USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 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 43 ASN : amide:sc= -0.0425 K(o=-0.043,f=-2.1!) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 HIS : no HD1:sc= -0.799 K(o=-0.8,f=-1.9) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -97:sc= 0.624! (180deg=-1.32!) USER MOD Single : A 4 THR OG1 : rot -70:sc= 2.3 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.946! F(o=-2.8,f=-0.95!) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.87 (180deg=-1.82!) USER MOD Single : A 37 THR OG1 : rot -18:sc= -0.259 USER MOD Single : A 55 ASN : amide:sc= -0.657 K(o=-0.66,f=-1.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 62 GLN : amide:sc= -0.925 X(o=-0.92,f=-1.1) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -135:sc= -0.0182 (180deg=-0.123) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 89 LYS NZ :NH3+ -111:sc= -0.392 (180deg=-1.49!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.340 -20.532 -3.693 1.00 0.00 N ATOM 2 CA MET A 1 3.915 -19.325 -4.459 1.00 0.00 C ATOM 3 C MET A 1 3.383 -19.739 -5.831 1.00 0.00 C ATOM 4 O MET A 1 3.463 -20.904 -6.222 1.00 0.00 O ATOM 5 CB MET A 1 5.108 -18.370 -4.630 1.00 0.00 C ATOM 6 CG MET A 1 6.343 -19.145 -5.124 1.00 0.00 C ATOM 7 SD MET A 1 7.103 -20.018 -3.732 1.00 0.00 S ATOM 8 CE MET A 1 8.020 -21.239 -4.700 1.00 0.00 C ATOM 0 H1 MET A 1 3.575 -20.823 -3.052 1.00 0.00 H new ATOM 0 H2 MET A 1 4.551 -21.306 -4.354 1.00 0.00 H new ATOM 0 H3 MET A 1 5.191 -20.309 -3.138 1.00 0.00 H new ATOM 0 HA MET A 1 3.124 -18.815 -3.909 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.855 -17.584 -5.341 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.331 -17.882 -3.681 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.054 -19.855 -5.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.061 -18.459 -5.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.573 -21.895 -4.028 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.323 -21.831 -5.293 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.718 -20.728 -5.363 1.00 0.00 H new ATOM 20 N GLU A 2 2.830 -18.764 -6.542 1.00 0.00 N ATOM 21 CA GLU A 2 2.266 -18.994 -7.863 1.00 0.00 C ATOM 22 C GLU A 2 1.771 -17.666 -8.466 1.00 0.00 C ATOM 23 O GLU A 2 2.223 -17.280 -9.543 1.00 0.00 O ATOM 24 CB GLU A 2 1.137 -20.056 -7.769 1.00 0.00 C ATOM 25 CG GLU A 2 0.139 -19.953 -8.939 1.00 0.00 C ATOM 26 CD GLU A 2 0.877 -19.902 -10.273 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.650 -20.810 -10.535 1.00 0.00 O ATOM 28 OE2 GLU A 2 0.652 -18.961 -11.015 1.00 0.00 O ATOM 0 H GLU A 2 2.761 -17.798 -6.221 1.00 0.00 H new ATOM 0 HA GLU A 2 3.032 -19.384 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.579 -21.053 -7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.603 -19.933 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.537 -20.808 -8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.475 -19.060 -8.823 1.00 0.00 H new ATOM 35 N PRO A 3 0.865 -16.960 -7.812 1.00 0.00 N ATOM 36 CA PRO A 3 0.337 -15.660 -8.343 1.00 0.00 C ATOM 37 C PRO A 3 1.456 -14.643 -8.571 1.00 0.00 C ATOM 38 O PRO A 3 1.996 -14.532 -9.672 1.00 0.00 O ATOM 39 CB PRO A 3 -0.653 -15.190 -7.241 1.00 0.00 C ATOM 40 CG PRO A 3 -0.208 -15.916 -6.012 1.00 0.00 C ATOM 41 CD PRO A 3 0.232 -17.285 -6.513 1.00 0.00 C ATOM 0 HA PRO A 3 -0.139 -15.768 -9.317 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.611 -14.110 -7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.683 -15.438 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.610 -15.393 -5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.017 -16.001 -5.287 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.933 -17.762 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.612 -17.965 -6.631 1.00 0.00 H new ATOM 49 N THR A 4 1.790 -13.899 -7.521 1.00 0.00 N ATOM 50 CA THR A 4 2.833 -12.884 -7.600 1.00 0.00 C ATOM 51 C THR A 4 3.309 -12.514 -6.201 1.00 0.00 C ATOM 52 O THR A 4 3.090 -11.398 -5.733 1.00 0.00 O ATOM 53 CB THR A 4 2.286 -11.638 -8.305 1.00 0.00 C ATOM 54 OG1 THR A 4 3.142 -10.533 -8.048 1.00 0.00 O ATOM 55 CG2 THR A 4 0.879 -11.331 -7.784 1.00 0.00 C ATOM 0 H THR A 4 1.352 -13.981 -6.604 1.00 0.00 H new ATOM 0 HA THR A 4 3.674 -13.282 -8.167 1.00 0.00 H new ATOM 0 HB THR A 4 2.242 -11.819 -9.379 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.057 -10.264 -7.109 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.491 -10.445 -8.286 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.224 -12.178 -7.985 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.920 -11.151 -6.710 1.00 0.00 H new ATOM 63 N ALA A 5 3.958 -13.462 -5.536 1.00 0.00 N ATOM 64 CA ALA A 5 4.456 -13.230 -4.187 1.00 0.00 C ATOM 65 C ALA A 5 5.668 -12.305 -4.226 1.00 0.00 C ATOM 66 O ALA A 5 6.734 -12.676 -4.720 1.00 0.00 O ATOM 67 CB ALA A 5 4.835 -14.566 -3.548 1.00 0.00 C ATOM 0 H ALA A 5 4.151 -14.393 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 5 3.676 -12.755 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.208 -14.394 -2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.957 -15.211 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.610 -15.047 -4.144 1.00 0.00 H new ATOM 73 N PHE A 6 5.488 -11.091 -3.712 1.00 0.00 N ATOM 74 CA PHE A 6 6.557 -10.095 -3.695 1.00 0.00 C ATOM 75 C PHE A 6 7.543 -10.392 -2.569 1.00 0.00 C ATOM 76 O PHE A 6 7.147 -10.775 -1.469 1.00 0.00 O ATOM 77 CB PHE A 6 5.942 -8.703 -3.492 1.00 0.00 C ATOM 78 CG PHE A 6 5.129 -8.321 -4.718 1.00 0.00 C ATOM 79 CD1 PHE A 6 3.852 -8.865 -4.902 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.649 -7.428 -5.666 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.097 -8.519 -6.031 1.00 0.00 C ATOM 82 CE2 PHE A 6 4.894 -7.082 -6.794 1.00 0.00 C ATOM 83 CZ PHE A 6 3.619 -7.628 -6.976 1.00 0.00 C ATOM 0 H PHE A 6 4.611 -10.772 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 6 7.094 -10.129 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.306 -8.701 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.729 -7.968 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.448 -9.552 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.633 -7.006 -5.526 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.112 -8.940 -6.172 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.296 -6.394 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.037 -7.362 -7.846 1.00 0.00 H new ATOM 93 N SER A 7 8.834 -10.210 -2.856 1.00 0.00 N ATOM 94 CA SER A 7 9.887 -10.456 -1.866 1.00 0.00 C ATOM 95 C SER A 7 10.146 -9.203 -1.042 1.00 0.00 C ATOM 96 O SER A 7 9.579 -8.149 -1.310 1.00 0.00 O ATOM 97 CB SER A 7 11.180 -10.868 -2.568 1.00 0.00 C ATOM 98 OG SER A 7 10.915 -11.956 -3.444 1.00 0.00 O ATOM 0 H SER A 7 9.176 -9.894 -3.764 1.00 0.00 H new ATOM 0 HA SER A 7 9.555 -11.258 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.587 -10.026 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.931 -11.154 -1.832 1.00 0.00 H new ATOM 0 HG SER A 7 11.743 -12.221 -3.897 1.00 0.00 H new ATOM 104 N GLY A 8 11.007 -9.324 -0.041 1.00 0.00 N ATOM 105 CA GLY A 8 11.331 -8.190 0.813 1.00 0.00 C ATOM 106 C GLY A 8 12.048 -7.095 0.029 1.00 0.00 C ATOM 107 O GLY A 8 11.923 -5.911 0.340 1.00 0.00 O ATOM 0 H GLY A 8 11.491 -10.189 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.417 -7.788 1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.961 -8.522 1.639 1.00 0.00 H new ATOM 111 N SER A 9 12.813 -7.503 -0.979 1.00 0.00 N ATOM 112 CA SER A 9 13.565 -6.557 -1.797 1.00 0.00 C ATOM 113 C SER A 9 12.641 -5.757 -2.710 1.00 0.00 C ATOM 114 O SER A 9 13.081 -4.823 -3.381 1.00 0.00 O ATOM 115 CB SER A 9 14.595 -7.306 -2.642 1.00 0.00 C ATOM 116 OG SER A 9 15.517 -7.964 -1.783 1.00 0.00 O ATOM 0 H SER A 9 12.929 -8.480 -1.249 1.00 0.00 H new ATOM 0 HA SER A 9 14.071 -5.862 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.097 -8.032 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.122 -6.610 -3.295 1.00 0.00 H new ATOM 0 HG SER A 9 16.178 -8.447 -2.321 1.00 0.00 H new ATOM 122 N ASP A 10 11.359 -6.116 -2.737 1.00 0.00 N ATOM 123 CA ASP A 10 10.402 -5.402 -3.580 1.00 0.00 C ATOM 124 C ASP A 10 10.196 -3.988 -3.037 1.00 0.00 C ATOM 125 O ASP A 10 10.354 -3.751 -1.839 1.00 0.00 O ATOM 126 CB ASP A 10 9.055 -6.176 -3.642 1.00 0.00 C ATOM 127 CG ASP A 10 8.076 -5.729 -2.543 1.00 0.00 C ATOM 128 OD1 ASP A 10 7.311 -4.813 -2.800 1.00 0.00 O ATOM 129 OD2 ASP A 10 8.110 -6.298 -1.468 1.00 0.00 O ATOM 0 H ASP A 10 10.963 -6.884 -2.195 1.00 0.00 H new ATOM 0 HA ASP A 10 10.796 -5.332 -4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.596 -6.024 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.247 -7.244 -3.542 1.00 0.00 H new ATOM 134 N VAL A 11 9.832 -3.058 -3.924 1.00 0.00 N ATOM 135 CA VAL A 11 9.586 -1.664 -3.532 1.00 0.00 C ATOM 136 C VAL A 11 8.242 -1.197 -4.121 1.00 0.00 C ATOM 137 O VAL A 11 8.087 -1.174 -5.340 1.00 0.00 O ATOM 138 CB VAL A 11 10.726 -0.771 -4.048 1.00 0.00 C ATOM 139 CG1 VAL A 11 12.046 -1.257 -3.437 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.811 -0.826 -5.593 1.00 0.00 C ATOM 0 H VAL A 11 9.701 -3.243 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 11 9.546 -1.592 -2.445 1.00 0.00 H new ATOM 0 HB VAL A 11 10.533 0.261 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.864 -0.632 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.989 -1.194 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.224 -2.291 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.625 -0.187 -5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.997 -1.852 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.871 -0.478 -6.022 1.00 0.00 H new ATOM 150 N PRO A 12 7.248 -0.851 -3.317 1.00 0.00 N ATOM 151 CA PRO A 12 5.928 -0.420 -3.864 1.00 0.00 C ATOM 152 C PRO A 12 5.969 1.014 -4.393 1.00 0.00 C ATOM 153 O PRO A 12 6.741 1.847 -3.916 1.00 0.00 O ATOM 154 CB PRO A 12 4.983 -0.564 -2.659 1.00 0.00 C ATOM 155 CG PRO A 12 5.855 -0.271 -1.476 1.00 0.00 C ATOM 156 CD PRO A 12 7.245 -0.826 -1.834 1.00 0.00 C ATOM 0 HA PRO A 12 5.611 -1.013 -4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.148 0.134 -2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.558 -1.566 -2.603 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.900 0.800 -1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.465 -0.745 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.041 -0.192 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.397 -1.822 -1.417 1.00 0.00 H new ATOM 164 N ARG A 13 5.121 1.287 -5.381 1.00 0.00 N ATOM 165 CA ARG A 13 5.038 2.616 -5.987 1.00 0.00 C ATOM 166 C ARG A 13 3.655 2.816 -6.595 1.00 0.00 C ATOM 167 O ARG A 13 3.133 1.937 -7.282 1.00 0.00 O ATOM 168 CB ARG A 13 6.117 2.766 -7.063 1.00 0.00 C ATOM 169 CG ARG A 13 6.099 4.190 -7.625 1.00 0.00 C ATOM 170 CD ARG A 13 7.249 4.360 -8.618 1.00 0.00 C ATOM 171 NE ARG A 13 7.045 3.490 -9.775 1.00 0.00 N ATOM 172 CZ ARG A 13 6.157 3.794 -10.718 1.00 0.00 C ATOM 173 NH1 ARG A 13 5.998 3.005 -11.745 1.00 0.00 N ATOM 174 NH2 ARG A 13 5.442 4.881 -10.612 1.00 0.00 N ATOM 0 H ARG A 13 4.478 0.603 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 13 5.201 3.373 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.097 2.545 -6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.946 