USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 599 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 15 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 17 THR OG1 : rot 3:sc= 0.936 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.339 (180deg=-1.56) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00392 USER MOD Single : A 39 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.4) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.39) USER MOD Single : A 58 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.794 K(o=0.79,f=-0.86) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 85 SER OG : rot 180:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.803 -8.926 3.764 1.00 0.00 N ATOM 2 CA MET A 1 0.374 -9.171 3.408 1.00 0.00 C ATOM 3 C MET A 1 -0.541 -8.112 4.029 1.00 0.00 C ATOM 4 O MET A 1 -1.630 -8.425 4.516 1.00 0.00 O ATOM 5 CB MET A 1 -0.026 -10.575 3.891 1.00 0.00 C ATOM 6 CG MET A 1 0.388 -10.881 5.324 1.00 0.00 C ATOM 7 SD MET A 1 0.248 -12.633 5.728 1.00 0.00 S ATOM 8 CE MET A 1 -0.354 -12.548 7.413 1.00 0.00 C ATOM 0 H1 MET A 1 2.331 -9.821 3.716 1.00 0.00 H new ATOM 0 H2 MET A 1 2.215 -8.244 3.096 1.00 0.00 H new ATOM 0 H3 MET A 1 1.859 -8.542 4.729 1.00 0.00 H new ATOM 0 HA MET A 1 0.262 -9.106 2.326 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.107 -10.682 3.806 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.421 -11.316 3.229 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.418 -10.558 5.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.233 -10.303 6.009 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.490 -13.557 7.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.369 -12.015 8.031 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.307 -12.020 7.433 1.00 0.00 H new ATOM 20 N GLU A 2 -0.088 -6.860 4.009 1.00 0.00 N ATOM 21 CA GLU A 2 -0.858 -5.752 4.567 1.00 0.00 C ATOM 22 C GLU A 2 -0.372 -4.415 4.010 1.00 0.00 C ATOM 23 O GLU A 2 0.638 -4.359 3.306 1.00 0.00 O ATOM 24 CB GLU A 2 -0.761 -5.755 6.097 1.00 0.00 C ATOM 25 CG GLU A 2 0.637 -6.055 6.619 1.00 0.00 C ATOM 26 CD GLU A 2 0.890 -5.461 7.995 1.00 0.00 C ATOM 27 OE1 GLU A 2 0.530 -4.284 8.216 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.448 -6.175 8.852 1.00 0.00 O ATOM 0 H GLU A 2 0.811 -6.588 3.611 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.901 -5.883 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.080 -4.784 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.455 -6.495 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.780 -7.135 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.374 -5.663 5.918 1.00 0.00 H new ATOM 35 N TRP A 3 -1.096 -3.343 4.337 1.00 0.00 N ATOM 36 CA TRP A 3 -0.745 -2.000 3.880 1.00 0.00 C ATOM 37 C TRP A 3 -1.232 -0.954 4.878 1.00 0.00 C ATOM 38 O TRP A 3 -2.327 -1.072 5.429 1.00 0.00 O ATOM 39 CB TRP A 3 -1.348 -1.693 2.496 1.00 0.00 C ATOM 40 CG TRP A 3 -1.664 -2.899 1.654 1.00 0.00 C ATOM 41 CD1 TRP A 3 -2.603 -3.857 1.906 1.00 0.00 C ATOM 42 CD2 TRP A 3 -1.047 -3.261 0.411 1.00 0.00 C ATOM 43 NE1 TRP A 3 -2.605 -4.793 0.902 1.00 0.00 N ATOM 44 CE2 TRP A 3 -1.659 -4.451 -0.028 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.037 -2.695 -0.372 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -1.293 -5.082 -1.215 1.00 0.00 C ATOM 47 CZ3 TRP A 3 0.326 -3.322 -1.548 1.00 0.00 C ATOM 48 CH2 TRP A 3 -0.301 -4.504 -1.961 1.00 0.00 C ATOM 0 H TRP A 3 -1.933 -3.381 4.919 1.00 0.00 H new ATOM 0 HA TRP A 3 0.341 -1.961 3.802 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.263 -1.117 2.636 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -0.652 -1.058 1.947 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -3.251 -3.876 2.770 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -3.213 -5.611 0.856 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.451 -1.783 -0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -1.774 -5.994 -1.