USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 431 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 29 SER OG : rot 180:sc= 0.306 USER MOD Set 1.2: A 48 GLN : amide:sc= -2.5! C(o=-2.2!,f=-8.8!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -118:sc= 2.2 (180deg=0.343) USER MOD Set 2.2: A 41 ASN : amide:sc= -4.21! C(o=-2!,f=-8.8!) USER MOD Single : A 1 GLU N :NH3+ -135:sc= -3.97! (180deg=-7.59!) USER MOD Single : A 2 THR OG1 : rot 111:sc= 0.282 USER MOD Single : A 6 LYS NZ :NH3+ -112:sc= -4.2! (180deg=-9.54!) USER MOD Single : A 13 THR OG1 : rot -123:sc= 1.41 USER MOD Single : A 20 LYS NZ :NH3+ -125:sc= 1.18 (180deg=-0.729) USER MOD Single : A 22 TYR OH : rot 119:sc= 0.845 USER MOD Single : A 23 TYR OH : rot 167:sc= -0.617 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.103 F(o=-0.85!,f=-0.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -124:sc= -2.29! (180deg=-6.56!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.69 K(o=1.7,f=-7.5!) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= -3.19! (180deg=-3.65!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= 0.436 (180deg=-2.93!) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -1.83! (180deg=-2.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -9.530 -12.815 -0.476 1.00 0.00 N ATOM 2 CA GLU A 1 -8.801 -13.877 0.294 1.00 0.00 C ATOM 3 C GLU A 1 -7.350 -13.788 -0.229 1.00 0.00 C ATOM 4 O GLU A 1 -7.248 -13.394 -1.371 1.00 0.00 O ATOM 5 CB GLU A 1 -9.568 -15.251 -0.019 1.00 0.00 C ATOM 6 CG GLU A 1 -11.068 -15.191 0.592 1.00 0.00 C ATOM 7 CD GLU A 1 -11.617 -13.795 0.463 1.00 0.00 C ATOM 8 OE1 GLU A 1 -12.123 -13.514 -0.595 1.00 0.00 O ATOM 9 OE2 GLU A 1 -11.431 -13.070 1.413 1.00 0.00 O ATOM 0 H1 GLU A 1 -10.136 -12.271 0.171 1.00 0.00 H new ATOM 0 H2 GLU A 1 -8.842 -12.177 -0.925 1.00 0.00 H new ATOM 0 H3 GLU A 1 -10.119 -13.260 -1.209 1.00 0.00 H new ATOM 0 HA GLU A 1 -8.775 -13.782 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -9.610 -15.418 -1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -9.022 -16.090 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -11.713 -15.895 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -11.056 -15.491 1.640 1.00 0.00 H new ATOM 18 N THR A 2 -6.318 -14.096 0.538 1.00 0.00 N ATOM 19 CA THR A 2 -4.893 -14.001 -0.016 1.00 0.00 C ATOM 20 C THR A 2 -4.625 -12.739 -0.870 1.00 0.00 C ATOM 21 O THR A 2 -5.275 -11.721 -0.732 1.00 0.00 O ATOM 22 CB THR A 2 -4.554 -15.311 -0.883 1.00 0.00 C ATOM 23 OG1 THR A 2 -5.462 -15.340 -1.957 1.00 0.00 O ATOM 24 CG2 THR A 2 -4.941 -16.627 -0.243 1.00 0.00 C ATOM 0 H THR A 2 -6.386 -14.405 1.508 1.00 0.00 H new ATOM 0 HA THR A 2 -4.241 -13.928 0.855 1.00 0.00 H new ATOM 0 HB THR A 2 -3.483 -15.239 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.983 -15.168 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.670 -17.448 -0.907 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.415 -16.739 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.016 -16.643 -0.066 1.00 0.00 H new ATOM 32 N ASP A 3 -3.635 -12.873 -1.681 1.00 0.00 N ATOM 33 CA ASP A 3 -3.111 -11.876 -2.645 1.00 0.00 C ATOM 34 C ASP A 3 -3.592 -10.401 -2.610 1.00 0.00 C ATOM 35 O ASP A 3 -4.128 -9.889 -3.566 1.00 0.00 O ATOM 36 CB ASP A 3 -3.370 -12.532 -4.011 1.00 0.00 C ATOM 37 CG ASP A 3 -2.643 -13.831 -4.144 1.00 0.00 C ATOM 38 OD1 ASP A 3 -3.217 -14.785 -3.685 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.572 -13.740 -4.707 1.00 0.00 O ATOM 0 H ASP A 3 -3.103 -13.743 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.071 -11.690 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.440 -12.698 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.056 -11.855 -4.806 1.00 0.00 H new ATOM 44 N ILE A 4 -3.391 -9.745 -1.512 1.00 0.00 N ATOM 45 CA ILE A 4 -3.785 -8.289 -1.328 1.00 0.00 C ATOM 46 C ILE A 4 -3.601 -7.446 -2.631 1.00 0.00 C ATOM 47 O ILE A 4 -4.305 -6.515 -2.966 1.00 0.00 O ATOM 48 CB ILE A 4 -2.928 -7.755 -0.153 1.00 0.00 C ATOM 49 CG1 ILE A 4 -1.399 -7.937 -0.406 1.00 0.00 C ATOM 50 CG2 ILE A 4 -3.300 -8.497 1.150 1.00 0.00 C ATOM 51 CD1 ILE A 4 -0.800 -6.665 -1.043 1.00 0.00 C ATOM 0 H ILE A 4 -2.953 -10.158 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.848 -8.204 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 4 -3.138 -6.689 -0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.892 -8.153 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.232 -8.792 -1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.693 -8.116 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.355 -8.335 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.115 -9.564 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.267 -6.811 -1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.294 -6.467 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.949 -5.818 -0.373 1.00 0.00 H new ATOM 63 N CYS A 5 -2.597 -7.865 -3.333 1.00 0.00 N ATOM 64 CA CYS A 5 -2.120 -7.307 -4.642 1.00 0.00 C ATOM 65 C CYS A 5 -3.186 -7.301 -5.779 1.00 0.00 C ATOM 66 O CYS A 5 -3.065 -6.646 -6.794 1.00 0.00 O ATOM 67 CB CYS A 5 -0.933 -8.168 -4.962 1.00 0.00 C ATOM 68 SG CYS A 5 0.268 -8.368 -3.630 1.00 0.00 S ATOM 0 H CYS A 5 -2.027 -8.652 -3.024 1.00 0.00 H new ATOM 0 HA CYS A 5 -1.882 -6.246 -4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.291 -9.155 -5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.422 -7.744 -5.827 1.00 0.00 H new ATOM 73 N LYS A 6 -4.212 -8.063 -5.560 1.00 0.00 N ATOM 74 CA LYS A 6 -5.358 -8.220 -6.517 1.00 0.00 C ATOM 75 C LYS A 6 -6.519 -7.270 -6.118 1.00 0.00 C ATOM 76 O LYS A 6 -7.543 -7.216 -6.771 1.00 0.00 O ATOM 77 CB LYS A 6 -5.804 -9.717 -6.462 1.00 0.00 C ATOM 78 CG LYS A 6 -4.597 -10.706 -6.451 1.00 0.00 C ATOM 79 CD LYS A 6 -3.949 -10.899 -7.860 1.00 0.00 C ATOM 80 CE LYS A 6 -2.527 -11.540 -7.794 1.00 0.00 C ATOM 81 NZ LYS A 6 -2.551 -12.693 -6.840 1.00 0.00 N ATOM 0 H LYS A 6 -4.316 -8.618 -4.711 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.063 -7.956 -7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.409 -9.879 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.439 -9.934 -7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.841 -10.339 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.931 -11.673 -6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.598 -11.529 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.883 -9.932 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.221 -11.878 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.796 -10.799 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.980 -12.462 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.531 -12.883 -6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.158 -13.536 -7.305 1.00 0.00 H new ATOM 95 N