2.047 -7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.147 4.386 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.194 4.913 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.311 5.399 -8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.196 4.120 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 13 7.593 2.634 -9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.555 2.154 -11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.317 3.239 -12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.565 5.496 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.761 5.116 -11.334 1.00 0.00 H new ATOM 188 N LEU A 14 3.062 3.973 -6.330 1.00 0.00 N ATOM 189 CA LEU A 14 1.733 4.283 -6.845 1.00 0.00 C ATOM 190 C LEU A 14 1.764 4.442 -8.378 1.00 0.00 C ATOM 191 O LEU A 14 2.409 5.364 -8.878 1.00 0.00 O ATOM 192 CB LEU A 14 1.241 5.589 -6.212 1.00 0.00 C ATOM 193 CG LEU A 14 1.283 5.490 -4.675 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.904 6.851 -4.068 1.00 0.00 C ATOM 195 CD2 LEU A 14 0.306 4.400 -4.171 1.00 0.00 C ATOM 0 H LEU A 14 3.479 4.711 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 14 1.060 3.464 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.863 6.419 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.224 5.800 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 14 2.292 5.217 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.933 6.785 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.611 7.609 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.101 7.125 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.351 4.346 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.709 4.650 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.587 3.436 -4.594 1.00 0.00 H new ATOM 207 N PRO A 15 1.101 3.587 -9.149 1.00 0.00 N ATOM 208 CA PRO A 15 1.107 3.706 -10.638 1.00 0.00 C ATOM 209 C PRO A 15 0.148 4.791 -11.125 1.00 0.00 C ATOM 210 O PRO A 15 -0.776 5.184 -10.414 1.00 0.00 O ATOM 211 CB PRO A 15 0.674 2.309 -11.111 1.00 0.00 C ATOM 212 CG PRO A 15 -0.249 1.826 -10.034 1.00 0.00 C ATOM 213 CD PRO A 15 0.275 2.432 -8.715 1.00 0.00 C ATOM 0 HA PRO A 15 2.079 4.002 -11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.170 2.354 -12.077 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.530 1.645 -11.229 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.274 2.143 -10.228 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.256 0.737 -9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.544 2.748 -8.069 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.865 1.709 -8.151 1.00 0.00 H new ATOM 221 N ARG A 16 0.374 5.262 -12.345 1.00 0.00 N ATOM 222 CA ARG A 16 -0.476 6.294 -12.924 1.00 0.00 C ATOM 223 C ARG A 16 -1.927 5.835 -12.970 1.00 0.00 C ATOM 224 O ARG A 16 -2.211 4.648 -13.123 1.00 0.00 O ATOM 225 CB ARG A 16 0.001 6.629 -14.341 1.00 0.00 C ATOM 226 CG ARG A 16 1.377 7.287 -14.273 1.00 0.00 C ATOM 227 CD ARG A 16 1.897 7.525 -15.690 1.00 0.00 C ATOM 228 NE ARG A 16 1.044 8.484 -16.382 1.00 0.00 N ATOM 229 CZ ARG A 16 1.204 8.741 -17.676 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.434 9.614 -18.266 1.00 0.00 N ATOM 231 NH2 ARG A 16 2.129 8.120 -18.357 1.00 0.00 N ATOM 0 H ARG A 16 1.134 4.948 -12.949 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.410 7.183 -12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.049 5.722 -14.944 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.710 7.297 -14.827 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.314 8.232 -13.734 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.070 6.651 -13.722 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.921 7.898 -15.652 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.920 6.584 -16.240 1.00 0.00 H new ATOM 0 HE ARG A 16 0.311 8.967 -15.863 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.289 10.098 -17.734 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.556 9.812 -19.259 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.730 7.437 -17.896 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.251 8.318 -19.350 1.00 0.00 H new ATOM 245 N GLY A 17 -2.839 6.794 -12.841 1.00 0.00 N ATOM 246 CA GLY A 17 -4.270 6.504 -12.873 1.00 0.00 C ATOM 247 C GLY A 17 -4.765 6.025 -11.513 1.00 0.00 C ATOM 248 O GLY A 17 -5.877 5.508 -11.397 1.00 0.00 O ATOM 0 H GLY A 17 -2.613 7.780 -12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.819 7.398 -13.168 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.473 5.742 -13.626 1.00 0.00 H new ATOM 252 N VAL A 18 -3.935 6.203 -10.481 1.00 0.00 N ATOM 253 CA VAL A 18 -4.292 5.792 -9.114 1.00 0.00 C ATOM 254 C VAL A 18 -3.946 6.898 -8.126 1.00 0.00 C ATOM 255 O VAL A 18 -2.845 7.448 -8.151 1.00 0.00 O ATOM 256 CB VAL A 18 -3.540 4.509 -8.738 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.944 4.065 -7.324 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.888 3.404 -9.742 1.00 0.00 C ATOM 0 H VAL A 18 -3.011 6.628 -10.563 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.365 5.603 -9.075 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.467 4.699 -8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.407 3.153 -7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.695 4.851 -6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.017 3.875 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.355 2.491 -9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.962 3.217 -9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.595 3.717 -10.744 1.00 0.00 H new ATOM 268 N ARG A 19 -4.900 7.218 -7.249 1.00 0.00 N ATOM 269 CA ARG A 19 -4.711 8.262 -6.237 1.00 0.00 C ATOM 270 C ARG A 19 -5.253 7.798 -4.896 1.00 0.00 C ATOM 271 O ARG A 19 -6.155 6.962 -4.834 1.00 0.00 O ATOM 272 CB ARG A 19 -5.436 9.534 -6.664 1.00 0.00 C ATOM 273 CG ARG A 19 -4.811 10.057 -7.955 1.00 0.00 C ATOM 274 CD ARG A 19 -5.535 11.326 -8.392 1.00 0.00 C ATOM 275 NE ARG A 19 -6.907 11.014 -8.775 1.00 0.00 N ATOM 276 CZ ARG A 19 -7.757 11.974 -9.127 1.00 0.00 C ATOM 277 NH1 ARG A 19 -8.978 11.667 -9.470 1.00 0.00 N ATOM 278 NH2 ARG A 19 -7.372 13.220 -9.128 1.00 0.00 N ATOM 0 H ARG A 19 -5.815 6.768 -7.219 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.645 8.466 -6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.496 9.330 -6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.366 10.288 -5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.752 10.264 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.877 9.300 -8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.532 12.053 -7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.010 11.783 -9.231 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.220 10.043 -8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.279 10.692 -9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.632 12.402 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.418 13.459 -8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.025 13.955 -9.398 1.00 0.00 H new ATOM 292 N LEU A 20 -4.697 8.345 -3.817 1.00 0.00 N ATOM 293 CA LEU A 20 -5.126 7.984 -2.463 1.00 0.00 C ATOM 294 C LEU A 20 -6.096 9.030 -1.922 1.00 0.00 C ATOM 295 O LEU A 20 -5.682 10.071 -1.413 1.00 0.00 O ATOM 296 CB LEU A 20 -3.898 7.897 -1.544 1.00 0.00 C ATOM 297 CG LEU A 20 -2.777 7.098 -2.228 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.617 6.924 -1.246 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.288 5.717 -2.669 1.00 0.00 C ATOM 0 H LEU A 20 -3.950 9.039 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.630 7.018 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.544 8.899 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.172 7.420 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.442 7.642 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.817 6.358 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.241 7.903 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.965 6.387 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.480 5.167 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.635 5.162 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.112 5.841 -3.372 1.00 0.00 H new ATOM 311 N ARG A 21 -7.392 8.739 -2.029 1.00 0.00 N ATOM 312 CA ARG A 21 -8.431 9.652 -1.542 1.00 0.00 C ATOM 313 C ARG A 21 -8.872 9.245 -0.146 1.00 0.00 C ATOM 314 O ARG A 21 -9.019 8.058 0.147 1.00 0.00 O ATOM 315 CB ARG A 21 -9.633 9.624 -2.483 1.00 0.00 C ATOM 316 CG ARG A 21 -9.202 10.126 -3.857 1.00 0.00 C ATOM 317 CD ARG A 21 -10.388 10.061 -4.817 1.00 0.00 C ATOM 318 NE ARG A 21 -11.442 10.966 -4.372 1.00 0.00 N ATOM 319 CZ ARG A 21 -12.633 10.980 -4.961 1.00 0.00 C ATOM 320 NH1 ARG A 21 -13.553 11.807 -4.546 1.00 0.00 N ATOM 321 NH2 ARG A 21 -12.884 10.167 -5.949 1.00 0.00 N ATOM 0 H ARG A 21 -7.749 7.880 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.021 10.661 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.027 8.611 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.434 10.249 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.835 11.150 -3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.380 9.519 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.067 10.331 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.770 9.041 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.261 11.600 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.357 12.441 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.468 11.820 -4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.165 9.519 -6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.799 10.179 -6.400 1.00 0.00 H new ATOM 335 N PHE A 22 -9.089 10.236 0.718 1.00 0.00 N ATOM 336 CA PHE A 22 -9.520 9.974 2.093 1.00 0.00 C ATOM 337 C PHE A 22 -11.034 10.132 2.209 1.00 0.00 C ATOM 338 O PHE A 22 -11.573 11.224 2.030 1.00 0.00 O ATOM 339 CB PHE A 22 -8.814 10.942 3.050 1.00 0.00 C ATOM 340 CG PHE A 22 -9.257 12.358 2.758 1.00 0.00 C ATOM 341 CD1 PHE A 22 -10.245 12.967 3.545 1.00 0.00 C ATOM 342 CD2 PHE A 22 -8.684 13.052 1.689 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.656 14.273 3.259 1.00 0.00 C ATOM 344 CE2 PHE A 22 -9.094 14.360 1.405 1.00 0.00 C ATOM 345 CZ PHE A 22 -10.080 14.970 2.190 1.00 0.00 C ATOM 0 H PHE A 22 -8.974 11.224 0.493 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.255 8.951 2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.047 10.683 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.733 10.858 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.688 12.429 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.925 12.580 1.082 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -11.418 14.744 3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -8.650 14.898 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 22 -10.397 15.979 1.971 1.00 0.00 H new ATOM 355 N ASP A 23 -11.720 9.032 2.509 1.00 0.00 N ATOM 356 CA ASP A 23 -13.177 9.054 2.654 1.00 0.00 C ATOM 357 C ASP A 23 -13.549 9.357 4.103 1.00 0.00 C ATOM 358 O ASP A 23 -13.575 8.464 4.949 1.00 0.00 O ATOM 359 CB ASP A 23 -13.760 7.696 2.234 1.00 0.00 C ATOM 360 CG ASP A 23 -13.681 7.523 0.716 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.312 8.474 0.046 1.00 0.00 O ATOM 362 OD2 ASP A 23 -14.002 6.445 0.249 1.00 0.00 O ATOM 0 H ASP A 23 -11.295 8.117 