USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 256 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 1 ASP N :NH3+ -167:sc= 0.34 (180deg=0.113) USER MOD Single : A 9 GLN : amide:sc= -0.428 K(o=-0.43,f=-1.5) USER MOD Single : A 11 SER OG : rot 160:sc= 0.303 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 20 ASN : amide:sc= 1.14 K(o=1.1,f=-7.8!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= 1.52 (180deg=-0.206) USER MOD Single : A 31 SER OG : rot -174:sc= 0.471 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.675 -6.412 -5.186 1.00 0.00 N ATOM 2 CA ASP A 1 -7.544 -7.370 -4.076 1.00 0.00 C ATOM 3 C ASP A 1 -7.071 -6.555 -2.876 1.00 0.00 C ATOM 4 O ASP A 1 -7.037 -5.335 -2.984 1.00 0.00 O ATOM 5 CB ASP A 1 -6.528 -8.456 -4.425 1.00 0.00 C ATOM 6 CG ASP A 1 -5.135 -7.877 -4.479 1.00 0.00 C ATOM 7 OD1 ASP A 1 -5.045 -6.664 -4.774 1.00 0.00 O ATOM 8 OD2 ASP A 1 -4.191 -8.645 -4.223 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.199 -6.855 -5.967 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.189 -5.569 -4.858 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.729 -6.134 -5.518 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.487 -7.875 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -6.569 -9.253 -3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -6.780 -8.903 -5.387 1.00 0.00 H new ATOM 15 N ILE A 2 -6.680 -7.163 -1.764 1.00 0.00 N ATOM 16 CA ILE A 2 -6.291 -6.398 -0.582 1.00 0.00 C ATOM 17 C ILE A 2 -5.022 -5.576 -0.835 1.00 0.00 C ATOM 18 O ILE A 2 -4.853 -4.515 -0.247 1.00 0.00 O ATOM 19 CB ILE A 2 -6.147 -7.374 0.589 1.00 0.00 C ATOM 20 CG1 ILE A 2 -6.491 -6.926 2.004 1.00 0.00 C ATOM 21 CG2 ILE A 2 -4.816 -8.118 0.612 1.00 0.00 C ATOM 22 CD1 ILE A 2 -5.919 -5.587 2.417 1.00 0.00 C ATOM 0 H ILE A 2 -6.623 -8.175 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.060 -5.665 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.971 -8.035 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.576 -6.884 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.138 -7.684 2.703 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.790 -8.790 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.707 -8.696 -0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.999 -7.400 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.222 -5.362 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.831 -5.623 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.291 -4.811 1.749 1.00 0.00 H new ATOM 34 N CYS A 3 -4.133 -6.013 -1.731 1.00 0.00 N ATOM 35 CA CYS A 3 -3.025 -5.159 -2.151 1.00 0.00 C ATOM 36 C CYS A 3 -3.598 -3.872 -2.724 1.00 0.00 C ATOM 37 O CYS A 3 -3.196 -2.775 -2.340 1.00 0.00 O ATOM 38 CB CYS A 3 -2.155 -5.833 -3.219 1.00 0.00 C ATOM 39 SG CYS A 3 -0.577 -6.465 -2.644 1.00 0.00 S ATOM 0 H CYS A 3 -4.158 -6.933 -2.170 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.397 -4.962 -1.282 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.719 -6.657 -3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.970 -5.115 -4.018 1.00 0.00 H new ATOM 44 N ASP A 4 -4.556 -4.003 -3.643 1.00 0.00 N ATOM 45 CA ASP A 4 -5.185 -2.838 -4.251 1.00 0.00 C ATOM 46 C ASP A 4 -5.835 -1.973 -3.178 1.00 0.00 C ATOM 47 O ASP A 4 -5.667 -0.760 -3.192 1.00 0.00 O ATOM 48 CB ASP A 4 -6.203 -3.233 -5.319 1.00 0.00 C ATOM 49 CG ASP A 4 -7.056 -2.049 -5.703 1.00 0.00 C ATOM 50 OD1 ASP A 4 -6.554 -1.134 -6.385 1.00 0.00 O ATOM 51 OD2 ASP A 4 -8.252 -2.066 -5.355 1.00 0.00 O ATOM 0 H ASP A 4 -4.909 -4.899 -3.978 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.406 -2.260 -4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.685 -3.616 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.836 -4.038 -4.946 1.00 0.00 H new ATOM 56 N ILE A 5 -6.555 -2.598 -2.247 1.00 0.00 N ATOM 57 CA ILE A 5 -7.140 -1.911 -1.100 1.00 0.00 C ATOM 58 C ILE A 5 -6.066 -1.070 -0.403 