LEU A 7 -6.326 -6.542 -5.052 1.00 0.00 N ATOM 96 CA LEU A 7 -7.351 -5.591 -4.565 1.00 0.00 C ATOM 97 C LEU A 7 -7.150 -4.250 -5.339 1.00 0.00 C ATOM 98 O LEU A 7 -6.070 -3.687 -5.272 1.00 0.00 O ATOM 99 CB LEU A 7 -7.150 -5.398 -3.028 1.00 0.00 C ATOM 100 CG LEU A 7 -7.227 -6.724 -2.234 1.00 0.00 C ATOM 101 CD1 LEU A 7 -7.014 -6.387 -0.758 1.00 0.00 C ATOM 102 CD2 LEU A 7 -8.620 -7.337 -2.368 1.00 0.00 C ATOM 0 H LEU A 7 -5.477 -6.572 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.365 -5.954 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.181 -4.931 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.909 -4.712 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.480 -7.423 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.062 -7.301 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.037 -5.921 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.791 -5.698 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.663 -8.270 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.363 -6.642 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.830 -7.537 -3.419 1.00 0.00 H new ATOM 114 N PRO A 8 -8.161 -3.780 -6.043 1.00 0.00 N ATOM 115 CA PRO A 8 -8.012 -2.657 -7.030 1.00 0.00 C ATOM 116 C PRO A 8 -7.366 -1.356 -6.471 1.00 0.00 C ATOM 117 O PRO A 8 -7.384 -1.077 -5.288 1.00 0.00 O ATOM 118 CB PRO A 8 -9.458 -2.481 -7.556 1.00 0.00 C ATOM 119 CG PRO A 8 -10.313 -2.990 -6.364 1.00 0.00 C ATOM 120 CD PRO A 8 -9.568 -4.262 -5.952 1.00 0.00 C ATOM 0 HA PRO A 8 -7.294 -2.892 -7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.678 -1.441 -7.798 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.635 -3.063 -8.460 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.356 -2.262 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.341 -3.198 -6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.831 -4.592 -4.947 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.767 -5.097 -6.624 1.00 0.00 H new ATOM 128 N LYS A 9 -6.819 -0.559 -7.342 1.00 0.00 N ATOM 129 CA LYS A 9 -6.161 0.713 -6.885 1.00 0.00 C ATOM 130 C LYS A 9 -6.978 2.027 -6.916 1.00 0.00 C ATOM 131 O LYS A 9 -7.133 2.620 -7.964 1.00 0.00 O ATOM 132 CB LYS A 9 -4.878 0.891 -7.730 1.00 0.00 C ATOM 133 CG LYS A 9 -4.019 2.111 -7.258 1.00 0.00 C ATOM 134 CD LYS A 9 -3.407 1.819 -5.853 1.00 0.00 C ATOM 135 CE LYS A 9 -4.195 2.498 -4.753 1.00 0.00 C ATOM 136 NZ LYS A 9 -3.630 1.987 -3.466 1.00 0.00 N ATOM 0 H LYS A 9 -6.794 -0.724 -8.348 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.994 0.568 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.278 -0.017 -7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.151 1.025 -8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.224 2.306 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.638 3.007 -7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.390 0.743 -5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.373 2.163 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.101 3.582 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.257 2.265 -4.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.369 1.478 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.840 1.341 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.288 2.786 -2.895 1.00 0.00 H new ATOM 150 N ASP A 10 -7.472 2.414 -5.771 1.00 0.00 N ATOM 151 CA ASP A 10 -8.259 3.674 -5.669 1.00 0.00 C ATOM 152 C ASP A 10 -7.574 4.702 -4.687 1.00 0.00 C ATOM 153 O ASP A 10 -6.833 4.318 -3.787 1.00 0.00 O ATOM 154 CB ASP A 10 -9.694 3.318 -5.170 1.00 0.00 C ATOM 155 CG ASP A 10 -10.369 4.616 -4.759 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.580 5.422 -5.640 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.620 4.740 -3.578 1.00 0.00 O ATOM 0 H ASP A 10 -7.362 1.905 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.307 4.148 -6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.262 2.823 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.647 2.627 -4.328 1.00 0.00 H new ATOM 162 N GLU A 11 -7.883 5.949 -4.923 1.00 0.00 N ATOM 163 CA GLU A 11 -7.356 7.107 -4.109 1.00 0.00 C ATOM 164 C GLU A 11 -8.401 7.927 -3.249 1.00 0.00 C ATOM 165 O GLU A 11 -8.055 8.974 -2.725 1.00 0.00 O ATOM 166 CB GLU A 11 -6.652 8.067 -5.090 1.00 0.00 C ATOM 167 CG GLU A 11 -5.131 7.742 -5.302 1.00 0.00 C ATOM 168 CD GLU A 11 -4.740 6.571 -6.184 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.986 5.441 -5.812 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.170 6.896 -7.206 1.00 0.00 O ATOM 0 H GLU A 11 -8.506 6.233 -5.679 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.700 6.663 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.161 8.028 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.749 9.088 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.659 8.634 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.691 7.573 -4.319 1.00 0.00 H new ATOM 177 N GLY A 12 -9.629 7.491 -3.088 1.00 0.00 N ATOM 178 CA GLY A 12 -10.691 8.237 -2.278 1.00 0.00 C ATOM 179 C GLY A 12 -11.033 9.686 -2.713 1.00 0.00 C ATOM 180 O GLY A 12 -12.112 9.966 -3.186 1.00 0.00 O ATOM 0 H GLY A 12 -9.966 6.618 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -11.610 7.651 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.363 8.266 -1.239 1.00 0.00 H new ATOM 184 N THR A 13 -10.081 10.560 -2.533 1.00 0.00 N ATOM 185 CA THR A 13 -10.082 12.061 -2.848 1.00 0.00 C ATOM 186 C THR A 13 -9.519 12.843 -1.641 1.00 0.00 C ATOM 187 O THR A 13 -9.980 13.881 -1.201 1.00 0.00 O ATOM 188 CB THR A 13 -11.543 12.601 -3.177 1.00 0.00 C ATOM 189 OG1 THR A 13 -11.425 14.007 -3.423 1.00 0.00 O ATOM 190 CG2 THR A 13 -12.499 12.611 -1.976 1.00 0.00 C ATOM 0 H THR A 13 -9.188 10.272 -2.132 1.00 0.00 H new ATOM 0 HA THR A 13 -9.458 12.211 -3.729 1.00 0.00 H new ATOM 0 HB THR A 13 -11.914 11.964 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.012 14.497 -2.810 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.471 12.993 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.613 11.597 -1.593 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.092 13.251 -1.193 1.00 0.00 H new ATOM 198 N CYS A 14 -8.457 12.308 -1.128 1.00 0.00 N ATOM 199 CA CYS A 14 -7.750 12.902 0.054 1.00 0.00 C ATOM 200 C CYS A 14 -6.731 13.964 -0.437 1.00 0.00 C ATOM 201 O CYS A 14 -5.533 13.794 -0.424 1.00 0.00 O ATOM 202 CB CYS A 14 -7.177 11.666 0.732 1.00 0.00 C ATOM 203 SG CYS A 14 -8.391 10.327 0.747 1.00 0.00 S ATOM 0 H CYS A 14 -8.027 11.454 -1.484 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.355 13.466 0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.277 11.342 0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.883 11.908 1.753 1.00 0.00 H new ATOM 208 N ARG A 15 -7.390 15.014 -0.858 1.00 0.00 N ATOM 209 CA ARG A 15 -6.874 16.317 -1.439 1.00 0.00 C ATOM 210 C ARG A 15 -5.371 16.629 -1.385 1.00 0.00 C ATOM 211 O ARG A 15 -4.820 17.230 -2.290 1.00 0.00 O ATOM 212 CB ARG A 15 -7.651 17.479 -0.736 1.00 0.00 C ATOM 213 CG ARG A 15 -7.733 18.745 -1.660 1.00 0.00 C ATOM 214 CD ARG A 15 -8.907 18.684 -2.675 1.00 0.00 C ATOM 215 NE ARG A 15 -8.669 17.511 -3.600 1.00 0.00 N ATOM 216 CZ ARG A 15 -9.457 16.521 -3.634 1.00 0.00 C ATOM 217 NH1 ARG A 15 -9.608 15.895 -2.582 1.00 0.00 N ATOM 218 NH2 ARG A 15 -10.067 16.160 -4.660 1.00 0.00 N ATOM 0 H ARG A 15 -8.409 15.021 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.049 16.210 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.657 17.146 -0.481 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.155 17.739 0.199 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.843 19.634 -1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.795 18.851 -2.205 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.857 18.570 -2.152 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.966 19.612 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.853 17.518 -4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.109 16.184 -1.741 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.232 15.088 -2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.943 16.672 -5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.690 15.353 -4.626 1.00 0.00 H new ATOM 232 N ASP A 16 -4.802 16.172 -0.330 1.00 0.00 N ATOM 233 CA ASP A 16 -3.361 16.339 -0.008 1.00 0.00 C ATOM 234 C ASP A 16 -2.601 15.076 -0.547 1.00 0.00 C ATOM 235 O ASP A 16 -1.779 14.417 0.068 1.00 0.00 O ATOM 236 CB ASP A 16 -3.409 16.530 1.548 1.00 0.00 C ATOM 237 CG ASP A 16 -4.706 17.219 1.965 1.00 0.00 C ATOM 238 OD1 ASP A 16 -4.740 18.428 1.877 1.00 0.00 O ATOM 239 OD2 ASP A 16 -5.593 16.463 2.329 1.00 0.00 O ATOM 0 H ASP A 16 -5.311 15.648 0.382 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.821 17.171 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.331 15.561 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.555 17.123 1.874 1.00 0.00 H new ATOM 244 N PHE A 17 -2.962 14.803 -1.772 1.00 0.00 N ATOM 245 CA PHE A 17 -2.419 13.658 -2.572 1.00 0.00 C ATOM 246 C PHE A 17 -0.887 13.431 -2.459 1.00 0.00 C ATOM 247 O PHE A 17 -0.082 14.280 -2.787 1.00 0.00 O ATOM 248 CB PHE A 17 -2.805 13.894 -4.052 1.00 0.00 C ATOM 249 CG PHE A 17 -4.324 14.063 -4.230 1.00 0.00 C ATOM 250 CD1 PHE A 17 -5.199 13.100 -3.783 1.00 0.00 C ATOM 251 CD2 PHE A 17 -4.836 15.178 -4.856 1.00 0.00 C ATOM 252 CE1 PHE A 17 -6.557 13.240 -3.957 1.00 0.00 C ATOM 253 CE2 PHE A 17 -6.197 15.329 -5.036 1.00 0.00 C ATOM 254 CZ PHE A 17 -7.063 14.355 -4.586 1.00 0.00 C ATOM 0 H PHE A 17 -3.650 15.358 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.861 12.751 -2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.295 14.783 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.460 13.054 -4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.814 12.221 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.164 15.945 -5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.228 12.473 -3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.583 16.209 -5.529 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.128 14.466 -4.726 1.00 0.00 H new ATOM 264 N ILE A 18 -0.509 12.273 -2.002 1.00 0.00 N ATOM 265 CA ILE A 18 0.960 11.949 -1.856 1.00 0.00 C ATOM 266 C ILE A 18 1.221 10.724 -2.763 1.00 0.00 C ATOM 267 O ILE A 18 0.293 10.011 -3.098 1.00 0.00 O ATOM 268 CB ILE A 18 1.271 11.642 -0.328 1.00 0.00 C ATOM 269 CG1 ILE A 18 2.763 11.921 -0.024 1.00 0.00 C ATOM 270 CG2 ILE A 18 1.007 10.145 -0.049 1.00 0.00 C ATOM 271 CD1 ILE A 18 3.021 11.706 1.486 1.00 0.00 C ATOM 0 H ILE A 18 -1.145 11.527 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 18 1.609 12.773 -2.153 1.00 0.00 H new ATOM 0 HB ILE A 18 0.636 12.274 0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.397 11.257 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.020 12.942 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.218 9.927 0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.036 9.913 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.652 9.537 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.070 11.901 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.396 12.388 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.779 10.678 1.754 1.00 0.00 H new ATOM 283 N LEU A 19 2.448 10.480 -3.122 1.00 0.00 N ATOM 284 CA LEU A 19 2.753 9.305 -4.011 1.00 0.00 C ATOM 285 C LEU A 19 3.188 7.984 -3.320 1.00 0.00 C ATOM 286 O LEU A 19 3.972 7.979 -2.384 1.00 0.00 O ATOM 287 CB LEU A 19 3.891 9.710 -5.007 1.00 0.00 C ATOM 288 CG LEU A 19 3.414 10.554 -6.239 1.00 0.00 C ATOM 289 CD1 LEU A 19 4.596 10.912 -7.135 1.00 0.00 C ATOM 290 CD2 LEU A 19 2.345 9.821 -7.076 1.00 0.00 C ATOM 0 H LEU A 19 3.257 11.036 -2.844 1.00 0.00 H new ATOM 0 HA LEU A 19 1.798 9.081 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.645 10.280 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.376 8.804 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 19 2.964 11.462 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.244 11.498 -7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.320 11.496 -6.566 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.069 9.999 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.048 10.448 -7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.756 8.883 -7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.475 9.613 -6.453 1.00 0.00 H new ATOM 302 N LYS A 20 2.638 6.903 -3.790 1.00 0.00 N ATOM 303 CA LYS A 20 2.963 5.529 -3.256 1.00 0.00 C ATOM 304 C LYS A 20 2.925 4.459 -4.400 1.00 0.00 C ATOM 305 O LYS A 20 2.514 4.784 -5.497 1.00 0.00 O ATOM 306 CB LYS A 20 1.945 5.195 -2.129 1.00 0.00 C ATOM 307 CG LYS A 20 2.227 5.998 -0.836 1.00 0.00 C ATOM 308 CD LYS A 20 3.597 5.554 -0.213 1.00 0.00 C ATOM 309 CE LYS A 20 3.978 6.440 0.965 1.00 0.00 C ATOM 310 NZ LYS A 20 4.314 7.783 0.392 1.00 0.00 N ATOM 0 H LYS A 20 1.953 6.903 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 20 3.974 5.515 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.935 5.411 -2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.985 4.128 -1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.249 7.065 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.423 5.839 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.531 4.517 0.115 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.377 5.599 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.155 6.516 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.829 6.024 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.268 8.062 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.283 7.735 -0.