USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.6) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -125:sc= 0 (180deg=-0.0518) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -53:sc= 0.019 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 55 HIS : no HD1:sc=-0.00959 X(o=-0.0096,f=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= -0.703 (180deg=-0.71) USER MOD Single : A 58 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.704) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.0078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.500 -1.875 -4.678 1.00 11.22 N ATOM 2 CA MET A 1 3.110 -2.118 -4.310 1.00 71.30 C ATOM 3 C MET A 1 2.866 -3.603 -4.060 1.00 73.24 C ATOM 4 O MET A 1 2.071 -4.236 -4.753 1.00 74.44 O ATOM 5 CB MET A 1 2.173 -1.613 -5.409 1.00 62.21 C ATOM 6 CG MET A 1 0.779 -1.271 -4.909 1.00 41.34 C ATOM 7 SD MET A 1 -0.023 0.000 -5.906 1.00 73.31 S ATOM 8 CE MET A 1 -1.304 0.553 -4.782 1.00 62.04 C ATOM 0 H1 MET A 1 4.643 -0.858 -4.843 1.00 11.22 H new ATOM 0 H2 MET A 1 5.123 -2.191 -3.908 1.00 11.22 H new ATOM 0 H3 MET A 1 4.727 -2.402 -5.546 1.00 11.22 H new ATOM 0 HA MET A 1 2.904 -1.574 -3.389 1.00 71.30 H new ATOM 0 HB2 MET A 1 2.612 -0.729 -5.871 1.00 62.21 H new ATOM 0 HB3 MET A 1 2.095 -2.373 -6.186 1.00 62.21 H new ATOM 0 HG2 MET A 1 0.165 -2.171 -4.912 1.00 41.34 H new ATOM 0 HG3 MET A 1 0.841 -0.931 -3.875 1.00 41.34 H new ATOM 0 HE1 MET A 1 -1.888 1.342 -5.256 1.00 62.04 H new ATOM 0 HE2 MET A 1 -1.957 -0.284 -4.535 1.00 62.04 H new ATOM 0 HE3 MET A 1 -0.847 0.938 -3.870 1.00 62.04 H new ATOM 18 N GLY A 2 3.556 -4.153 -3.066 1.00 32.14 N ATOM 19 CA GLY A 2 3.400 -5.559 -2.743 1.00 74.41 C ATOM 20 C GLY A 2 4.623 -6.377 -3.107 1.00 71.03 C ATOM 21 O GLY A 2 4.582 -7.194 -4.028 1.00 22.22 O ATOM 0 H GLY A 2 4.221 -3.650 -2.478 1.00 32.14 H new ATOM 0 HA2 GLY A 2 3.201 -5.664 -1.676 1.00 74.41 H new ATOM 0 HA3 GLY A 2 2.532 -5.955 -3.270 1.00 74.41 H new ATOM 25 N THR A 3 5.717 -6.157 -2.385 1.00 11.33 N ATOM 26 CA THR A 3 6.958 -6.877 -2.638 1.00 43.02 C ATOM 27 C THR A 3 7.695 -7.177 -1.338 1.00 21.20 C ATOM 28 O THR A 3 7.273 -6.753 -0.262 1.00 55.11 O ATOM 29 CB THR A 3 7.890 -6.080 -3.571 1.00 11.23 C ATOM 30 OG1 THR A 3 8.246 -4.835 -2.960 1.00 1.23 O ATOM 31 CG2 THR A 3 7.220 -5.819 -4.911 1.00 72.33 C ATOM 0 H THR A 3 5.768 -5.485 -1.619 1.00 11.33 H new ATOM 0 HA THR A 3 6.686 -7.815 -3.123 1.00 43.02 H new ATOM 0 HB THR A 3 8.790 -6.671 -3.742 1.00 11.23 H new ATOM 0 HG1 THR A 3 8.840 -4.335 -3.558 1.00 1.23 H new ATOM 0 HG21 THR A 3 7.897 -5.255 -5.553 1.00 72.33 H new ATOM 0 HG22 THR A 3 6.976 -6.769 -5.387 1.00 72.33 H new ATOM 0 HG23 THR A 3 6.306 -5.246 -4.755 1.00 72.33 H new ATOM 39 N ILE A 4 8.798 -7.910 -1.444 1.00 63.13 N ATOM 40 CA ILE A 4 9.595 -8.265 -0.276 1.00 55.01 C ATOM 41 C ILE A 4 9.998 -7.023 0.512 1.00 34.43 C ATOM 42 O ILE A 4 10.227 -7.090 1.720 1.00 1.20 O ATOM 43 CB ILE A 4 10.864 -9.041 -0.674 1.00 51.15 C ATOM 44 CG1 ILE A 4 11.098 -10.207 0.288 1.00 4.10 C ATOM 45 CG2 ILE A 4 12.069 -8.112 -0.693 1.00 55.21 C ATOM 46 CD1 ILE A 4 11.188 -9.785 1.738 1.00 54.01 C ATOM 0 H ILE A 4 9.160 -8.270 -2.327 1.00 63.13 H new ATOM 0 HA ILE A 4 8.971 -8.903 0.350 1.00 55.01 H new ATOM 0 HB ILE A 4 10.726 -9.445 -1.677 1.00 51.15 H new ATOM 0 HG12 ILE A 4 10.287 -10.927 0.177 1.00 4.10 H new ATOM 0 HG13 ILE A 4 12.019 -10.719 0.009 1.00 4.10 H new ATOM 0 HG21 ILE A 4 12.958 -8.675 -0.976 1.00 55.21 H new ATOM 0 HG22 ILE A 4 11.901 -7.313 -1.415 1.00 55.21 H new ATOM 0 HG23 ILE A 4 12.212 -7.682 0.298 1.00 55.21 H new ATOM 0 HD11 ILE A 4 11.354 -10.663 2.363 1.00 54.01 H new ATOM 0 HD12 ILE A 4 12.017 -9.088 1.863 1.00 54.01 H new ATOM 0 HD13 ILE A 4 10.258 -9.300 2.034 1.00 54.01 H new ATOM 58 N ASP A 5 10.080 -5.892 -0.179 1.00 2.24 N ATOM 59 CA ASP A 5 10.453 -4.633 0.457 1.00 34.31 C ATOM 60 C ASP A 5 9.448 -4.254 1.540 1.00 11.54 C ATOM 61 O ASP A 5 9.826 -3.799 2.620 1.00 24.43 O ATOM 62 CB ASP A 5 10.543 -3.518 -0.585 1.00 43.15 C ATOM 63 CG ASP A 5 11.161 -2.252 -0.026 1.00 42.52 C ATOM 64 OD1 ASP A 5 11.848 -2.336 1.013 1.00 15.24 O ATOM 65 OD2 ASP A 5 10.958 -1.176 -0.628 1.00 12.13 O ATOM 0 H ASP A 5 9.893 -5.820 -1.179 1.00 2.24 H new ATOM 0 HA ASP A 5 11.430 -4.764 0.922 1.00 34.31 H new ATOM 0 HB2 ASP A 5 11.134 -3.864 -1.433 1.00 43.15 H new ATOM 0 HB3 ASP A 5 9.545 -3.296 -0.962 1.00 43.15 H new ATOM 70 N ASP A 6 8.167 -4.441 1.244 1.00 73.42 N ATOM 71 CA ASP A 6 7.107 -4.119 2.192 1.00 1.42 C ATOM 72 C ASP A 6 7.316 -4.855 3.512 1.00 51.12 C ATOM 73 O ASP A 6 6.870 -4.400 4.565 1.00 63.21 O ATOM 74 CB ASP A 6 5.741 -4.477 1.605 1.00 41.43 C ATOM 75 CG ASP A 6 4.597 -3.835 2.365 1.00 5.42 C ATOM 76 OD1 ASP A 6 4.179 -4.401 3.396 1.00 4.04 O ATOM 77 OD2 ASP A 6 4.120 -2.766 1.929 1.00 71.23 O ATOM 0 H ASP A 6 7.837 -4.814 0.354 1.00 73.42 H new ATOM 0 HA ASP A 6 7.140 -3.047 2.385 1.00 1.42 H new ATOM 0 HB2 ASP A 6 5.703 -4.161 0.562 1.00 41.43 H new ATOM 0 HB3 ASP A 6 5.617 -5.560 1.615 1.00 41.43 H new ATOM 82 N ALA A 7 7.995 -5.995 3.446 1.00 24.21 N ATOM 83 CA ALA A 7 8.264 -6.794 4.635 1.00 30.04 C ATOM 84 C ALA A 7 9.260 -6.094 5.554 1.00 55.41 C ATOM 85 O ALA A 7 9.000 -5.911 6.743 1.00 32.05 O ATOM 86 CB ALA A 7 8.783 -8.169 4.242 1.00 42.15 C ATOM 0 H ALA A 7 8.369 -6.386 2.581 1.00 24.21 H new ATOM 0 HA ALA A 7 7.328 -6.913 5.180 1.00 30.04 H new ATOM 0 HB1 ALA A 7 8.979 -8.754 5.140 1.00 42.15 H new ATOM 0 HB2 ALA A 7 8.037 -8.679 3.633 1.00 42.15 H new ATOM 0 HB3 ALA A 7 9.705 -8.060 3.671 1.00 42.15 H new ATOM 92 N PHE A 8 10.400 -5.704 4.995 1.00 43.32 N ATOM 93 CA PHE A 8 11.436 -5.025 5.765 1.00 40.55 C ATOM 94 C PHE A 8 10.854 -3.844 6.537 1.00 71.40 C ATOM 95 O PHE A 8 11.316 -3.516 7.630 1.00 53.42 O ATOM 96 CB PHE A 8 12.555 -4.541 4.839 1.00 35.01 C ATOM 97 CG PHE A 8 13.092 -5.615 3.936 1.00 13.53 C ATOM 98 CD1 PHE A 8 13.323 -6.893 4.419 1.00 52.51 C ATOM 99 CD2 PHE A 8 13.366 -5.345 2.605 1.00 31.30 C ATOM 100 CE1 PHE A 8 13.817 -7.883 3.591 1.00 52.23 C ATOM 101 CE2 PHE A 8 13.859 -6.332 1.772 1.00 5.41 C ATOM 102 CZ PHE A 8 14.086 -7.602 2.266 1.00 44.52 C ATOM 0 H PHE A 8 10.630 -5.846 4.012 1.00 43.32 H new ATOM 0 HA PHE A 8 11.847 -5.737 6.480 1.00 40.55 H new ATOM 0 HB2 PHE A 8 12.181 -3.718 4.230 1.00 35.01 H new ATOM 0 HB3 PHE A 8 13.370 -4.145 5.444 1.00 35.01 H new ATOM 0 HD1 PHE A 8 13.115 -7.118 5.455 1.00 52.51 H new ATOM 0 HD2 PHE A 8 13.193 -4.353 2.214 1.00 31.30 H new ATOM 0 HE1 PHE A 8 13.992 -8.875 3.980 1.00 52.23 H new ATOM 0 HE2 PHE A 8 14.067 -6.110 0.736 1.00 5.41 H new ATOM 0 HZ PHE A 8 14.473 -8.374 1.617 1.00 44.52 H new ATOM 112 N ARG A 9 9.838 -3.211 5.960 1.00 34.05 N ATOM 113 CA ARG A 9 9.193 -2.066 6.593 1.00 60.51 C ATOM 114 C ARG A 9 8.437 -2.493 7.848 1.00 74.25 C ATOM 115 O ARG A 9 8.481 -1.814 8.873 1.00 45.25 O ATOM 116 CB ARG A 9 8.234 -1.388 5.613 1.00 45.04 C ATOM 117 CG ARG A 9 8.938 -0.622 4.504 1.00 62.51 C ATOM 118 CD ARG A 9 7.942 0.001 3.539 1.00 43.14 C ATOM 119 NE ARG A 9 7.575 1.359 3.932 1.00 22.31 N ATOM 120 CZ ARG A 9 8.383 2.405 3.803 1.00 41.22 C ATOM 121 NH1 ARG A 9 9.597 2.251 3.293 1.00 61.44 N ATOM 122 NH2 ARG A 9 7.977 3.610 4.184 1.00 71.43 N ATOM 0 H ARG A 9 9.444 -3.471 5.056 1.00 34.05 H new ATOM 0 HA ARG A 9 9.969 -1.357 6.881 1.00 60.51 H new ATOM 0 HB2 ARG A 9 7.588 -2.145 5.167 1.00 45.04 H new ATOM 0 HB3 ARG A 9 7.589 -0.703 6.164 1.00 45.04 H new ATOM 0 HG2 ARG A 9 9.562 0.159 4.939 1.00 62.51 H new ATOM 0 HG3 ARG A 9 9.601 -1.294 3.960 1.00 62.51 H new ATOM 0 HD2 ARG A 9 8.370 0.017 2.537 1.00 43.14 H new ATOM 0 HD3 ARG A 9 7.046 -0.618 3.493 1.00 43.14 H new ATOM 0 HE ARG A 9 6.647 1.512 4.327 1.00 22.31 H new ATOM 0 HH11 ARG A 9 9.913 1.327 2.998 1.00 61.44 H new ATOM 0 HH12 ARG A 9 10.215 3.057 3.195 1.00 61.44 H new ATOM 0 HH21 ARG A 9 7.044 3.733 4.576 1.00 71.43 H new ATOM 0 HH22 ARG A 9 8.598 4.413 4.084 1.00 71.43 H new ATOM 136 N ALA A 10 7.742 -3.623 7.758 1.00 40.20 N ATOM 137 CA ALA A 10 6.977 -4.141 8.886 1.00 43.34 C ATOM 138 C ALA A 10 7.899 -4.590 10.014 1.00 3.11 C ATOM 139 O ALA A 10 7.516 -4.576 11.184 1.00 13.02 O ATOM 140 CB ALA A 10 6.090 -5.292 8.437 1.00 74.01 C ATOM 0 H ALA A 10 7.693 -4.197 6.916 1.00 40.20 H new ATOM 0 HA ALA A 10 6.346 -3.337 9.266 1.00 43.34 H new ATOM 0 HB1 ALA A 10 5.524 -5.669 9.289 1.00 74.01 H new ATOM 0 HB2 ALA A 10 5.400 -4.941 7.670 1.00 74.01 H new ATOM 0 HB3 ALA A 10 6.709 -6.091 8.030 1.00 74.01 H new ATOM 146 N ILE A 11 