -18.002 1.00 1.13 N ATOM 0 H LYS A 21 3.463 -1.613 -14.246 1.00 55.15 H new ATOM 0 HA LYS A 21 1.808 -2.488 -15.455 1.00 71.23 H new ATOM 0 HB2 LYS A 21 4.007 -2.507 -16.990 1.00 75.40 H new ATOM 0 HB3 LYS A 21 3.744 -4.239 -16.945 1.00 75.40 H new ATOM 0 HG2 LYS A 21 1.504 -2.344 -17.687 1.00 5.04 H new ATOM 0 HG3 LYS A 21 2.682 -2.862 -18.876 1.00 5.04 H new ATOM 0 HD2 LYS A 21 1.135 -4.536 -19.181 1.00 3.01 H new ATOM 0 HD3 LYS A 21 2.082 -5.287 -17.911 1.00 3.01 H new ATOM 0 HE2 LYS A 21 0.104 -5.495 -16.821 1.00 20.51 H new ATOM 0 HE3 LYS A 21 0.317 -3.803 -16.417 1.00 20.51 H new ATOM 0 HZ1 LYS A 21 -1.861 -4.210 -17.362 1.00 1.13 H new ATOM 0 HZ2 LYS A 21 -0.963 -3.199 -18.390 1.00 1.13 H new ATOM 0 HZ3 LYS A 21 -1.170 -4.839 -18.781 1.00 1.13 H new ATOM 293 N LEU A 22 1.656 -4.549 -13.732 1.00 43.44 N ATOM 294 CA LEU A 22 1.180 -5.794 -13.141 1.00 63.42 C ATOM 295 C LEU A 22 -0.294 -5.689 -12.763 1.00 24.15 C ATOM 296 O LEU A 22 -0.746 -4.656 -12.269 1.00 33.33 O ATOM 297 CB LEU A 22 2.012 -6.147 -11.907 1.00 11.44 C ATOM 298 CG LEU A 22 3.518 -6.287 -12.130 1.00 21.42 C ATOM 299 CD1 LEU A 22 4.287 -5.784 -10.918 1.00 34.33 C ATOM 300 CD2 LEU A 22 3.880 -7.735 -12.430 1.00 13.32 C ATOM 0 H LEU A 22 1.516 -3.725 -13.148 1.00 43.44 H new ATOM 0 HA LEU A 22 1.290 -6.585 -13.883 1.00 63.42 H new ATOM 0 HB2 LEU A 22 1.847 -5.380 -11.151 1.00 11.44 H new ATOM 0 HB3 LEU A 22 1.637 -7.085 -11.497 1.00 11.44 H new ATOM 0 HG LEU A 22 3.797 -5.677 -12.990 1.00 21.42 H new ATOM 0 HD11 LEU A 22 5.357 -5.892 -11.096 1.00 34.33 H new ATOM 0 HD12 LEU A 22 4.051 -4.733 -10.748 1.00 34.33 H new ATOM 0 HD13 LEU A 22 4.004 -6.366 -10.041 1.00 34.33 H new ATOM 0 HD21 LEU A 22 4.956 -7.816 -12.586 1.00 13.32 H new ATOM 0 HD22 LEU A 22 3.587 -8.365 -11.590 1.00 13.32 H new ATOM 0 HD23 LEU A 22 3.357 -8.062 -13.329 1.00 13.32 H new ATOM 312 N VAL A 23 -1.038 -6.766 -12.995 1.00 45.14 N ATOM 313 CA VAL A 23 -2.460 -6.796 -12.676 1.00 23.23 C ATOM 314 C VAL A 23 -2.891 -8.186 -12.222 1.00 35.03 C ATOM 315 O VAL A 23 -2.483 -9.194 -12.799 1.00 32.43 O ATOM 316 CB VAL A 23 -3.316 -6.374 -13.885 1.00 2.05 C ATOM 317 CG1 VAL A 23 -4.786 -6.309 -13.501 1.00 13.10 C ATOM 318 CG2 VAL A 23 -2.840 -5.037 -14.433 1.00 62.41 C ATOM 0 H VAL A 23 -0.679 -7.629 -13.403 1.00 45.14 H new ATOM 0 HA VAL A 23 -2.618 -6.086 -11.864 1.00 23.23 H new ATOM 0 HB VAL A 23 -3.203 -7.123 -14.669 1.00 2.05 H new ATOM 0 HG11 VAL A 23 -5.375 -6.009 -14.367 1.00 13.10 H new ATOM 0 HG12 VAL A 23 -5.116 -7.290 -13.159 1.00 13.10 H new ATOM 0 HG13 VAL A 23 -4.921 -5.581 -12.701 1.00 13.10 H new ATOM 0 HG21 VAL A 23 -3.456 -4.754 -15.287 1.00 62.41 H new ATOM 0 HG22 VAL A 23 -2.923 -4.276 -13.657 1.00 62.41 H new ATOM 0 HG23 VAL A 23 -1.800 -5.122 -14.748 1.00 62.41 H new ATOM 328 N CYS A 24 -3.720 -8.233 -11.184 1.00 53.42 N ATOM 329 CA CYS A 24 -4.209 -9.499 -10.651 1.00 42.52 C ATOM 330 C CYS A 24 -5.273 -10.099 -11.565 1.00 70.13 C ATOM 331 O CYS A 24 -6.361 -9.544 -11.717 1.00 11.12 O ATOM 332 CB CYS A 24 -4.782 -9.298 -9.247 1.00 4.42 C ATOM 333 SG CYS A 24 -4.640 -10.760 -8.170 1.00 32.11 S ATOM 0 H CYS A 24 -4.067 -7.408 -10.695 1.00 53.42 H new ATOM 0 HA CYS A 24 -3.368 -10.191 -10.598 1.00 42.52 H new ATOM 0 HB2 CYS A 24 -4.270 -8.460 -8.774 1.00 4.42 H new ATOM 0 HB3 CYS A 24 -5.833 -9.023 -9.331 1.00 4.42 H new ATOM 338 N SER A 25 -4.950 -11.237 -12.172 1.00 14.01 N ATOM 339 CA SER A 25 -5.877 -11.912 -13.074 1.00 4.32 C ATOM 340 C SER A 25 -6.960 -12.647 -12.290 1.00 44.20 C ATOM 341 O SER A 25 -6.731 -13.097 -11.167 1.00 70.44 O ATOM 342 CB SER A 25 -5.123 -12.896 -13.970 1.00 42.02 C ATOM 343 OG SER A 25 -5.753 -13.022 -15.233 1.00 14.40 O ATOM 0 H SER A 25 -4.054 -11.711 -12.056 1.00 14.01 H new ATOM 0 HA SER A 25 -6.355 -11.156 -13.697 1.00 4.32 H new ATOM 0 HB2 SER A 25 -4.096 -12.556 -14.105 1.00 42.02 H new ATOM 0 HB3 SER A 25 -5.075 -13.871 -13.485 1.00 42.02 H new ATOM 0 HG SER A 25 -5.251 -13.655 -15.787 1.00 14.40 H new ATOM 349 N ARG A 26 -8.139 -12.764 -12.890 1.00 54.35 N ATOM 350 CA ARG A 26 -9.259 -13.443 -12.249 1.00 50.33 C ATOM 351 C ARG A 26 -9.091 -14.957 -12.324 1.00 72.51 C ATOM 352 O ARG A 26 -9.595 -15.692 -11.474 1.00 53.21 O ATOM 353 CB ARG A 26 -10.577 -13.032 -12.908 1.00 52.30 C ATOM 354 CG ARG A 26 -10.930 -11.568 -12.703 1.00 11.41 C ATOM 355 CD ARG A 26 -11.897 -11.073 -13.768 1.00 23.14 C ATOM 356 NE ARG A 26 -11.301 -11.097 -15.101 1.00 13.21 N ATOM 