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.624 8.486 0.727 1.00 0.00 H new ATOM 324 N TRP A 21 3.320 3.235 -4.146 1.00 0.00 N ATOM 325 CA TRP A 21 3.302 2.170 -5.220 1.00 0.00 C ATOM 326 C TRP A 21 2.298 1.039 -4.930 1.00 0.00 C ATOM 327 O TRP A 21 1.962 0.798 -3.790 1.00 0.00 O ATOM 328 CB TRP A 21 4.716 1.516 -5.360 1.00 0.00 C ATOM 329 CG TRP A 21 5.764 2.514 -5.848 1.00 0.00 C ATOM 330 CD1 TRP A 21 6.399 3.418 -5.059 1.00 0.00 C ATOM 331 CD2 TRP A 21 6.189 2.646 -7.121 1.00 0.00 C ATOM 332 NE1 TRP A 21 7.180 4.058 -5.916 1.00 0.00 N ATOM 333 CE2 TRP A 21 7.126 3.667 -7.178 1.00 0.00 C ATOM 334 CE3 TRP A 21 5.849 1.949 -8.284 1.00 0.00 C ATOM 335 CZ2 TRP A 21 7.729 4.000 -8.382 1.00 0.00 C ATOM 336 CZ3 TRP A 21 6.452 2.277 -9.498 1.00 0.00 C ATOM 337 CH2 TRP A 21 7.394 3.305 -9.551 1.00 0.00 C ATOM 0 H TRP A 21 3.658 2.918 -3.237 1.00 0.00 H new ATOM 0 HA TRP A 21 3.003 2.678 -6.137 1.00 0.00 H new ATOM 0 HB2 TRP A 21 5.024 1.109 -4.397 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.661 0.679 -6.056 1.00 0.00 H new ATOM 0 HD1 TRP A 21 6.293 3.576 -3.996 1.00 0.00 H new ATOM 0 HE1 TRP A 21 7.794 4.816 -5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 21 5.118 1.155 -8.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.458 4.796 -8.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.190 1.736 -10.396 1.00 0.00 H new ATOM 0 HH2 TRP A 21 7.863 3.564 -10.489 1.00 0.00 H new ATOM 348 N TYR A 22 1.833 0.384 -5.948 1.00 0.00 N ATOM 349 CA TYR A 22 0.864 -0.742 -5.764 1.00 0.00 C ATOM 350 C TYR A 22 1.051 -1.756 -6.896 1.00 0.00 C ATOM 351 O TYR A 22 1.605 -1.415 -7.922 1.00 0.00 O ATOM 352 CB TYR A 22 -0.570 -0.175 -5.771 1.00 0.00 C ATOM 353 CG TYR A 22 -1.189 -0.164 -7.180 1.00 0.00 C ATOM 354 CD1 TYR A 22 -1.013 0.870 -8.075 1.00 0.00 C ATOM 355 CD2 TYR A 22 -1.969 -1.238 -7.552 1.00 0.00 C ATOM 356 CE1 TYR A 22 -1.628 0.805 -9.320 1.00 0.00 C ATOM 357 CE2 TYR A 22 -2.575 -1.291 -8.793 1.00 0.00 C ATOM 358 CZ TYR A 22 -2.407 -0.262 -9.676 1.00 0.00 C ATOM 359 OH TYR A 22 -3.035 -0.258 -10.896 1.00 0.00 O ATOM 0 H TYR A 22 2.082 0.578 -6.918 1.00 0.00 H new ATOM 0 HA TYR A 22 1.040 -1.244 -4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.196 -0.770 -5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.558 0.840 -5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.404 1.722 -7.811 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.109 -2.055 -6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.488 1.614 -10.021 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.180 -2.144 -9.064 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.716 -1.015 -11.431 1.00 0.00 H new ATOM 369 N TYR A 23 0.569 -2.936 -6.679 1.00 0.00 N ATOM 370 CA TYR A 23 0.673 -4.013 -7.692 1.00 0.00 C ATOM 371 C TYR A 23 -0.527 -3.992 -8.668 1.00 0.00 C ATOM 372 O TYR A 23 -1.682 -4.052 -8.275 1.00 0.00 O ATOM 373 CB TYR A 23 0.746 -5.301 -6.920 1.00 0.00 C ATOM 374 CG TYR A 23 0.935 -6.434 -7.930 1.00 0.00 C ATOM 375 CD1 TYR A 23 -0.162 -7.026 -8.516 1.00 0.00 C ATOM 376 CD2 TYR A 23 2.195 -6.863 -8.270 1.00 0.00 C ATOM 377 CE1 TYR A 23 0.004 -8.046 -9.433 1.00 0.00 C ATOM 378 CE2 TYR A 23 2.353 -7.882 -9.185 1.00 0.00 C ATOM 379 CZ TYR A 23 1.262 -8.470 -9.766 1.00 0.00 C ATOM 380 OH TYR A 23 1.433 -9.488 -10.671 1.00 0.00 O ATOM 0 H TYR A 23 0.094 -3.209 -5.819 1.00 0.00 H new ATOM 0 HA TYR A 23 1.556 -3.884 -8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.574 -5.277 -6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.165 -5.452 -6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.156 -6.692 -8.258 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.062 -6.402 -7.820 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -0.859 -8.509 -9.887 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.345 -8.219 -9.445 1.00 0.00 H new ATOM 0 HH TYR A 23 2.370 -9.519 -10.955 1.00 0.00 H new ATOM 390 N ASP A 24 -0.159 -3.921 -9.906 1.00 0.00 N ATOM 391 CA ASP A 24 -1.074 -3.880 -11.060 1.00 0.00 C ATOM 392 C ASP A 24 -1.132 -5.233 -11.867 1.00 0.00 C ATOM 393 O ASP A 24 -0.233 -5.523 -12.633 1.00 0.00 O ATOM 394 CB ASP A 24 -0.560 -2.736 -11.889 1.00 0.00 C ATOM 395 CG ASP A 24 -1.444 -2.669 -13.090 1.00 0.00 C ATOM 396 OD1 ASP A 24 -2.526 -2.164 -12.919 1.00 0.00 O ATOM 397 OD2 ASP A 24 -0.963 -3.162 -14.084 1.00 0.00 O ATOM 0 H ASP A 24 0.823 -3.887 -10.180 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.109 -3.740 -10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.592 -1.802 -11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.478 -2.899 -12.177 1.00 0.00 H new ATOM 402 N PRO A 25 -2.148 -6.043 -11.700 1.00 0.00 N ATOM 403 CA PRO A 25 -2.462 -7.131 -12.688 1.00 0.00 C ATOM 404 C PRO A 25 -2.354 -6.835 -14.226 1.00 0.00 C ATOM 405 O PRO A 25 -2.316 -7.781 -14.989 1.00 0.00 O ATOM 406 CB PRO A 25 -3.881 -7.581 -12.225 1.00 0.00 C ATOM 407 CG PRO A 25 -4.378 -6.392 -11.341 1.00 0.00 C ATOM 408 CD PRO A 25 -3.119 -5.999 -10.574 1.00 0.00 C ATOM 0 HA PRO A 25 -1.686 -7.896 -12.657 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.543 -7.753 -13.074 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.841 -8.511 -11.659 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.758 -5.569 -11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.183 -6.694 -10.671 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.193 -5.012 -10.118 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.874 -6.701 -9.777 1.00 0.00 H new ATOM 416 N ASN A 26 -2.297 -5.607 -14.688 1.00 0.00 N ATOM 417 CA ASN A 26 -2.198 -5.380 -16.185 1.00 0.00 C ATOM 418 C ASN A 26 -0.726 -5.564 -16.631 1.00 0.00 C ATOM 419 O ASN A 26 -0.440 -6.172 -17.644 1.00 0.00 O ATOM 420 CB ASN A 26 -2.735 -3.942 -16.487 1.00 0.00 C ATOM 421 CG ASN A 26 -2.883 -3.697 -17.978 1.00 0.00 C ATOM 422 OD1 ASN A 26 -2.422 -4.514 -18.856 1.00 0.00 O flip ATOM 423 ND2 ASN A 26 -3.438 -2.723 -18.420 1.00 0.00 N flip ATOM 0 H ASN A 26 -2.314 -4.763 -14.116 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.797 -6.099 -16.744 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.700 -3.804 -15.999 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.055 -3.203 -16.063 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.831 -2.028 -17.785 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.515 -2.594 -19.429 1.00 0.00 H new ATOM 430 N THR A 27 0.177 -5.031 -15.869 1.00 0.00 N ATOM 431 CA THR A 27 1.655 -5.150 -16.176 1.00 0.00 C ATOM 432 C THR A 27 2.152 -6.369 -15.377 1.00 0.00 C ATOM 433 O THR A 27 3.088 -7.067 -15.739 1.00 0.00 O ATOM 434 CB THR A 27 2.407 -3.878 -15.717 1.00 0.00 C ATOM 435 OG1 THR A 27 3.773 -4.164 -15.970 1.00 0.00 O ATOM 436 CG2 THR A 27 2.495 -3.707 -14.225 1.00 0.00 C ATOM 0 H THR A 27 -0.034 -4.502 -15.023 1.00 0.00 H new ATOM 0 HA THR A 27 1.831 -5.265 -17.246 1.00 0.00 H new ATOM 0 HB THR A 27 1.910 -3.034 -16.196 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.322 -3.397 -15.704 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.038 -2.790 -13.995 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.491 -3.649 -13.806 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.020 -4.558 -13.792 1.00 0.00 H new ATOM 444 N LYS A 28 1.468 -6.584 -14.288 1.00 0.00 N ATOM 445 CA LYS A 28 1.657 -7.670 -13.285 1.00 0.00 C ATOM 446 C LYS A 28 2.950 -7.549 -12.418 1.00 0.00 C ATOM 447 O LYS A 28 3.632 -8.487 -12.051 1.00 0.00 O ATOM 448 CB LYS A 28 1.439 -8.944 -14.227 1.00 0.00 C ATOM 449 CG LYS A 28 1.723 -10.352 -13.683 1.00 0.00 C ATOM 450 CD LYS A 28 3.286 -10.769 -13.637 1.00 0.00 C ATOM 451 CE LYS A 28 4.253 -9.914 -14.492 1.00 0.00 C ATOM 452 NZ LYS A 28 3.704 -9.801 -15.874 1.00 0.00 N ATOM 0 H LYS A 28 0.694 -5.971 -14.031 1.00 0.00 H new ATOM 0 HA LYS A 28 0.976 -7.682 -12.434 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.402 -8.928 -14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.061 -8.805 -15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.314 -10.424 -12.675 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.188 -11.076 -14.297 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.620 -10.728 -12.600 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.372 -11.807 -13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.371 -8.924 -14.051 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.242 -10.373 -14.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.411 -10.141 -16.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.841 -10.377 -15.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.477 -8.807 -16.077 1.00 0.00 H new ATOM 466 N SER A 29 3.218 -6.310 -12.122 1.00 0.00 N ATOM 467 CA SER A 29 4.376 -5.810 -11.293 1.00 0.00 C ATOM 468 C SER A 29 3.776 -4.578 -10.543 1.00 0.00 C ATOM 469 O SER A 29 2.583 -4.556 -10.317 1.00 0.00 O ATOM 470 CB SER A 29 5.575 -5.370 -12.195 1.00 0.00 C ATOM 471 OG SER A 29 6.534 -4.855 -11.257 1.00 0.00 O ATOM 0 H SER A 29 2.627 -5.547 -12.451 1.00 0.00 H new ATOM 0 HA SER A 29 4.774 -6.574 -10.625 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.979 -6.209 -12.761 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.275 -4.612 -12.918 1.00 0.00 H new ATOM 0 HG SER A 29 7.332 -4.552 -11.738 1.00 0.00 H new ATOM 477 N CYS A 30 4.531 -3.582 -10.183 1.00 0.00 N ATOM 478 CA CYS A 30 3.950 -2.402 -9.458 1.00 0.00 C ATOM 479 C CYS A 30 4.075 -1.028 -10.170 1.00 0.00 C ATOM 480 O CYS A 30 5.010 -0.743 -10.892 1.00 0.00 O ATOM 481 CB CYS A 30 4.623 -2.423 -8.086 1.00 0.00 C ATOM 482 SG CYS A 30 4.328 -3.928 -7.135 1.00 0.00 S ATOM 0 H CYS A 30 5.534 -3.526 -10.357 1.00 0.00 H new ATOM 0 HA CYS A 30 2.866 -2.504 -9.406 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.697 -2.297 -8.220 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.271 -1.568 -7.509 1.00 0.00 H new ATOM 487 N ALA A 31 3.101 -0.203 -9.919 1.00 0.00 N ATOM 488 CA ALA A 31 3.003 1.165 -10.492 1.00 0.00 C ATOM 489 C ALA A 31 2.748 2.158 -9.338 1.00 0.00 C ATOM 490 O ALA A 31 2.691 1.778 -8.190 1.00 0.00 O ATOM 491 CB ALA A 31 1.862 1.104 -11.532 1.00 0.00 C ATOM 0 H ALA A 31 2.323 -0.439 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 31 3.910 1.508 -10.990 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.737 2.084 -11.993 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.108 0.370 -12.300 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.934 0.815 -11.038 1.00 0.00 H new ATOM 497 N ARG A 32 2.582 3.392 -9.679 1.00 0.00 N ATOM 498 CA ARG A 32 2.341 4.483 -8.693 1.00 0.00 C ATOM 499 C ARG A 32 0.909 5.064 -8.584 1.00 0.00 C ATOM 500 O ARG A 32 0.215 5.176 -9.572 1.00 0.00 O ATOM 501 CB ARG A 32 3.299 5.577 -9.078 1.00 0.00 C ATOM 502 CG ARG A 32 4.751 5.085 -9.056 1.00 0.00 C ATOM 503 CD ARG A 32 5.648 6.073 -9.797 1.00 0.00 C ATOM 504 NE ARG A 32 5.768 7.281 -8.912 1.00 0.00 N ATOM 505 CZ ARG A 32 5.435 8.430 -9.311 1.00 0.00 C ATOM 506 NH1 ARG A 32 4.234 8.750 -9.194 1.00 0.00 N ATOM 507 NH2 ARG A 32 6.322 9.169 -9.790 1.00 0.00 N ATOM 0 H ARG A 32 2.603 3.712 -10.647 1.00 0.00 H new ATOM 0 HA ARG A 32 2.488 4.051 -7.703 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.053 5.944 -10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.188 6.417 -8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.091 4.974 -8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.817 4.101 -9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.627 5.637 -9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.218 6.340 -10.762 1.00 0.00 H new ATOM 0 HE ARG A 32 6.128 7.169 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.568 8.092 -8.789 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.919 9.669 -9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.285 8.837 -9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.083 10.104 -10.121 1.00 0.00 H new ATOM 521 N PHE A 33 0.533 5.419 -7.388 1.00 0.00 N ATOM 522 CA PHE A 33 -0.827 6.013 -7.131 1.00 0.00 C ATOM 523 C PHE A 33 -0.720 7.296 -6.240 1.00 0.00 C ATOM 524 O PHE A 33 0.284 7.500 -5.575 1.00 0.00 O ATOM 525 CB PHE A 33 -1.707 4.888 -6.492 1.00 0.00 C ATOM 526 CG PHE A 33 -1.499 4.559 -5.009 1.00 0.00 C ATOM 527 CD1 PHE A 33 -0.502 3.709 -4.592 1.00 0.00 C ATOM 528 CD2 PHE A 33 -2.348 5.100 -4.067 1.00 0.00 C ATOM 529 CE1 PHE A 33 -0.368 3.407 -3.253 1.00 0.00 C ATOM 530 CE2 PHE A 33 -2.218 4.802 -2.730 1.00 0.00 C ATOM 531 CZ PHE A 33 -1.224 3.950 -2.320 1.00 0.00 C ATOM 0 H PHE A 33 1.116 5.324 -6.556 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.296 6.350 -8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.752 5.166 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.543 3.973 -7.062 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.176 3.278 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.132 5.772 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.416 2.738 -2.932 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.894 5.236 -2.008 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.113 3.707 -1.274 1.00 0.00 H new ATOM 541 N TRP A 34 -1.755 8.091 -6.269 1.00 0.00 N ATOM 542 CA TRP A 34 -1.888 9.401 -5.506 1.00 0.00 C ATOM 543 C TRP A 34 -2.915 9.507 -4.302 1.00 0.00 C ATOM 544 O TRP A 34 -3.774 10.367 -4.334 1.00 0.00 O ATOM 545 CB TRP A 34 -2.282 10.456 -6.559 1.00 0.00 C ATOM 546 CG TRP A 34 -1.250 11.189 -7.384 1.00 0.00 C ATOM 547 CD1 TRP A 34 -1.379 11.167 -8.713 1.00 0.00 C ATOM 548 CD2 TRP A 34 -0.209 11.969 -7.024 1.00 0.00 C ATOM 549 NE1 TRP A 34 -0.403 11.951 -9.135 1.00 0.00 N ATOM 550 CE2 TRP A 34 0.355 12.483 -8.192 1.00 0.00 C ATOM 551 CE3 TRP A 34 0.333 12.326 -5.785 1.00 0.00 C ATOM 552 CZ2 TRP A 34 1.437 13.347 -8.143 1.00 0.00 C ATOM 553 CZ3 TRP A 34 1.421 13.197 -5.730 1.00 0.00 C ATOM 554 CH2 TRP A 34 1.976 13.708 -6.907 1.00 0.00 C ATOM 0 H TRP A 34 -2.581 7.880 -6.829 1.00 0.00 H new ATOM 0 HA TRP A 34 -0.928 9.530 -5.006 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.954 9.963 -7.262 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -2.866 11.216 -6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -2.109 10.634 -9.304 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -0.244 12.134 -10.126 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.090 11.929 -4.