2.656 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.590 9.833 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.213 6.892 2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.797 7.623 2.560 1.00 0.00 H new ATOM 367 N GLU A 24 -13.833 10.625 4.377 1.00 0.00 N ATOM 368 CA GLU A 24 -14.201 11.041 5.723 1.00 0.00 C ATOM 369 C GLU A 24 -15.482 10.340 6.159 1.00 0.00 C ATOM 370 O GLU A 24 -15.660 10.019 7.333 1.00 0.00 O ATOM 371 CB GLU A 24 -14.398 12.558 5.762 1.00 0.00 C ATOM 372 CG GLU A 24 -14.630 13.015 7.206 1.00 0.00 C ATOM 373 CD GLU A 24 -14.741 14.536 7.264 1.00 0.00 C ATOM 374 OE1 GLU A 24 -14.368 15.179 6.296 1.00 0.00 O ATOM 375 OE2 GLU A 24 -15.198 15.036 8.278 1.00 0.00 O ATOM 0 H GLU A 24 -13.816 11.378 3.689 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.399 10.766 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.522 13.058 5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.248 12.839 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.540 12.561 7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.809 12.678 7.839 1.00 0.00 H new ATOM 382 N VAL A 25 -16.372 10.107 5.202 1.00 0.00 N ATOM 383 CA VAL A 25 -17.638 9.446 5.493 1.00 0.00 C ATOM 384 C VAL A 25 -17.392 8.017 5.986 1.00 0.00 C ATOM 385 O VAL A 25 -18.051 7.555 6.917 1.00 0.00 O ATOM 386 CB VAL A 25 -18.529 9.434 4.224 1.00 0.00 C ATOM 387 CG1 VAL A 25 -19.220 10.795 4.049 1.00 0.00 C ATOM 388 CG2 VAL A 25 -17.665 9.147 2.981 1.00 0.00 C ATOM 0 H VAL A 25 -16.242 10.364 4.224 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.152 9.997 6.280 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.284 8.656 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.843 10.775 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.842 11.002 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.466 11.576 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.297 9.140 2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.905 9.922 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.181 8.176 3.090 1.00 0.00 H new ATOM 398 N ARG A 26 -16.443 7.322 5.360 1.00 0.00 N ATOM 399 CA ARG A 26 -16.120 5.944 5.746 1.00 0.00 C ATOM 400 C ARG A 26 -15.131 5.934 6.914 1.00 0.00 C ATOM 401 O ARG A 26 -14.958 4.916 7.581 1.00 0.00 O ATOM 402 CB ARG A 26 -15.515 5.201 4.549 1.00 0.00 C ATOM 403 CG ARG A 26 -16.578 4.998 3.466 1.00 0.00 C ATOM 404 CD ARG A 26 -15.953 4.288 2.264 1.00 0.00 C ATOM 405 NE ARG A 26 -16.949 4.106 1.214 1.00 0.00 N ATOM 406 CZ ARG A 26 -16.620 3.580 0.037 1.00 0.00 C ATOM 407 NH1 ARG A 26 -17.528 3.440 -0.890 1.00 0.00 N ATOM 408 NH2 ARG A 26 -15.392 3.204 -0.191 1.00 0.00 N ATOM 0 H ARG A 26 -15.886 7.686 4.587 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.036 5.444 6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.676 5.768 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.122 4.236 4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.406 4.408 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.989 5.960 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -15.115 4.871 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.555 3.320 2.570 1.00 0.00 H new ATOM 0 HE ARG A 26 -17.915 4.387 1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.488 3.734 -0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.277 3.037 -1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.682 3.313 0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -15.141 2.801 -1.094 1.00 0.00 H new ATOM 422 N ASN A 27 -14.495 7.078 7.155 1.00 0.00 N ATOM 423 CA ASN A 27 -13.524 7.216 8.247 1.00 0.00 C ATOM 424 C ASN A 27 -12.228 6.463 7.921 1.00 0.00 C ATOM 425 O ASN A 27 -11.380 6.265 8.792 1.00 0.00 O ATOM 426 CB ASN A 27 -14.152 6.727 9.597 1.00 0.00 C ATOM 427 CG ASN A 27 -13.552 5.397 10.087 1.00 0.00 C ATOM 428 OD1 ASN A 27 -12.528 5.412 10.896 1.00 0.00 O flip ATOM 429 ND2 ASN A 27 -14.027 4.322 9.716 1.00 0.00 N flip ATOM 0 H ASN A 27 -14.633 7.928 6.609 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.269 8.270 8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.002 7.491 10.360 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -15.228 6.610 9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -14.827 4.309 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.620 3.445 10.041 1.00 0.00 H new ATOM 436 N LYS A 28 -12.076 6.056 6.665 1.00 0.00 N ATOM 437 CA LYS A 28 -10.877 5.332 6.233 1.00 0.00 C ATOM 438 C LYS A 28 -10.521 5.725 4.811 1.00 0.00 C ATOM 439 O LYS A 28 -11.349 6.253 4.073 1.00 0.00 O ATOM 440 CB LYS A 28 -11.110 3.816 6.309 1.00 0.00 C ATOM 441 CG LYS A 28 -12.452 3.470 5.666 1.00 0.00 C ATOM 442 CD LYS A 28 -12.630 1.950 5.631 1.00 0.00 C ATOM 443 CE LYS A 28 -13.999 1.612 5.043 1.00 0.00 C ATOM 444 NZ LYS A 28 -14.174 0.135 5.008 1.00 0.00 N ATOM 0 H LYS A 28 -12.763 6.213 5.928 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.053 5.594 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.304 3.288 5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.098 3.488 7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.265 3.928 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.497 3.875 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.842 1.494 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.543 1.539 6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.787 2.068 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.086 2.023 4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.844 -0.117 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.257 -0.319 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.544 -0.193 5.923 1.00 0.00 H new ATOM 458 N HIS A 29 -9.276 5.463 4.436 1.00 0.00 N ATOM 459 CA HIS A 29 -8.797 5.789 3.100 1.00 0.00 C ATOM 460 C HIS A 29 -9.104 4.653 2.149 1.00 0.00 C ATOM 461 O HIS A 29 -9.242 3.503 2.562 1.00 0.00 O ATOM 462 CB HIS A 29 -7.287 6.029 3.137 1.00 0.00 C ATOM 463 CG HIS A 29 -6.991 7.274 3.925 1.00 0.00 C ATOM 464 ND1 HIS A 29 -7.065 7.308 5.308 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.621 8.534 3.536 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.748 8.556 5.698 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.469 9.343 4.657 1.00 0.00 N ATOM 0 H HIS A 29 -8.579 5.025 5.039 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.300 6.692 2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.784 5.174 3.588 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.900 6.128 2.123 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.470 8.851 2.515 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.722 8.881 6.728 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -6.202 10.327 4.679 1.00 0.00 H new ATOM 475 N VAL A 30 -9.219 4.986 0.866 1.00 0.00 N ATOM 476 CA VAL A 30 -9.522 3.989 -0.162 1.00 0.00 C ATOM 477 C VAL A 30 -8.645 4.213 -1.381 1.00 0.00 C ATOM 478 O VAL A 30 -8.149 5.316 -1.606 1.00 0.00 O ATOM 479 CB VAL A 30 -10.995 4.096 -0.564 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.882 3.816 0.655 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.287 5.507 -1.092 1.00 0.00 C ATOM 0 H VAL A 30 -9.108 5.936 0.512 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.325 2.995 0.240 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.207 3.366 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.931 3.893 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.681 2.812 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.666 4.544 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.337 5.579 -1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.072 6.239 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.660 5.707 -1.961 1.00 0.00 H new ATOM 491 N LEU A 31 -8.462 3.159 -2.174 1.00 0.00 N ATOM 492 CA LEU A 31 -7.645 3.244 -3.386 1.00 0.00 C ATOM 493 C LEU A 31 -8.547 3.422 -4.601 1.00 0.00 C ATOM 494 O LEU A 31 -9.259 2.500 -4.997 1.00 0.00 O ATOM 495 CB LEU A 31 -6.816 1.951 -3.543 1.00 0.00 C ATOM 496 CG LEU A 31 -5.691 2.137 -4.603 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.429 2.728 -3.945 1.00 0.00 C ATOM 498 CD2 LEU A 31 -5.338 0.783 -5.238 1.00 0.00 C ATOM 0 H LEU A 31 -8.866 2.239 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.972 4.098 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.376 1.678 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.468 1.130 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.052 2.820 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.651 2.853 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.667 3.697 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.075 2.053 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.550 0.923 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.992 0.098 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.221 0.367 -5.722 1.00 0.00 H new ATOM 510 N LEU A 32 -8.506 4.609 -5.199 1.00 0.00 N ATOM 511 CA LEU A 32 -9.322 4.881 -6.378 1.00 0.00 C ATOM 512 C LEU A 32 -8.706 4.190 -7.583 1.00 0.00 C ATOM 513 O LEU A 32 -7.727 4.672 -8.154 1.00 0.00 O ATOM 514 CB LEU A 32 -9.398 6.398 -6.620 1.00 0.00 C ATOM 515 CG LEU A 32 -10.237 6.728 -7.877 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.671 6.165 -7.752 1.00 0.00 C ATOM 517 CD2 LEU A 32 -10.292 8.255 -8.051 1.00 0.00 C ATOM 0 H LEU A 32 -7.925 5.389 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.331 4.500 -6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.837 6.885 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.392 6.800 -6.737 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.768 6.266 -8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.238 6.412 -8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.628 5.082 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.160 6.604 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.881 8.500 -8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.753 8.705 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.281 8.644 -8.170 1.00 0.00 H new ATOM 529 N ALA A 33 -9.278 3.049 -7.964 1.00 0.00 N ATOM 530 CA ALA A 33 -8.773 2.283 -9.106 1.00 0.00 C ATOM 531 C ALA A 33 -9.550 2.660 -10.378 1.00 0.00 C ATOM 532 O ALA A 33 -10.754 2.910 -10.300 1.00 0.00 O ATOM 533 CB ALA A 33 -8.946 0.789 -8.832 1.00 0.00 C ATOM 0 H ALA A 33 -10.088 2.635 -7.502 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.717 2.512 -9.250 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.571 0.218 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.388 0.516 -7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.003 0.566 -8.683 1.00 0.00 H new ATOM 539 N PRO A 34 -8.925 2.700 -11.543 1.00 0.00 N ATOM 540 CA PRO A 34 -9.647 3.047 -12.805 1.00 0.00 C ATOM 541 C PRO A 34 -10.990 2.319 -12.926 1.00 0.00 C ATOM 542 O PRO A 34 -11.968 2.882 -13.415 1.00 0.00 O ATOM 543 CB PRO A 34 -8.678 2.589 -13.915 1.00 0.00 C ATOM 544 CG PRO A 34 -7.311 2.703 -13.307 1.00 0.00 C ATOM 545 CD PRO A 34 -7.485 2.444 -11.798 1.00 0.00 C ATOM 0 HA PRO A 34 -9.895 4.107 -12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.888 1.565 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.769 3.216 -14.802 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.627 1.979 -13.749 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.887 3.691 -13.485 