9.115 -4.988 9.656 1.00 61.25 N ATOM 147 CA ILE A 11 10.091 -5.441 10.639 1.00 61.01 C ATOM 148 C ILE A 11 10.239 -4.432 11.772 1.00 15.43 C ATOM 149 O ILE A 11 10.220 -4.796 12.947 1.00 31.52 O ATOM 150 CB ILE A 11 11.470 -5.678 9.995 1.00 20.44 C ATOM 151 CG1 ILE A 11 11.385 -6.793 8.951 1.00 75.13 C ATOM 152 CG2 ILE A 11 12.500 -6.022 11.061 1.00 11.12 C ATOM 153 CD1 ILE A 11 11.027 -8.142 9.534 1.00 21.13 C ATOM 0 H ILE A 11 9.448 -5.006 8.692 1.00 61.25 H new ATOM 0 HA ILE A 11 9.720 -6.384 11.041 1.00 61.01 H new ATOM 0 HB ILE A 11 11.784 -4.761 9.496 1.00 20.44 H new ATOM 0 HG12 ILE A 11 10.642 -6.522 8.201 1.00 75.13 H new ATOM 0 HG13 ILE A 11 12.343 -6.871 8.436 1.00 75.13 H new ATOM 0 HG21 ILE A 11 13.469 -6.187 10.591 1.00 11.12 H new ATOM 0 HG22 ILE A 11 12.577 -5.199 11.772 1.00 11.12 H new ATOM 0 HG23 ILE A 11 12.193 -6.927 11.585 1.00 11.12 H new ATOM 0 HD11 ILE A 11 10.985 -8.884 8.736 1.00 21.13 H new ATOM 0 HD12 ILE A 11 11.783 -8.436 10.263 1.00 21.13 H new ATOM 0 HD13 ILE A 11 10.055 -8.080 10.024 1.00 21.13 H new ATOM 165 N GLU A 12 10.383 -3.161 11.410 1.00 2.45 N ATOM 166 CA GLU A 12 10.533 -2.098 12.398 1.00 34.20 C ATOM 167 C GLU A 12 9.419 -2.162 13.439 1.00 34.40 C ATOM 168 O GLU A 12 9.634 -1.864 14.614 1.00 44.23 O ATOM 169 CB GLU A 12 10.527 -0.730 11.713 1.00 71.12 C ATOM 170 CG GLU A 12 11.294 0.336 12.477 1.00 52.44 C ATOM 171 CD GLU A 12 10.824 1.740 12.149 1.00 50.34 C ATOM 172 OE1 GLU A 12 9.676 2.079 12.505 1.00 1.52 O ATOM 173 OE2 GLU A 12 11.603 2.499 11.536 1.00 42.43 O ATOM 0 H GLU A 12 10.399 -2.842 10.441 1.00 2.45 H new ATOM 0 HA GLU A 12 11.488 -2.239 12.904 1.00 34.20 H new ATOM 0 HB2 GLU A 12 10.956 -0.830 10.716 1.00 71.12 H new ATOM 0 HB3 GLU A 12 9.496 -0.402 11.585 1.00 71.12 H new ATOM 0 HG2 GLU A 12 11.184 0.161 13.547 1.00 52.44 H new ATOM 0 HG3 GLU A 12 12.356 0.249 12.247 1.00 52.44 H new ATOM 180 N ARG A 13 8.227 -2.554 12.999 1.00 42.53 N ATOM 181 CA ARG A 13 7.079 -2.655 13.891 1.00 73.41 C ATOM 182 C ARG A 13 7.183 -3.897 14.771 1.00 33.43 C ATOM 183 O ARG A 13 6.788 -3.879 15.937 1.00 43.22 O ATOM 184 CB ARG A 13 5.780 -2.697 13.083 1.00 64.21 C ATOM 185 CG ARG A 13 4.773 -1.635 13.493 1.00 64.02 C ATOM 186 CD ARG A 13 5.033 -0.317 12.780 1.00 73.00 C ATOM 187 NE ARG A 13 3.814 0.474 12.631 1.00 71.42 N ATOM 188 CZ ARG A 13 3.229 1.118 13.634 1.00 35.12 C ATOM 189 NH1 ARG A 13 3.748 1.066 14.853 1.00 61.21 N ATOM 190 NH2 ARG A 13 2.121 1.817 13.419 1.00 22.23 N ATOM 0 H ARG A 13 8.032 -2.807 12.030 1.00 42.53 H new ATOM 0 HA ARG A 13 7.071 -1.774 14.533 1.00 73.41 H new ATOM 0 HB2 ARG A 13 6.015 -2.573 12.026 1.00 64.21 H new ATOM 0 HB3 ARG A 13 5.324 -3.681 13.195 1.00 64.21 H new ATOM 0 HG2 ARG A 13 3.765 -1.981 13.265 1.00 64.02 H new ATOM 0 HG3 ARG A 13 4.822 -1.483 14.571 1.00 64.02 H new ATOM 0 HD2 ARG A 13 5.772 0.258 13.338 1.00 73.00 H new ATOM 0 HD3 ARG A 13 5.459 -0.515 11.797 1.00 73.00 H new ATOM 0 HE ARG A 13 3.389 0.535 11.706 1.00 71.42 H new ATOM 0 HH11 ARG A 13 4.599 0.530 15.022 1.00 61.21 H new ATOM 0 HH12 ARG A 13 3.296 1.562 15.621 1.00 61.21 H new ATOM 0 HH21 ARG A 13 1.718 1.860 12.483 1.00 22.23 H new ATOM 0 HH22 ARG A 13 1.672 2.311 14.190 1.00 22.23 H new ATOM 204 N ALA A 14 7.716 -4.975 14.205 1.00 53.01 N ATOM 205 CA ALA A 14 7.873 -6.225 14.938 1.00 12.22 C ATOM 206 C ALA A 14 8.717 -6.023 16.192 1.00 60.30 C ATOM 207 O ALA A 14 8.321 -6.420 17.288 1.00 11.45 O ATOM 208 CB ALA A 14 8.497 -7.286 14.044 1.00 32.34 C ATOM 0 H ALA A 14 8.046 -5.008 13.241 1.00 53.01 H new ATOM 0 HA ALA A 14 6.884 -6.563 15.248 1.00 12.22 H new ATOM 0 HB1 ALA A 14 8.608 -8.214 14.604 1.00 32.34 H new ATOM 0 HB2 ALA A 14 7.854 -7.458 13.181 1.00 32.34 H new ATOM 0 HB3 ALA A 14 9.476 -6.947 13.706 1.00 32.34 H new ATOM 214 N ILE A 15 9.881 -5.406 16.023 1.00 65.24 N ATOM 215 CA ILE A 15 10.781 -5.152 17.141 1.00 33.43 C ATOM 216 C ILE A 15 10.161 -4.175 18.134 1.00 34.23 C ATOM 217 O ILE A 15 10.395 -4.268 19.339 1.00 43.42 O ATOM 218 CB ILE A 15 12.132 -4.591 16.661 1.00 10.42 C ATOM 219 CG1 ILE A 15 13.091 -4.430 17.842 1.00 10.15 C ATOM 220 CG2 ILE A 15 11.930 -3.260 15.951 1.00 22.30 C ATOM 221 CD1 ILE A 15 14.330 -5.291 17.736 1.00 44.41 C ATOM 0 H ILE A 15 10.223 -5.072 15.122 1.00 65.24 H new ATOM 0 HA ILE A 15 10.950 -6.109 17.634 1.00 33.43 H new ATOM 0 HB ILE A 15 12.571 -5.295 15.954 1.00 10.42 H new ATOM 0 HG12 ILE A 15 13.390 -3.385 17.917 1.00 10.15 H new ATOM 0 HG13 ILE A 15 12.564 -4.677 18.764 1.00 10.15 H new ATOM 0 HG21 ILE A 15 12.894 -2.876 15.617 1.00 22.30 H new ATOM 0 HG22 ILE A 15 11.278 -3.403 15.089 1.00 22.30 H new ATOM 0 HG23 ILE A 15 11.473 -2.547 16.637 1.00 22.30 H new ATOM 0 HD11 ILE A 15 14.964 -5.125 18.607 1.00 44.41 H new ATOM 0 HD12 ILE A 15 14.041 -6.341 17.692 1.00 44.41 H new ATOM 0 HD13 ILE A 15 14.880 -5.028 16.832 1.00 44.41 H new ATOM 233 N GLN A 16 9.367 -3.241 17.620 1.00 22.21 N ATOM 234 CA GLN A 16 8.712 -2.248 18.462 1.00 2.55 C ATOM 235 C GLN A 16 7.878 -2.919 19.549 1.00 63.24 C ATOM 236 O GLN A 16 7.608 -2.326 20.592 1.00 33.45 O ATOM 237 CB GLN A 16 7.826 -1.334 17.615 1.00 51.45 C ATOM 238 CG GLN A 16 8.493 -0.022 17.233 1.00 22.02 C ATOM 239 CD GLN A 16 8.099 1.121 18.148 1.00 61.21 C ATOM 240 OE1 GLN A 16 7.137 1.841 17.881 1.00 14.12 O ATOM 241 NE2 GLN A 16 8.843 1.293 19.234 1.00 13.34 N ATOM 0 H GLN A 16 9.162 -3.152 16.625 1.00 22.21 H new ATOM 0 HA GLN A 16 9.486 -1.649 18.942 1.00 2.55 H new ATOM 0 HB2 GLN A 16 7.537 -1.863 16.707 1.00 51.45 H new ATOM 0 HB3 GLN A 16 6.910 -1.119 18.165 1.00 51.45 H new ATOM 0 HG2 GLN A 16 9.575 -0.148 17.260 1.00 22.02 H new ATOM 0 HG3 GLN A 16 8.227 0.231 16.207 1.00 22.02 H new ATOM 0 HE21 GLN A 16 9.632 0.672 19.416 1.00 13.34 H new ATOM 0 HE22 GLN A 16 8.626 2.046 19.887 1.00 13.34 H new ATOM 250 N ALA A 17 7.474 -4.159 19.295 1.00 73.41 N ATOM 251 CA ALA A 17 6.672 -4.912 20.252 1.00 61.23 C ATOM 252 C ALA A 17 7.298 -4.875 21.642 1.00 63.44 C ATOM 253 O ALA A 17 6.613 -4.635 22.634 1.00 15.55 O ATOM 254 CB ALA A 17 6.505 -6.350 19.784 1.00 34.30 C ATOM 0 H ALA A 17 7.689 -4.664 18.435 1.00 73.41 H new ATOM 0 HA ALA A 17 5.689 -4.445 20.313 1.00 61.23 H new ATOM 0 HB1 ALA A 17 5.904 -6.901 20.508 1.00 34.30 H new ATOM 0 HB2 ALA A 17 6.006 -6.362 18.815 1.00 34.30 H new ATOM 0 HB3 ALA A 17 7.485 -6.819 19.694 1.00 34.30 H new ATOM 260 N GLU A 18 8.604 -5.117 21.704 1.00 1.50 N ATOM 261 CA GLU A 18 9.321 -5.112 22.974 1.00 62.23 C ATOM 262 C GLU A 18 8.751 -6.161 23.924 1.00 12.23 C ATOM 263 O GLU A 18 8.935 -6.079 25.138 1.00 62.32 O ATOM 264 CB GLU A 18 9.249 -3.728 23.621 1.00 15.31 C ATOM 265 CG GLU A 18 10.368 -2.795 23.191 1.00 50.15 C ATOM 266 CD GLU A 18 10.203 -1.392 23.742 1.00 22.13 C ATOM 267 OE1 GLU A 18 9.183 -0.746 23.426 1.00 51.52 O ATOM 268 OE2 GLU A 18 11.095 -0.941 24.491 1.00 22.32 O ATOM 0 H GLU A 18 9.186 -5.319 20.891 1.00 1.50 H new ATOM 0 HA GLU A 18 10.364 -5.357 22.774 1.00 62.23 H new ATOM 0 HB2 GLU A 18 8.291 -3.270 23.374 1.00 15.31 H new ATOM 0 HB3 GLU A 18 9.278 -3.841 24.705 1.00 15.31 H new ATOM 0 HG2 GLU A 18 11.323 -3.202 23.524 1.00 50.15 H new ATOM 0 HG3 GLU A 18 10.402 -2.752 22.102 1.00 50.15 H new ATOM 275 N ASN A 19 8.057 -7.145 23.362 1.00 34.14 N ATOM 276 CA ASN A 19 7.458 -8.210 24.159 1.00 12.32 C ATOM 277 C ASN A 19 6.845 -9.281 23.263 1.00 63.53 C ATOM 278 O ASN A 19 7.440 -10.336 23.045 1.00 23.31 O ATOM 279 CB ASN A 19 6.389 -7.637 25.092 1.00 33.21 C ATOM 280 CG ASN A 19 5.566 -8.721 25.763 1.00 44.52 C ATOM 281 OD1 ASN A 19 6.091 -9.767 26.145 1.00 40.32 O ATOM 282 ND2 ASN A 19 4.270 -8.474 25.909 1.00 52.20 N ATOM 0 H ASN A 19 7.895 -7.227 22.358 1.00 34.14 H new ATOM 0 HA ASN A 19 8.245 -8.669 24.757 1.00 12.32 H new ATOM 0 HB2 ASN A 19 6.868 -7.023 25.855 1.00 33.21 H new ATOM 0 HB3 ASN A 19 5.728 -6.982 24.524 1.00 33.21 H new ATOM 0 HD21 ASN A 19 3.666 -9.165 26.353 1.00 52.20 H new ATOM 0 HD22 ASN A 19 3.878 -7.593 25.577 1.00 52.20 H new ATOM 289 N GLU A 20 5.653 -9.002 22.745 1.00 30.03 N ATOM 290 CA GLU A 20 4.960 -9.943 21.873 1.00 43.45 C ATOM 291 C GLU A 20 3.589 -9.406 21.474 1.00 55.01 C ATOM 292 O GLU A 20 2.593 -9.647 22.156 1.00 63.45 O ATOM 293 CB GLU A 20 4.808 -11.298 22.565 1.00 30.44 C ATOM 294 CG GLU A 20 4.366 -11.195 24.015 1.00 14.43 C ATOM 295 CD GLU A 20 3.289 -12.202 24.370 1.00 12.42 C ATOM 296 OE1 GLU A 20 2.387 -12.424 23.535 1.00 13.54 O ATOM 297 OE2 GLU A 20 3.348 -12.767 25.482 1.00 73.12 O ATOM 0 H GLU A 20 