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.106 -2.893 -2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.004 -4.969 -2.887 1.00 0.00 H new ATOM 59 N LYS A 4 -0.419 0.074 5.098 1.00 0.00 N ATOM 60 CA LYS A 4 -0.774 1.150 6.019 1.00 0.00 C ATOM 61 C LYS A 4 -0.400 2.502 5.425 1.00 0.00 C ATOM 62 O LYS A 4 0.529 2.597 4.625 1.00 0.00 O ATOM 63 CB LYS A 4 -0.072 0.954 7.367 1.00 0.00 C ATOM 64 CG LYS A 4 -0.930 0.240 8.400 1.00 0.00 C ATOM 65 CD LYS A 4 -0.118 -0.149 9.625 1.00 0.00 C ATOM 66 CE LYS A 4 -0.829 -1.206 10.455 1.00 0.00 C ATOM 67 NZ LYS A 4 0.103 -1.905 11.384 1.00 0.00 N ATOM 0 H LYS A 4 0.491 0.186 4.651 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.852 1.124 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.844 0.384 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.221 1.928 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.755 0.887 8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.370 -0.653 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.856 -0.526 9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.063 0.734 10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.630 -0.739 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.295 -1.935 9.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.421 -2.617 11.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.853 -2.373 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.529 -1.214 12.034 1.00 0.00 H new ATOM 81 N LEU A 5 -1.125 3.547 5.811 1.00 0.00 N ATOM 82 CA LEU A 5 -0.848 4.884 5.294 1.00 0.00 C ATOM 83 C LEU A 5 -1.151 5.966 6.325 1.00 0.00 C ATOM 84 O LEU A 5 -2.021 5.803 7.181 1.00 0.00 O ATOM 85 CB LEU A 5 -1.651 5.140 4.020 1.00 0.00 C ATOM 86 CG LEU A 5 -0.806 5.410 2.775 1.00 0.00 C ATOM 87 CD1 LEU A 5 -1.673 5.392 1.530 1.00 0.00 C ATOM 88 CD2 LEU A 5 -0.076 6.740 2.902 1.00 0.00 C ATOM 0 H LEU A 5 -1.900 3.497 6.472 1.00 0.00 H new ATOM 0 HA LEU A 5 0.217 4.929 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.289 4.277 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.310 5.992 4.187 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.062 4.619 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.055 5.586 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.147 4.416 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.441 6.162 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.520 6.915 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.803 7.544 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.578 6.714 3.774 1.00 0.00 H new ATOM 100 N PHE A 6 -0.421 7.075 6.223 1.00 0.00 N ATOM 101 CA PHE A 6 -0.595 8.205 7.131 1.00 0.00 C ATOM 102 C PHE A 6 -1.752 9.102 6.678 1.00 0.00 C ATOM 103 O PHE A 6 -2.451 8.787 5.712 1.00 0.00 O ATOM 104 CB PHE A 6 0.707 9.015 7.207 1.00 0.00 C ATOM 105 CG PHE A 6 0.972 9.617 8.560 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.793 8.871 9.715 1.00 0.00 C ATOM 107 CD2 PHE A 6 1.401 10.929 8.675 1.00 0.00 C ATOM 108 CE1 PHE A 6 1.036 9.424 10.957 1.00 0.00 C ATOM 109 CE2 PHE A 6 1.645 11.487 9.914 1.00 0.00 C ATOM 110 CZ PHE A 6 1.463 10.733 11.058 1.00 0.00 C ATOM 0 H PHE A 6 0.301 7.215 5.516 1.00 0.00 H new ATOM 0 HA PHE A 6 -0.837 7.818 8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.542 8.368 6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.671 9.813 6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.460 7.846 9.643 1.00 0.00 H new ATOM 0 HD2 PHE A 6 1.546 11.523 7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.892 8.833 11.849 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.978 12.512 9.989 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.654 11.167 12.028 1.00 0.00 H new ATOM 120 N ALA A 7 -1.946 10.219 7.384 1.00 0.00 N ATOM 121 CA ALA A 7 -3.015 11.166 7.060 1.00 0.00 C ATOM 122 C ALA A 7 -2.892 11.700 5.632 1.00 0.00 C ATOM 123 O ALA A 7 -3.870 12.193 5.072 1.00 0.00 O ATOM 124 CB ALA A 7 -3.020 12.318 8.053 1.00 0.00 C ATOM 0 H ALA A 7 -1.375 10.490 8.185 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.960 10.627 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.820 13.014 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.182 11.931 9.059 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.062 12.837 8.013 1.00 0.00 H new ATOM 130 N ASP A 8 -1.693 11.601 5.043 1.00 0.00 N ATOM 131 CA ASP A 8 -1.464 12.074 3.675 1.00 0.00 C ATOM 132 C ASP A 8 -2.586 11.614 2.747 1.00 0.00 C ATOM 133 O ASP A 8 -3.084 12.383 1.926 1.00 0.00 O ATOM 134 CB ASP A 8 -0.114 11.573 3.149 1.00 0.00 C ATOM 135 CG ASP A 8 0.653 12.648 2.403 1.00 0.00 C ATOM 136 OD1 ASP A 8 0.093 13.223 1.445 1.00 0.00 O ATOM 137 OD2 ASP A 8 1.816 12.913 2.774 1.00 0.00 O ATOM 0 H ASP A 8 -0.870 11.199 5.492 