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.211 1.422 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.853 3.106 -11.206 1.00 0.00 H new ATOM 553 N GLU A 35 -11.022 1.061 -12.495 1.00 0.00 N ATOM 554 CA GLU A 35 -12.242 0.264 -12.582 1.00 0.00 C ATOM 555 C GLU A 35 -13.280 0.743 -11.571 1.00 0.00 C ATOM 556 O GLU A 35 -14.459 0.875 -11.901 1.00 0.00 O ATOM 557 CB GLU A 35 -11.913 -1.209 -12.320 1.00 0.00 C ATOM 558 CG GLU A 35 -13.150 -2.077 -12.568 1.00 0.00 C ATOM 559 CD GLU A 35 -12.804 -3.553 -12.379 1.00 0.00 C ATOM 560 OE1 GLU A 35 -11.740 -3.831 -11.849 1.00 0.00 O ATOM 561 OE2 GLU A 35 -13.609 -4.382 -12.769 1.00 0.00 O ATOM 0 H GLU A 35 -10.224 0.575 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.657 0.378 -13.583 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.099 -1.529 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.570 -1.336 -11.293 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.947 -1.792 -11.881 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.524 -1.910 -13.578 1.00 0.00 H new ATOM 568 N ARG A 36 -12.839 1.001 -10.342 1.00 0.00 N ATOM 569 CA ARG A 36 -13.748 1.458 -9.292 1.00 0.00 C ATOM 570 C ARG A 36 -12.948 1.879 -8.047 1.00 0.00 C ATOM 571 O ARG A 36 -12.093 2.759 -8.120 1.00 0.00 O ATOM 572 CB ARG A 36 -14.745 0.330 -8.936 1.00 0.00 C ATOM 573 CG ARG A 36 -15.925 0.899 -8.129 1.00 0.00 C ATOM 574 CD ARG A 36 -16.785 -0.249 -7.596 1.00 0.00 C ATOM 575 NE ARG A 36 -16.041 -1.002 -6.594 1.00 0.00 N ATOM 576 CZ ARG A 36 -16.561 -2.081 -6.019 1.00 0.00 C ATOM 577 NH1 ARG A 36 -15.870 -2.741 -5.130 1.00 0.00 N ATOM 578 NH2 ARG A 36 -17.761 -2.479 -6.340 1.00 0.00 N ATOM 0 H ARG A 36 -11.867 0.903 -10.050 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.307 2.321 -9.653 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -15.112 -0.142 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.239 -0.443 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.554 1.504 -7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.526 1.555 -8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.703 0.145 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.077 -0.906 -8.415 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.105 -0.695 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.932 -2.428 -4.878 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.268 -3.570 -4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.301 -1.962 -7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.159 -3.308 -5.898 1.00 0.00 H new ATOM 592 N THR A 37 -13.240 1.250 -6.907 1.00 0.00 N ATOM 593 CA THR A 37 -12.567 1.557 -5.652 1.00 0.00 C ATOM 594 C THR A 37 -12.758 0.403 -4.677 1.00 0.00 C ATOM 595 O THR A 37 -13.739 -0.337 -4.768 1.00 0.00 O ATOM 596 CB THR A 37 -13.151 2.840 -5.049 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.016 3.903 -5.982 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.408 3.193 -3.760 1.00 0.00 C ATOM 0 H THR A 37 -13.946 0.518 -6.832 1.00 0.00 H new ATOM 0 HA THR A 37 -11.503 1.702 -5.841 1.00 0.00 H new ATOM 0 HB THR A 37 -14.206 2.684 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.343 3.665 -6.654 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.828 4.105 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.514 2.378 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.352 3.347 -3.980 1.00 0.00 H new ATOM 606 N PHE A 38 -11.811 0.246 -3.751 1.00 0.00 N ATOM 607 CA PHE A 38 -11.864 -0.834 -2.756 1.00 0.00 C ATOM 608 C PHE A 38 -11.743 -0.266 -1.347 1.00 0.00 C ATOM 609 O PHE A 38 -10.958 0.650 -1.101 1.00 0.00 O ATOM 610 CB PHE A 38 -10.714 -1.810 -3.014 1.00 0.00 C ATOM 611 CG PHE A 38 -10.934 -2.494 -4.349 1.00 0.00 C ATOM 612 CD1 PHE A 38 -10.461 -1.901 -5.526 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.613 -3.718 -4.410 1.00 0.00 C ATOM 614 CE1 PHE A 38 -10.667 -2.528 -6.759 1.00 0.00 C ATOM 615 CE2 PHE A 38 -11.819 -4.345 -5.644 1.00 0.00 C ATOM 616 CZ PHE A 38 -11.346 -3.750 -6.819 1.00 0.00 C ATOM 0 H PHE A 38 -10.995 0.853 -3.667 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.819 -1.352 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.763 -1.278 -3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.663 -2.551 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.936 -0.958 -5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.978 -4.178 -3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.302 -2.069 -7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.343 -5.288 -5.690 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.505 -4.234 -7.771 1.00 0.00 H new ATOM 626 N ASP A 39 -12.525 -0.819 -0.423 1.00 0.00 N ATOM 627 CA ASP A 39 -12.494 -0.362 0.962 1.00 0.00 C ATOM 628 C ASP A 39 -11.204 -0.819 1.629 1.00 0.00 C ATOM 629 O ASP A 39 -10.964 -2.017 1.784 1.00 0.00 O ATOM 630 CB ASP A 39 -13.693 -0.916 1.728 1.00 0.00 C ATOM 631 CG ASP A 39 -14.989 -0.365 1.138 1.00 0.00 C ATOM 632 OD1 ASP A 39 -14.931 0.670 0.495 1.00 0.00 O ATOM 633 OD2 ASP A 39 -16.018 -0.988 1.338 1.00 0.00 O ATOM 0 H ASP A 39 -13.182 -1.577 -0.606 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.540 0.727 0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.695 -2.005 1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.619 -0.645 2.781 1.00 0.00 H new ATOM 638 N LEU A 40 -10.370 0.148 2.013 1.00 0.00 N ATOM 639 CA LEU A 40 -9.081 -0.136 2.659 1.00 0.00 C ATOM 640 C LEU A 40 -8.953 0.665 3.946 1.00 0.00 C ATOM 641 O LEU A 40 -9.607 1.693 4.121 1.00 0.00 O ATOM 642 CB LEU A 40 -7.939 0.239 1.700 1.00 0.00 C ATOM 643 CG LEU A 40 -7.934 -0.709 0.464 1.00 0.00 C ATOM 644 CD1 LEU A 40 -7.292 0.003 -0.733 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.130 -1.987 0.761 1.00 0.00 C ATOM 0 H LEU A 40 -10.563 1.142 1.888 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.026 -1.198 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.055 1.272 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.983 0.174 2.220 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.966 -0.976 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.291 -0.664 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.862 0.902 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.267 0.278 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.140 -2.635 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.101 -1.721 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.579 -2.511 1.605 1.00 0.00 H new ATOM 657 N ASP A 41 -8.108 0.180 4.851 1.00 0.00 N ATOM 658 CA ASP A 41 -7.894 0.847 6.134 1.00 0.00 C ATOM 659 C ASP A 41 -6.848 1.948 5.984 1.00 0.00 C ATOM 660 O ASP A 41 -5.991 1.890 5.102 1.00 0.00 O ATOM 661 CB ASP A 41 -7.423 -0.178 7.171 1.00 0.00 C ATOM 662 CG ASP A 41 -8.544 -1.168 7.479 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.682 -0.867 7.153 1.00 0.00 O ATOM 664 OD2 ASP A 41 -8.248 -2.212 8.034 1.00 0.00 O ATOM 0 H ASP A 41 -7.561 -0.671 4.721 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.831 1.294 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.550 -0.711 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.117 0.332 8.084 1.00 0.00 H new ATOM 669 N ASP A 42 -6.930 2.953 6.848 1.00 0.00 N ATOM 670 CA ASP A 42 -5.992 4.067 6.799 1.00 0.00 C ATOM 671 C ASP A 42 -4.565 3.561 6.972 1.00 0.00 C ATOM 672 O ASP A 42 -3.635 4.071 6.349 1.00 0.00 O ATOM 673 CB ASP A 42 -6.320 5.076 7.904 1.00 0.00 C ATOM 674 CG ASP A 42 -5.390 6.285 7.814 1.00 0.00 C ATOM 675 OD1 ASP A 42 -4.470 6.249 7.013 1.00 0.00 O ATOM 676 OD2 ASP A 42 -5.615 7.232 8.549 1.00 0.00 O ATOM 0 H ASP A 42 -7.631 3.019 7.586 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.080 4.556 5.829 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.357 5.399 7.814 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.217 4.602 8.880 1.00 0.00 H new ATOM 681 N ASN A 43 -4.403 2.551 7.819 1.00 0.00 N ATOM 682 CA ASN A 43 -3.087 1.978 8.069 1.00 0.00 C ATOM 683 C ASN A 43 -2.530 1.351 6.792 1.00 0.00 C ATOM 684 O ASN A 43 -1.336 1.439 6.519 1.00 0.00 O ATOM 685 CB ASN A 43 -3.180 0.911 9.168 1.00 0.00 C ATOM 686 CG ASN A 43 -3.472 1.568 10.515 1.00 0.00 C ATOM 687 OD1 ASN A 43 -3.287 2.774 10.672 1.00 0.00 O ATOM 688 ND2 ASN A 43 -3.916 0.839 11.501 1.00 0.00 N ATOM 0 H ASN A 43 -5.162 2.114 8.341 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.417 2.774 8.394 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.966 0.196 8.926 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.246 0.352 9.222 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.111 1.269 12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.068 -0.161 11.368 1.00 0.00 H new ATOM 695 N ALA A 44 -3.402 0.712 6.019 1.00 0.00 N ATOM 696 CA ALA A 44 -2.977 0.065 4.781 1.00 0.00 C ATOM 697 C ALA A 44 -2.549 1.103 3.749 1.00 0.00 C ATOM 698 O ALA A 44 -1.561 0.911 3.038 1.00 0.00 O ATOM 699 CB ALA A 44 -4.127 -0.769 4.214 1.00 0.00 C ATOM 0 H ALA A 44 -4.398 0.628 6.224 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.127 -0.580 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.806 -1.250 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.416 -1.530 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.979 -0.121 4.009 1.00 0.00 H new ATOM 705 N VAL A 45 -3.291 2.205 3.670 1.00 0.00 N ATOM 706 CA VAL A 45 -2.971 3.270 2.719 1.00 0.00 C ATOM 707 C VAL A 45 -1.840 4.134 3.260 1.00 0.00 C ATOM 708 O VAL A 45 -1.079 4.727 2.496 1.00 0.00 O ATOM 709 CB VAL A 45 -4.205 4.141 2.474 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.879 5.216 1.429 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.356 3.265 1.969 1.00 0.00 C ATOM 0 H VAL A 45 -4.112 2.385 4.248 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.657 2.815 1.779 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.498 4.624 3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.760 5.835 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.062 5.840 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.583 4.738 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.235 3.885 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.063 2.780 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.590 2.506 2.715 1.00 0.00 H new ATOM 721 N ALA A 46 -1.738 4.207 4.583 1.00 0.00 N ATOM 722 CA ALA A 46 -0.698 5.010 5.211 1.00 0.00 C ATOM 723 C ALA A 46 0.680 4.553 4.744 1.00 0.00 C ATOM 724 O ALA A 46 1.551 5.372 4.472 1.00 0.00 O ATOM 725 CB ALA A 46 -0.791 4.887 6.735 1.00 0.00 C ATOM 0 H ALA A 46 -2.357 3.725 5.235 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.842 6.051 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.010 5.491 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.767 5.239 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.663 3.844 7.024 1.00 0.00 H new ATOM 731 N VAL A 47 0.866 3.241 4.654 1.00 0.00 N ATOM 732 CA VAL A 47 2.143 2.687 4.217 1.00 0.00 C ATOM 733 C VAL A 47 2.469 3.150 2.800 1.00 0.00 C ATOM 734 O VAL A 47 3.586 3.581 2.520 1.00 0.00 O ATOM 735 CB VAL A 47 2.069 1.152 4.260 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.371 0.533 3.726 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.837 0.697 5.706 1.00 0.00 C ATOM 0 H VAL A 47 0.154 2.545 4.876 1.00 0.00 H new ATOM 0 HA VAL A 47 2.931 3.037 4.884 1.00 0.00 H new ATOM 0 HB VAL A 47 