5.147 -8.132 22.914 1.00 30.03 H new ATOM 0 HA GLU A 20 5.558 -10.070 20.971 1.00 43.45 H new ATOM 0 HB2 GLU A 20 4.083 -11.898 22.015 1.00 30.44 H new ATOM 0 HB3 GLU A 20 5.760 -11.828 22.521 1.00 30.44 H new ATOM 0 HG2 GLU A 20 5.228 -11.346 24.665 1.00 14.43 H new ATOM 0 HG3 GLU A 20 3.994 -10.188 24.207 1.00 14.43 H new ATOM 304 N GLY A 21 3.545 -8.675 20.364 1.00 60.22 N ATOM 305 CA GLY A 21 2.292 -8.115 19.893 1.00 12.23 C ATOM 306 C GLY A 21 2.137 -8.222 18.389 1.00 21.12 C ATOM 307 O GLY A 21 1.600 -9.207 17.883 1.00 63.45 O ATOM 0 H GLY A 21 4.355 -8.461 19.783 1.00 60.22 H new ATOM 0 HA2 GLY A 21 1.463 -8.630 20.378 1.00 12.23 H new ATOM 0 HA3 GLY A 21 2.233 -7.067 20.187 1.00 12.23 H new ATOM 311 N ARG A 22 2.607 -7.206 17.674 1.00 51.44 N ATOM 312 CA ARG A 22 2.515 -7.189 16.219 1.00 43.34 C ATOM 313 C ARG A 22 3.624 -8.032 15.594 1.00 15.44 C ATOM 314 O ARG A 22 3.525 -8.449 14.440 1.00 34.13 O ATOM 315 CB ARG A 22 2.597 -5.753 15.698 1.00 44.32 C ATOM 316 CG ARG A 22 3.896 -5.048 16.056 1.00 35.02 C ATOM 317 CD ARG A 22 3.727 -3.537 16.058 1.00 41.35 C ATOM 318 NE ARG A 22 2.703 -3.101 17.003 1.00 1.13 N ATOM 319 CZ ARG A 22 2.920 -2.956 18.306 1.00 53.22 C ATOM 320 NH1 ARG A 22 4.117 -3.210 18.814 1.00 25.14 N ATOM 321 NH2 ARG A 22 1.937 -2.555 19.102 1.00 22.14 N ATOM 0 H ARG A 22 3.055 -6.384 18.078 1.00 51.44 H new ATOM 0 HA ARG A 22 1.553 -7.617 15.936 1.00 43.34 H new ATOM 0 HB2 ARG A 22 2.485 -5.762 14.614 1.00 44.32 H new ATOM 0 HB3 ARG A 22 1.761 -5.181 16.100 1.00 44.32 H new ATOM 0 HG2 ARG A 22 4.232 -5.379 17.039 1.00 35.02 H new ATOM 0 HG3 ARG A 22 4.672 -5.328 15.343 1.00 35.02 H new ATOM 0 HD2 ARG A 22 4.677 -3.067 16.311 1.00 41.35 H new ATOM 0 HD3 ARG A 22 3.462 -3.201 15.056 1.00 41.35 H new ATOM 0 HE ARG A 22 1.771 -2.897 16.644 1.00 1.13 H new ATOM 0 HH11 ARG A 22 4.875 -3.518 18.205 1.00 25.14 H new ATOM 0 HH12 ARG A 22 4.281 -3.098 19.815 1.00 25.14 H new ATOM 0 HH21 ARG A 22 1.015 -2.358 18.714 1.00 22.14 H new ATOM 0 HH22 ARG A 22 2.104 -2.444 20.102 1.00 22.14 H new ATOM 335 N TYR A 23 4.678 -8.277 16.364 1.00 34.44 N ATOM 336 CA TYR A 23 5.806 -9.068 15.886 1.00 12.42 C ATOM 337 C TYR A 23 5.327 -10.361 15.234 1.00 24.20 C ATOM 338 O TYR A 23 5.982 -10.898 14.340 1.00 22.14 O ATOM 339 CB TYR A 23 6.757 -9.387 17.040 1.00 4.14 C ATOM 340 CG TYR A 23 6.369 -10.622 17.822 1.00 51.24 C ATOM 341 CD1 TYR A 23 5.156 -10.687 18.497 1.00 63.51 C ATOM 342 CD2 TYR A 23 7.214 -11.722 17.885 1.00 25.44 C ATOM 343 CE1 TYR A 23 4.797 -11.813 19.212 1.00 22.35 C ATOM 344 CE2 TYR A 23 6.863 -12.853 18.597 1.00 0.12 C ATOM 345 CZ TYR A 23 5.654 -12.893 19.259 1.00 34.52 C ATOM 346 OH TYR A 23 5.301 -14.017 19.971 1.00 75.24 O ATOM 0 H TYR A 23 4.775 -7.939 17.322 1.00 34.44 H new ATOM 0 HA TYR A 23 6.338 -8.481 15.138 1.00 12.42 H new ATOM 0 HB2 TYR A 23 7.764 -9.520 16.644 1.00 4.14 H new ATOM 0 HB3 TYR A 23 6.791 -8.534 17.718 1.00 4.14 H new ATOM 0 HD1 TYR A 23 4.483 -9.843 18.462 1.00 63.51 H new ATOM 0 HD2 TYR A 23 8.162 -11.693 17.369 1.00 25.44 H new ATOM 0 HE1 TYR A 23 3.851 -11.848 19.731 1.00 22.35 H new ATOM 0 HE2 TYR A 23 7.531 -13.700 18.635 1.00 0.12 H new ATOM 0 HH TYR A 23 6.014 -14.686 19.902 1.00 75.24 H new ATOM 356 N ARG A 24 4.180 -10.856 15.688 1.00 42.33 N ATOM 357 CA ARG A 24 3.613 -12.086 15.150 1.00 71.32 C ATOM 358 C ARG A 24 3.115 -11.877 13.723 1.00 63.24 C ATOM 359 O ARG A 24 3.394 -12.682 12.834 1.00 3.43 O ATOM 360 CB ARG A 24 2.465 -12.573 16.035 1.00 34.34 C ATOM 361 CG ARG A 24 1.679 -13.727 15.434 1.00 33.11 C ATOM 362 CD ARG A 24 0.256 -13.313 15.092 1.00 61.45 C ATOM 363 NE ARG A 24 -0.167 -13.830 13.793 1.00 64.52 N ATOM 364 CZ ARG A 24 -1.438 -13.954 13.429 1.00 13.24 C ATOM 365 NH1 ARG A 24 -2.407 -13.599 14.262 1.00 3.24 N ATOM 366 NH2 ARG A 24 -1.743 -14.433 12.230 1.00 14.21 N ATOM 0 H ARG A 24 3.626 -10.424 16.427 1.00 42.33 H new ATOM 0 HA ARG A 24 4.398 -12.842 15.136 1.00 71.32 H new ATOM 0 HB2 ARG A 24 2.867 -12.882 17.000 1.00 34.34 H new ATOM 0 HB3 ARG A 24 1.786 -11.742 16.224 1.00 34.34 H new ATOM 0 HG2 ARG A 24 2.182 -14.082 14.535 1.00 33.11 H new ATOM 0 HG3 ARG A 24 1.658 -14.560 16.137 1.00 33.11 H new ATOM 0 HD2 ARG A 24 -0.422 -13.675 15.865 1.00 61.45 H new ATOM 0 HD3 ARG A 24 0.185 -12.225 15.090 1.00 61.45 H new ATOM 0 HE ARG A 24 0.554 -14.111 13.129 1.00 64.52 H new ATOM 0 HH11 ARG A 24 -2.177 -13.230 15.185 1.00 3.24 H new ATOM 0 HH12 ARG A 24 -3.383 -13.695 13.980 1.00 3.24 H new ATOM 0 HH21 ARG A 24 -1.001 -14.707 11.586 1.00 14.21 H new ATOM 0 HH22 ARG A 24 -2.720 -14.528 11.952 1.00 14.21 H new ATOM 380 N GLU A 25 2.377 -10.792 13.512 1.00 50.03 N ATOM 381 CA GLU A 25 1.840 -10.479 12.193 1.00 52.23 C ATOM 382 C GLU A 25 2.931 -9.932 11.277 1.00 71.14 C ATOM 383 O GLU A 25 2.846 -10.048 10.054 1.00 14.25 O ATOM 384 CB GLU A 25 0.701 -9.464 12.309 1.00 14.03 C ATOM 385 CG GLU A 25 1.147 -8.104 12.818 1.00 10.34 C ATOM 386 CD GLU A 25 0.124 -7.016 12.551 1.00 64.41 C ATOM 387 OE1 GLU A 25 -1.078 -7.342 12.466 1.00 34.11 O ATOM 388 OE2 GLU A 25 0.526 -5.841 12.426 1.00 3.13 O ATOM 0 H GLU A 25 2.137 -10.115 14.237 1.00 50.03 H new ATOM 0 HA GLU A 25 1.453 -11.401 11.759 1.00 52.23 H new ATOM 0 HB2 GLU A 25 0.234 -9.341 11.332 1.00 14.03 H new ATOM 0 HB3 GLU A 25 -0.061 -9.861 12.979 1.00 14.03 H new ATOM 0 HG2 GLU A 25 1.335 -8.165 13.890 1.00 10.34 H new ATOM 0 HG3 GLU A 25 2.091 -7.834 12.344 1.00 10.34 H new ATOM 395 N ALA A 26 3.956 -9.336 11.877 1.00 15.42 N ATOM 396 CA ALA A 26 5.064 -8.772 11.117 1.00 60.12 C ATOM 397 C ALA A 26 5.867 -9.867 10.423 1.00 31.42 C ATOM 398 O ALA A 26 6.139 -9.787 9.225 1.00 62.45 O ATOM 399 CB ALA A 26 5.965 -7.951 12.027 1.00 11.31 C ATOM 0 H ALA A 26 4.042 -9.231 12.888 1.00 15.42 H new ATOM 0 HA ALA A 26 4.650 -8.119 10.349 1.00 60.12 H new ATOM 0 HB1 ALA A 26 6.788 -7.536 11.446 1.00 11.31 H new ATOM 0 HB2 ALA A 26 5.390 -7.139 12.472 1.00 11.31 H new ATOM 0 HB3 ALA A 26 6.363 -8.589 12.816 1.00 11.31 H new ATOM 405 N LEU A 27 6.244 -10.889 11.183 1.00 21.34 N ATOM 406 CA LEU A 27 7.017 -12.002 10.642 1.00 42.43 C ATOM 407 C LEU A 27 6.198 -12.789 9.624 1.00 22.42 C ATOM 408 O LEU A 27 6.731 -13.284 8.631 1.00 25.40 O ATOM 409 CB LEU A 27 7.476 -12.927 11.770 1.00 3.31 C ATOM 410 CG LEU A 27 8.729 -12.488 12.530 1.00 70.44 C ATOM 411 CD1 LEU A 27 9.045 -13.469 13.648 1.00 1.34 C ATOM 412 CD2 LEU A 27 9.911 -12.361 11.580 1.00 42.11 C ATOM 0 H LEU A 27 6.027 -10.970 12.176 1.00 21.34 H new ATOM 0 HA LEU A 27 7.893 -11.593 10.138 1.00 42.43 H new ATOM 0 HB2 LEU A 27 6.659 -13.029 12.484 1.00 3.31 H new ATOM 0 HB3 LEU A 27 7.658 -13.916 11.350 1.00 3.31 H new ATOM 0 HG LEU A 27 8.538 -11.511 12.974 1.00 70.44 H new ATOM 0 HD11 LEU A 27 9.939 -13.141 14.178 1.00 1.34 H new ATOM 0 HD12 LEU A 27 8.206 -13.511 14.343 1.00 1.34 H new ATOM 0 HD13 LEU A 27 9.216 -14.459 13.226 1.00 1.34 H new ATOM 0 HD21 LEU A 27 10.794 -12.048 12.137 1.00 42.11 H new ATOM 0 HD22 LEU A 27 10.103 -13.324 11.107 1.00 42.11 H new ATOM 0 HD23 LEU A 27 9.684 -11.620 10.814 1.00 42.11 H new ATOM 424 N LYS A 28 4.899 -12.900 9.877 1.00 35.20 N ATOM 425 CA LYS A 28 4.004 -13.624 8.982 1.00 34.42 C ATOM 426 C LYS A 28 4.079 -13.064 7.566 1.00 45.42 C ATOM 427 O LYS A 28 4.099 -13.815 6.590 1.00 2.21 O ATOM 428 CB LYS A 28 2.564 -13.548 9.496 1.00 60.21 C ATOM 429 CG LYS A 28 1.797 -14.852 9.353 1.00 4.42 C ATOM 430 CD LYS A 28 1.345 -15.383 10.703 1.00 63.31 C ATOM 431 CE LYS A 28 2.316 -16.421 11.247 1.00 54.32 C ATOM 432 NZ LYS A 28 2.005 -16.786 12.657 1.00 53.53 N ATOM 0 H LYS A 28 4.442 -12.498 10.695 1.00 35.20 H new ATOM 0 HA LYS A 28 4.321 -14.667 8.958 1.00 34.42 H new ATOM 0 HB2 LYS A 28 2.577 -13.257 10.546 1.00 60.21 H new ATOM 0 HB3 LYS A 28 2.035 -12.764 8.955 1.00 60.21 H new ATOM 0 HG2 LYS A 28 0.929 -14.696 8.713 1.00 4.42 H new ATOM 0 HG3 LYS A 28 2.427 -15.594 8.861 1.00 4.42 H new ATOM 0 HD2 LYS A 28 1.259 -14.558 11.410 1.00 63.31 H new ATOM 0 HD3 LYS A 28 0.353 -15.825 10.608 1.00 63.31 H new ATOM 0 HE2 LYS A 28 2.279 -17.315 10.624 1.00 54.32 H new ATOM 0 HE3 LYS A 28 3.333 -16.033 11.188 1.00 54.32 H new ATOM 0 HZ1 LYS A 28 2.689 -17.495 12.991 1.00 53.53 H new ATOM 0 HZ2 LYS A 28 2.065 -15.938 13.256 1.00 53.53 H new ATOM 0 HZ3 LYS A 28 1.044 -17.180 12.710 1.00 53.53 H new ATOM 446 N HIS A 29 4.123 -11.739 7.460 1.00 62.20 N ATOM 447 CA HIS A 29 4.199 -11.078 6.162 1.00 23.11 C ATOM 448 C HIS A 29 5.578 -11.267 5.536 1.00 10.54 C ATOM 449 O HIS A 