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.861 13.739 -9.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.837 13.478 -4.774 1.00 0.00 H new ATOM 0 HH2 TRP A 34 2.820 14.380 -6.860 1.00 0.00 H new ATOM 565 N TYR A 35 -2.876 8.737 -3.251 1.00 0.00 N ATOM 566 CA TYR A 35 -3.954 8.973 -2.201 1.00 0.00 C ATOM 567 C TYR A 35 -3.733 10.208 -1.295 1.00 0.00 C ATOM 568 O TYR A 35 -4.589 11.058 -1.203 1.00 0.00 O ATOM 569 CB TYR A 35 -4.106 7.694 -1.291 1.00 0.00 C ATOM 570 CG TYR A 35 -3.110 7.662 -0.122 1.00 0.00 C ATOM 571 CD1 TYR A 35 -1.809 7.247 -0.277 1.00 0.00 C ATOM 572 CD2 TYR A 35 -3.526 8.085 1.128 1.00 0.00 C ATOM 573 CE1 TYR A 35 -0.950 7.262 0.803 1.00 0.00 C ATOM 574 CE2 TYR A 35 -2.652 8.093 2.198 1.00 0.00 C ATOM 575 CZ TYR A 35 -1.362 7.682 2.030 1.00 0.00 C ATOM 576 OH TYR A 35 -0.470 7.698 3.071 1.00 0.00 O ATOM 0 H TYR A 35 -2.200 7.997 -3.062 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.861 9.175 -2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.121 7.655 -0.896 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.968 6.802 -1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.460 6.910 -1.242 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.545 8.413 1.269 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.070 6.934 0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.990 8.425 3.168 1.00 0.00 H new ATOM 0 HH TYR A 35 -0.917 8.024 3.880 1.00 0.00 H new ATOM 586 N GLY A 36 -2.616 10.307 -0.629 1.00 0.00 N ATOM 587 CA GLY A 36 -2.350 11.502 0.273 1.00 0.00 C ATOM 588 C GLY A 36 -2.683 11.225 1.730 1.00 0.00 C ATOM 589 O GLY A 36 -1.821 10.961 2.543 1.00 0.00 O ATOM 0 H GLY A 36 -1.864 9.618 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.301 11.786 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.938 12.352 -0.074 1.00 0.00 H new ATOM 593 N GLY A 37 -3.957 11.278 2.007 1.00 0.00 N ATOM 594 CA GLY A 37 -4.457 11.031 3.417 1.00 0.00 C ATOM 595 C GLY A 37 -5.205 9.731 3.725 1.00 0.00 C ATOM 596 O GLY A 37 -4.789 8.988 4.590 1.00 0.00 O ATOM 0 H GLY A 37 -4.687 11.482 1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.596 11.081 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.114 11.859 3.682 1.00 0.00 H new ATOM 600 N CYS A 38 -6.273 9.436 3.048 1.00 0.00 N ATOM 601 CA CYS A 38 -7.016 8.162 3.351 1.00 0.00 C ATOM 602 C CYS A 38 -6.370 6.907 2.693 1.00 0.00 C ATOM 603 O CYS A 38 -6.938 6.265 1.840 1.00 0.00 O ATOM 604 CB CYS A 38 -8.456 8.394 2.864 1.00 0.00 C ATOM 605 SG CYS A 38 -9.001 10.102 2.654 1.00 0.00 S ATOM 0 H CYS A 38 -6.670 10.008 2.303 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.984 7.945 4.419 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.574 7.884 1.908 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.131 7.910 3.569 1.00 0.00 H new ATOM 610 N GLY A 39 -5.178 6.604 3.141 1.00 0.00 N ATOM 611 CA GLY A 39 -4.317 5.426 2.670 1.00 0.00 C ATOM 612 C GLY A 39 -4.628 4.630 1.378 1.00 0.00 C ATOM 613 O GLY A 39 -3.758 4.428 0.553 1.00 0.00 O ATOM 0 H GLY A 39 -4.720 7.156 3.867 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.301 5.805 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.305 4.703 3.486 1.00 0.00 H new ATOM 617 N GLY A 40 -5.837 4.179 1.237 1.00 0.00 N ATOM 618 CA GLY A 40 -6.286 3.379 0.034 1.00 0.00 C ATOM 619 C GLY A 40 -6.203 1.897 0.393 1.00 0.00 C ATOM 620 O GLY A 40 -5.665 1.576 1.429 1.00 0.00 O ATOM 0 H GLY A 40 -6.573 4.331 1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.306 3.647 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.654 3.598 -0.827 1.00 0.00 H new ATOM 624 N ASN A 41 -6.706 1.022 -0.425 1.00 0.00 N ATOM 625 CA ASN A 41 -6.639 -0.458 -0.107 1.00 0.00 C ATOM 626 C ASN A 41 -5.230 -0.968 0.359 1.00 0.00 C ATOM 627 O ASN A 41 -4.237 -0.268 0.231 1.00 0.00 O ATOM 628 CB ASN A 41 -7.118 -1.169 -1.385 1.00 0.00 C ATOM 629 CG ASN A 41 -6.171 -0.904 -2.538 1.00 0.00 C ATOM 630 OD1 ASN A 41 -5.620 0.162 -2.719 1.00 0.00 O ATOM 631 ND2 ASN A 41 -5.936 -1.839 -3.376 1.00 0.00 N ATOM 0 H ASN A 41 -7.165 1.252 -1.306 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.268 -0.678 0.755 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.187 -2.242 -1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.119 -0.824 -1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.305 -1.674 -4.161 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.379 -2.751 -3.260 1.00 0.00 H new ATOM 638 N GLU A 42 -5.138 -2.165 0.866 1.00 0.00 N ATOM 639 CA GLU A 42 -3.798 -2.682 1.328 1.00 0.00 C ATOM 640 C GLU A 42 -2.851 -3.233 0.246 1.00 0.00 C ATOM 641 O GLU A 42 -2.226 -4.264 0.325 1.00 0.00 O ATOM 642 CB GLU A 42 -4.121 -3.730 2.424 1.00 0.00 C ATOM 643 CG GLU A 42 -5.044 -3.032 3.505 1.00 0.00 C ATOM 644 CD GLU A 42 -4.688 -1.569 3.736 1.00 0.00 C ATOM 645 OE1 GLU A 42 -3.616 -1.299 4.238 1.00 0.00 O ATOM 646 OE2 GLU A 42 -5.500 -0.743 3.374 1.00 0.00 O ATOM 0 H GLU A 42 -5.919 -2.811 0.984 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.211 -1.840 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.626 -4.593 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.203 -4.096 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.084 -3.101 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.963 -3.573 4.448 1.00 0.00 H new ATOM 653 N ASN A 43 -2.810 -2.438 -0.776 1.00 0.00 N ATOM 654 CA ASN A 43 -1.987 -2.630 -2.011 1.00 0.00 C ATOM 655 C ASN A 43 -1.355 -1.209 -2.078 1.00 0.00 C ATOM 656 O ASN A 43 -1.696 -0.347 -2.878 1.00 0.00 O ATOM 657 CB ASN A 43 -3.016 -2.975 -3.086 1.00 0.00 C ATOM 658 CG ASN A 43 -2.408 -3.295 -4.428 1.00 0.00 C ATOM 659 OD1 ASN A 43 -1.224 -3.204 -4.626 1.00 0.00 O ATOM 660 ND2 ASN A 43 -3.148 -3.672 -5.410 1.00 0.00 N ATOM 0 H ASN A 43 -3.365 -1.583 -0.811 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.217 -3.398 -2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.605 -3.829 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.704 -2.137 -3.199 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.727 -3.881 -6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.156 -3.762 -5.284 1.00 0.00 H new ATOM 667 N LYS A 44 -0.463 -1.044 -1.144 1.00 0.00 N ATOM 668 CA LYS A 44 0.304 0.235 -0.962 1.00 0.00 C ATOM 669 C LYS A 44 1.739 0.160 -0.345 1.00 0.00 C ATOM 670 O LYS A 44 1.926 -0.134 0.816 1.00 0.00 O ATOM 671 CB LYS A 44 -0.610 1.164 -0.135 1.00 0.00 C ATOM 672 CG LYS A 44 -0.990 0.507 1.201 1.00 0.00 C ATOM 673 CD LYS A 44 -1.393 1.643 2.152 1.00 0.00 C ATOM 674 CE LYS A 44 -2.893 1.950 2.163 1.00 0.00 C ATOM 675 NZ LYS A 44 -3.578 0.755 2.708 1.00 0.00 N ATOM 0 H LYS A 44 -0.220 -1.769 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 44 0.533 0.603 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.102 2.110 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.512 1.393 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.813 -0.196 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.151 -0.058 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.079 1.384 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.851 2.546 1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.102 2.827 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.248 2.172 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.572 0.985 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.534 -0.018 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.109 0.457 3.587 1.00 0.00 H new ATOM 689 N PHE A 45 2.700 0.445 -1.172 1.00 0.00 N ATOM 690 CA PHE A 45 4.155 0.428 -0.786 1.00 0.00 C ATOM 691 C PHE A 45 4.876 1.787 -1.000 1.00 0.00 C ATOM 692 O PHE A 45 4.349 2.717 -1.589 1.00 0.00 O ATOM 693 CB PHE A 45 4.812 -0.695 -1.637 1.00 0.00 C ATOM 694 CG PHE A 45 3.994 -1.986 -1.485 1.00 0.00 C ATOM 695 CD1 PHE A 45 4.267 -2.878 -0.475 1.00 0.00 C ATOM 696 CD2 PHE A 45 2.961 -2.258 -2.360 1.00 0.00 C ATOM 697 CE1 PHE A 45 3.517 -4.032 -0.339 1.00 0.00 C ATOM 698 CE2 PHE A 45 2.212 -3.407 -2.230 1.00 0.00 C ATOM 699 CZ PHE A 45 2.486 -4.293 -1.220 1.00 0.00 C ATOM 0 H PHE A 45 2.539 0.702 -2.146 1.00 0.00 H new ATOM 0 HA PHE A 45 4.246 0.242 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.853 -0.397 -2.685 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.839 -0.860 -1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.072 -2.676 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.738 -1.562 -3.155 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.738 -4.729 0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.409 -3.610 -2.923 1.00 0.00 H new ATOM 0 HZ PHE A 45 1.897 -5.192 -1.114 1.00 0.00 H new ATOM 709 N GLY A 46 6.075 1.864 -0.513 1.00 0.00 N ATOM 710 CA GLY A 46 6.951 3.097 -0.627 1.00 0.00 C ATOM 711 C GLY A 46 7.710 3.152 -1.969 1.00 0.00 C ATOM 712 O GLY A 46 7.920 4.212 -2.525 1.00 0.00 O ATOM 0 H GLY A 46 6.521 1.094 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.334 3.990 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.668 3.108 0.194 1.00 0.00 H new ATOM 716 N SER A 47 8.111 2.019 -2.465 1.00 0.00 N ATOM 717 CA SER A 47 8.866 1.896 -3.778 1.00 0.00 C ATOM 718 C SER A 47 8.409 0.780 -4.736 1.00 0.00 C ATOM 719 O SER A 47 7.834 -0.206 -4.324 1.00 0.00 O ATOM 720 CB SER A 47 10.358 1.691 -3.500 1.00 0.00 C ATOM 721 OG SER A 47 10.779 2.995 -3.123 1.00 0.00 O ATOM 0 H SER A 47 7.947 1.123 -2.005 1.00 0.00 H new ATOM 0 HA SER A 47 8.648 2.834 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.527 0.964 -2.706 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.890 1.331 -4.381 1.00 0.00 H new ATOM 0 HG SER A 47 11.737 2.983 -2.917 1.00 0.00 H new ATOM 727 N GLN A 48 8.680 0.922 -6.008 1.00 0.00 N ATOM 728 CA GLN A 48 8.260 -0.132 -7.000 1.00 0.00 C ATOM 729 C GLN A 48 8.754 -1.518 -6.571 1.00 0.00 C ATOM 730 O GLN A 48 8.002 -2.439 -6.335 1.00 0.00 O ATOM 731 CB GLN A 48 8.834 0.260 -8.381 1.00 0.00 C ATOM 732 CG GLN A 48 8.363 -0.763 -9.500 1.00 0.00 C ATOM 733 CD GLN A 48 9.082 -2.100 -9.490 1.00 0.00 C ATOM 734 OE1 GLN A 48 10.264 -2.203 -9.250 1.00 0.00 O ATOM 735 NE2 GLN A 48 8.424 -3.164 -9.754 1.00 0.00 N ATOM 0 H GLN A 48 9.173 1.719 -6.409 1.00 0.00 H new ATOM 0 HA GLN A 48 7.173 -0.186 -7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.508 1.267 -8.642 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.923 0.279 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.294 -0.941 -9.381 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.503 -0.300 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.427 -3.109 -9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.896 -4.068 -9.758 1.00 0.00 H new ATOM 744 N LYS A 49 10.049 -1.612 -6.479 1.00 0.00 N ATOM 745 CA LYS A 49 10.648 -2.913 -6.068 1.00 0.00 C ATOM 746 C LYS A 49 10.069 -3.385 -4.728 1.00 0.00 C ATOM 747 O LYS A 49 9.766 -4.545 -4.594 1.00 0.00 O ATOM 748 CB LYS A 49 12.208 -2.734 -6.029 1.00 0.00 C ATOM 749 CG LYS A 49 12.735 -2.659 -7.496 1.00 0.00 C ATOM 750 CD LYS A 49 12.493 -4.047 -8.201 1.00 0.00 C ATOM 751 CE LYS A 49 12.694 -3.967 -9.708 1.00 0.00 C ATOM 752 NZ LYS A 49 12.119 -5.237 -10.220 1.00 0.00 N ATOM 0 H LYS A 49 10.711 -0.859 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 49 10.402 -3.696 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.472 -1.827 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.672 -3.568 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.222 -1.866 -8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.797 -2.414 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.174 -4.789 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.480 -4.389 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.187 -3.101 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.749 -3.876 -9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.713 -5.601 -10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.083 -5.937 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.157 -5.064 -10.575 1.00 0.00 H new ATOM 766 N GLU A 50 9.933 -2.504 -3.776 1.00 0.00 N ATOM 767 CA GLU A 50 9.358 -2.881 -2.443 1.00 0.00 C ATOM 768 C GLU A 50 8.064 -3.718 -2.696 1.00 0.00 C ATOM 769 O GLU A 50 7.915 -4.847 -2.268 1.00 0.00 O ATOM 770 CB GLU A 50 9.106 -1.581 -1.751 1.00 0.00 C ATOM 771 CG GLU A 50 8.543 -1.765 -0.313 1.00 0.00 C ATOM 772 CD GLU A 50 7.899 -0.477 0.166 1.00 0.00 C ATOM 773 OE1 GLU A 50 8.453 0.568 -0.115 1.00 0.00 O ATOM 774 OE2 GLU A 50 6.867 -0.593 0.788 1.00 0.00 O ATOM 0 H GLU A 50 10.198 -1.523 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 50 10.006 -3.499 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.036 -1.014 -1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.403 -0.991 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.811 -2.572 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.346 -2.053 0.366 1.00 0.00 H new ATOM 781 N CYS A 51 7.177 -3.085 -3.421 1.00 