357 CZ ARG A 26 -10.490 -10.151 -15.560 1.00 45.11 C ATOM 358 NH1 ARG A 26 -10.178 -9.112 -14.797 1.00 61.32 N ATOM 359 NH2 ARG A 26 -9.987 -10.243 -16.785 1.00 33.11 N ATOM 0 H ARG A 26 -8.344 -12.397 -13.819 1.00 54.35 H new ATOM 0 HA ARG A 26 -9.278 -13.148 -11.200 1.00 50.33 H new ATOM 0 HB2 ARG A 26 -10.518 -13.237 -13.977 1.00 52.30 H new ATOM 0 HB3 ARG A 26 -11.381 -13.650 -12.509 1.00 52.30 H new ATOM 0 HG2 ARG A 26 -11.374 -11.434 -11.717 1.00 11.41 H new ATOM 0 HG3 ARG A 26 -10.021 -10.967 -12.727 1.00 11.41 H new ATOM 0 HD2 ARG A 26 -12.793 -11.693 -13.760 1.00 23.14 H new ATOM 0 HD3 ARG A 26 -12.210 -10.057 -13.529 1.00 23.14 H new ATOM 0 HE ARG A 26 -11.520 -11.883 -15.713 1.00 13.21 H new ATOM 0 HH11 ARG A 26 -10.561 -9.038 -13.855 1.00 61.32 H new ATOM 0 HH12 ARG A 26 -9.555 -8.387 -15.153 1.00 61.32 H new ATOM 0 HH21 ARG A 26 -10.223 -11.041 -17.375 1.00 33.11 H new ATOM 0 HH22 ARG A 26 -9.364 -9.516 -17.137 1.00 33.11 H new ATOM 373 N LYS A 27 -8.380 -15.419 -13.347 1.00 51.12 N ATOM 374 CA LYS A 27 -8.144 -16.846 -13.534 1.00 53.42 C ATOM 375 C LYS A 27 -6.865 -17.283 -12.828 1.00 11.25 C ATOM 376 O LYS A 27 -6.809 -18.359 -12.231 1.00 51.12 O ATOM 377 CB LYS A 27 -8.055 -17.178 -15.025 1.00 43.44 C ATOM 378 CG LYS A 27 -8.282 -18.647 -15.336 1.00 53.22 C ATOM 379 CD LYS A 27 -9.735 -19.042 -15.129 1.00 62.12 C ATOM 380 CE LYS A 27 -9.923 -20.548 -15.232 1.00 3.10 C ATOM 381 NZ LYS A 27 -9.690 -21.226 -13.927 1.00 31.31 N ATOM 0 H LYS A 27 -7.957 -14.825 -14.060 1.00 51.12 H new ATOM 0 HA LYS A 27 -8.983 -17.388 -13.097 1.00 53.42 H new ATOM 0 HB2 LYS A 27 -8.791 -16.583 -15.566 1.00 43.44 H new ATOM 0 HB3 LYS A 27 -7.073 -16.884 -15.396 1.00 43.44 H new ATOM 0 HG2 LYS A 27 -7.992 -18.851 -16.367 1.00 53.22 H new ATOM 0 HG3 LYS A 27 -7.643 -19.258 -14.698 1.00 53.22 H new ATOM 0 HD2 LYS A 27 -10.071 -18.698 -14.151 1.00 62.12 H new ATOM 0 HD3 LYS A 27 -10.358 -18.545 -15.873 1.00 62.12 H new ATOM 0 HE2 LYS A 27 -10.933 -20.765 -15.579 1.00 3.10 H new ATOM 0 HE3 LYS A 27 -9.237 -20.950 -15.978 1.00 3.10 H new ATOM 0 HZ1 LYS A 27 -9.828 -22.251 -14.039 1.00 31.31 H new ATOM 0 HZ2 LYS A 27 -8.718 -21.040 -13.608 1.00 31.31 H new ATOM 0 HZ3 LYS A 27 -10.362 -20.861 -13.222 1.00 31.31 H new ATOM 395 N THR A 28 -5.839 -16.441 -12.897 1.00 4.22 N ATOM 396 CA THR A 28 -4.560 -16.740 -12.264 1.00 35.24 C ATOM 397 C THR A 28 -4.567 -16.337 -10.793 1.00 75.44 C ATOM 398 O THR A 28 -3.903 -16.961 -9.966 1.00 61.40 O ATOM 399 CB THR A 28 -3.399 -16.021 -12.976 1.00 21.55 C ATOM 400 OG1 THR A 28 -3.244 -14.699 -12.448 1.00 71.21 O ATOM 401 CG2 THR A 28 -3.645 -15.949 -14.475 1.00 30.20 C ATOM 0 H THR A 28 -5.869 -15.546 -13.385 1.00 4.22 H new ATOM 0 HA THR A 28 -4.413 -17.817 -12.342 1.00 35.24 H new ATOM 0 HB THR A 28 -2.486 -16.590 -12.801 1.00 21.55 H new ATOM 0 HG1 THR A 28 -2.438 -14.661 -11.892 1.00 71.21 H new ATOM 0 HG21 THR A 28 -2.812 -15.437 -14.956 1.00 30.20 H new ATOM 0 HG22 THR A 28 -3.733 -16.958 -14.878 1.00 30.20 H new ATOM 0 HG23 THR A 28 -4.567 -15.400 -14.666 1.00 30.20 H new ATOM 409 N ARG A 29 -5.323 -15.292 -10.475 1.00 11.42 N ATOM 410 CA ARG A 29 -5.416 -14.806 -9.103 1.00 41.54 C ATOM 411 C ARG A 29 -4.052 -14.346 -8.596 1.00 52.32 C ATOM 412 O ARG A 29 -3.749 -14.463 -7.409 1.00 1.11 O ATOM 413 CB ARG A 29 -5.970 -15.899 -8.189 1.00 21.25 C ATOM 414 CG ARG A 29 -7.464 -16.129 -8.350 1.00 24.41 C ATOM 415 CD ARG A 29 -7.966 -17.211 -7.406 1.00 63.03 C ATOM 416 NE ARG A 29 -7.633 -18.551 -7.883 1.00 1.22 N ATOM 417 CZ ARG A 29 -8.243 -19.140 -8.905 1.00 33.12 C ATOM 418 NH1 ARG A 29 -9.213 -18.511 -9.555 1.00 3.25 N ATOM 419 NH2 ARG A 29 -7.884 -20.361 -9.279 1.00 60.32 N ATOM 0 H ARG A 29 -5.880 -14.765 -11.148 1.00 11.42 H new ATOM 0 HA ARG A 29 -6.095 -13.954 -9.091 1.00 41.54 H new ATOM 0 HB2 ARG A 29 -5.444 -16.832 -8.392 1.00 21.25 H new ATOM 0 HB3 ARG A 29 -5.761 -15.634 -7.152 1.00 21.25 H new ATOM 0 HG2 ARG A 29 -7.999 -15.199 -8.157 1.00 24.41 H new ATOM 0 HG3 ARG A 29 -7.681 -16.414 -9.380 1.00 24.41 H new ATOM 0 HD2 ARG A 29 -7.532 -17.060 -6.418 1.00 63.03 H new ATOM 0 HD3 ARG A 29 -9.047 -17.123 -7.296 1.00 63.03 H new ATOM 0 HE ARG A 29 -6.891 -19.062 -7.405 1.00 1.22 H new ATOM 0 HH11 ARG A 29 -9.492 -17.572 -9.270 1.00 3.25 H new ATOM 0 HH12 ARG A 29 -9.680 -18.966 -10.340 1.00 3.25 H new ATOM 0 HH21 ARG A 29 -7.139 -20.848 -8.781 1.00 60.32 H new ATOM 0 HH22 ARG A 29 -8.353 -20.813 -10.064 1.00 