29 5.728 -11.224 4.315 1.00 12.31 O ATOM 450 CB HIS A 29 3.891 -9.587 6.307 1.00 64.44 C ATOM 451 CG HIS A 29 2.726 -9.134 5.483 1.00 51.15 C ATOM 452 ND1 HIS A 29 1.547 -8.677 6.033 1.00 4.42 N ATOM 453 CD2 HIS A 29 2.563 -9.067 4.140 1.00 21.44 C ATOM 454 CE1 HIS A 29 0.709 -8.350 5.066 1.00 63.24 C ATOM 455 NE2 HIS A 29 1.302 -8.577 3.907 1.00 33.41 N ATOM 0 H HIS A 29 4.107 -11.103 8.257 1.00 62.20 H new ATOM 0 HA HIS A 29 3.457 -11.532 5.506 1.00 23.11 H new ATOM 0 HB2 HIS A 29 3.692 -9.366 7.356 1.00 64.44 H new ATOM 0 HB3 HIS A 29 4.773 -9.013 6.022 1.00 64.44 H new ATOM 0 HD2 HIS A 29 3.290 -9.347 3.392 1.00 21.44 H new ATOM 0 HE1 HIS A 29 -0.290 -7.963 5.200 1.00 63.24 H new ATOM 0 HE2 HIS A 29 0.890 -8.414 2.988 1.00 33.41 H new ATOM 463 N PHE A 30 6.582 -11.474 6.381 1.00 25.52 N ATOM 464 CA PHE A 30 7.949 -11.668 5.911 1.00 3.41 C ATOM 465 C PHE A 30 8.093 -13.006 5.192 1.00 1.20 C ATOM 466 O PHE A 30 8.678 -13.083 4.111 1.00 50.13 O ATOM 467 CB PHE A 30 8.929 -11.598 7.084 1.00 22.32 C ATOM 468 CG PHE A 30 10.209 -10.884 6.755 1.00 60.52 C ATOM 469 CD1 PHE A 30 10.263 -9.500 6.745 1.00 53.02 C ATOM 470 CD2 PHE A 30 11.358 -11.598 6.456 1.00 45.14 C ATOM 471 CE1 PHE A 30 11.439 -8.841 6.441 1.00 11.23 C ATOM 472 CE2 PHE A 30 12.538 -10.944 6.152 1.00 72.23 C ATOM 473 CZ PHE A 30 12.578 -9.564 6.146 1.00 41.34 C ATOM 0 H PHE A 30 6.475 -11.512 7.395 1.00 25.52 H new ATOM 0 HA PHE A 30 8.180 -10.870 5.205 1.00 3.41 H new ATOM 0 HB2 PHE A 30 8.446 -11.094 7.921 1.00 22.32 H new ATOM 0 HB3 PHE A 30 9.162 -12.611 7.413 1.00 22.32 H new ATOM 0 HD1 PHE A 30 9.376 -8.929 6.977 1.00 53.02 H new ATOM 0 HD2 PHE A 30 11.332 -12.678 6.460 1.00 45.14 H new ATOM 0 HE1 PHE A 30 11.467 -7.761 6.434 1.00 11.23 H new ATOM 0 HE2 PHE A 30 13.427 -11.512 5.920 1.00 72.23 H new ATOM 0 HZ PHE A 30 13.499 -9.051 5.911 1.00 41.34 H new ATOM 483 N LEU A 31 7.556 -14.058 5.800 1.00 4.21 N ATOM 484 CA LEU A 31 7.624 -15.394 5.219 1.00 25.33 C ATOM 485 C LEU A 31 6.898 -15.443 3.879 1.00 62.31 C ATOM 486 O LEU A 31 7.369 -16.069 2.929 1.00 42.32 O ATOM 487 CB LEU A 31 7.018 -16.420 6.179 1.00 63.14 C ATOM 488 CG LEU A 31 7.943 -16.937 7.281 1.00 4.31 C ATOM 489 CD1 LEU A 31 7.133 -17.503 8.437 1.00 54.54 C ATOM 490 CD2 LEU A 31 8.895 -17.988 6.730 1.00 61.34 C ATOM 0 H LEU A 31 7.069 -14.012 6.695 1.00 4.21 H new ATOM 0 HA LEU A 31 8.673 -15.638 5.051 1.00 25.33 H new ATOM 0 HB2 LEU A 31 6.141 -15.975 6.648 1.00 63.14 H new ATOM 0 HB3 LEU A 31 6.670 -17.272 5.595 1.00 63.14 H new ATOM 0 HG LEU A 31 8.534 -16.100 7.654 1.00 4.31 H new ATOM 0 HD11 LEU A 31 7.809 -17.866 9.211 1.00 54.54 H new ATOM 0 HD12 LEU A 31 6.494 -16.723 8.850 1.00 54.54 H new ATOM 0 HD13 LEU A 31 6.515 -18.327 8.079 1.00 54.54 H new ATOM 0 HD21 LEU A 31 9.546 -18.344 7.529 1.00 61.34 H new ATOM 0 HD22 LEU A 31 8.322 -18.824 6.329 1.00 61.34 H new ATOM 0 HD23 LEU A 31 9.501 -17.550 5.937 1.00 61.34 H new ATOM 502 N ASP A 32 5.750 -14.778 3.809 1.00 24.14 N ATOM 503 CA ASP A 32 4.960 -14.743 2.584 1.00 2.33 C ATOM 504 C ASP A 32 5.639 -13.880 1.525 1.00 71.44 C ATOM 505 O ASP A 32 5.502 -14.128 0.327 1.00 22.13 O ATOM 506 CB ASP A 32 3.557 -14.208 2.873 1.00 54.24 C ATOM 507 CG ASP A 32 2.625 -14.358 1.686 1.00 34.55 C ATOM 508 OD1 ASP A 32 2.167 -15.492 1.431 1.00 34.25 O ATOM 509 OD2 ASP A 32 2.352 -13.343 1.014 1.00 44.54 O ATOM 0 H ASP A 32 5.346 -14.256 4.586 1.00 24.14 H new ATOM 0 HA ASP A 32 4.881 -15.761 2.202 1.00 2.33 H new ATOM 0 HB2 ASP A 32 3.139 -14.737 3.729 1.00 54.24 H new ATOM 0 HB3 ASP A 32 3.622 -13.156 3.150 1.00 54.24 H new ATOM 514 N GLY A 33 6.371 -12.865 1.974 1.00 35.33 N ATOM 515 CA GLY A 33 7.058 -11.981 1.052 1.00 4.10 C ATOM 516 C GLY A 33 8.349 -12.580 0.528 1.00 54.41 C ATOM 517 O GLY A 33 8.712 -12.373 -0.629 1.00 73.33 O ATOM 0 H GLY A 33 6.500 -12.640 2.960 1.00 35.33 H new ATOM 0 HA2 GLY A 33 6.400 -11.753 0.213 1.00 4.10 H new ATOM 0 HA3 GLY A 33 7.276 -11.037 1.552 1.00 4.10 H new ATOM 521 N GLY A 34 9.045 -13.323 1.383 1.00 74.02 N ATOM 522 CA GLY A 34 10.295 -13.940 0.981 1.00 21.55 C ATOM 523 C GLY A 34 10.132 -14.856 -0.216 1.00 12.23 C ATOM 524 O GLY A 34 10.945 -14.831 -1.139 1.00 21.13 O ATOM 0 H GLY A 34 8.766 -13.508 2.346 1.00 74.02 H new ATOM 0 HA2 GLY A 34 11.020 -13.162 0.743 1.00 21.55 H new ATOM 0 HA3 GLY A 34 10.701 -14.509 1.817 1.00 21.55 H new ATOM 528 N GLU A 35 9.078 -15.667 -0.200 1.00 5.35 N ATOM 529 CA GLU A 35 8.814 -16.596 -1.292 1.00 13.23 C ATOM 530 C GLU A 35 8.835 -15.875 -2.637 1.00 13.25 C ATOM 531 O GLU A 35 9.139 -16.472 -3.668 1.00 64.42 O ATOM 532 CB GLU A 35 7.461 -17.283 -1.090 1.00 44.30 C ATOM 533 CG GLU A 35 7.394 -18.137 0.165 1.00 71.24 C ATOM 534 CD GLU A 35 7.453 -19.622 -0.137 1.00 21.11 C ATOM 535 OE1 GLU A 35 6.388 -20.217 -0.400 1.00 74.54 O ATOM 536 OE2 GLU A 35 8.566 -20.188 -0.110 1.00 31.44 O ATOM 0 H GLU A 35 8.394 -15.699 0.556 1.00 5.35 H new ATOM 0 HA GLU A 35 9.601 -17.351 -1.292 1.00 13.23 H new ATOM 0 HB2 GLU A 35 6.680 -16.524 -1.045 1.00 44.30 H new ATOM 0 HB3 GLU A 35 7.247 -17.908 -1.957 1.00 44.30 H new ATOM 0 HG2 GLU A 35 8.219 -17.871 0.826 1.00 71.24 H new ATOM 0 HG3 GLU A 35 6.472 -17.915 0.702 1.00 71.24 H new ATOM 543 N MET A 36 8.508 -14.587 -2.616 1.00 10.32 N ATOM 544 CA MET A 36 8.490 -13.784 -3.833 1.00 12.31 C ATOM 545 C MET A 36 9.840 -13.838 -4.540 1.00 42.12 C ATOM 546 O MET A 36 9.917 -13.704 -5.762 1.00 31.21 O ATOM 547 CB MET A 36 8.130 -12.333 -3.507 1.00 15.00 C ATOM 548 CG MET A 36 6.795 -12.184 -2.794 1.00 42.54 C ATOM 549 SD MET A 36 5.389 -12.348 -3.911 1.00 42.42 S ATOM 550 CE MET A 36 5.383 -10.733 -4.688 1.00 23.55 C ATOM 0 H MET A 36 8.252 -14.077 -1.770 1.00 10.32 H new ATOM 0 HA MET A 36 7.734 -14.198 -4.500 1.00 12.31 H new ATOM 0 HB2 MET A 36 8.915 -11.903 -2.885 1.00 15.00 H new ATOM 0 HB3 MET A 36 8.105 -11.757 -4.432 1.00 15.00 H new ATOM 0 HG2 MET A 36 6.721 -12.937 -2.009 1.00 42.54 H new ATOM 0 HG3 MET A 36 6.755 -11.210 -2.306 1.00 42.54 H new ATOM 0 HE1 MET A 36 4.402 -10.274 -4.566 1.00 23.55 H new ATOM 0 HE2 MET A 36 6.140 -10.102 -4.222 1.00 23.55 H new ATOM 0 HE3 MET A 36 5.604 -10.839 -5.750 1.00 23.55 H new ATOM 560 N ILE A 37 10.901 -14.034 -3.765 1.00 65.23 N ATOM 561 CA ILE A 37 12.248 -14.107 -4.319 1.00 10.42 C ATOM 562 C ILE A 37 12.525 -15.484 -4.911 1.00 64.03 C ATOM 563 O ILE A 37 13.367 -15.633 -5.797 1.00 5.30 O ATOM 564 CB ILE A 37 13.313 -13.796 -3.251 1.00 1.43 C ATOM 565 CG1 ILE A 37 14.616 -13.345 -3.915 1.00 12.44 C ATOM 566 CG2 ILE A 37 13.554 -15.014 -2.372 1.00 61.24 C ATOM 567 CD1 ILE A 37 15.600 -12.719 -2.951 1.00 52.21 C ATOM 0 H ILE A 37 10.855 -14.145 -2.752 1.00 65.23 H new ATOM 0 HA ILE A 37 12.306 -13.357 -5.108 1.00 10.42 H new ATOM 0 HB ILE A 37 12.948 -12.985 -2.621 1.00 1.43 H new ATOM 0 HG12 ILE A 37 15.086 -14.203 -4.395 1.00 12.44 H new ATOM 0 HG13 ILE A 37 14.384 -12.627 -4.702 1.00 12.44 H new ATOM 0 HG21 ILE A 37 14.309 -14.778 -1.622 1.00 61.24 H new ATOM 0 HG22 ILE A 37 12.625 -15.294 -1.875 1.00 61.24 H new ATOM 0 HG23 ILE A 37 13.901 -15.844 -2.988 1.00 61.24 H new ATOM 0 HD11 ILE A 37 16.500 -12.423 -3.490 1.00 52.21 H new ATOM 0 HD12 ILE A 37 15.149 -11.841 -2.489 1.00 52.21 H new ATOM 0 HD13 ILE A 37 15.861 -13.441 -2.178 1.00 52.21 H new ATOM 579 N VAL A 38 11.810 -16.490 -4.418 1.00 10.35 N ATOM 580 CA VAL A 38 11.977 -17.855 -4.900 1.00 35.51 C ATOM 581 C VAL A 38 11.455 -18.002 -6.325 1.00 21.40 C ATOM 582 O VAL A 38 12.063 -18.681 -7.154 1.00 53.20 O ATOM 583 CB VAL A 38 11.248 -18.864 -3.992 1.00 21.11 C ATOM 584 CG1 VAL A 38 11.440 -20.282 -4.507 1.00 61.32 C ATOM 585 CG2 VAL A 38 11.737 -18.739 -2.557 1.00 4.40 C ATOM 0 H VAL A 38 11.109 -16.385 -3.684 1.00 10.35 H new ATOM 0 HA VAL A 38 13.046 -18.068 -4.883 1.00 35.51 H new ATOM 0 HB VAL A 38 10.182 -18.638 -4.010 1.00 21.11 H new ATOM 0 HG11 VAL A 38 10.918 -20.980 -3.853 1.00 61.32 H new ATOM 0 HG12 VAL A 38 11.037 -20.360 -5.517 1.00 61.32 H new ATOM 0 HG13 VAL A 38 12.503 -20.523 -4.521 1.00 61.32 H new ATOM 0 HG21 VAL A 38 11.212 -19.459 -1.930 1.00 4.40 H new ATOM 0 HG22 VAL A 38 12.808 -18.938 -2.519 1.00 4.40 H new ATOM 0 HG23 VAL A 38 11.542 -17.730 -2.193 1.00 4.40 H new ATOM 595 N THR A 39 10.324 -17.361 -6.605 1.00 25.42 N ATOM 596 CA THR A 39 9.720 -17.421 -7.930 1.00 10.25 C ATOM 597 C THR A 39 10.739 -17.089 -9.014 1.00 74.11 C ATOM 598 O THR A 39 10.644 -17.580 -10.139 1.00 12.33 O ATOM 599 CB THR A 39 8.528 -16.452 -8.047 1.00 61.11 C ATOM 