1.00 0.00 C ATOM 59 O ILE A 5 -6.197 0.144 -0.285 1.00 0.00 O ATOM 60 CB ILE A 5 -7.788 -2.910 -0.123 1.00 0.00 C ATOM 61 CG1 ILE A 5 -8.921 -3.690 -0.796 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.336 -2.226 1.130 1.00 0.00 C ATOM 63 CD1 ILE A 5 -9.661 -4.631 0.151 1.00 0.00 C ATOM 0 H ILE A 5 -6.749 -3.599 -2.269 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.931 -1.249 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.995 -3.596 0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.633 -2.984 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.511 -4.269 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.782 -2.973 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.524 -1.721 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.093 -1.495 0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.449 -5.150 -0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -8.961 -5.361 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -10.101 -4.055 0.965 1.00 0.00 H new ATOM 75 N ALA A 6 -4.999 -1.708 0.069 1.00 0.00 N ATOM 76 CA ALA A 6 -3.919 -1.055 0.789 1.00 0.00 C ATOM 77 C ALA A 6 -3.328 0.088 -0.030 1.00 0.00 C ATOM 78 O ALA A 6 -2.982 1.126 0.529 1.00 0.00 O ATOM 79 CB ALA A 6 -2.852 -2.097 1.137 1.00 0.00 C ATOM 0 H ALA A 6 -4.862 -2.713 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.309 -0.620 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.037 -1.616 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.293 -2.875 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.466 -2.543 0.220 1.00 0.00 H new ATOM 85 N ILE A 7 -3.222 -0.074 -1.347 1.00 0.00 N ATOM 86 CA ILE A 7 -2.711 0.960 -2.234 1.00 0.00 C ATOM 87 C ILE A 7 -3.706 2.111 -2.375 1.00 0.00 C ATOM 88 O ILE A 7 -3.296 3.273 -2.384 1.00 0.00 O ATOM 89 CB ILE A 7 -2.294 0.334 -3.573 1.00 0.00 C ATOM 90 CG1 ILE A 7 -1.067 -0.560 -3.325 1.00 0.00 C ATOM 91 CG2 ILE A 7 -1.954 1.401 -4.624 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.883 -1.583 -4.442 1.00 0.00 C ATOM 0 H ILE A 7 -3.491 -0.932 -1.828 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.816 1.407 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.129 -0.248 -3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.174 0.060 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.179 -1.077 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.664 0.915 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.827 2.030 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.129 2.016 -4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.007 -2.197 -4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.766 -2.219 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.745 -1.065 -5.391 1.00 0.00 H new ATOM 104 N ALA A 8 -5.001 1.805 -2.460 1.00 0.00 N ATOM 105 CA ALA A 8 -6.052 2.804 -2.532 1.00 0.00 C ATOM 106 C ALA A 8 -6.050 3.625 -1.243 1.00 0.00 C ATOM 107 O ALA A 8 -6.136 4.854 -1.273 1.00 0.00 O ATOM 108 CB ALA A 8 -7.393 2.097 -2.745 1.00 0.00 C ATOM 0 H ALA A 8 -5.347 0.846 -2.481 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.885 3.483 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.190 2.838 -2.801 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.361 1.528 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.584 1.420 -1.912 1.00 0.00 H new ATOM 114 N GLN A 9 -5.900 2.918 -0.123 1.00 0.00 N ATOM 115 CA GLN A 9 -5.839 3.464 1.224 1.00 0.00 C ATOM 116 C GLN A 9 -4.498 4.157 1.462 1.00 0.00 C ATOM 117 O GLN A 9 -4.380 4.980 2.374 1.00 0.00 O ATOM 118 CB GLN A 9 -6.000 2.310 2.229 1.00 0.00 C ATOM 119 CG GLN A 9 -7.467 1.883 2.361 1.00 0.00 C ATOM 120 CD GLN A 9 -7.748 1.090 3.636 1.00 0.00 C ATOM 121 OE1 GLN A 9 -7.115 1.298 4.674 1.00 0.00 O ATOM 122 NE2 GLN A 9 -8.716 0.192 3.579 1.00 0.00 N ATOM 0 H GLN A 9 -5.814 1.902 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.636 4.197 