60.32 H new ATOM 433 N TRP A 30 -3.235 -13.823 -9.503 1.00 70.45 N ATOM 434 CA TRP A 30 -1.903 -13.347 -9.148 1.00 13.51 C ATOM 435 C TRP A 30 -1.431 -12.274 -10.123 1.00 1.31 C ATOM 436 O TRP A 30 -1.817 -12.270 -11.292 1.00 62.12 O ATOM 437 CB TRP A 30 -0.910 -14.510 -9.130 1.00 54.12 C ATOM 438 CG TRP A 30 -0.456 -14.924 -10.497 1.00 44.41 C ATOM 439 CD1 TRP A 30 0.212 -14.154 -11.407 1.00 12.24 C ATOM 440 CD2 TRP A 30 -0.637 -16.205 -11.109 1.00 61.12 C ATOM 441 NE1 TRP A 30 0.456 -14.880 -12.547 1.00 42.34 N ATOM 442 CE2 TRP A 30 -0.054 -16.141 -12.390 1.00 24.32 C ATOM 443 CE3 TRP A 30 -1.233 -17.401 -10.700 1.00 12.34 C ATOM 444 CZ2 TRP A 30 -0.052 -17.227 -13.261 1.00 43.05 C ATOM 445 CZ3 TRP A 30 -1.231 -18.477 -11.566 1.00 62.20 C ATOM 446 CH2 TRP A 30 -0.643 -18.385 -12.835 1.00 23.15 C ATOM 0 H TRP A 30 -3.471 -13.718 -10.490 1.00 70.45 H new ATOM 0 HA TRP A 30 -1.955 -12.909 -8.151 1.00 13.51 H new ATOM 0 HB2 TRP A 30 -0.041 -14.227 -8.536 1.00 54.12 H new ATOM 0 HB3 TRP A 30 -1.371 -15.364 -8.634 1.00 54.12 H new ATOM 0 HD1 TRP A 30 0.505 -13.126 -11.253 1.00 12.24 H new ATOM 0 HE1 TRP A 30 0.939 -14.535 -13.377 1.00 42.34 H new ATOM 0 HE3 TRP A 30 -1.687 -17.483 -9.724 1.00 12.34 H new ATOM 0 HZ2 TRP A 30 0.400 -17.158 -14.239 1.00 43.05 H new ATOM 0 HZ3 TRP A 30 -1.690 -19.405 -11.260 1.00 62.20 H new ATOM 0 HH2 TRP A 30 -0.657 -19.244 -13.489 1.00 23.15 H new ATOM 457 N CYS A 31 -0.594 -11.364 -9.635 1.00 65.43 N ATOM 458 CA CYS A 31 -0.068 -10.286 -10.464 1.00 13.25 C ATOM 459 C CYS A 31 0.808 -10.838 -11.584 1.00 53.15 C ATOM 460 O CYS A 31 1.884 -11.383 -11.336 1.00 55.42 O ATOM 461 CB CYS A 31 0.736 -9.304 -9.609 1.00 62.12 C ATOM 462 SG CYS A 31 -0.179 -8.637 -8.182 1.00 50.04 S ATOM 0 H CYS A 31 -0.266 -11.352 -8.669 1.00 65.43 H new ATOM 0 HA CYS A 31 -0.912 -9.761 -10.913 1.00 13.25 H new ATOM 0 HB2 CYS A 31 1.635 -9.804 -9.249 1.00 62.12 H new ATOM 0 HB3 CYS A 31 1.063 -8.475 -10.237 1.00 62.12 H new ATOM 467 N LYS A 32 0.339 -10.693 -12.819 1.00 64.05 N ATOM 468 CA LYS A 32 1.079 -11.175 -13.980 1.00 51.11 C ATOM 469 C LYS A 32 1.757 -10.020 -14.711 1.00 31.40 C ATOM 470 O LYS A 32 1.342 -8.868 -14.589 1.00 42.32 O ATOM 471 CB LYS A 32 0.142 -11.917 -14.935 1.00 72.25 C ATOM 472 CG LYS A 32 -0.832 -11.006 -15.662 1.00 73.21 C ATOM 473 CD LYS A 32 -2.179 -11.679 -15.866 1.00 33.31 C ATOM 474 CE LYS A 32 -2.770 -11.343 -17.226 1.00 52.05 C ATOM 475 NZ LYS A 32 -2.105 -12.101 -18.323 1.00 14.34 N ATOM 0 H LYS A 32 -0.550 -10.246 -13.042 1.00 64.05 H new ATOM 0 HA LYS A 32 1.849 -11.862 -13.629 1.00 51.11 H new ATOM 0 HB2 LYS A 32 0.739 -12.457 -15.670 1.00 72.25 H new ATOM 0 HB3 LYS A 32 -0.421 -12.662 -14.373 1.00 72.25 H new ATOM 0 HG2 LYS A 32 -0.966 -10.087 -15.092 1.00 73.21 H new ATOM 0 HG3 LYS A 32 -0.415 -10.724 -16.629 1.00 73.21 H new ATOM 0 HD2 LYS A 32 -2.065 -12.759 -15.775 1.00 33.31 H new ATOM 0 HD3 LYS A 32 -2.867 -11.364 -15.081 1.00 33.31 H new ATOM 0 HE2 LYS A 32 -3.837 -11.568 -17.224 1.00 52.05 H new ATOM 0 HE3 LYS A 32 -2.670 -10.274 -17.411 1.00 52.05 H new ATOM 0 HZ1 LYS A 32 -2.536 -11.844 -19.234 1.00 14.34 H new ATOM 0 HZ2 LYS A 32 -1.092 -11.867 -18.342 1.00 14.34 H new ATOM 0 HZ3 LYS A 32 -2.222 -13.122 -18.160 1.00 14.34 H new ATOM 489 N TRP A 33 2.799 -10.338 -15.470 1.00 41.23 N ATOM 490 CA TRP A 33 3.533 -9.326 -16.222 1.00 61.20 C ATOM 491 C TRP A 33 3.032 -9.246 -17.660 1.00 20.12 C ATOM 492 O TRP A 33 3.245 -10.164 -18.452 1.00 11.32 O ATOM 493 CB TRP A 33 5.031 -9.637 -16.207 1.00 73.14 C ATOM 494 CG TRP A 33 5.892 -8.415 -16.317 1.00 21.42 C ATOM 495 CD1 TRP A 33 5.515 -7.185 -16.773 1.00 51.14 C ATOM 496 CD2 TRP A 33 7.276 -8.308 -15.965 1.00 33.14 C ATOM 497 NE1 TRP A 33 6.581 -6.319 -16.726 1.00 52.03 N ATOM 498 CE2 TRP A 33 7.672 -6.983 -16.233 1.00 63.40 C ATOM 499 CE3 TRP A 33 8.217 -9.201 -15.447 1.00 24.23 C ATOM 500 CZ2 TRP A 33 8.970 -6.534 -16.002 1.00 15.33 C ATOM 501 CZ3 TRP A 33 9.505 -8.753 -15.218 1.00 34.51 C ATOM 502 CH2 TRP A 33 9.871 -7.430 -15.494 1.00 41.44 C ATOM 0 H TRP A 33 3.155 -11.287 -15.581 1.00 41.23 H new ATOM 0 HA TRP A 33 3.365 -8.361 -15.744 1.00 61.20 H new ATOM 0 HB2 TRP A 33 5.276 -10.164 -15.285 1.00 73.14 H new ATOM 0 HB3 TRP A 33 5.263 -10.312 -17.031 1.00 73.14 H new ATOM 0 HD1 TRP A 33 4.525 -6.930 -17.120 1.00 51.14 H new ATOM 0 HE1 TRP A 33 6.562 -5.340 -17.012 1.00 52.03 H new ATOM 0 HE3 TRP A 33 7.944 -10.223 -15.229 1.00 24.23 H new ATOM 0 