600 OG1 THR A 39 7.736 -16.787 -9.192 1.00 12.11 O ATOM 601 CG2 THR A 39 9.009 -15.013 -8.160 1.00 61.41 C ATOM 0 H THR A 39 9.808 -16.795 -5.932 1.00 25.42 H new ATOM 0 HA THR A 39 9.365 -18.442 -8.070 1.00 10.25 H new ATOM 0 HB THR A 39 7.922 -16.546 -7.146 1.00 61.11 H new ATOM 0 HG1 THR A 39 6.979 -16.168 -9.259 1.00 12.11 H new ATOM 0 HG21 THR A 39 8.150 -14.347 -8.241 1.00 61.41 H new ATOM 0 HG22 THR A 39 9.587 -14.752 -7.274 1.00 61.41 H new ATOM 0 HG23 THR A 39 9.635 -14.907 -9.046 1.00 61.41 H new ATOM 609 N ALA A 40 11.713 -16.254 -8.669 1.00 10.03 N ATOM 610 CA ALA A 40 12.751 -15.859 -9.613 1.00 21.24 C ATOM 611 C ALA A 40 13.767 -16.979 -9.812 1.00 32.04 C ATOM 612 O ALA A 40 14.238 -17.212 -10.924 1.00 73.24 O ATOM 613 CB ALA A 40 13.446 -14.593 -9.134 1.00 53.11 C ATOM 0 H ALA A 40 11.805 -15.838 -7.742 1.00 10.03 H new ATOM 0 HA ALA A 40 12.277 -15.659 -10.574 1.00 21.24 H new ATOM 0 HB1 ALA A 40 14.219 -14.310 -9.849 1.00 53.11 H new ATOM 0 HB2 ALA A 40 12.717 -13.787 -9.050 1.00 53.11 H new ATOM 0 HB3 ALA A 40 13.901 -14.774 -8.160 1.00 53.11 H new ATOM 619 N ALA A 41 14.101 -17.669 -8.726 1.00 13.43 N ATOM 620 CA ALA A 41 15.060 -18.765 -8.782 1.00 12.22 C ATOM 621 C ALA A 41 14.439 -20.005 -9.416 1.00 23.21 C ATOM 622 O ALA A 41 15.109 -20.747 -10.133 1.00 63.04 O ATOM 623 CB ALA A 41 15.577 -19.085 -7.387 1.00 62.33 C ATOM 0 H ALA A 41 13.721 -17.488 -7.797 1.00 13.43 H new ATOM 0 HA ALA A 41 15.898 -18.452 -9.405 1.00 12.22 H new ATOM 0 HB1 ALA A 41 16.292 -19.905 -7.443 1.00 62.33 H new ATOM 0 HB2 ALA A 41 16.066 -18.205 -6.970 1.00 62.33 H new ATOM 0 HB3 ALA A 41 14.743 -19.374 -6.747 1.00 62.33 H new ATOM 629 N GLU A 42 13.156 -20.224 -9.145 1.00 42.32 N ATOM 630 CA GLU A 42 12.447 -21.376 -9.689 1.00 1.10 C ATOM 631 C GLU A 42 12.300 -21.259 -11.203 1.00 71.24 C ATOM 632 O GLU A 42 12.669 -22.169 -11.947 1.00 11.32 O ATOM 633 CB GLU A 42 11.068 -21.507 -9.040 1.00 55.51 C ATOM 634 CG GLU A 42 11.120 -21.741 -7.540 1.00 4.43 C ATOM 635 CD GLU A 42 9.979 -22.608 -7.044 1.00 4.40 C ATOM 636 OE1 GLU A 42 8.828 -22.123 -7.034 1.00 22.24 O ATOM 637 OE2 GLU A 42 10.237 -23.770 -6.666 1.00 41.44 O ATOM 0 H GLU A 42 12.587 -19.619 -8.553 1.00 42.32 H new ATOM 0 HA GLU A 42 13.032 -22.269 -9.466 1.00 1.10 H new ATOM 0 HB2 GLU A 42 10.495 -20.601 -9.238 1.00 55.51 H new ATOM 0 HB3 GLU A 42 10.532 -22.332 -9.509 1.00 55.51 H new ATOM 0 HG2 GLU A 42 12.068 -22.213 -7.283 1.00 4.43 H new ATOM 0 HG3 GLU A 42 11.092 -20.781 -7.025 1.00 4.43 H new ATOM 644 N LYS A 43 11.757 -20.133 -11.654 1.00 62.20 N ATOM 645 CA LYS A 43 11.561 -19.895 -13.079 1.00 13.20 C ATOM 646 C LYS A 43 12.895 -19.888 -13.819 1.00 33.54 C ATOM 647 O LYS A 43 12.943 -20.097 -15.030 1.00 62.13 O ATOM 648 CB LYS A 43 10.837 -18.565 -13.299 1.00 51.44 C ATOM 649 CG LYS A 43 9.381 -18.724 -13.703 1.00 2.33 C ATOM 650 CD LYS A 43 8.443 -18.307 -12.582 1.00 24.31 C ATOM 651 CE LYS A 43 7.056 -18.902 -12.766 1.00 53.05 C ATOM 652 NZ LYS A 43 6.075 -18.333 -11.801 1.00 4.22 N ATOM 0 H LYS A 43 11.445 -19.371 -11.053 1.00 62.20 H new ATOM 0 HA LYS A 43 10.950 -20.705 -13.477 1.00 13.20 H new ATOM 0 HB2 LYS A 43 10.889 -17.977 -12.383 1.00 51.44 H new ATOM 0 HB3 LYS A 43 11.360 -18.000 -14.071 1.00 51.44 H new ATOM 0 HG2 LYS A 43 9.180 -18.122 -14.589 1.00 2.33 H new ATOM 0 HG3 LYS A 43 9.188 -19.762 -13.973 1.00 2.33 H new ATOM 0 HD2 LYS A 43 8.853 -18.628 -11.624 1.00 24.31 H new ATOM 0 HD3 LYS A 43 8.372 -17.220 -12.551 1.00 24.31 H new ATOM 0 HE2 LYS A 43 6.713 -18.716 -13.784 1.00 53.05 H new ATOM 0 HE3 LYS A 43 7.105 -19.983 -12.639 1.00 53.05 H new ATOM 0 HZ1 LYS A 43 5.142 -18.764 -11.959 1.00 4.22 H new ATOM 0 HZ2 LYS A 43 6.388 -18.532 -10.829 1.00 4.22 H new ATOM 0 HZ3 LYS A 43 6.009 -17.304 -11.939 1.00 4.22 H new ATOM 666 N GLU A 44 13.974 -19.649 -13.081 1.00 24.22 N ATOM 667 CA GLU A 44 15.309 -19.617 -13.668 1.00 55.13 C ATOM 668 C GLU A 44 16.045 -20.930 -13.419 1.00 73.11 C ATOM 669 O GLU A 44 15.485 -21.871 -12.857 1.00 52.21 O ATOM 670 CB GLU A 44 16.115 -18.450 -13.094 1.00 30.44 C ATOM 671 CG GLU A 44 15.598 -17.086 -13.517 1.00 52.11 C ATOM 672 CD GLU A 44 15.632 -16.890 -15.020 1.00 40.24 C ATOM 673 OE1 GLU A 44 16.411 -17.598 -15.693 1.00 0.33 O ATOM 674 OE2 GLU A 44 14.881 -16.029 -15.524 1.00 73.23 O ATOM 0 H GLU A 44 13.950 -19.475 -12.076 1.00 24.22 H new ATOM 0 HA GLU A 44 15.201 -19.480 -14.744 1.00 55.13 H new ATOM 0 HB2 GLU A 44 16.103 -18.512 -12.006 1.00 30.44 H new ATOM 0 HB3 GLU A 44 17.154 -18.548 -13.408 1.00 30.44 H new ATOM 0 HG2 GLU A 44 14.575 -16.963 -13.161 1.00 52.11 H new ATOM 0 HG3 GLU A 44 16.197 -16.310 -13.040 1.00 52.11 H new ATOM 681 N ALA A 45 17.303 -20.986 -13.842 1.00 44.52 N ATOM 682 CA ALA A 45 18.117 -22.182 -13.664 1.00 41.41 C ATOM 683 C ALA A 45 19.538 -21.960 -14.172 1.00 53.23 C ATOM 684 O ALA A 45 19.743 -21.362 -15.229 1.00 30.42 O ATOM 685 CB ALA A 45 17.479 -23.365 -14.376 1.00 33.21 C ATOM 0 H ALA A 45 17.781 -20.217 -14.311 1.00 44.52 H new ATOM 0 HA ALA A 45 18.170 -22.400 -12.597 1.00 41.41 H new ATOM 0 HB1 ALA A 45 18.097 -24.251 -14.235 1.00 33.21 H new ATOM 0 HB2 ALA A 45 16.486 -23.546 -13.964 1.00 33.21 H new ATOM 0 HB3 ALA A 45 17.395 -23.147 -15.441 1.00 33.21 H new ATOM 691 N SER A 46 20.515 -22.444 -13.413 1.00 63.10 N ATOM 692 CA SER A 46 21.917 -22.295 -13.785 1.00 4.54 C ATOM 693 C SER A 46 22.298 -20.821 -13.888 1.00 54.44 C ATOM 694 O SER A 46 23.214 -20.456 -14.624 1.00 70.14 O ATOM 695 CB SER A 46 22.192 -22.999 -15.115 1.00 3.33 C ATOM 696 OG SER A 46 23.560 -23.349 -15.233 1.00 43.32 O ATOM 0 H SER A 46 20.362 -22.943 -12.537 1.00 63.10 H new ATOM 0 HA SER A 46 22.525 -22.756 -13.006 1.00 4.54 H new ATOM 0 HB2 SER A 46 21.576 -23.895 -15.190 1.00 3.33 H new ATOM 0 HB3 SER A 46 21.908 -22.347 -15.941 1.00 3.33 H new ATOM 0 HG SER A 46 24.115 -22.557 -15.073 1.00 43.32 H new ATOM 702 N GLN A 47 21.586 -19.979 -13.146 1.00 1.24 N ATOM 703 CA GLN A 47 21.848 -18.544 -13.154 1.00 70.43 C ATOM 704 C GLN A 47 22.691 -18.138 -11.950 1.00 15.41 C ATOM 705 O GLN A 47 22.569 -18.716 -10.870 1.00 24.11 O ATOM 706 CB GLN A 47 20.532 -17.764 -13.158 1.00 62.42 C ATOM 707 CG GLN A 47 20.644 -16.386 -13.789 1.00 50.20 C ATOM 708 CD GLN A 47 20.327 -16.395 -15.271 1.00 53.04 C ATOM 709 OE1 GLN A 47 21.194 -16.666 -16.102 1.00 64.01 O ATOM 710 NE2 GLN A 47 19.078 -16.098 -15.612 1.00 30.13 N ATOM 0 H GLN A 47 20.824 -20.265 -12.532 1.00 1.24 H new ATOM 0 HA GLN A 47 22.405 -18.307 -14.060 1.00 70.43 H new ATOM 0 HB2 GLN A 47 19.779 -18.341 -13.695 1.00 62.42 H new ATOM 0 HB3 GLN A 47 20.179 -17.657 -12.132 1.00 62.42 H new ATOM 0 HG2 GLN A 47 19.965 -15.702 -13.280 1.00 50.20 H new ATOM 0 HG3 GLN A 47 21.654 -16.003 -13.640 1.00 50.20 H new ATOM 0 HE21 GLN A 47 18.391 -15.879 -14.891 1.00 30.13 H new ATOM 0 HE22 GLN A 47 18.806 -16.089 -16.595 1.00 30.13 H new ATOM 719 N LYS A 48 23.545 -17.139 -12.142 1.00 42.34 N ATOM 720 CA LYS A 48 24.408 -16.653 -11.072 1.00 43.44 C ATOM 721 C LYS A 48 23.592 -15.949 -9.993 1.00 5.14 C ATOM 722 O LYS A 48 23.888 -16.064 -8.803 1.00 43.21 O ATOM 723 CB LYS A 48 25.463 -15.696 -11.634 1.00 73.53 C ATOM 724 CG LYS A 48 26.150 -16.216 -12.886 1.00 14.25 C ATOM 725 CD LYS A 48 27.625 -15.852 -12.903 1.00 71.44 C ATOM 726 CE LYS A 48 27.980 -15.024 -14.129 1.00 21.32 C ATOM 727 NZ LYS A 48 28.258 -15.880 -15.315 1.00 73.33 N ATOM 0 H LYS A 48 23.658 -16.649 -13.030 1.00 42.34 H new ATOM 0 HA LYS A 48 24.907 -17.512 -10.624 1.00 43.44 H new ATOM 0 HB2 LYS A 48 24.991 -14.740 -11.859 1.00 73.53 H new ATOM 0 HB3 LYS A 48 26.215 -15.508 -10.868 1.00 73.53 H new ATOM 0 HG2 LYS A 48 26.041 -17.299 -12.939 1.00 14.25 H new ATOM 0 HG3 LYS A 48 25.662 -15.803 -13.769 1.00 14.25 H new ATOM 0 HD2 LYS A 48 27.874 -15.293 -12.001 1.00 71.44 H new ATOM 0 HD3 LYS A 48 28.226 -16.761 -12.890 1.00 71.44 H new ATOM 0 HE2 LYS A 48 27.160 -14.343 -14.357 1.00 21.32 H new ATOM 0 HE3 LYS A 48 28.854 -14.410 -13.912 1.00 21.32 H new ATOM 0 HZ1 LYS A 48 28.496 -15.278 -16.129 1.00 73.33 H new ATOM 0 HZ2 LYS A 48 29.057 -16.513 -15.107 1.00 73.33 H new ATOM 0 HZ3 LYS A 48 27.416 -16.448 -15.538 1.00 73.33 H new ATOM 741 N VAL A 49 22.563 -15.221 -10.415 1.00 23.12 N ATOM 742 CA VAL A 49 21.703 -14.501 -9.484 1.00 1.14 C ATOM 743 C VAL A 49 20.724 -15.446 -8.797 1.00 75.11 C ATOM 744 O VAL A 49 20.354 -15.241 -7.641 1.00 0.02 O ATOM 745 CB VAL A 49 20.912 -13.388 -10.196 1.00 70.13 C ATOM 746 CG1 VAL A 49 21.860 -12.389 -10.843 1.00 75.52 C ATOM 747 CG2 VAL A 49 19.967 -13.984 -11.228 1.00 74.22 C ATOM 0 H VAL A 49 22.305 -15.114 -11.396 1.00 23.12 H new ATOM 0 HA VAL A 49 22.355 -14.051 -8.735 1.00 1.14 H new ATOM 0 HB VAL A 49 20.315 -12.858 -9.454 1.00 70.13 H new ATOM 0 HG11 VAL A 49 21.283 -11.610 -11.341 1.00 75.52 H new ATOM 0 HG12 VAL A 49 22.492 -11.939 -10.078 1.00 75.52 H new ATOM 0 HG13 VAL A 49 22.485 -12.902 -11.574 1.00 75.52 H new ATOM 0 HG21 VAL A 49 19.416 -13.184 -11.722 1.00 74.22 H new ATOM 0 HG22 VAL A 49 20.541 -14.540 -11.969 1.00 74.22 H new ATOM 0 HG23 VAL A 49 19.266 -14.656 -10.734 1.00 74.22 H new ATOM 757 N ARG A 50 20.307 -16.482 -9.517 1.00 73.51 N ATOM 758 CA ARG A 50 19.369 -17.460 -8.978 1.00 11.33 C ATOM 759 C ARG A 50 19.851 -17.990 -7.631 1.00 22.13 C ATOM 760 O ARG A 50 19.051 -18.260 -6.736 1.00 72.34 O ATOM 761 CB ARG A 50 19.187 -18.619 -9.959 1.00 31.22 C ATOM 762 CG ARG A 50 18.272 -19.717 -9.441 1.00 61.23 C ATOM 763 CD ARG A 50 18.920 -21.087 -9.566 1.00 24.13 C ATOM 764 NE ARG A 50 19.736 -21.415 -8.399 1.00 53.21 N ATOM 765 CZ ARG A 50 20.165 -22.641 -8.124 1.00 32.35 C ATOM 766 NH1 ARG A 50 19.858 -23.651 -8.927 1.00 2.43 N ATOM 767 NH2 ARG A 50 20.903 -22.860 -7.043 1.00 32.13 N ATOM 0 H ARG A 50 20.604 -16.666 -10.475 1.00 73.51 H new ATOM 0 HA ARG A 50 18.410 -16.964 -8.832 1.00 11.33 H new ATOM 0 HB2 ARG A 50 18.783 -18.232 -10.894 1.00 31.22 H new ATOM 0 HB3 ARG A 50 20.163 -19.048 -10.187 1.00 31.22 H new ATOM 0 HG2 ARG A 50 18.025 -19.524 -8.397 1.00 61.23 H new ATOM 0 HG3 ARG A 50 17.335 -19.704 -9.998 1.00 61.23 H new ATOM 0 HD2 ARG A 50 18.146 -21.844 -9.692 1.00 24.13 H new ATOM 0 HD3 ARG A 50 19.541 -21.114 -10.462 1.00 24.13 H new ATOM 0 HE ARG A 50 19.990 -20.661 -7.761 1.00 53.21 H new ATOM 0 HH11 ARG A 50 19.291 -23.487 -9.759 1.00 2.43 H new ATOM 0 HH12 ARG A 50 20.189 -24.592 -8.713 1.00 2.43 H new ATOM 0 HH21 ARG A 50 21.141 -22.086 -6.423 1.00 32.13 H new ATOM 0 HH22 ARG A 50 21.232 -23.802 -6.832 1.00 32.13 H new ATOM 781 N ASN A 51 21.165 -18.137 -7.494 1.00 41.24 N ATOM 782 CA ASN A 51 21.754 -18.636 -6.257 1.00 42.01 C ATOM 783 C ASN A 51 21.737 -17.561 -5.174 1.00 62.33 C ATOM 784 O ASN A 51 21.631 -17.864 -3.985 1.00 64.21 O ATOM 785 CB ASN A 51 23.190 -19.104 -6.504 1.00 34.50 C ATOM 786 CG ASN A 51 23.829 -19.688 -5.259 1.00 64.31 C ATOM 787 OD1 ASN A 51 23.150 -20.272 -4.414 1.00 64.45 O ATOM 788 ND2 ASN A 51 25.143 -19.532 -5.140 1.00 72.34 N ATOM 0 H ASN A 51 21.842 -17.918 -8.225 1.00 41.24 H new ATOM 0 HA ASN A 51 21.157 -19.481 -5.915 1.00 42.01 H new ATOM 0 HB2 ASN A 51 23.194 -19.852 -7.297 1.00 34.50 H new ATOM 0 HB3 ASN A 51 23.788 -18.263 -6.856 1.00 34.50 H new ATOM 0 HD21 ASN A 51 25.629 -19.903 -4.324 1.00 72.34 H new ATOM 0 HD22 ASN A 51 25.666 -19.041 -5.865 1.00 72.34 H new ATOM 795 N LEU A 52 21.841 -16.305 -5.594 1.00 25.23 N ATOM 796 CA LEU A 52 21.837 -15.184 -4.660 1.00 64.13 C ATOM 797 C LEU A 52 20.421 -14.876 -4.185 1.00 61.12 C ATOM 798 O LEU A 52 20.215 -14.450 -3.048 1.00 40.31 O ATOM 799 CB LEU A 52 22.448 -13.945 -5.318 1.00 33.10 C ATOM 800 CG LEU A 52 23.093 -12.932 -4.372 1.00 10.02 C ATOM 801 CD1 LEU A 52 24.220 -13.581 -3.583 1.00 52.30 C ATOM 802 CD2 LEU A 52 23.607 -11.729 -5.149 1.00 3.11 C ATOM 0 H LEU A 52 21.929 -16.037 -6.574 1.00 25.23 H new ATOM 0 HA LEU A 52 22.438 -15.462 -3.794 1.00 64.13 H new ATOM 0 HB2 LEU A 52 23.201 -14.273 -6.035 1.00 33.10 H new ATOM 0 HB3 LEU A 52 21.668 -13.437 -5.885 1.00 33.10 H new ATOM 0 HG LEU A 52 22.336 -12.588 -3.668 1.00 10.02 H new ATOM 0 HD11 LEU A 52 24.667 -12.845 -2.915 1.00 52.30 H new ATOM 0 HD12 LEU A 52 23.823 -14.410 -2.996 1.00 52.30 H new ATOM 0 HD13 LEU A 52 24.978 -13.954 -4.271 1.00 52.30 H new ATOM 0 HD21 LEU A 52 24.063 -11.018 -4.460 1.00 3.11 H new ATOM 0 HD22 LEU A 52 24.350 -12.056 -5.877 1.00 3.11 H new ATOM 0 HD23 LEU A 52 22.777 -11.250 -5.668 1.00 3.11 H new ATOM 814 N LEU A 53 19.448 -15.097 -5.062 1.00 13.41 N ATOM 815 CA LEU A 53 18.049 -14.845 -4.732 1.00 22.03 C ATOM 816 C LEU A 53 17.589 -15.745 -3.589 1.00 50.13 C ATOM 817 O LEU A 53 16.963 -15.283 -2.634 1.00 44.21 O ATOM 818 CB LEU A 53 17.166 -15.070 -5.960 1.00 42.44 C ATOM 819 CG LEU A 53 17.034 -13.885 -6.918 1.00 3.31 C ATOM 820 CD1 LEU A 53 17.506 -14.270 -8.312 1.00 15.33 C ATOM 821 CD2 LEU A 53 15.596 -13.388 -6.957 1.00 64.22 C ATOM 0 H LEU A 53 19.602 -15.450 -6.007 1.00 13.41 H new ATOM 0 HA LEU A 53 17.958 -13.807 -4.412 1.00 22.03 H new ATOM 0 HB2 LEU A 53 17.562 -15.919 -6.517 1.00 42.44 H new ATOM 0 HB3 LEU A 53 16.169 -15.349 -5.620 1.00 42.44 H new ATOM 0 HG LEU A 53 17.667 -13.076 -6.554 1.00 3.31 H new ATOM 0 HD11 LEU A 53 17.405 -13.414 -8.980 1.00 15.33 H new ATOM 0 HD12 LEU A 53 18.551 -14.576 -8.271 1.00 15.33 H new ATOM 0 HD13 LEU A 53 16.901 -15.096 -8.686 1.00 15.33 H new ATOM 0 HD21 LEU A 53 15.521 -12.545 -7.644 1.00 64.22 H new ATOM 0 HD22 LEU A 53 14.942 -14.192 -7.296 1.00 64.22 H new ATOM 0 HD23 LEU A 53 15.293 -13.071 -5.959 1.00 64.22 H new ATOM 833 N LEU A 54 17.904 -17.031 -3.693 1.00 22.23 N ATOM 834 CA LEU A 54 17.525 -17.997 -2.667 1.00 2.42 C ATOM 835 C LEU A 54 18.423 -17.869 -1.440 1.00 41.34 C ATOM 836 O LEU A 54 17.949 -17.901 -0.304 1.00 54.14 O ATOM 837 CB LEU A 54 17.603 -19.419 -3.224 1.00 31.22 C ATOM 838 CG LEU A 54 16.802 -19.686 -4.499 1.00 13.44 C ATOM 839 CD1 LEU A 54 17.357 -20.894 -5.235 1.00 61.44 C ATOM 840 CD2 LEU A 54 15.330 -19.889 -4.171 1.00 14.53 C ATOM 0 H LEU A 54 18.421 -17.429 -4.477 1.00 22.23 H new ATOM 0 HA LEU A 54 16.499 -17.787 -2.367 1.00 2.42 H new ATOM 0 HB2 LEU A 54 18.649 -19.654 -3.420 1.00 31.22 H new ATOM 0 HB3 LEU A 54 17.261 -20.109 -2.453 1.00 31.22 H new ATOM 0 HG LEU A 54 16.892 -18.817 -5.150 1.00 13.44 H new ATOM 0 HD11 LEU A 54 16.774 -21.068 -6.139 1.00 61.44 H new ATOM 0 HD12 LEU A 54 18.397 -20.710 -5.503 1.00 61.44 H new ATOM 0 HD13 LEU A 54 17.298 -21.771 -4.591 1.00 61.44 H new ATOM 0 HD21 LEU A 54 14.775 -20.078 -5.090 1.00 14.53 H new ATOM 0 HD22 LEU A 54 15.221 -20.741 -3.500 1.00 14.53 H new ATOM 0 HD23 LEU A 54 14.938 -18.994 -3.688 1.00 14.53 H new ATOM 852 N HIS A 55 19.723 -17.721 -1.678 1.00 33.44 N ATOM 853 CA HIS A 55 20.687 -17.585 -0.592 1.00 24.51 C ATOM 854 C HIS A 55 20.385 -16.351 0.252 1.00 0.00 C ATOM 855 O HIS A 55 20.353 -16.418 1.481 1.00 74.50 O ATOM 856 CB HIS A 55 22.108 -17.500 -1.151 1.00 53.23 C ATOM 857 CG HIS A 55 23.170 -17.518 -0.095 1.00 55.21 C ATOM 858 ND1 HIS A 55 23.579 -16.387 0.579 1.00 25.02 N ATOM 859 CD2 HIS A 55 23.905 -18.539 0.403 1.00 4.32 C ATOM 860 CE1 HIS A 55 24.523 -16.711 1.445 1.00 32.33 C ATOM 861 NE2 HIS A 55 24.739 -18.011 1.359 1.00 72.53 N ATOM 0 H HIS A 55 20.132 -17.692 -2.612 1.00 33.44 H new ATOM 0 HA HIS A 55 20.607 -18.466 0.044 1.00 24.51 H new ATOM 0 HB2 HIS A 55 22.272 -18.334 -1.833 1.00 53.23 H new ATOM 0 HB3 HIS A 55 22.205 -16.586 -1.736 1.00 53.23 H new ATOM 0 HD2 HIS A 55 23.847 -19.575 0.105 1.00 4.32 H new ATOM 0 HE1 HIS A 55 25.031 -16.029 2.110 1.00 32.33 H new ATOM 0 HE2 HIS A 55 25.415 -18.538 1.912 1.00 72.53 H new ATOM 869 N LYS A 56 20.165 -15.223 -0.415 1.00 72.44 N ATOM 870 CA LYS A 56 19.865 -13.973 0.272 1.00 54.01 C ATOM 871 C LYS A 56 18.439 -13.979 0.815 1.00 62.21 C ATOM 872 O LYS A 56 18.167 -13.423 1.878 1.00 40.54 O ATOM 873 CB LYS A 56 20.055 -12.787 -0.677 1.00 22.24 C ATOM 874 CG LYS A 56 21.482 -12.628 -1.173 1.00 31.33 C ATOM 875 CD LYS A 56 22.413 -12.181 -0.058 1.00 41.35 C ATOM 876 CE LYS A 56 23.861 -12.144 -0.523 1.00 30.20 C ATOM 877 NZ LYS A 56 24.120 -11.001 -1.441 1.00 43.12 N ATOM 0 H LYS A 56 20.189 -15.149 -1.432 1.00 72.44 H new ATOM 0 HA LYS A 56 20.554 -13.874 1.111 1.00 54.01 H new ATOM 0 HB2 LYS A 56 19.393 -12.908 -1.534 1.00 22.24 H new ATOM 0 HB3 LYS A 56 19.752 -11.872 -0.167 1.00 22.24 H new ATOM 0 HG2 LYS A 56 21.833 -13.575 -1.584 1.00 31.33 H new ATOM 0 HG3 LYS A 56 21.507 -11.900 -1.984 1.00 31.33 H new ATOM 0 HD2 LYS A 56 22.116 -11.192 0.291 1.00 41.35 H new ATOM 0 HD3 LYS A 56 22.319 -12.859 0.790 1.00 41.35 H new ATOM 0 HE2 LYS A 56 24.519 -12.070 0.343 1.00 30.20 H new ATOM 0 HE3 LYS A 56 24.104 -13.078 -1.029 1.00 30.20 H new ATOM 0 HZ1 LYS A 56 25.134 -10.961 -1.668 1.00 43.12 H new ATOM 0 HZ2 LYS A 56 23.574 -11.129 -2.317 1.00 43.12 H new ATOM 0 HZ3 LYS A 56 23.833 -10.114 -0.980 1.00 43.12 H new ATOM 891 N GLY A 57 17.533 -14.614 0.078 1.00 34.41 N ATOM 892 CA GLY A 57 16.147 -14.682 0.503 1.00 33.11 C ATOM 