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.399 1.459 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.620 2.618 3.203 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.100 2.770 2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.743 1.279 1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.222 0.042 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.957 -0.351 4.408 1.00 0.00 H new ATOM 131 N CYS A 10 -3.514 3.771 0.654 1.00 0.00 N ATOM 132 CA CYS A 10 -2.096 4.049 0.704 1.00 0.00 C ATOM 133 C CYS A 10 -1.639 3.860 2.143 1.00 0.00 C ATOM 134 O CYS A 10 -1.326 4.818 2.846 1.00 0.00 O ATOM 135 CB CYS A 10 -1.710 5.428 0.196 1.00 0.00 C ATOM 136 SG CYS A 10 -2.752 6.862 0.506 1.00 0.00 S ATOM 0 H CYS A 10 -3.729 3.182 -0.150 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.596 3.356 0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.726 5.655 0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.593 5.348 -0.885 1.00 0.00 H new ATOM 141 N SER A 11 -1.637 2.606 2.579 1.00 0.00 N ATOM 142 CA SER A 11 -1.358 2.189 3.940 1.00 0.00 C ATOM 143 C SER A 11 -0.306 1.089 3.907 1.00 0.00 C ATOM 144 O SER A 11 -0.580 -0.022 3.457 1.00 0.00 O ATOM 145 CB SER A 11 -2.649 1.666 4.571 1.00 0.00 C ATOM 146 OG SER A 11 -2.406 1.230 5.898 1.00 0.00 O ATOM 0 H SER A 11 -1.840 1.819 1.962 1.00 0.00 H new ATOM 0 HA SER A 11 -0.986 3.027 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.406 2.451 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.045 0.842 3.977 1.00 0.00 H new ATOM 0 HG SER A 11 -3.251 1.203 6.393 1.00 0.00 H new ATOM 152 N LEU A 12 0.886 1.378 4.420 1.00 0.00 N ATOM 153 CA LEU A 12 1.925 0.374 4.563 1.00 0.00 C ATOM 154 C LEU A 12 1.473 -0.693 5.555 1.00 0.00 C ATOM 155 O LEU A 12 1.684 -1.883 5.342 1.00 0.00 O ATOM 156 CB LEU A 12 3.231 1.034 4.999 1.00 0.00 C ATOM 157 CG LEU A 12 3.727 2.060 3.969 1.00 0.00 C ATOM 158 CD1 LEU A 12 5.023 2.655 4.492 1.00 0.00 C ATOM 159 CD2 LEU A 12 4.034 1.429 2.610 1.00 0.00 C ATOM 0 H LEU A 12 1.154 2.307 4.745 1.00 0.00 H new ATOM 0 HA LEU A 12 2.104 -0.112 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.085 1.526 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.993 0.269 5.145 1.00 0.00 H new ATOM 0 HG LEU A 12 2.940 2.802 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.400 3.389 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.840 3.140 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.761 1.863 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.380 2.199 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.809 0.672 2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.131 0.966 2.212 1.00 0.00 H new ATOM 171 N THR A 13 0.803 -0.294 6.630 1.00 0.00 N ATOM 172 CA THR A 13 0.296 -1.272 7.570 1.00 0.00 C ATOM 173 C THR A 13 -0.711 -2.195 6.889 1.00 0.00 C ATOM 174 O THR A 13 -0.614 -3.415 7.025 1.00 0.00 O ATOM 175 CB THR A 13 -0.252 -0.579 8.820 1.00 0.00 C ATOM 176 OG1 THR A 13 0.745 0.287 9.337 1.00 0.00 O ATOM 177 CG2 THR A 13 -0.627 -1.621 9.875 1.00 0.00 C ATOM 0 H THR A 13 0.604 0.678 6.865 1.00 0.00 H new ATOM 0 HA THR A 13 1.111 -1.911 7.910 1.00 0.00 H new ATOM 0 HB THR A 13 -1.143 -0.007 8.560 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.404 0.738 10.137 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.016 -1.118 10.761 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.389 -2.288 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.256 -2.200 10.145 1.00 0.00 H new ATOM 185 N LEU A 14 -1.663 -1.651 6.129 1.00 0.00 N ATOM 186 CA LEU A 14 -2.631 -2.501 5.450 1.00 0.00 C ATOM 187 C LEU A 14 -1.929 -3.382 4.405 1.00 0.00 C ATOM 188 O LEU A 14 -2.393 -4.477 4.108 1.00 0.00 O ATOM 189 CB LEU A 14 -3.781 -1.661 4.873 1.00 0.00 C ATOM 190 CG LEU A 14 -5.217 -2.212 4.994 1.00 0.00 C ATOM 191 CD1 LEU A 14 -5.970 -1.994 3.681 1.00 0.00 C ATOM 192 CD2 LEU A 14 -5.348 -3.679 5.399 1.00 0.00 