1.244 0.820 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.300 -0.554 3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.529 0.850 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.209 0.863 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.784 -0.391 5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.661 1.040 6.332 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.901 1.118 6.074 1.00 0.00 H new ATOM 747 N LEU A 48 1.485 3.048 1.914 1.00 0.00 N ATOM 748 CA LEU A 48 1.669 3.448 0.523 1.00 0.00 C ATOM 749 C LEU A 48 1.794 4.966 0.428 1.00 0.00 C ATOM 750 O LEU A 48 2.464 5.493 -0.459 1.00 0.00 O ATOM 751 CB LEU A 48 0.482 2.967 -0.317 1.00 0.00 C ATOM 752 CG LEU A 48 0.214 1.475 -0.052 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.955 1.011 -0.929 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.469 0.629 -0.360 1.00 0.00 C ATOM 0 H LEU A 48 0.554 2.693 2.133 1.00 0.00 H new ATOM 0 HA LEU A 48 2.583 2.994 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.405 3.552 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.689 3.125 -1.376 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.036 1.342 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.150 -0.046 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.845 1.592 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.702 1.157 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.256 -0.422 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.745 0.756 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.293 0.956 0.275 1.00 0.00 H new ATOM 766 N LYS A 49 1.134 5.663 1.347 1.00 0.00 N ATOM 767 CA LYS A 49 1.167 7.125 1.369 1.00 0.00 C ATOM 768 C LYS A 49 2.428 7.627 2.078 1.00 0.00 C ATOM 769 O LYS A 49 2.926 8.711 1.777 1.00 0.00 O ATOM 770 CB LYS A 49 -0.076 7.652 2.090 1.00 0.00 C ATOM 771 CG LYS A 49 -0.173 9.175 1.915 1.00 0.00 C ATOM 772 CD LYS A 49 -1.445 9.722 2.598 1.00 0.00 C ATOM 773 CE LYS A 49 -2.708 9.355 1.798 1.00 0.00 C ATOM 774 NZ LYS A 49 -3.848 10.190 2.270 1.00 0.00 N ATOM 0 H LYS A 49 0.570 5.242 2.086 1.00 0.00 H new ATOM 0 HA LYS A 49 1.179 7.491 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.970 7.173 1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.027 7.401 3.150 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.709 9.652 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.188 9.424 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.521 9.319 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.373 10.806 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.539 9.518 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.939 8.297 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.704 9.945 1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.013 10.013 3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.625 11.196 2.126 1.00 0.00 H new ATOM 788 N LEU A 50 2.933 6.841 3.031 1.00 0.00 N ATOM 789 CA LEU A 50 4.125 7.238 3.782 1.00 0.00 C ATOM 790 C LEU A 50 5.370 7.134 2.909 1.00 0.00 C ATOM 791 O LEU A 50 6.307 7.920 3.058 1.00 0.00 O ATOM 792 CB LEU A 50 4.281 6.317 5.007 1.00 0.00 C ATOM 793 CG LEU A 50 5.501 6.711 5.868 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.322 8.126 6.460 1.00 0.00 C ATOM 795 CD2 LEU A 50 5.646 5.688 7.005 1.00 0.00 C ATOM 0 H LEU A 50 2.541 5.938 3.298 1.00 0.00 H new ATOM 0 HA LEU A 50 4.010 8.273 4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.377 6.363 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.389 5.285 4.674 1.00 0.00 H new ATOM 0 HG LEU A 50 6.395 6.716 5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.194 8.381 7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.216 8.848 5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.430 8.149 7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.504 5.951 7.624 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.743 5.692 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.794 4.694 6.583 1.00 0.00 H new ATOM 807 N VAL A 51 5.378 6.168 1.992 1.00 0.00 N ATOM 808 CA VAL A 51 6.520 5.982 1.095 1.00 0.00 C ATOM 809 C VAL A 51 6.477 6.995 -0.046 1.00 0.00 C ATOM 810 O VAL A 51 5.464 7.137 -0.728 1.00 0.00 O ATOM 811 CB VAL A 51 6.549 4.548 0.540 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.236 4.232 -0.182 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.729 4.389 -0.436 1.00 0.00 C ATOM 0 H VAL A 51 4.614 5.507 1.850 1.00 0.00 H new ATOM 0 HA VAL A 51 7.433 6.146 1.668 1.00 0.00 H new ATOM 0 HB VAL A 51 6.672 3.853 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.270 3.214 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.405 4.327 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.097 4.930 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.744 3.371 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.616 5.092 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.664 4.591 0.087 1.00 0.00 H new ATOM 823 N ASP A 52 7.588 7.694 -0.251 1.00 0.00 N ATOM 824 CA ASP A 52 7.676 8.682 -1.320 1.00 0.00 C ATOM 825 C ASP A 52 7.849 7.976 -2.661 1.00 0.00 C ATOM 826 O ASP A 52 6.874 7.690 -3.356 1.00 0.00 O ATOM 827 CB ASP A 52 8.861 9.617 -1.062 1.00 0.00 C ATOM 828 CG ASP A 52 8.586 10.490 0.161 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.446 10.532 0.595 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.520 11.106 0.644 1.00 0.00 O ATOM 0 H ASP A 52 8.437 7.596 0.306 1.00 0.00 H new ATOM 0 HA ASP A 52 6.758 9.270 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.767 9.033 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.035 10.246 -1.935 1.00 0.00 H new ATOM 835 N GLY A 53 9.102 7.684 -3.012 1.00 0.00 N ATOM 836 CA GLY A 53 9.414 6.994 -4.266 1.00 0.00 C ATOM 837 C GLY A 53 9.385 5.484 -4.061 1.00 0.00 C ATOM 838 O GLY A 53 8.346 4.914 -3.728 1.00 0.00 O ATOM 0 H GLY A 53 9.918 7.914 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.694 7.277 -5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.397 7.301 -4.623 1.00 0.00 H new ATOM 842 N ARG A 54 10.540 4.841 -4.257 1.00 0.00 N ATOM 843 CA ARG A 54 10.662 3.385 -4.090 1.00 0.00 C ATOM 844 C ARG A 54 11.526 3.062 -2.873 1.00 0.00 C ATOM 845 O ARG A 54 12.750 3.183 -2.919 1.00 0.00 O ATOM 846 CB ARG A 54 11.313 2.796 -5.349 1.00 0.00 C ATOM 847 CG ARG A 54 10.338 2.895 -6.524 1.00 0.00 C ATOM 848 CD ARG A 54 10.977 2.289 -7.774 1.00 0.00 C ATOM 849 NE ARG A 54 12.118 3.094 -8.197 1.00 0.00 N ATOM 850 CZ ARG A 54 11.949 4.284 -8.767 1.00 0.00 C ATOM 851 NH1 ARG A 54 12.987 4.985 -9.134 1.00 0.00 N ATOM 852 NH2 ARG A 54 10.745 4.752 -8.958 1.00 0.00 N ATOM 0 H ARG A 54 11.406 5.304 -4.532 1.00 0.00 H new ATOM 0 HA ARG A 54 9.672 2.954 -3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.233 3.333 -5.580 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.586 1.755 -5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.412 2.371 -6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.077 3.937 -6.706 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.299 1.268 -7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.242 2.236 -8.577 1.00 0.00 H new ATOM 0 HE ARG A 54 13.063 2.738 -8.053 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.928 4.620 -8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.858 5.897 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.934 4.205 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.616 5.665 -9.395 1.00 0.00 H new ATOM 866 N ASN A 55 10.874 2.626 -1.791 1.00 0.00 N ATOM 867 CA ASN A 55 11.568 2.252 -0.549 1.00 0.00 C ATOM 868 C ASN A 55 11.355 0.773 -0.256 1.00 0.00 C ATOM 869 O ASN A 55 10.317 0.208 -0.603 1.00 0.00 O ATOM 870 CB ASN A 55 11.040 3.087 0.621 1.00 0.00 C ATOM 871 CG ASN A 55 11.426 4.551 0.425 1.00 0.00 C ATOM 872 OD1 ASN A 55 12.364 4.851 -0.314 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.756 5.483 1.044 1.00 0.00 N ATOM 0 H ASN A 55 9.860 2.522 -1.748 1.00 0.00 H new ATOM 0 HA ASN A 55 12.634 2.443 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.956 2.993 0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.451 2.715 1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.009 6.463 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.979 5.232 1.656 1.00 0.00 H new ATOM 880 N THR A 56 12.330 0.151 0.400 1.00 0.00 N ATOM 881 CA THR A 56 12.221 -1.262 0.755 1.00 0.00 C ATOM 882 C THR A 56 11.360 -1.414 2.004 1.00 0.00 C ATOM 883 O THR A 56 11.332 -0.529 2.859 1.00 0.00 O ATOM 884 CB THR A 56 13.612 -1.842 1.015 1.00 0.00 C ATOM 885 OG1 THR A 56 14.168 -1.233 2.171 1.00 0.00 O ATOM 886 CG2 THR A 56 14.513 -1.569 -0.191 1.00 0.00 C ATOM 0 H THR A 56 13.198 0.598 0.695 1.00 0.00 H new ATOM 0 HA THR A 56 11.757 -1.802 -0.070 1.00 0.00 H new ATOM 0 HB THR A 56 13.535 -2.918 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.059 -1.605 2.340 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.504 -1.982 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.085 -2.036 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.592 -0.494 -0.350 1.00 0.00 H new ATOM 894 N VAL A 57 10.656 -2.533 2.104 1.00 0.00 N ATOM 895 CA VAL A 57 9.796 -2.780 3.254 1.00 0.00 C ATOM 896 C VAL A 57 10.593 -2.668 4.547 1.00 0.00 C ATOM 897 O VAL A 57 10.096 -2.163 5.553 1.00 0.00 O ATOM 898 CB VAL A 57 9.168 -4.171 3.145 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.359 -4.254 1.848 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.268 -5.241 3.134 1.00 0.00 C ATOM 0 H VAL A 57 10.662 -3.279 1.409 1.00 0.00 H new ATOM 0 HA VAL A 57 9.005 -2.030 3.267 1.00 0.00 H new ATOM 0 HB VAL A 57 8.514 -4.343 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.908 -5.243 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.575 -3.497 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.017 -4.081 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.814 -6.229 3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.927 -5.076 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.845 -5.179 4.056 1.00 0.00 H new ATOM 910 N SER A 58 11.831 -3.143 4.510 1.00 0.00 N ATOM 911 CA SER A 58 12.691 -3.090 5.682 1.00 0.00 C ATOM 912 C SER A 58 12.863 -1.649 6.160 1.00 0.00 C ATOM 913 O SER A 58 12.782 -1.372 7.353 1.00 0.00 O ATOM 914 CB SER A 58 14.057 -3.701 5.353 1.00 0.00 C ATOM 915 OG SER A 58 14.748 -3.983 6.564 1.00 0.00 O ATOM 0 H SER A 58 12.259 -3.566 3.687 1.00 0.00 H new ATOM 0 HA SER A 58 12.224 -3.664 6.482 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.930 -4.614 4.772 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.639 -3.012 4.740 1.00 0.00 H new ATOM 0 HG SER A 58 15.622 -4.376 6.358 1.00 0.00 H new ATOM 921 N GLN A 59 13.104 -0.738 5.222 1.00 0.00 N ATOM 922 CA GLN A 59 13.292 0.669 5.566 1.00 0.00 C ATOM 923 C GLN A 59 12.013 1.256 6.155 1.00 0.00 C ATOM 924 O GLN A 59 12.037 1.889 7.210 1.00 0.00 O ATOM 925 CB GLN A 59 13.688 1.457 4.315 1.00 0.00 C ATOM 926 CG GLN A 59 14.040 2.899 4.695 1.00 0.00 C ATOM 927 CD GLN A 59 14.510 3.659 3.460 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.754 3.813 2.501 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.719 4.144 3.426 1.00 0.00 N ATOM 0 H GLN A 59 13.173 -0.945 4.226 1.00 0.00 H new ATOM 0 HA GLN A 59 14.084 0.740 6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.540 0.981 