893 C GLY A 57 15.963 -15.524 1.750 1.00 22.21 C ATOM 894 O GLY A 57 15.118 -15.223 2.593 1.00 32.31 O ATOM 0 H GLY A 57 17.734 -15.082 -0.806 1.00 34.41 H new ATOM 0 HA2 GLY A 57 15.778 -13.674 0.692 1.00 33.11 H new ATOM 0 HA3 GLY A 57 15.543 -15.097 -0.304 1.00 33.11 H new ATOM 898 N LYS A 58 16.756 -16.584 1.868 1.00 33.12 N ATOM 899 CA LYS A 58 16.678 -17.474 3.021 1.00 55.23 C ATOM 900 C LYS A 58 17.335 -16.840 4.243 1.00 72.33 C ATOM 901 O LYS A 58 16.916 -17.076 5.375 1.00 31.04 O ATOM 902 CB LYS A 58 17.348 -18.812 2.704 1.00 64.40 C ATOM 903 CG LYS A 58 18.167 -19.370 3.856 1.00 50.15 C ATOM 904 CD LYS A 58 19.575 -18.799 3.867 1.00 40.13 C ATOM 905 CE LYS A 58 20.616 -19.877 3.605 1.00 12.23 C ATOM 906 NZ LYS A 58 20.596 -20.335 2.189 1.00 74.54 N ATOM 0 H LYS A 58 17.460 -16.848 1.179 1.00 33.12 H new ATOM 0 HA LYS A 58 15.625 -17.646 3.245 1.00 55.23 H new ATOM 0 HB2 LYS A 58 16.581 -19.537 2.430 1.00 64.40 H new ATOM 0 HB3 LYS A 58 17.995 -18.688 1.836 1.00 64.40 H new ATOM 0 HG2 LYS A 58 17.673 -19.140 4.800 1.00 50.15 H new ATOM 0 HG3 LYS A 58 18.214 -20.456 3.777 1.00 50.15 H new ATOM 0 HD2 LYS A 58 19.658 -18.019 3.110 1.00 40.13 H new ATOM 0 HD3 LYS A 58 19.771 -18.329 4.831 1.00 40.13 H new ATOM 0 HE2 LYS A 58 21.606 -19.492 3.848 1.00 12.23 H new ATOM 0 HE3 LYS A 58 20.433 -20.726 4.264 1.00 12.23 H new ATOM 0 HZ1 LYS A 58 20.693 -21.370 2.157 1.00 74.54 H new ATOM 0 HZ2 LYS A 58 19.696 -20.058 1.747 1.00 74.54 H new ATOM 0 HZ3 LYS A 58 21.385 -19.897 1.671 1.00 74.54 H new ATOM 920 N GLU A 59 18.365 -16.035 4.004 1.00 1.22 N ATOM 921 CA GLU A 59 19.079 -15.367 5.087 1.00 74.44 C ATOM 922 C GLU A 59 18.212 -14.284 5.723 1.00 62.22 C ATOM 923 O GLU A 59 17.987 -14.285 6.933 1.00 1.22 O ATOM 924 CB GLU A 59 20.381 -14.755 4.567 1.00 11.51 C ATOM 925 CG GLU A 59 21.546 -15.730 4.545 1.00 50.53 C ATOM 926 CD GLU A 59 22.116 -15.989 5.926 1.00 60.23 C ATOM 927 OE1 GLU A 59 22.176 -15.036 6.731 1.00 63.13 O ATOM 928 OE2 GLU A 59 22.502 -17.144 6.201 1.00 30.24 O ATOM 0 H GLU A 59 18.724 -15.829 3.072 1.00 1.22 H new ATOM 0 HA GLU A 59 19.315 -16.112 5.847 1.00 74.44 H new ATOM 0 HB2 GLU A 59 20.217 -14.376 3.558 1.00 11.51 H new ATOM 0 HB3 GLU A 59 20.645 -13.900 5.190 1.00 11.51 H new ATOM 0 HG2 GLU A 59 21.217 -16.673 4.109 1.00 50.53 H new ATOM 0 HG3 GLU A 59 22.332 -15.337 3.900 1.00 50.53 H new ATOM 935 N VAL A 60 17.729 -13.361 4.898 1.00 41.41 N ATOM 936 CA VAL A 60 16.887 -12.272 5.378 1.00 1.44 C ATOM 937 C VAL A 60 15.730 -12.801 6.218 1.00 51.11 C ATOM 938 O VAL A 60 15.266 -12.136 7.145 1.00 54.42 O ATOM 939 CB VAL A 60 16.322 -11.442 4.210 1.00 0.33 C ATOM 940 CG1 VAL A 60 17.451 -10.853 3.378 1.00 71.42 C ATOM 941 CG2 VAL A 60 15.401 -12.293 3.349 1.00 1.12 C ATOM 0 H VAL A 60 17.906 -13.346 3.894 1.00 41.41 H new ATOM 0 HA VAL A 60 17.518 -11.633 5.996 1.00 1.44 H new ATOM 0 HB VAL A 60 15.739 -10.618 4.621 1.00 0.33 H new ATOM 0 HG11 VAL A 60 17.032 -10.270 2.558 1.00 71.42 H new ATOM 0 HG12 VAL A 60 18.066 -10.208 4.005 1.00 71.42 H new ATOM 0 HG13 VAL A 60 18.064 -11.659 2.975 1.00 71.42 H new ATOM 0 HG21 VAL A 60 15.011 -11.691 2.529 1.00 1.12 H new ATOM 0 HG22 VAL A 60 15.958 -13.138 2.945 1.00 1.12 H new ATOM 0 HG23 VAL A 60 14.573 -12.661 3.955 1.00 1.12 H new ATOM 951 N LEU A 61 15.268 -14.002 5.888 1.00 23.13 N ATOM 952 CA LEU A 61 14.164 -14.623 6.613 1.00 45.25 C ATOM 953 C LEU A 61 14.625 -15.132 7.975 1.00 71.25 C ATOM 954 O LEU A 61 13.880 -15.076 8.953 1.00 43.45 O ATOM 955 CB LEU A 61 13.577 -15.775 5.796 1.00 31.32 C ATOM 956 CG LEU A 61 12.853 -15.384 4.507 1.00 22.22 C ATOM 957 CD1 LEU A 61 12.754 -16.576 3.568 1.00 64.12 C ATOM 958 CD2 LEU A 61 11.470 -14.832 4.819 1.00 72.22 C ATOM 0 H LEU A 61 15.640 -14.565 5.123 1.00 23.13 H new ATOM 0 HA LEU A 61 13.394 -13.868 6.771 1.00 45.25 H new ATOM 0 HB2 LEU A 61 14.384 -16.462 5.541 1.00 31.32 H new ATOM 0 HB3 LEU A 61 12.879 -16.324 6.429 1.00 31.32 H new ATOM 0 HG LEU A 61 13.430 -14.604 4.011 1.00 22.22 H new ATOM 0 HD11 LEU A 61 12.236 -16.279 2.656 1.00 64.12 H new ATOM 0 HD12 LEU A 61 13.755 -16.927 3.318 1.00 64.12 H new ATOM 0 HD13 LEU A 61 12.200 -17.378 4.055 1.00 64.12 H new ATOM 0 HD21 LEU A 61 10.969 -14.559 3.890 1.00 72.22 H new ATOM 0 HD22 LEU A 61 10.884 -15.591 5.338 1.00 72.22 H new ATOM 0 HD23 LEU A 61 11.565 -13.950 5.453 1.00 72.22 H new ATOM 970 N GLU A 62 15.857 -15.627 8.030 1.00 64.42 N ATOM 971 CA GLU A 62 16.417 -16.145 9.273 1.00 72.32 C ATOM 972 C GLU A 62 16.897 -15.007 10.169 1.00 64.32 C ATOM 973 O GLU A 62 16.901 -15.127 11.394 1.00 73.20 O ATOM 974 CB GLU A 62 17.575 -17.101 8.978 1.00 40.42 C ATOM 975 CG GLU A 62 17.133 -18.532 8.721 1.00 4.40 C ATOM 976 CD GLU A 62 18.303 -19.485 8.568 1.00 51.41 C ATOM 977 OE1 GLU A 62 18.767 -20.025 9.593 1.00 35.35 O ATOM 978 OE2 GLU A 62 18.754 -19.689 7.422 1.00 62.55 O ATOM 0 H GLU A 62 16.486 -15.680 7.229 1.00 64.42 H new ATOM 0 HA GLU A 62 15.631 -16.690 9.796 1.00 72.32 H new ATOM 0 HB2 GLU A 62 18.123 -16.737 8.109 1.00 40.42 H new ATOM 0 HB3 GLU A 62 18.268 -17.089 9.819 1.00 40.42 H new ATOM 0 HG2 GLU A 62 16.502 -18.867 9.544 1.00 4.40 H new ATOM 0 HG3 GLU A 62 16.523 -18.563 7.818 1.00 4.40 H new ATOM 985 N TRP A 63 17.303 -13.905 9.549 1.00 73.23 N ATOM 986 CA TRP A 63 17.786 -12.745 10.289 1.00 21.54 C ATOM 987 C TRP A 63 16.628 -11.981 10.921 1.00 72.31 C ATOM 988 O TRP A 63 16.677 -11.622 12.097 1.00 42.32 O ATOM 989 CB TRP A 63 18.581 -11.820 9.367 1.00 71.24 C ATOM 990 CG TRP A 63 19.141 -10.620 10.068 1.00 40.11 C ATOM 991 CD1 TRP A 63 18.730 -9.325 9.931 1.00 13.22 C ATOM 992 CD2 TRP A 63 20.216 -10.604 11.014 1.00 51.14 C ATOM 993 NE1 TRP A 63 19.484 -8.505 10.735 1.00 3.40 N ATOM 994 CE2 TRP A 63 20.402 -9.265 11.410 1.00 62.01 C ATOM 995 CE3 TRP A 63 21.038 -11.590 11.566 1.00 75.23 C ATOM 996 CZ2 TRP A 63 21.377 -8.891 12.331 1.00 52.51 C ATOM 997 CZ3 TRP A 63 22.005 -11.217 12.479 1.00 14.24 C ATOM 998 CH2 TRP A 63 22.167 -9.877 12.855 1.00 3.24 C ATOM 0 H TRP A 63 17.307 -13.790 8.535 1.00 73.23 H new ATOM 0 HA TRP A 63 18.439 -13.101 11.086 1.00 21.54 H new ATOM 0 HB2 TRP A 63 19.399 -12.383 8.917 1.00 71.24 H new ATOM 0 HB3 TRP A 63 17.936 -11.488 8.553 1.00 71.24 H new ATOM 0 HD1 TRP A 63 17.930 -8.994 9.286 1.00 13.22 H new ATOM 0 HE1 TRP A 63 19.377 -7.494 10.816 1.00 3.40 H new ATOM 0 HE3 TRP A 63 20.919 -12.626 11.284 1.00 75.23 H new ATOM 0 HZ2 TRP A 63 21.505 -7.859 12.621 1.00 52.51 H new ATOM 0 HZ3 TRP A 63 22.647 -11.971 12.910 1.00 14.24 H new ATOM 0 HH2 TRP A 63 22.931 -9.617 13.573 1.00 3.24 H new ATOM 1009 N ALA A 64 15.586 -11.737 10.133 1.00 41.43 N ATOM 1010 CA ALA A 64 14.414 -11.017 10.616 1.00 5.03 C ATOM 1011 C ALA A 64 13.837 -11.681 11.862 1.00 65.53 C ATOM 1012 O ALA A 64 13.281 -11.012 12.732 1.00 63.25 O ATOM 1013 CB ALA A 64 13.359 -10.932 9.524 1.00 71.22 C ATOM 0 H ALA A 64 15.530 -12.028 9.157 1.00 41.43 H new ATOM 0 HA ALA A 64 14.724 -10.007 10.885 1.00 5.03 H new ATOM 0 HB1 ALA A 64 12.490 -10.392 9.899 1.00 71.22 H new ATOM 0 HB2 ALA A 64 13.769 -10.406 8.662 1.00 71.22 H new ATOM 0 HB3 ALA A 64 13.061 -11.938 9.227 1.00 71.22 H new ATOM 1019 N GLU A 65 13.973 -13.002 11.939 1.00 4.43 N ATOM 1020 CA GLU A 65 13.463 -13.756 13.078 1.00 4.34 C ATOM 1021 C GLU A 65 14.369 -13.583 14.294 1.00 21.35 C ATOM 1022 O GLU A 65 13.935 -13.749 15.435 1.00 74.43 O ATOM 1023 CB GLU A 65 13.344 -15.239 12.724 1.00 71.40 C ATOM 1024 CG GLU A 65 12.190 -15.550 11.785 1.00 1.04 C ATOM 1025 CD GLU A 65 11.531 -16.881 12.092 1.00 40.24 C ATOM 1026 OE1 GLU A 65 12.262 -17.873 12.292 1.00 72.30 O ATOM 1027 OE2 GLU A 65 10.284 -16.929 12.131 1.00 74.21 O ATOM 0 H GLU A 65 14.431 -13.571 11.227 1.00 4.43 H new ATOM 0 HA GLU A 65 12.474 -13.369 13.325 1.00 4.34 H new ATOM 0 HB2 GLU A 65 14.275 -15.570 12.264 1.00 71.40 H new ATOM 0 HB3 GLU A 65 13.220 -15.814 13.642 1.00 71.40 H new ATOM 0 HG2 GLU A 65 11.446 -14.756 11.854 1.00 1.04 H new ATOM 0 HG3 GLU A 65 12.554 -15.557 10.758 1.00 1.04 H new ATOM 1034 N HIS A 66 15.631 -13.250 14.043 1.00 51.33 N ATOM 1035 CA HIS A 66 16.599 -13.055 15.116 1.00 11.42 C ATOM 1036 C HIS A 66 16.251 -11.821 15.944 1.00 44.35 C ATOM 1037 O HIS A 66 16.122 -11.896 17.166 1.00 21.32 O ATOM 1038 CB HIS A 66 18.009 -12.917 14.541 1.00 10.13 C ATOM 1039 CG HIS A 66 18.967 -13.949 15.051 1.00 21.11 C ATOM 1040 ND1 HIS A 66 19.709 -13.784 16.202 1.00 73.31 N ATOM 1041 CD2 HIS A 66 19.302 -15.165 14.561 1.00 74.54 C ATOM 1042 CE1 