C ATOM 0 H LEU A 14 -1.781 -0.650 5.973 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.087 -3.181 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.757 -0.685 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.575 -1.497 3.815 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.650 -1.646 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.983 -2.385 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.012 -0.928 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.453 -2.513 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.403 -3.949 5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.848 -4.306 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.887 -3.830 6.375 1.00 0.00 H new ATOM 204 N CYS A 15 -0.771 -2.968 3.876 1.00 0.00 N ATOM 205 CA CYS A 15 -0.035 -3.827 2.942 1.00 0.00 C ATOM 206 C CYS A 15 0.316 -5.153 3.599 1.00 0.00 C ATOM 207 O CYS A 15 0.392 -6.175 2.924 1.00 0.00 O ATOM 208 CB CYS A 15 1.250 -3.192 2.400 1.00 0.00 C ATOM 209 SG CYS A 15 1.034 -2.025 1.052 1.00 0.00 S ATOM 0 H CYS A 15 -0.333 -2.068 4.072 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.706 -3.978 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.755 -2.682 3.220 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.913 -3.989 2.063 1.00 0.00 H new ATOM 214 N GLN A 16 0.513 -5.165 4.919 1.00 0.00 N ATOM 215 CA GLN A 16 0.839 -6.387 5.631 1.00 0.00 C ATOM 216 C GLN A 16 -0.249 -7.457 5.501 1.00 0.00 C ATOM 217 O GLN A 16 0.037 -8.628 5.752 1.00 0.00 O ATOM 218 CB GLN A 16 1.192 -6.089 7.092 1.00 0.00 C ATOM 219 CG GLN A 16 2.342 -5.071 7.177 1.00 0.00 C ATOM 220 CD GLN A 16 2.881 -4.955 8.594 1.00 0.00 C ATOM 221 OE1 GLN A 16 2.760 -3.919 9.245 1.00 0.00 O ATOM 222 NE2 GLN A 16 3.474 -6.025 9.100 1.00 0.00 N ATOM 0 H GLN A 16 0.451 -4.337 5.511 1.00 0.00 H new ATOM 0 HA GLN A 16 1.724 -6.811 5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.316 -5.700 7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.478 -7.011 7.598 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.146 -5.371 6.505 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.992 -4.096 6.839 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.562 -6.873 8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.843 -6.002 10.051 1.00 0.00 H new ATOM 231 N ASP A 17 -1.469 -7.102 5.094 1.00 0.00 N ATOM 232 CA ASP A 17 -2.514 -8.084 4.840 1.00 0.00 C ATOM 233 C ASP A 17 -2.236 -8.833 3.542 1.00 0.00 C ATOM 234 O ASP A 17 -2.668 -9.975 3.388 1.00 0.00 O ATOM 235 CB ASP A 17 -3.877 -7.401 4.682 1.00 0.00 C ATOM 236 CG ASP A 17 -4.524 -7.002 5.989 1.00 0.00 C ATOM 237 OD1 ASP A 17 -3.889 -6.332 6.832 1.00 0.00 O ATOM 238 OD2 ASP A 17 -5.697 -7.373 6.191 1.00 0.00 O ATOM 0 H ASP A 17 -1.754 -6.136 4.934 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.526 -8.768 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.756 -6.512 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.548 -8.073 4.147 1.00 0.00 H new ATOM 243 N CYS A 18 -1.625 -8.175 2.558 1.00 0.00 N ATOM 244 CA CYS A 18 -1.563 -8.692 1.196 1.00 0.00 C ATOM 245 C CYS A 18 -0.564 -9.850 1.081 1.00 0.00 C ATOM 246 O CYS A 18 0.306 -10.007 1.937 1.00 0.00 O ATOM 247 CB CYS A 18 -1.210 -7.562 0.216 1.00 0.00 C ATOM 248 SG CYS A 18 -1.094 -8.120 -1.500 1.00 0.00 S ATOM 0 H CYS A 18 -1.162 -7.275 2.683 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.546 -9.085 0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.965 -6.779 0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.260 -7.116 0.512 1.00 0.00 H new ATOM 253 N GLU A 19 -0.676 -10.637 0.003 1.00 0.00 N ATOM 254 CA GLU A 19 0.246 -11.677 -0.426 1.00 0.00 C ATOM 255 C GLU A 19 1.681 -11.293 -0.071 1.00 0.00 C ATOM 256 O GLU A 19 2.376 -12.058 0.604 1.00 0.00 O ATOM 257 CB GLU A 19 0.088 -11.832 -1.942 1.00 0.00 C ATOM 258 CG GLU A 19 1.094 -12.768 -2.633 1.00 0.00 C ATOM 259 CD GLU