HZ2 TRP A 33 9.255 -5.515 -16.216 1.00 15.33 H new ATOM 0 HZ3 TRP A 33 10.241 -9.435 -14.819 1.00 34.51 H new ATOM 0 HH2 TRP A 33 10.885 -7.110 -15.302 1.00 41.44 H new ATOM 513 N GLN A 34 2.366 -8.144 -17.989 1.00 63.05 N ATOM 514 CA GLN A 34 1.835 -7.946 -19.333 1.00 20.21 C ATOM 515 C GLN A 34 2.782 -7.095 -20.173 1.00 33.22 C ATOM 516 O GLN A 34 3.394 -6.152 -19.671 1.00 61.01 O ATOM 517 CB GLN A 34 0.458 -7.284 -19.267 1.00 34.20 C ATOM 518 CG GLN A 34 -0.689 -8.234 -19.573 1.00 12.01 C ATOM 519 CD GLN A 34 -0.908 -8.425 -21.061 1.00 24.12 C ATOM 520 OE1 GLN A 34 -1.611 -7.644 -21.702 1.00 60.02 O ATOM 521 NE2 GLN A 34 -0.304 -9.468 -21.619 1.00 20.01 N ATOM 0 H GLN A 34 2.181 -7.375 -17.344 1.00 63.05 H new ATOM 0 HA GLN A 34 1.738 -8.923 -19.806 1.00 20.21 H new ATOM 0 HB2 GLN A 34 0.314 -6.862 -18.272 1.00 34.20 H new ATOM 0 HB3 GLN A 34 0.429 -6.454 -19.972 1.00 34.20 H new ATOM 0 HG2 GLN A 34 -0.487 -9.201 -19.112 1.00 12.01 H new ATOM 0 HG3 GLN A 34 -1.604 -7.850 -19.121 1.00 12.01 H new ATOM 0 HE21 GLN A 34 0.270 -10.090 -21.049 1.00 20.01 H new ATOM 0 HE22 GLN A 34 -0.414 -9.647 -22.617 1.00 20.01 H new ATOM 530 N ILE A 35 2.897 -7.435 -21.452 1.00 52.43 N ATOM 531 CA ILE A 35 3.768 -6.701 -22.361 1.00 44.13 C ATOM 532 C ILE A 35 3.154 -5.360 -22.749 1.00 64.14 C ATOM 533 O ILE A 35 3.790 -4.314 -22.621 1.00 51.40 O ATOM 534 CB ILE A 35 4.057 -7.510 -23.640 1.00 4.43 C ATOM 535 CG1 ILE A 35 5.038 -6.752 -24.538 1.00 35.21 C ATOM 536 CG2 ILE A 35 2.764 -7.801 -24.386 1.00 31.34 C ATOM 537 CD1 ILE A 35 6.392 -6.529 -23.902 1.00 33.33 C ATOM 0 H ILE A 35 2.398 -8.214 -21.882 1.00 52.43 H new ATOM 0 HA ILE A 35 4.704 -6.529 -21.830 1.00 44.13 H new ATOM 0 HB ILE A 35 4.512 -8.459 -23.357 1.00 4.43 H new ATOM 0 HG12 ILE A 35 5.169 -7.306 -25.468 1.00 35.21 H new ATOM 0 HG13 ILE A 35 4.606 -5.786 -24.801 1.00 35.21 H new ATOM 0 HG21 ILE A 35 2.985 -8.373 -25.287 1.00 31.34 H new ATOM 0 HG22 ILE A 35 2.096 -8.377 -23.745 1.00 31.34 H new ATOM 0 HG23 ILE A 35 2.283 -6.862 -24.661 1.00 31.34 H new ATOM 0 HD11 ILE A 35 7.035 -5.986 -24.595 1.00 33.33 H new ATOM 0 HD12 ILE A 35 6.273 -5.948 -22.987 1.00 33.33 H new ATOM 0 HD13 ILE A 35 6.845 -7.491 -23.665 1.00 33.33 H new