HIS A 66 20.459 -14.854 16.396 1.00 2.13 C ATOM 1043 NE2 HIS A 66 20.231 -15.707 15.414 1.00 34.45 N ATOM 0 H HIS A 66 16.007 -13.110 13.105 1.00 51.33 H new ATOM 0 HA HIS A 66 16.564 -13.929 15.766 1.00 11.42 H new ATOM 0 HB2 HIS A 66 17.958 -12.986 13.454 1.00 10.13 H new ATOM 0 HB3 HIS A 66 18.394 -11.926 14.780 1.00 10.13 H new ATOM 0 HD2 HIS A 66 18.911 -15.624 13.665 1.00 74.54 H new ATOM 0 HE1 HIS A 66 21.143 -15.005 17.218 1.00 2.13 H new ATOM 0 HE2 HIS A 66 20.673 -16.620 15.307 1.00 34.45 H new ATOM 1051 N LEU A 67 16.102 -10.686 15.270 1.00 41.42 N ATOM 1052 CA LEU A 67 15.770 -9.435 15.943 1.00 41.54 C ATOM 1053 C LEU A 67 14.337 -9.460 16.463 1.00 14.20 C ATOM 1054 O LEU A 67 14.025 -8.845 17.482 1.00 12.42 O ATOM 1055 CB LEU A 67 15.957 -8.254 14.988 1.00 5.11 C ATOM 1056 CG LEU A 67 14.840 -8.031 13.968 1.00 20.44 C ATOM 1057 CD1 LEU A 67 13.836 -7.015 14.490 1.00 31.41 C ATOM 1058 CD2 LEU A 67 15.417 -7.578 12.635 1.00 0.44 C ATOM 0 H LEU A 67 16.206 -10.606 14.258 1.00 41.42 H new ATOM 0 HA LEU A 67 16.443 -9.318 16.792 1.00 41.54 H new ATOM 0 HB2 LEU A 67 16.066 -7.346 15.582 1.00 5.11 H new ATOM 0 HB3 LEU A 67 16.893 -8.395 14.447 1.00 5.11 H new ATOM 0 HG LEU A 67 14.321 -8.977 13.813 1.00 20.44 H new ATOM 0 HD11 LEU A 67 13.048 -6.869 13.751 1.00 31.41 H new ATOM 0 HD12 LEU A 67 13.399 -7.380 15.419 1.00 31.41 H new ATOM 0 HD13 LEU A 67 14.341 -6.067 14.675 1.00 31.41 H new ATOM 0 HD21 LEU A 67 14.607 -7.424 11.922 1.00 0.44 H new ATOM 0 HD22 LEU A 67 15.961 -6.644 12.773 1.00 0.44 H new ATOM 0 HD23 LEU A 67 16.096 -8.341 12.254 1.00 0.44 H new ATOM 1070 N ALA A 68 13.469 -10.177 15.757 1.00 72.30 N ATOM 1071 CA ALA A 68 12.069 -10.286 16.150 1.00 64.50 C ATOM 1072 C ALA A 68 11.930 -11.000 17.490 1.00 33.32 C ATOM 1073 O ALA A 68 11.058 -10.667 18.293 1.00 63.34 O ATOM 1074 CB ALA A 68 11.275 -11.015 15.076 1.00 20.33 C ATOM 0 H ALA A 68 13.710 -10.691 14.910 1.00 72.30 H new ATOM 0 HA ALA A 68 11.668 -9.278 16.261 1.00 64.50 H new ATOM 0 HB1 ALA A 68 10.232 -11.089 15.382 1.00 20.33 H new ATOM 0 HB2 ALA A 68 11.339 -10.463 14.138 1.00 20.33 H new ATOM 0 HB3 ALA A 68 11.684 -12.016 14.937 1.00 20.33 H new ATOM 1080 N GLU A 69 12.793 -11.983 17.725 1.00 62.52 N ATOM 1081 CA GLU A 69 12.764 -12.745 18.968 1.00 14.21 C ATOM 1082 C GLU A 69 13.474 -11.988 20.087 1.00 41.14 C ATOM 1083 O GLU A 69 13.239 -12.241 21.268 1.00 23.41 O ATOM 1084 CB GLU A 69 13.417 -14.114 18.769 1.00 33.22 C ATOM 1085 CG GLU A 69 12.540 -15.103 18.020 1.00 62.53 C ATOM 1086 CD GLU A 69 11.779 -16.029 18.949 1.00 65.52 C ATOM 1087 OE1 GLU A 69 12.423 -16.881 19.596 1.00 22.31 O ATOM 1088 OE2 GLU A 69 10.540 -15.901 19.028 1.00 33.54 O ATOM 0 H GLU A 69 13.521 -12.271 17.071 1.00 62.52 H new ATOM 0 HA GLU A 69 11.721 -12.886 19.253 1.00 14.21 H new ATOM 0 HB2 GLU A 69 14.352 -13.985 18.224 1.00 33.22 H new ATOM 0 HB3 GLU A 69 13.671 -14.531 19.743 1.00 33.22 H new ATOM 0 HG2 GLU A 69 11.831 -14.556 17.398 1.00 62.53 H new ATOM 0 HG3 GLU A 69 13.160 -15.697 17.349 1.00 62.53 H new ATOM 1095 N TRP A 70 14.343 -11.059 19.705 1.00 62.23 N ATOM 1096 CA TRP A 70 15.089 -10.266 20.675 1.00 52.50 C ATOM 1097 C TRP A 70 14.176 -9.776 21.794 1.00 24.11 C ATOM 1098 O TRP A 70 14.584 -9.707 22.954 1.00 62.00 O ATOM 1099 CB TRP A 70 15.755 -9.074 19.985 1.00 1.24 C ATOM 1100 CG TRP A 70 17.002 -8.610 20.675 1.00 43.30 C ATOM 1101 CD1 TRP A 70 17.095 -7.654 21.646 1.00 14.02 C ATOM 1102 CD2 TRP A 70 18.335 -9.080 20.444 1.00 13.11 C ATOM 1103 NE1 TRP A 70 18.404 -7.502 22.033 1.00 43.31 N ATOM 1104 CE2 TRP A 70 19.185 -8.366 21.311 1.00 13.41 C ATOM 1105 CE3 TRP A 70 18.892 -10.036 19.591 1.00 24.01 C ATOM 1106 CZ2 TRP A 70 20.560 -8.578 21.347 1.00 62.23 C ATOM 1107 CZ3 TRP A 70 20.258 -10.246 19.627 1.00 12.43 C ATOM 1108 CH2 TRP A 70 21.079 -9.520 20.501 1.00 62.24 C ATOM 0 H TRP A 70 14.548 -10.837 18.731 1.00 62.23 H new ATOM 0 HA TRP A 70 15.859 -10.901 21.112 1.00 52.50 H new ATOM 0 HB2 TRP A 70 15.997 -9.346 18.958 1.00 1.24 H new ATOM 0 HB3 TRP A 70 15.046 -8.248 19.937 1.00 1.24 H new ATOM 0 HD1 TRP A 70 16.261 -7.099 22.050 1.00 14.02 H new ATOM 0 HE1 TRP A 70 18.740 -6.851 22.743 1.00 43.31 H new ATOM 0 HE3 TRP A 70 18.267 -10.601 18.916 1.00 24.01 H new ATOM 0 HZ2 TRP A 70 21.195 -8.019 22.019 1.00 62.23 H new ATOM 0 HZ3 TRP A 70 20.700 -10.981 18.971 1.00 12.43 H new ATOM 0 HH2 TRP A 70 22.143 -9.708 20.507 1.00 62.24 H new ATOM 1119 N ILE A 71 12.941 -9.438 21.440 1.00 43.04 N ATOM 1120 CA ILE A 71 11.972 -8.956 22.416 1.00 73.45 C ATOM 1121 C ILE A 71 11.891 -9.891 23.618 1.00 43.02 C ATOM 1122 O ILE A 71 11.870 -9.444 24.765 1.00 0.14 O ATOM 1123 CB ILE A 71 10.570 -8.816 21.794 1.00 14.10 C ATOM 1124 CG1 ILE A 71 10.149 -10.128 21.128 1.00 3.21 C ATOM 1125 CG2 ILE A 71 10.548 -7.674 20.788 1.00 31.54 C ATOM 1126 CD1 ILE A 71 8.908 -10.001 20.273 1.00 12.12 C ATOM 0 H ILE A 71 12.588 -9.489 20.484 1.00 43.04 H new ATOM 0 HA ILE A 71 12.315 -7.975 22.744 1.00 73.45 H new ATOM 0 HB ILE A 71 9.858 -8.589 22.588 1.00 14.10 H new ATOM 0 HG12 ILE A 71 10.970 -10.492 20.510 1.00 3.21 H new ATOM 0 HG13 ILE A 71 9.974 -10.878 21.900 1.00 3.21 H new ATOM 0 HG21 ILE A 71 9.550 -7.588 20.357 1.00 31.54 H new ATOM 0 HG22 ILE A 71 10.808 -6.742 21.290 1.00 31.54 H new ATOM 0 HG23 ILE A 71 11.269 -7.873 19.996 1.00 31.54 H new ATOM 0 HD11 ILE A 71 8.669 -10.969 19.833 1.00 12.12 H new ATOM 0 HD12 ILE A 71 8.074 -9.667 20.890 1.00 12.12 H new ATOM 0 HD13 ILE A 71 9.086 -9.275 19.479 1.00 12.12 H new ATOM 1138 N LEU A 72 11.849 -11.191 23.348 1.00 54.13 N ATOM 1139 CA LEU A 72 11.773 -12.190 24.408 1.00 74.55 C ATOM 1140 C LEU A 72 13.107 -12.314 25.136 1.00 11.23 C ATOM 1141 O LEU A 72 13.148 -12.419 26.362 1.00 73.04 O ATOM 1142 CB LEU A 72 11.368 -13.547 23.828 1.00 33.01 C ATOM 1143 CG LEU A 72 10.118 -13.555 22.947 1.00 42.52 C ATOM 1144 CD1 LEU A 72 10.456 -14.042 21.546 1.00 35.34 C ATOM 1145 CD2 LEU A 72 9.032 -14.421 23.568 1.00 4.12 C ATOM 0 H LEU A 72 11.866 -11.578 22.404 1.00 54.13 H new ATOM 0 HA LEU A 72 11.018 -11.867 25.124 1.00 74.55 H new ATOM 0 HB2 LEU A 72 12.203 -13.933 23.243 1.00 33.01 H new ATOM 0 HB3 LEU A 72 11.210 -14.240 24.654 1.00 33.01 H new ATOM 0 HG LEU A 72 9.742 -12.535 22.874 1.00 42.52 H new ATOM 0 HD11 LEU A 72 9.555 -14.041 20.933 1.00 35.34 H new ATOM 0 HD12 LEU A 72 11.199 -13.380 21.100 1.00 35.34 H new ATOM 0 HD13 LEU A 72 10.857 -15.054 21.600 1.00 35.34 H new ATOM 0 HD21 LEU A 72 8.150 -14.414 22.927 1.00 4.12 H new ATOM 0 HD22 LEU A 72 9.397 -15.443 23.673 1.00 4.12 H new ATOM 0 HD23 LEU A 72 8.770 -14.027 24.550 1.00 4.12 H new ATOM 1157 N GLU A 73 14.196 -12.298 24.374 1.00 53.13 N ATOM 1158 CA GLU A 73 15.531 -12.407 24.948 1.00 5.43 C ATOM 1159 C GLU A 73 15.746 -11.352 26.030 1.00 10.01 C ATOM 1160 O GLU A 73 16.500 -11.565 26.980 1.00 34.54 O ATOM 1161 CB GLU A 73 16.594 -12.257 23.857 1.00 32.22 C ATOM 1162 CG GLU A 73 17.978 -12.711 24.289 1.00 30.41 C ATOM 1163 CD GLU A 73 18.751 -13.375 23.166 1.00 41.10 C ATOM 1164 OE1 GLU A 73 18.364 -14.491 22.759 1.00 44.41 O ATOM 1165 OE2 GLU A 73 19.742 -12.780 22.695 1.00 42.54 O ATOM 0 H GLU A 73 14.179 -12.211 23.358 1.00 53.13 H new ATOM 0 HA GLU A 73 15.623 -13.394 25.402 1.00 5.43 H new ATOM 0 HB2 GLU A 73 16.289 -12.832 22.983 1.00 32.22 H new ATOM 0 HB3 GLU A 73 16.643 -11.212 23.550 1.00 32.22 H new ATOM 0 HG2 GLU A 73 18.541 -11.852 24.654 1.00 30.41 H new ATOM 0 HG3 GLU A 73 17.884 -13.408 25.122 1.00 30.41 H new ATOM 1172 N HIS A 74 15.078 -10.213 25.878 1.00 3.42 N ATOM 1173 CA HIS A 74 15.195 -9.124 26.842 1.00 42.33 C ATOM 1174 C HIS A 74 16.658 -8.758 27.074 1.00 62.43 C ATOM 1175 O HIS A 74 17.062 -7.613 26.868 1.00 61.45 O ATOM 1176 CB HIS A 74 14.539 -9.514 28.166 1.00 14.12 C ATOM 1177 CG HIS A 74 13.623 -8.462 28.713 1.00 30.54 C ATOM 1178 ND1 HIS A 74 13.767 -7.921 29.973 1.00 12.13 N ATOM 1179 CD2 HIS A 74 12.548 -7.851 28.163 1.00 33.43 C ATOM 1180 CE1 HIS A 74 12.819 -7.024 30.175 1.00 14.53 C ATOM 1181 NE2 HIS A 74 12.066 -6.962 29.092 1.00 54.12 N ATOM 0 H HIS A 74 14.451 -10.020 25.097 1.00 3.42 H new ATOM 0 HA HIS A 74 14.682 -8.254 26.433 1.00 42.33 H new ATOM 0 HB2 HIS A 74 13.976 -10.437 28.025 1.00 14.12 H new ATOM 0 HB3 HIS A 74 15.317 -9.724 28.900 1.00 14.12 H new ATOM 0 HD2 HIS A 74 12.144 -8.029 27.177 1.00 33.43 H new ATOM 0 HE1 HIS A 74 12.683 -6.440 31.073 1.00 14.53 H new ATOM 0 HE2 HIS A 74 11.258 -6.353 28.966 1.00 54.12 H new TER 1189 HIS A 74