3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.868 1.451 3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.170 3.393 5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.821 2.904 5.455 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.343 4.015 4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.041 4.653 2.603 1.00 0.00 H new ATOM 938 N ILE A 60 10.898 1.038 5.469 1.00 0.00 N ATOM 939 CA ILE A 60 9.613 1.546 5.932 1.00 0.00 C ATOM 940 C ILE A 60 9.276 0.946 7.288 1.00 0.00 C ATOM 941 O ILE A 60 8.784 1.636 8.181 1.00 0.00 O ATOM 942 CB ILE A 60 8.506 1.212 4.923 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.891 1.760 3.538 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.188 1.854 5.385 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.912 1.237 2.482 1.00 0.00 C ATOM 0 H ILE A 60 10.857 0.515 4.594 1.00 0.00 H new ATOM 0 HA ILE A 60 9.682 2.630 6.026 1.00 0.00 H new ATOM 0 HB ILE A 60 8.382 0.131 4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.877 2.850 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.907 1.457 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.399 1.619 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.917 1.464 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.312 2.935 5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.189 1.628 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.947 0.148 2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.902 1.562 2.730 1.00 0.00 H new ATOM 957 N ALA A 61 9.534 -0.348 7.429 1.00 0.00 N ATOM 958 CA ALA A 61 9.249 -1.047 8.674 1.00 0.00 C ATOM 959 C ALA A 61 9.854 -0.312 9.865 1.00 0.00 C ATOM 960 O ALA A 61 9.235 -0.219 10.923 1.00 0.00 O ATOM 961 CB ALA A 61 9.809 -2.467 8.610 1.00 0.00 C ATOM 0 H ALA A 61 9.939 -0.933 6.698 1.00 0.00 H new ATOM 0 HA ALA A 61 8.167 -1.084 8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.593 -2.986 9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.346 -3.004 7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.888 -2.426 8.459 1.00 0.00 H new ATOM 967 N GLN A 62 11.059 0.215 9.688 1.00 0.00 N ATOM 968 CA GLN A 62 11.717 0.946 10.764 1.00 0.00 C ATOM 969 C GLN A 62 10.910 2.190 11.124 1.00 0.00 C ATOM 970 O GLN A 62 10.664 2.462 12.297 1.00 0.00 O ATOM 971 CB GLN A 62 13.127 1.365 10.334 1.00 0.00 C ATOM 972 CG GLN A 62 14.008 0.130 10.119 1.00 0.00 C ATOM 973 CD GLN A 62 14.289 -0.567 11.445 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.492 0.093 12.465 1.00 0.00 O ATOM 975 NE2 GLN A 62 14.324 -1.870 11.488 1.00 0.00 N ATOM 0 H GLN A 62 11.595 0.152 8.822 1.00 0.00 H new ATOM 0 HA GLN A 62 11.784 0.293 11.634 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.076 1.948 9.414 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.570 2.008 11.094 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.514 -0.561 9.436 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.947 0.424 9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.155 -2.413 10.641 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.520 -2.346 12.369 1.00 0.00 H new ATOM 984 N ILE A 63 10.508 2.948 10.109 1.00 0.00 N ATOM 985 CA ILE A 63 9.741 4.169 10.342 1.00 0.00 C ATOM 986 C ILE A 63 8.384 3.842 10.956 1.00 0.00 C ATOM 987 O ILE A 63 7.978 4.452 11.947 1.00 0.00 O ATOM 988 CB ILE A 63 9.532 4.921 9.018 1.00 0.00 C ATOM 989 CG1 ILE A 63 10.896 5.212 8.368 1.00 0.00 C ATOM 990 CG2 ILE A 63 8.801 6.245 9.290 1.00 0.00 C ATOM 991 CD1 ILE A 63 10.693 5.749 6.947 1.00 0.00 C ATOM 0 H ILE A 63 10.697 2.743 9.128 1.00 0.00 H new ATOM 0 HA ILE A 63 10.302 4.797 11.034 1.00 0.00 H new ATOM 0 HB ILE A 63 8.934 4.307 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.446 5.939 8.966 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.497 4.303 8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.653 6.778 8.351 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.833 6.039 9.747 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.398 6.858 9.965 1.00 0.00 H new ATOM 0 HD11 ILE A 63 11.663 5.953 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.162 5.008 6.350 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.110 6.669 6.986 1.00 0.00 H new ATOM 1003 N LEU A 64 7.680 2.887 10.357 1.00 0.00 N ATOM 1004 CA LEU A 64 6.359 2.501 10.849 1.00 0.00 C ATOM 1005 C LEU A 64 6.476 1.802 12.203 1.00 0.00 C ATOM 1006 O LEU A 64 5.635 1.980 13.082 1.00 0.00 O ATOM 1007 CB LEU A 64 5.665 1.575 9.836 1.00 0.00 C ATOM 1008 CG LEU A 64 4.171 1.393 10.204 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.388 2.722 10.013 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.557 0.276 9.328 1.00 0.00 C ATOM 0 H LEU A 64 7.997 2.369 9.537 1.00 0.00 H new ATOM 0 HA LEU A 64 5.759 3.403 10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.750 1.994 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.163 0.605 9.820 1.00 0.00 H new ATOM 0 HG LEU A 64 4.099 1.109 11.254 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.342 2.569 10.278 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.816 3.492 10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.457 3.038 8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.506 0.147 9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.641 0.551 8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.091 -0.658 9.503 1.00 0.00 H new ATOM 1022 N GLY A 65 7.518 0.994 12.356 1.00 0.00 N ATOM 1023 CA GLY A 65 7.726 0.259 13.597 1.00 0.00 C ATOM 1024 C GLY A 65 7.782 1.203 14.794 1.00 0.00 C ATOM 1025 O GLY A 65 7.214 0.916 15.847 1.00 0.00 O ATOM 0 H GLY A 65 8.228 0.832 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.920 -0.461 13.736 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.654 -0.309 13.535 1.00 0.00 H new ATOM 1029 N GLN A 66 8.465 2.329 14.625 1.00 0.00 N ATOM 1030 CA GLN A 66 8.582 3.307 15.701 1.00 0.00 C ATOM 1031 C GLN A 66 7.220 3.927 16.012 1.00 0.00 C ATOM 1032 O GLN A 66 6.942 4.289 17.155 1.00 0.00 O ATOM 1033 CB GLN A 66 9.575 4.409 15.304 1.00 0.00 C ATOM 1034 CG GLN A 66 10.994 3.834 15.258 1.00 0.00 C ATOM 1035 CD GLN A 66 11.966 4.891 14.745 1.00 0.00 C ATOM 1036 OE1 GLN A 66 11.571 6.031 14.499 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.220 4.580 14.564 1.00 0.00 N ATOM 0 H GLN A 66 8.943 2.587 13.761 1.00 0.00 H new ATOM 0 HA GLN A 66 8.947 2.798 16.593 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.307 4.820 14.331 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.528 5.229 16.020 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.294 3.503 16.252 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.020 2.958 14.610 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.546 3.635 14.768 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.875 5.282 14.218 1.00 0.00 H new ATOM 1046 N THR A 67 6.376 4.048 14.991 1.00 0.00 N ATOM 1047 CA THR A 67 5.052 4.632 15.180 1.00 0.00 C ATOM 1048 C THR A 67 4.229 3.785 16.147 1.00 0.00 C ATOM 1049 O THR A 67 3.641 4.305 17.094 1.00 0.00 O ATOM 1050 CB THR A 67 4.326 4.731 13.832 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.179 5.352 12.882 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.047 5.556 13.990 1.00 0.00 C ATOM 0 H THR A 67 6.581 3.754 14.036 1.00 0.00 H new ATOM 0 HA THR A 67 5.170 5.631 15.600 1.00 0.00 H new ATOM 0 HB THR A 67 4.065 3.730 13.489 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.718 5.415 12.020 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.536 5.623 13.029 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.392 5.076 14.717 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.301 6.558 14.336 1.00 0.00 H new ATOM 1060 N TYR A 68 4.198 2.472 15.906 1.00 0.00 N ATOM 1061 CA TYR A 68 3.451 1.545 16.767 1.00 0.00 C ATOM 1062 C TYR A 68 4.370 0.933 17.819 1.00 0.00 C ATOM 1063 O TYR A 68 3.930 0.141 18.653 1.00 0.00 O ATOM 1064 CB TYR A 68 2.829 0.431 15.917 1.00 0.00 C ATOM 1065 CG TYR A 68 1.768 1.019 15.007 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.123 1.536 13.755 1.00 0.00 C ATOM 1067 CD2 TYR A 68 0.428 1.052 15.421 1.00 0.00 C ATOM 1068 CE1 TYR A 68 1.141 2.083 12.920 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.551 1.598 14.585 1.00 0.00 C ATOM 1070 CZ TYR A 68 -0.194 2.114 13.335 1.00 0.00 C ATOM 1071 OH TYR A 68 -1.160 2.652 12.509 1.00 0.00 O ATOM 0 H TYR A 68 4.679 2.026 15.125 1.00 0.00 H new ATOM 0 HA TYR A 68 2.661 2.102 17.272 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.600 -0.061 15.324 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.389 -0.330 16.562 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.154 1.513 13.434 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.152 0.655 16.387 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.415 2.481 11.954 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.582 1.621 14.904 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.034 2.595 12.948 1.00 0.00 H new ATOM 1081 N ASP A 69 5.647 1.304 17.780 1.00 0.00 N ATOM 1082 CA ASP A 69 6.613 0.781 18.742 1.00 0.00 C ATOM 1083 C ASP A 69 6.568 -0.745 18.782 1.00 0.00 C ATOM 1084 O ASP A 69 6.254 -1.339 19.814 1.00 0.00 O ATOM 1085 CB ASP A 69 6.313 1.341 20.136 1.00 0.00 C ATOM 1086 CG ASP A 69 7.444 0.989 21.101 1.00 0.00 C ATOM 1087 OD1 ASP A 69 8.493 0.577 20.632 1.00 0.00 O ATOM 1088 OD2 ASP A 69 7.242 1.133 22.295 1.00 0.00 O ATOM 0 H ASP A 69 6.034 1.958 17.100 1.00 0.00 H new ATOM 0 HA ASP A 69 7.610 1.091 18.430 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.194 2.423 20.083 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.371 0.934 20.504 1.00 0.00 H new ATOM 1093 N ALA A 70 6.882 -1.374 17.648 1.00 0.00 N ATOM 1094 CA ALA A 70 6.875 -2.838 17.544 1.00 0.00 C ATOM 1095 C ALA A 70 8.034 -3.310 16.674 1.00 0.00 C ATOM 1096 O ALA A 70 8.622 -2.522 15.932 1.00 0.00 O ATOM 1097 CB ALA A 70 5.551 -3.308 16.935 1.00 0.00 C ATOM 0 H ALA A 70 7.145 -0.894 16.787 1.00 0.00 H new ATOM 0 HA ALA A 70 6.986 -3.262 18.542 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.551 -4.395 16.860 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.725 -2.988 17.570 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.434 -2.876 15.941 1.00 0.00 H new ATOM 1103 N ASP A 71 8.359 -4.596 16.771 1.00 0.00 N ATOM 1104 CA ASP A 71 9.457 -5.155 15.989 1.00 0.00 C ATOM 1105 C ASP A 71 9.237 -4.891 14.485 1.00 0.00 C ATOM 1106 O ASP A 71 8.302 -5.440 13.902 1.00 0.00 O ATOM 1107 CB ASP A 71 9.535 -6.665 16.228 1.00 0.00 C ATOM 1108 CG ASP A 71 9.810 -6.947 17.703 1.00 0.00 C ATOM 1109 OD1 ASP A 71 10.228 -6.033 18.397 1.00 0.00 O ATOM 1110 OD2 ASP A 71 9.597 -8.074 18.117 1.00 0.00 O ATOM 0 H ASP A 71 7.883 -5.265 17.377 1.00 0.00 H new ATOM 0 HA ASP A 71 10.387 -4.679 16.301 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.600 -7.138 15.927 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.324 -7.098 15.613 1.00 0.00 H new ATOM 1115 N PRO A 72 10.056 -4.076 13.833 1.00 0.00 N ATOM 1116 CA PRO A 72 9.886 -3.786 12.371 1.00 0.00 C ATOM 1117 C PRO A 72 9.721 -5.057 11.532 1.00 0.00 C ATOM 1118 O PRO A 72 8.972 -5.073 10.558 1.00 0.00 O ATOM 1119 CB PRO A 72 11.188 -3.044 11.995 1.00 0.00 C ATOM 1120 CG PRO A 72 11.619 -2.379 13.264 1.00 0.00 C ATOM 1121 CD PRO A 72 11.211 -3.335 14.391 1.00 0.00 C ATOM 0 HA PRO A 72 8.983 -3.208 12.176 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.948 -3.735 11.631 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.015 -2.315 11.203 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.695 -2.204 13.269 1.00 0.00 H new ATOM 0 HG3 PRO A 72 11.138 -1.408 13.380 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.026 -4.008 14.658 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.937 -2.792 15.295 1.00 0.00 H new ATOM 1129 N ALA A 73 10.426 -6.116 11.905 1.00 0.00 N ATOM 1130 CA ALA A 73 10.348 -7.368 11.159 1.00 0.00 C ATOM 1131 C ALA A 73 8.897 -7.820 10.993 1.00 0.00 C ATOM 1132 O ALA A 73 8.524 -8.364 9.953 1.00 0.00 O ATOM 1133 CB ALA A 73 11.139 -8.453 11.884 1.00 0.00 C ATOM 0 H ALA A 73 11.052 -6.136 12.710 1.00 0.00 H new ATOM 0 HA ALA A 73 10.773 -7.200 10.170 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.077 -9.385 11.322 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.182 -8.148 11.968 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.724 -8.602 12.881 1.00 0.00 H new ATOM 1139 N ILE A 74 8.087 -7.600 12.023 1.00 0.00 N ATOM 1140 CA ILE A 74 6.681 -7.994 11.980 1.00 0.00 C ATOM 1141 C ILE A 74 5.923 -7.163 10.951 1.00 0.00 C ATOM 1142 O ILE A 74 5.081 -7.685 10.220 1.00 0.00 O ATOM 1143 CB ILE A 74 6.032 -7.827 13.368 1.00 0.00 C ATOM 1144 CG1 ILE A 74 6.701 -8.798 14.356 1.00 0.00 C ATOM 1145 CG2 ILE A 74 4.521 -8.146 13.286 1.00 0.00 C ATOM 1146 CD1 ILE A 74 6.225 -8.521 15.790 1.00 0.00 C ATOM 0 H ILE A 74 8.376 -7.154 12.893 1.00 0.00 H new ATOM 0 HA ILE A 74 6.631 -9.044 11.690 1.00 0.00 H new ATOM 0 HB ILE A 74 6.164 -6.799 13.706 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.465 -9.826 14.081 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.785 -8.694 14.300 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.070 -8.026 14.271 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.043 -7.465 12.582 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.384 -9.173 12.947 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.709 -9.217 16.475 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.484 -7.499 16.068 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.144 -8.649 15.846 1.00 0.00 H new ATOM 1158 N ILE A 75 6.199 -5.864 10.918 1.00 0.00 N ATOM 1159 CA ILE A 75 5.503 -4.974 9.993 1.00 0.00 C ATOM 1160 C ILE A 75 5.652 -5.492 8.562 1.00 0.00 C ATOM 1161 O ILE A 75 4.766 -5.296 7.737 1.00 0.00 O ATOM 1162 CB ILE A 75 6.068 -3.532 10.122 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.475 -2.845 11.371 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.720 -2.684 8.877 1.00 0.00 C ATOM 1165 CD1 ILE A 75 5.790 -3.658 12.634 1.00 0.00 C ATOM 0 H ILE A 75 6.891 -5.407 11.512 1.00 0.00 H new ATOM 0 HA ILE A 75 4.442 -4.951 10.241 1.00 0.00 H new ATOM 0 HB ILE A 75 7.152 -3.605 10.210 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.883 -1.839 11.468 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.396 -2.741 11.258 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.128 -1.680 8.995 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.149 -3.148 7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.637 -2.625 8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.364 -3.158 13.504 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.360 -4.655 12.542 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.870 -3.739 12.755 1.00 0.00 H new ATOM 1177 N GLU A 76 6.771 -6.138 8.272 1.00 0.00 N ATOM 1178 CA GLU A 76 6.997 -6.655 6.926 1.00 0.00 C ATOM 1179 C GLU A 76 5.938 -7.688 6.569 1.00 0.00 C ATOM 1180 O GLU A 76 5.212 -7.528 5.596 1.00 0.00 O ATOM 1181 CB GLU A 76 8.393 -7.297 6.822 1.00 0.00 C ATOM 1182 CG GLU A 76 9.407 -6.434 7.566 1.00 0.00 C ATOM 1183 CD GLU A 76 10.826 -6.947 7.329 1.00 0.00 C ATOM 1184 OE1 GLU A 76 10.987 -7.839 6.512 1.00 0.00 O ATOM 1185 OE2 GLU A 76 11.729 -6.439 7.972 1.00 0.00 O ATOM 0 H GLU A 76 7.526 -6.316 8.935 1.00 0.00 H new ATOM 0 HA GLU A 76 6.934 -5.820 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.375 -8.302 7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.682 -7.396 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.328 -5.400 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.185 -6.441 8.633 1.00 0.00 H new ATOM 1192 N ALA A 77 5.863 -8.745 7.369 1.00 0.00 N ATOM 1193 CA ALA A 77 4.902 -9.813 7.131 1.00 0.00 C ATOM 1194 C ALA A 77 3.477 -9.270 7.078 1.00 0.00 C ATOM 1195 O ALA A 77 2.580 -9.919 6.544 1.00 0.00 O ATOM 1196 CB ALA A 77 5.012 -10.868 8.234 1.00 0.00 C ATOM 0 H ALA A 77 6.456 -8.885 8.187 1.00 0.00 H new ATOM 0 HA ALA A 77 5.131 -10.267 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.290 -11.664 8.050 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.019 -11.285 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.805 -10.407 9.200 1.00 0.00 H new ATOM 1202 N ASP A 78 3.271 -8.081 7.644 1.00 0.00 N ATOM 1203 CA ASP A 78 1.942 -7.467 7.653 1.00 0.00 C ATOM 1204 C ASP A 78 1.629 -6.829 6.297 1.00 0.00 C ATOM 1205 O ASP A 78 0.610 -7.140 5.679 1.00 0.00 O ATOM 1206 CB ASP A 78 1.871 -6.406 8.757 1.00 0.00 C ATOM 1207 CG ASP A 78 0.442 -5.887 8.907 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.388 -6.234 8.082 1.00 0.00 O ATOM 1209 OD2 ASP A 78 0.198 -5.151 9.850 1.00 0.00 O ATOM 0 H ASP A 78 3.998 -7.528 8.098 1.00 0.00 H new ATOM 0 HA ASP A 78 1.202 -8.244 7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.211 -6.831 9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.541 -5.580 8.520 1.00 0.00 H new ATOM 1214 N ILE A 79 2.505 -5.926 5.842 1.00 0.00 N ATOM 1215 CA ILE A 79 2.304 -5.241 4.559 1.00 0.00 C ATOM 1216 C ILE A 79 2.672 -6.138 3.374 1.00 0.00 C ATOM 1217 O ILE A 79 2.076 -6.039 2.305 1.00 0.00 O ATOM 1218 CB ILE A 79 3.123 -3.939 4.529 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.633 -4.253 4.547 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.752 -3.100 5.761 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.440 -2.948 4.560 1.00 0.00 C ATOM 0 H ILE A 79 3.354 -5.654 6.338 1.00 0.00 H new ATOM 0 HA ILE A 79 1.245 -5.001 4.465 1.00 0.00 H new ATOM 0 HB ILE A 79 2.898 -3.387 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.878 -4.851 5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.900 -4.847 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.324 -2.172 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.687 -2.869 5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.981 -3.662 6.666 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.505 -3.179 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.205 -2.366 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.183 -2.370 5.448 1.00 0.00 H new ATOM 1233 N LEU A 80 3.657 -7.015 3.566 1.00 0.00 N ATOM 1234 CA LEU A 80 4.090 -7.924 2.497 1.00 0.00 C ATOM 1235 C LEU A 80 2.876 -8.558 1.782 1.00 0.00 C ATOM 1236 O LEU A 80 2.716 -8.375 0.576 1.00 0.00 O ATOM 1237 CB LEU A 80 5.036 -9.022 3.067 1.00 0.00 C ATOM 1238 CG LEU A 80 6.511 -8.543 3.099 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.357 -9.560 3.885 1.00 0.00 C ATOM 1240 CD2 LEU A 80 7.081 -8.381 1.660 1.00 0.00 C ATOM 0 H LEU A 80 4.168 -7.118 4.443 1.00 0.00 H new ATOM 0 HA LEU A 80 4.643 -7.343 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.718 -9.290 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.958 -9.922 2.458 1.00 0.00 H new ATOM 0 HG LEU A 80 6.550 -7.569 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.395 -9.228 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.977 -9.640 4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.300 -10.534 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.116 -8.044 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.038 -9.339 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.489 -7.646 1.115 1.00 0.00 H new ATOM 1252 N PRO A 81 2.026 -9.289 2.476 1.00 0.00 N ATOM 1253 CA PRO A 81 0.828 -9.932 1.844 1.00 0.00 C ATOM 1254 C PRO A 81 -0.153 -8.897 1.279 1.00 0.00 C ATOM 1255 O PRO A 81 -0.905 -9.191 0.350 1.00 0.00 O ATOM 1256 CB PRO A 81 0.197 -10.733 3.008 1.00 0.00 C ATOM 1257 CG PRO A 81 0.656 -10.012 4.234 1.00 0.00 C ATOM 1258 CD PRO A 81 2.089 -9.599 3.920 1.00 0.00 C ATOM 0 HA PRO A 81 1.092 -10.554 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.891 -10.749 2.938 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.532 -11.770 3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.030 -9.145 4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 81 0.612 -10.655 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.400 -8.735 4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.797 -10.400 4.132 1.00 0.00 H new ATOM 1266 N MET A 82 -0.147 -7.696 1.851 1.00 0.00 N ATOM 1267 CA MET A 82 -1.051 -6.644 1.393 1.00 0.00 C ATOM 1268 C MET A 82 -0.697 -6.226 -0.030 1.00 0.00 C ATOM 1269 O MET A 82 -1.577 -5.979 -0.852 1.00 0.00 O ATOM 1270 CB MET A 82 -0.966 -5.429 2.332 1.00 0.00 C ATOM 1271 CG MET A 82 -2.108 -4.445 2.038 1.00 0.00 C ATOM 1272 SD MET A 82 -3.683 -5.163 2.580 1.00 0.00 S ATOM 1273 CE MET A 82 -3.634 -4.608 4.305 1.00 0.00 C ATOM 0 H MET A 82 0.465 -7.429 2.622 1.00 0.00 H new ATOM 0 HA MET A 82 -2.070 -7.031 1.403 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.019 -5.759 3.370 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.005 -4.930 2.205 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.930 -3.501 2.554 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.145 -4.224 0.971 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.920 -5.431 4.960 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.624 -4.281 4.553 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.328 -3.778 4.440 1.00 0.00 H new ATOM 1283 N LEU A 83 0.598 -6.143 -0.311 1.00 0.00 N ATOM 1284 CA LEU A 83 1.057 -5.744 -1.635 1.00 0.00 C ATOM 1285 C LEU A 83 0.589 -6.754 -2.678 1.00 0.00 C ATOM 1286 O LEU A 83 0.152 -6.380 -3.766 1.00 0.00 O ATOM 1287 CB LEU A 83 2.588 -5.658 -1.649 1.00 0.00 C ATOM 1288 CG LEU A 83 3.076 -4.552 -0.689 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.605 -4.632 -0.569 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.665 -3.146 -1.193 1.00 0.00 C ATOM 0 H LEU A 83 1.344 -6.345 0.355 1.00 0.00 H new ATOM 0 HA LEU A 83 0.639 -4.766 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.015 -6.617 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.937 -5.450 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 83 2.612 -4.708 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.958 -3.854 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.889 -5.609 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.055 -4.490 -1.552 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.024 -2.390 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.103 -2.969 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.579 -3.088 -1.264 1.00 0.00 H new ATOM 1302 N ALA A 84 0.675 -8.035 -2.336 1.00 0.00 N ATOM 1303 CA ALA A 84 0.249 -9.088 -3.249 1.00 0.00 C ATOM 1304 C ALA A 84 -1.249 -8.987 -3.520 1.00 0.00 C ATOM 1305 O ALA A 84 -1.706 -9.233 -4.638 1.00 0.00 O ATOM 1306 CB ALA A 84 0.570 -10.459 -2.653 1.00 0.00 C ATOM 0 H ALA A 84 1.033 -8.367 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 84 0.787 -8.967 