A 19 1.662 -12.129 -3.883 1.00 0.00 C ATOM 260 OE1 GLU A 19 2.351 -11.096 -3.760 1.00 0.00 O ATOM 261 OE2 GLU A 19 1.408 -12.651 -4.987 1.00 0.00 O ATOM 0 H GLU A 19 -1.471 -10.552 -0.631 1.00 0.00 H new ATOM 0 HA GLU A 19 0.026 -12.619 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.918 -12.198 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.167 -10.845 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.903 -13.010 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.604 -13.707 -2.891 1.00 0.00 H new ATOM 268 N ASN A 20 2.115 -10.119 -0.521 1.00 0.00 N ATOM 269 CA ASN A 20 3.403 -9.545 -0.258 1.00 0.00 C ATOM 270 C ASN A 20 3.245 -8.259 0.534 1.00 0.00 C ATOM 271 O ASN A 20 2.244 -7.561 0.395 1.00 0.00 O ATOM 272 CB ASN A 20 4.054 -9.195 -1.589 1.00 0.00 C ATOM 273 CG ASN A 20 3.363 -8.042 -2.297 1.00 0.00 C ATOM 274 OD1 ASN A 20 3.670 -6.883 -2.032 1.00 0.00 O ATOM 275 ND2 ASN A 20 2.455 -8.354 -3.211 1.00 0.00 N ATOM 0 H ASN A 20 1.535 -9.521 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 20 4.007 -10.256 0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.100 -8.938 -1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.042 -10.072 -2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.978 -7.616 -3.729 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.233 -9.332 -3.397 1.00 0.00 H new ATOM 282 N THR A 21 4.278 -7.917 1.289 1.00 0.00 N ATOM 283 CA THR A 21 4.523 -6.587 1.791 1.00 0.00 C ATOM 284 C THR A 21 5.191 -5.708 0.718 1.00 0.00 C ATOM 285 O THR A 21 4.583 -4.737 0.288 1.00 0.00 O ATOM 286 CB THR A 21 5.354 -6.711 3.080 1.00 0.00 C ATOM 287 OG1 THR A 21 5.930 -8.009 3.172 1.00 0.00 O ATOM 288 CG2 THR A 21 4.451 -6.501 4.290 1.00 0.00 C ATOM 0 H THR A 21 4.991 -8.588 1.576 1.00 0.00 H new ATOM 0 HA THR A 21 3.586 -6.084 2.032 1.00 0.00 H new ATOM 0 HB THR A 21 6.143 -5.959 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.458 -8.075 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.040 -6.589 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.003 -5.509 4.242 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.664 -7.255 4.292 1.00 0.00 H new ATOM 296 N PRO A 22 6.436 -5.972 0.286 1.00 0.00 N ATOM 297 CA PRO A 22 7.257 -4.960 -0.368 1.00 0.00 C ATOM 298 C PRO A 22 6.756 -4.428 -1.714 1.00 0.00 C ATOM 299 O PRO A 22 6.977 -3.259 -2.023 1.00 0.00 O ATOM 300 CB PRO A 22 8.657 -5.574 -0.496 1.00 0.00 C ATOM 301 CG PRO A 22 8.443 -7.073 -0.312 1.00 0.00 C ATOM 302 CD PRO A 22 7.258 -7.115 0.643 1.00 0.00 C ATOM 0 HA PRO A 22 7.230 -4.062 0.249 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.098 -5.354 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.334 -5.175 0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.223 -7.572 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.322 -7.561 0.109 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.702 -8.047 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.587 -7.054 1.680 1.00 0.00 H new ATOM 310 N ILE A 23 6.135 -5.240 -2.563 1.00 0.00 N ATOM 311 CA ILE A 23 5.610 -4.713 -3.818 1.00 0.00 C ATOM 312 C ILE A 23 4.486 -3.729 -3.481 1.00 0.00 C ATOM 313 O ILE A 23 4.396 -2.632 -4.034 1.00 0.00 O ATOM 314 CB ILE A 23 5.181 -5.854 -4.745 1.00 0.00 C ATOM 315 CG1 ILE A 23 6.387 -6.661 -5.244 1.00 0.00 C ATOM 316 CG2 ILE A 23 4.392 -5.343 -5.955 1.00 0.00 C ATOM 317 CD1 ILE A 23 7.060 -7.543 -4.191 1.00 0.00 C ATOM 0 H ILE A 23 5.985 -6.238 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 23 6.375 -4.171 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 23 4.537 -6.500 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.064 -7.293 -6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.128 -5.968 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.108 -6.185 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.495 -4.827 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.011 -4.653 -6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.900 -8.072 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.420 -6.921 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.340 -8.266 -3.808 1.00 0.00 H new ATOM 329 N CYS A 24 3.649 -4.119 -2.524 1.00 0.00 N ATOM 330 CA CYS A 24 2.554 -3.300 -2.048 1.00 0.00 C ATOM 331 C CYS A 24 3.090 -2.025 -1.416 1.00 0.00 C ATOM 332 O CYS A 24 2.618 -0.941 -1.746 1.00 0.00 O ATOM 333 CB CYS A 24 1.684 -4.098 -1.086 1.00 0.00 C ATOM 334 SG CYS A 24 0.248 -3.197 -0.480 1.00 0.00 S ATOM 0 H CYS A 24 3.718 -5.023 -2.056 1.00 0.00 H new ATOM 0 HA CYS A 24 1.925 -3.006 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.346 -5.006 -1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.291 -4.409 -0.236 1.00 0.00 H new ATOM 339 N GLU A 25 4.103 -2.136 -0.553 1.00 0.00 N ATOM 340 CA GLU A 25 4.800 -0.999 0.019 1.00 0.00 C ATOM 341 C GLU A 25 5.217 -0.034 -1.087 1.00 0.00 C ATOM 342 O GLU A 25 4.965 1.166 -1.011 1.00 0.00 O ATOM 343 CB GLU A 25 6.070 -1.481 0.724 1.00 0.00 C ATOM 344 CG GLU A 25 5.923 -2.013 2.154 1.00 0.00 C ATOM 345 CD GLU A 25 7.144 -1.565 2.932 1.00 0.00 C ATOM 346 OE1 GLU A 25 8.250 -1.999 2.539 1.00 0.00 O ATOM 347 OE2 GLU A 25 7.016 -0.646 3.768 1.00 0.00 O ATOM 0 H GLU A 25 4.462 -3.035 -0.232 1.00 0.00 H new ATOM 0 HA GLU A 25 4.134 -0.501 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.515 -2.268 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.779 -0.654 0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.013 -1.630 2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.846 -3.100 2.153 1.00 0.00 H new ATOM 354 N LEU A 26 5.898 -0.566 -2.097 1.00 0.00 N ATOM 355 CA LEU A 26 6.440 0.233 -3.176 1.00 0.00 C ATOM 356 C LEU A 26 5.320 1.019 -3.850 1.00 0.00 C ATOM 357 O LEU A 26 5.415 2.233 -4.034 1.00 0.00 O ATOM 358 CB LEU A 26 7.207 -0.668 -4.137 1.00 0.00 C ATOM 359 CG LEU A 26 8.182 0.092 -5.042 1.00 0.00 C ATOM 360 CD1 LEU A 26 7.510 0.611 -6.317 1.00 0.00 C ATOM 361 CD2 LEU A 26 8.987 1.199 -4.350 1.00 0.00 C ATOM 0 H LEU A 26 6.087 -1.565 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 26 7.149 0.967 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.761 -1.410 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.496 -1.212 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 26 8.917 -0.662 -5.322 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.243 1.142 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.109 -0.229 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.699 1.289 -6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.647 1.676 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.304 1.942 -3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.583 0.767 -3.546 1.00 0.00 H new ATOM 373 N ALA A 27 4.233 0.329 -4.185 1.00 0.00 N ATOM 374 CA ALA A 27 3.066 0.967 -4.764 1.00 0.00 C ATOM 375 C ALA A 27 2.484 2.025 -3.818 1.00 0.00 C ATOM 376 O ALA A 27 2.155 3.125 -4.253 1.00 0.00 O ATOM 377 CB ALA A 27 2.038 -0.093 -5.149 1.00 0.00 C ATOM 0 H ALA A 27 4.141 -0.679 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 27 3.361 1.495 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.163 0.390 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.475 -0.776 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.741 -0.651 -4.261 1.00 0.00 H new ATOM 383 N VAL A 28 2.368 1.733 -2.522 1.00 0.00 N ATOM 384 CA VAL A 28 1.891 2.697 -1.540 1.00 0.00 C ATOM 385 C VAL A 28 2.757 3.958 -1.569 1.00 0.00 C ATOM 386 O VAL A 28 2.217 5.065 -1.655 1.00 0.00 O ATOM 387 CB VAL A 28 1.805 2.075 -0.142 1.00 0.00 C ATOM 388 CG1 VAL A 28 1.658 3.141 0.952 1.00 0.00 C ATOM 389 CG2 VAL A 28 0.621 1.112 -0.036 1.00 0.00 C ATOM 0 H VAL A 28 2.603 0.822 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 28 0.876 2.992 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 28 2.739 1.534 