0.00 N ATOM 782 CA CYS A 51 5.859 -3.697 -3.804 1.00 0.00 C ATOM 783 C CYS A 51 6.086 -5.041 -4.554 1.00 0.00 C ATOM 784 O CYS A 51 5.589 -6.087 -4.183 1.00 0.00 O ATOM 785 CB CYS A 51 5.144 -2.665 -4.680 1.00 0.00 C ATOM 786 SG CYS A 51 3.578 -3.147 -5.437 1.00 0.00 S ATOM 0 H CYS A 51 7.313 -2.139 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 51 5.252 -3.935 -2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.964 -1.777 -4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.826 -2.373 -5.478 1.00 0.00 H new ATOM 791 N GLU A 52 6.847 -4.992 -5.615 1.00 0.00 N ATOM 792 CA GLU A 52 7.149 -6.225 -6.425 1.00 0.00 C ATOM 793 C GLU A 52 7.619 -7.339 -5.462 1.00 0.00 C ATOM 794 O GLU A 52 7.115 -8.438 -5.474 1.00 0.00 O ATOM 795 CB GLU A 52 8.221 -5.770 -7.482 1.00 0.00 C ATOM 796 CG GLU A 52 8.607 -6.975 -8.422 1.00 0.00 C ATOM 797 CD GLU A 52 9.728 -6.654 -9.386 1.00 0.00 C ATOM 798 OE1 GLU A 52 9.558 -5.755 -10.184 1.00 0.00 O ATOM 799 OE2 GLU A 52 10.752 -7.296 -9.313 1.00 0.00 O ATOM 0 H GLU A 52 7.282 -4.139 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 52 6.296 -6.646 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.828 -4.946 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.110 -5.398 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.900 -7.826 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.727 -7.279 -8.989 1.00 0.00 H new ATOM 806 N LYS A 53 8.561 -7.046 -4.625 1.00 0.00 N ATOM 807 CA LYS A 53 9.081 -8.058 -3.647 1.00 0.00 C ATOM 808 C LYS A 53 7.940 -8.728 -2.811 1.00 0.00 C ATOM 809 O LYS A 53 8.098 -9.830 -2.315 1.00 0.00 O ATOM 810 CB LYS A 53 10.118 -7.283 -2.769 1.00 0.00 C ATOM 811 CG LYS A 53 11.006 -8.264 -1.975 1.00 0.00 C ATOM 812 CD LYS A 53 10.301 -8.749 -0.653 1.00 0.00 C ATOM 813 CE LYS A 53 10.808 -10.139 -0.290 1.00 0.00 C ATOM 814 NZ LYS A 53 10.386 -11.029 -1.387 1.00 0.00 N ATOM 0 H LYS A 53 9.010 -6.132 -4.567 1.00 0.00 H new ATOM 0 HA LYS A 53 9.551 -8.902 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.741 -6.654 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.595 -6.620 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.243 -9.126 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.951 -7.780 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.507 -8.051 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.220 -8.769 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.893 -10.142 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.392 -10.469 0.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.460 -12.019 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.401 -10.819 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.000 -10.877 -2.213 1.00 0.00 H new ATOM 828 N VAL A 54 6.840 -8.037 -2.674 1.00 0.00 N ATOM 829 CA VAL A 54 5.640 -8.518 -1.909 1.00 0.00 C ATOM 830 C VAL A 54 4.592 -9.219 -2.812 1.00 0.00 C ATOM 831 O VAL A 54 4.124 -10.299 -2.510 1.00 0.00 O ATOM 832 CB VAL A 54 5.028 -7.271 -1.214 1.00 0.00 C ATOM 833 CG1 VAL A 54 3.656 -7.610 -0.587 1.00 0.00 C ATOM 834 CG2 VAL A 54 5.943 -6.793 -0.087 1.00 0.00 C ATOM 0 H VAL A 54 6.715 -7.110 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 54 5.945 -9.273 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 54 4.913 -6.497 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.246 -6.722 -0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.973 -7.948 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.780 -8.400 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.503 -5.918 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.061 -7.589 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.918 -6.530 -0.497 1.00 0.00 H new ATOM 844 N CYS A 55 4.270 -8.581 -3.897 1.00 0.00 N ATOM 845 CA CYS A 55 3.262 -9.119 -4.873 1.00 0.00 C ATOM 846 C CYS A 55 3.789 -10.019 -6.021 1.00 0.00 C ATOM 847 O CYS A 55 3.045 -10.776 -6.618 1.00 0.00 O ATOM 848 CB CYS A 55 2.544 -7.880 -5.381 1.00 0.00 C ATOM 849 SG CYS A 55 1.623 -6.964 -4.125 1.00 0.00 S ATOM 0 H CYS A 55 4.670 -7.682 -4.164 1.00 0.00 H new ATOM 0 HA CYS A 55 2.615 -9.832 -4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.278 -7.212 -5.831 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.855 -8.176 -6.172 1.00 0.00 H new ATOM 854 N ALA A 56 5.050 -9.912 -6.317 1.00 0.00 N ATOM 855 CA ALA A 56 5.700 -10.736 -7.399 1.00 0.00 C ATOM 856 C ALA A 56 6.477 -11.964 -6.779 1.00 0.00 C ATOM 857 O ALA A 56 7.663 -12.099 -6.970 1.00 0.00 O ATOM 858 CB ALA A 56 6.653 -9.785 -8.156 1.00 0.00 C ATOM 0 H ALA A 56 5.687 -9.270 -5.845 1.00 0.00 H new ATOM 0 HA ALA A 56 4.958 -11.157 -8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.153 -10.332 -8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.081 -8.961 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.398 -9.390 -7.465 1.00 0.00 H new ATOM 864 N PRO A 57 5.775 -12.821 -6.068 1.00 0.00 N ATOM 865 CA PRO A 57 6.285 -13.533 -4.840 1.00 0.00 C ATOM 866 C PRO A 57 7.758 -14.057 -4.707 1.00 0.00 C ATOM 867 O PRO A 57 7.973 -15.239 -4.501 1.00 0.00 O ATOM 868 CB PRO A 57 5.198 -14.657 -4.656 1.00 0.00 C ATOM 869 CG PRO A 57 4.507 -14.731 -6.044 1.00 0.00 C ATOM 870 CD PRO A 57 4.390 -13.253 -6.394 1.00 0.00 C ATOM 0 HA PRO A 57 6.401 -12.791 -4.050 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.650 -15.610 -4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.489 -14.403 -3.868 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.104 -15.281 -6.772 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.534 -15.221 -5.994 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.134 -13.088 -7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.638 -12.738 -5.797 1.00 0.00 H new ATOM 878 N VAL A 58 8.703 -13.169 -4.829 1.00 0.00 N ATOM 879 CA VAL A 58 10.161 -13.506 -4.717 1.00 0.00 C ATOM 880 C VAL A 58 10.766 -12.602 -3.607 1.00 0.00 C ATOM 881 O VAL A 58 11.146 -13.133 -2.573 1.00 0.00 O ATOM 882 CB VAL A 58 10.824 -13.250 -6.107 1.00 0.00 C ATOM 883 CG1 VAL A 58 12.331 -13.543 -6.038 1.00 0.00 C ATOM 884 CG2 VAL A 58 10.224 -14.201 -7.162 1.00 0.00 C ATOM 885 OXT VAL A 58 10.834 -11.395 -3.796 1.00 0.00 O ATOM 0 H VAL A 58 8.522 -12.181 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 58 10.330 -14.549 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 58 10.645 -12.209 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.782 -13.361 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.795 -12.892 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 58 12.487 -14.584 -5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.693 -14.015 -8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 58 10.404 -15.234 -6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.151 -14.027 -7.240 1.00 0.00 H new TER 895 VAL A 58