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.248 -11.240 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.644 -10.541 -2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.047 -10.575 -1.704 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.009 -8.627 -2.490 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.455 -8.499 -2.626 1.00 0.00 C ATOM 1314 C GLY A 85 -3.816 -7.404 -3.624 1.00 0.00 C ATOM 1315 O GLY A 85 -4.770 -7.536 -4.388 1.00 0.00 O ATOM 0 H GLY A 85 -1.650 -8.420 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.878 -9.448 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.896 -8.271 -1.656 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.047 -6.322 -3.610 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.294 -5.207 -4.518 1.00 0.00 C ATOM 1321 C LEU A 86 -3.016 -5.627 -5.957 1.00 0.00 C ATOM 1322 O LEU A 86 -3.731 -5.236 -6.878 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.397 -4.022 -4.140 1.00 0.00 C ATOM 1324 CG LEU A 86 -2.791 -3.476 -2.751 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -1.740 -2.459 -2.287 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.190 -2.803 -2.786 1.00 0.00 C ATOM 0 H LEU A 86 -2.252 -6.192 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.339 -4.909 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.353 -4.335 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.489 -3.234 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.835 -4.312 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.016 -2.072 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.766 -2.945 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.690 -1.637 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.439 -2.429 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.177 -1.974 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.937 -3.533 -3.096 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.972 -6.426 -6.147 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.610 -6.890 -7.482 1.00 0.00 C ATOM 1340 C ALA A 87 -2.798 -7.575 -8.155 1.00 0.00 C ATOM 1341 O ALA A 87 -3.001 -7.443 -9.362 1.00 0.00 O ATOM 1342 CB ALA A 87 -0.438 -7.869 -7.392 1.00 0.00 C ATOM 0 H ALA A 87 -1.365 -6.764 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.319 -6.026 -8.080 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.173 -8.212 -8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.419 -7.370 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.724 -8.724 -6.780 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.574 -8.307 -7.364 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.738 -9.014 -7.884 1.00 0.00 C ATOM 1350 C GLN A 88 -5.746 -8.029 -8.472 1.00 0.00 C ATOM 1351 O GLN A 88 -6.565 -8.393 -9.315 1.00 0.00 O ATOM 1352 CB GLN A 88 -5.403 -9.816 -6.762 1.00 0.00 C ATOM 1353 CG GLN A 88 -4.455 -10.921 -6.291 1.00 0.00 C ATOM 1354 CD GLN A 88 -5.073 -11.670 -5.115 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -6.207 -11.388 -4.725 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -4.393 -12.614 -4.524 1.00 0.00 N ATOM 0 H GLN A 88 -3.419 -8.426 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.407 -9.691 -8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.653 -9.158 -5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.337 -10.251 -7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.254 -11.613 -7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.498 -10.490 -5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.454 -12.846 -4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.800 -13.120 -3.738 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.685 -6.779 -8.011 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.602 -5.733 -8.481 1.00 0.00 C ATOM 1367 C LYS A 89 -5.978 -4.964 -9.641 1.00 0.00 C ATOM 1368 O LYS A 89 -6.632 -4.128 -10.263 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.902 -4.765 -7.333 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.645 -5.507 -6.222 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.902 -4.552 -5.055 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.636 -5.295 -3.938 1.00 0.00 C ATOM 1373 NZ LYS A 89 -8.858 -4.373 -2.789 1.00 0.00 N ATOM 0 H LYS A 89 -5.011 -6.464 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.526 -6.200 -8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.974 -4.344 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.504 -3.931 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.589 -5.899 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.058 -6.361 -5.885 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.958 -4.154 -4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.495 -3.702 -5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.591 -5.673 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.053 -6.159 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.267 -4.670 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.602 -3.404 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.860 -4.400 -2.510 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.711 -5.262 -9.922 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.992 -4.605 -11.011 1.00 0.00 C ATOM 1389 C ARG A 90 -3.898 -3.104 -10.754 1.00 0.00 C ATOM 1390 O ARG A 90 -4.359 -2.293 -11.556 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.703 -4.869 -12.349 1.00 0.00 C ATOM 1392 CG ARG A 90 -3.784 -4.492 -13.519 1.00 0.00 C ATOM 1393 CD ARG A 90 -4.529 -4.707 -14.835 1.00 0.00 C ATOM 1394 NE ARG A 90 -4.855 -6.120 -15.000 1.00 0.00 N ATOM 1395 CZ ARG A 90 -3.916 -7.016 -15.285 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -4.234 -8.275 -15.415 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -2.676 -6.638 -15.436 1.00 0.00 N ATOM 0 H ARG A 90 -4.162 -5.953 -9.411 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.983 -5.015 -11.061 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.982 -5.920 -12.420 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.625 -4.290 -12.400 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.471 -3.452 -13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.879 -5.100 -13.496 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.442 -4.111 -14.847 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.915 -4.367 -15.669 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.822 -6.426 -14.895 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.203 -8.571 -15.298 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.513 -8.963 -15.634 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.427 -5.654 -15.335 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.956 -7.327 -15.655 1.00 0.00 H new ATOM 1411 N VAL A 91 -3.304 -2.737 -9.619 1.00 0.00 N ATOM 1412 CA VAL A 91 -3.150 -1.326 -9.248 1.00 0.00 C ATOM 1413 C VAL A 91 -1.799 -1.090 -8.579 1.00 0.00 C ATOM 1414 O VAL A 91 -1.526 0.006 -8.090 1.00 0.00 O ATOM 1415 CB VAL A 91 -4.276 -0.914 -8.300 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.628 -1.099 -8.996 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -4.226 -1.777 -7.031 1.00 0.00 C ATOM 0 H VAL A 91 -2.921 -3.394 -8.940 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.199 -0.722 -10.154 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.151 0.134 -8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.429 -0.805 -8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.664 -0.479 -9.892 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.754 -2.145 -9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.030 -1.481 -6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.346 -2.826 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.266 -1.637 -6.534 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.955 -2.131 -8.557 1.00 0.00 N ATOM 1428 CA LEU A 92 0.384 -2.049 -7.946 1.00 0.00 C ATOM 1429 C LEU A 92 1.455 -2.181 -9.008 1.00 0.00 C ATOM 1430 O LEU A 92 1.292 -2.898 -9.995 1.00 0.00 O ATOM 1431 CB LEU A 92 0.553 -3.159 -6.894 1.00 0.00 C ATOM 1432 CG LEU A 92 1.916 -3.049 -6.171 1.00 0.00 C ATOM 1433 CD1 LEU A 92 2.032 -1.716 -5.393 1.00 0.00 C ATOM 1434 CD2 LEU A 92 2.047 -4.233 -5.203 1.00 0.00 C ATOM 0 H LEU A 92 -1.175 -3.044 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 92 0.486 -1.078 -7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.254 -3.096 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.472 -4.134 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 92 2.717 -3.070 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.001 -1.668 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.939 -0.880 -6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.238 -1.659 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.003 -4.174 -4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.235 -4.200 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.996 -5.167 -5.762 1.00 0.00 H new ATOM 1446 N GLU A 93 2.555 -1.466 -8.796 1.00 0.00 N ATOM 1447 CA GLU A 93 3.668 -1.479 -9.734 1.00 0.00 C ATOM 1448 C GLU A 93 4.970 -1.164 -9.005 1.00 0.00 C ATOM 1449 O GLU A 93 5.067 -0.166 -8.291 1.00 0.00 O ATOM 1450 CB GLU A 93 3.400 -0.429 -10.812 1.00 0.00 C ATOM 1451 CG GLU A 93 4.415 -0.551 -11.948 1.00 0.00 C ATOM 1452 CD GLU A 93 4.170 -1.825 -12.755 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.155 -2.465 -12.532 1.00 0.00 O ATOM 1454 OE2 GLU A 93 5.007 -2.146 -13.583 1.00 0.00 O ATOM 0 H GLU A 93 2.698 -0.870 -7.981 1.00 0.00 H new ATOM 0 HA GLU A 93 3.762 -2.465 -10.190 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.391 -0.553 -11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.452 0.569 -10.376 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.344 0.319 -12.601 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.426 -0.561 -11.540 1.00 0.00 H new ATOM 1461 N ARG A 94 5.966 -2.018 -9.189 1.00 0.00 N ATOM 1462 CA ARG A 94 7.255 -1.815 -8.545 1.00 0.00 C ATOM 1463 C ARG A 94 7.923 -0.551 -9.080 1.00 0.00 C ATOM 1464 O ARG A 94 8.700 -0.662 -10.015 1.00 0.00 O ATOM 1465 CB ARG A 94 8.159 -3.027 -8.796 1.00 0.00 C ATOM 1466 CG ARG A 94 7.608 -4.247 -8.052 1.00 0.00 C ATOM 1467 CD ARG A 94 8.519 -5.449 -8.304 1.00 0.00 C ATOM 1468 NE ARG A 94 8.010 -6.623 -7.603 1.00 0.00 N ATOM 1469 CZ ARG A 94 8.763 -7.707 -7.430 1.00 0.00 C ATOM 1470 NH1 ARG A 94 8.287 -8.736 -6.784 1.00 0.00 N ATOM 1471 NH2 ARG A 94 9.976 -7.742 -7.911 1.00 0.00 N ATOM 1472 OXT ARG A 94 7.648 0.512 -8.547 1.00 0.00 O ATOM 0 H ARG A 94 5.908 -2.852 -9.774 1.00 0.00 H new ATOM 0 HA ARG A 94 7.096 -1.700 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.215 -3.236 -9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.173 -2.812 -8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.549 -4.039 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.595 -4.467 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.578 -5.652 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.531 -5.225 -7.966 1.00 0.00 H new ATOM 0 HE ARG A 94 7.058 -6.613 -7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.338 -8.710 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.864 -9.567 -6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.346 -6.939 -8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.553 -8.572 -7.779 1.00 0.00 H new TER 1486 ARG A 94