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.601 2.657 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.520 3.808 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.749 3.717 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.586 0.687 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.305 1.651 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.737 0.311 -0.766 1.00 0.00 H new ATOM 399 N LYS A 29 4.085 3.812 -1.522 1.00 0.00 N ATOM 400 CA LYS A 29 4.988 4.925 -1.673 1.00 0.00 C ATOM 401 C LYS A 29 4.716 5.680 -2.981 1.00 0.00 C ATOM 402 O LYS A 29 4.706 6.913 -3.003 1.00 0.00 O ATOM 403 CB LYS A 29 6.437 4.428 -1.610 1.00 0.00 C ATOM 404 CG LYS A 29 6.943 3.949 -0.235 1.00 0.00 C ATOM 405 CD LYS A 29 8.397 4.437 -0.075 1.00 0.00 C ATOM 406 CE LYS A 29 9.185 3.847 1.105 1.00 0.00 C ATOM 407 NZ LYS A 29 8.699 4.281 2.432 1.00 0.00 N ATOM 0 H LYS A 29 4.550 2.915 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 29 4.824 5.626 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.547 3.607 -2.318 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.088 5.233 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.316 4.347 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.895 2.862 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.937 4.212 -0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.385 5.522 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.139 2.759 1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.234 4.127 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.440 4.834 2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.849 4.869 2.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.466 3.446 3.006 1.00 0.00 H new ATOM 421 N GLY A 30 4.495 4.946 -4.070 1.00 0.00 N ATOM 422 CA GLY A 30 4.064 5.498 -5.346 1.00 0.00 C ATOM 423 C GLY A 30 2.777 6.316 -5.205 1.00 0.00 C ATOM 424 O GLY A 30 2.639 7.377 -5.813 1.00 0.00 O ATOM 0 H GLY A 30 4.614 3.933 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.853 6.129 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.904 4.688 -6.057 1.00 0.00 H new ATOM 428 N SER A 31 1.850 5.860 -4.365 1.00 0.00 N ATOM 429 CA SER A 31 0.459 6.277 -4.389 1.00 0.00 C ATOM 430 C SER A 31 0.331 7.583 -3.608 1.00 0.00 C ATOM 431 O SER A 31 -0.188 8.567 -4.145 1.00 0.00 O ATOM 432 CB SER A 31 -0.397 5.153 -3.771 1.00 0.00 C ATOM 433 OG SER A 31 -1.791 5.384 -3.900 1.00 0.00 O ATOM 0 H SER A 31 2.054 5.177 -3.636 1.00 0.00 H new ATOM 0 HA SER A 31 0.110 6.453 -5.406 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.145 4.207 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.147 5.052 -2.715 1.00 0.00 H new ATOM 0 HG SER A 31 -2.284 4.695 -3.407 1.00 0.00 H new ATOM 439 N CYS A 32 0.850 7.637 -2.381 1.00 0.00 N ATOM 440 CA CYS A 32 0.689 8.784 -1.479 1.00 0.00 C ATOM 441 C CYS A 32 2.037 9.115 -0.864 1.00 0.00 C ATOM 442 O CYS A 32 2.901 8.236 -0.828 1.00 0.00 O ATOM 443 CB CYS A 32 -0.293 8.432 -0.362 1.00 0.00 C ATOM 444 SG CYS A 32 -1.978 8.141 -0.930 1.00 0.00 S ATOM 0 H CYS A 32 1.401 6.879 -1.979 1.00 0.00 H new ATOM 0 HA CYS A 32 0.307 9.637 -2.040 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.064 7.541 0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.302 9.241 0.368 1.00 0.00 H new ATOM 449 N PRO A 33 2.260 10.355 -0.408 1.00 0.00 N ATOM 450 CA PRO A 33 3.517 10.739 0.205 1.00 0.00 C ATOM 451 C PRO A 33 3.603 10.219 1.646 1.00 0.00 C ATOM 452 O PRO A 33 2.576 9.986 2.284 1.00 0.00 O ATOM 453 CB PRO A 33 3.522 12.267 0.173 1.00 0.00 C ATOM 454 CG PRO A 33 2.036 12.622 0.260 1.00 0.00 C ATOM 455 CD PRO A 33 1.365 11.495 -0.523 1.00 0.00 C ATOM 0 HA PRO A 33 4.374 10.319 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.086 12.686 1.007 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.975 12.649 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.690 12.657 1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.828 13.598 -0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.381 11.264 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.218 11.775 -1.566 1.00 0.00 H new ATOM 463 N PRO A 34 4.820 10.069 2.184 1.00 0.00 N ATOM 464 CA PRO A 34 5.041 9.782 3.593 1.00 0.00 C ATOM 465 C PRO A 34 4.728 11.019 4.450 1.00 0.00 C ATOM 466 O PRO A 34 5.090 12.132 4.055 1.00 0.00 O ATOM 467 CB PRO A 34 6.535 9.458 3.707 1.00 0.00 C ATOM 468 CG PRO A 34 7.152 10.201 2.525 1.00 0.00 C ATOM 469 CD PRO A 34 6.070 10.192 1.459 1.00 0.00 C ATOM 0 HA PRO A 34 4.404 8.968 3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.949 9.800 4.656 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.719 8.385 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.431 11.219 2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.058 9.706 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.093 11.107 0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.207 9.361 0.767 1.00 0.00 H new ATOM 477 N PRO A 35 4.188 10.864 5.669 1.00 0.00 N ATOM 478 CA PRO A 35 3.853 9.595 6.297 1.00 0.00 C ATOM 479 C PRO A 35 2.505 9.064 5.810 1.00 0.00 C ATOM 480 O PRO A 35 1.587 9.836 5.527 1.00 0.00 O ATOM 481 CB PRO A 35 3.818 9.883 7.798 1.00 0.00 C ATOM 482 CG PRO A 35 3.454 11.363 7.881 1.00 0.00 C ATOM 483 CD PRO A 35 4.089 11.956 6.625 1.00 0.00 C ATOM 0 HA PRO A 35 4.582 8.824 6.047 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.081 9.261 8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.782 9.682 8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.374 11.511 7.893 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.849 11.824 8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.481 12.768 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.072 12.372 6.845 1.00 0.00 H new ATOM 491 N TRP A 36 2.360 7.745 5.745 1.00 0.00 N ATOM 492 CA TRP A 36 1.135 7.085 5.325 1.00 0.00 C ATOM 493 C TRP A 36 0.176 6.959 6.505 1.00 0.00 C ATOM 494 O TRP A 36 -0.250 5.858 6.841 1.00 0.00 O ATOM 495 CB TRP A 36 1.493 5.744 4.680 1.00 0.00 C ATOM 496 CG TRP A 36 2.268 5.926 3.415 1.00 0.00 C ATOM 497 CD1 TRP A 36 1.726 6.220 2.215 1.00 0.00 C ATOM 498 CD2 TRP A 36 3.710 6.010 3.231 1.00 0.00 C ATOM 499 NE1 TRP A 36 2.726 6.510 1.313 1.00 0.00 N ATOM 500 CE2 TRP A 36 3.968 6.433 1.896 1.00 0.00 C ATOM 501 CE3 TRP A 36 4.828 5.827 4.067 1.00 0.00 C ATOM 502 CZ2 TRP A 36 5.261 6.695 1.434 1.00 0.00 C ATOM 503 CZ3 TRP A 36 6.136 5.959 3.574 1.00 0.00 C ATOM 504 CH2 TRP A 36 6.353 6.402 2.256 1.00 0.00 C ATOM 0 H TRP A 36 3.107 7.094 5.988 1.00 0.00 H new ATOM 0 HA TRP A 36 0.610 7.676 4.574 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.077 5.148 5.381 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.580 5.186 4.470 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.669 6.227 1.995 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.565 6.752 0.335 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.677 5.580 5.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.415 7.119 0.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.977 5.720 4.208 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.359 6.515 1.881 1.00 0.00 H new ATOM 515 N SER A 37 -0.181 8.097 7.096 1.00 0.00 N ATOM 516 CA SER A 37 -1.122 8.205 8.194 1.00 0.00 C ATOM 517 C SER A 37 -0.550 7.566 9.461 1.00 0.00 C ATOM 518 O SER A 37 0.385 8.177 10.026 1.00 0.00 O ATOM 519 CB SER A 37 -2.500 7.664 7.791 1.00 0.00 C ATOM 520 OG SER A 37 -2.920 8.282 6.583 1.00 0.00 O ATOM 521 OXT SER A 37 -0.774 6.356 9.673 1.00 0.00 O ATOM 0 H SER A 37 0.195 9.000 6.808 1.00 0.00 H new ATOM 0 HA SER A 37 -1.277 9.257 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.454 6.583 7.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.224 7.859 8.582 1.00 0.00 H new ATOM 0 HG SER A 37 -3.799 7.934 6.326 1.00 0.00 H new TER 527 SER A 37