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.452 13.164 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.488 11.215 3.984 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.278 10.723 2.487 1.00 0.00 H new ATOM 142 N LEU A 9 -2.985 10.353 2.898 1.00 0.00 N ATOM 143 CA LEU A 9 -4.057 9.781 2.089 1.00 0.00 C ATOM 144 C LEU A 9 -5.346 9.645 2.903 1.00 0.00 C ATOM 145 O LEU A 9 -6.444 9.754 2.356 1.00 0.00 O ATOM 146 CB LEU A 9 -3.635 8.419 1.537 1.00 0.00 C ATOM 147 CG LEU A 9 -2.810 8.475 0.248 1.00 0.00 C ATOM 148 CD1 LEU A 9 -1.328 8.631 0.563 1.00 0.00 C ATOM 149 CD2 LEU A 9 -3.054 7.234 -0.599 1.00 0.00 C ATOM 0 H LEU A 9 -2.580 9.707 3.575 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.250 10.457 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.056 7.897 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.530 7.824 1.353 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.129 9.346 -0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.760 8.669 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.170 9.553 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.992 7.783 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.459 7.293 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.767 6.346 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.111 7.173 -0.859 1.00 0.00 H new ATOM 161 N ALA A 10 -5.209 9.414 4.212 1.00 0.00 N ATOM 162 CA ALA A 10 -6.370 9.275 5.093 1.00 0.00 C ATOM 163 C ALA A 10 -7.076 10.616 5.332 1.00 0.00 C ATOM 164 O ALA A 10 -8.119 10.660 5.984 1.00 0.00 O ATOM 165 CB ALA A 10 -5.959 8.649 6.419 1.00 0.00 C ATOM 0 H ALA A 10 -4.309 9.320 4.683 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.081 8.617 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.834 8.553 7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.531 7.663 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.218 9.283 6.906 1.00 0.00 H new ATOM 171 N GLU A 11 -6.513 11.706 4.804 1.00 0.00 N ATOM 172 CA GLU A 11 -7.108 13.031 4.966 1.00 0.00 C ATOM 173 C GLU A 11 -8.475 13.103 4.285 1.00 0.00 C ATOM 174 O GLU A 11 -9.391 13.755 4.784 1.00 0.00 O ATOM 175 CB GLU A 11 -6.184 14.109 4.390 1.00 0.00 C ATOM 176 CG GLU A 11 -5.762 15.156 5.407 1.00 0.00 C ATOM 177 CD GLU A 11 -5.340 16.463 4.762 1.00 0.00 C ATOM 178 OE1 GLU A 11 -6.164 17.064 4.039 1.00 0.00 O ATOM 179 OE2 GLU A 11 -4.187 16.886 4.982 1.00 0.00 O ATOM 0 H GLU A 11 -5.649 11.695 4.263 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.241 13.210 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.293 13.632 3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.689 14.603 3.560 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.588 15.344 6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.936 14.766 6.002 1.00 0.00 H new ATOM 186 N VAL A 12 -8.600 12.431 3.139 1.00 0.00 N ATOM 187 CA VAL A 12 -9.852 12.423 2.387 1.00 0.00 C ATOM 188 C VAL A 12 -10.686 11.176 2.685 1.00 0.00 C ATOM 189 O VAL A 12 -11.894 11.271 2.902 1.00 0.00 O ATOM 190 CB VAL A 12 -9.598 12.497 0.865 1.00 0.00 C ATOM 191 CG1 VAL A 12 -10.900 12.741 0.115 1.00 0.00 C ATOM 192 CG2 VAL A 12 -8.574 13.579 0.540 1.00 0.00 C ATOM 0 H VAL A 12 -7.850 11.887 2.714 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.404 13.307 2.707 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.192 11.539 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.700 12.790 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.595 11.926 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.339 13.682 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.410 13.613 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.945 14.545 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.634 13.353 1.043 1.00 0.00 H new ATOM 202 N ALA A 13 -10.043 10.008 2.681 1.00 0.00 N ATOM 203 CA ALA A 13 -10.741 8.749 2.938 1.00 0.00 C ATOM 204 C ALA A 13 -10.983 8.529 4.429 1.00 0.00 C ATOM 205 O ALA A 13 -12.076 8.130 4.835 1.00 0.00 O ATOM 206 CB ALA A 13 -9.957 7.581 2.353 1.00 0.00 C ATOM 0 H ALA A 13 -9.044 9.908 2.503 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.714 8.807 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.488 6.650 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.852 7.716 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.969 7.540 2.812 1.00 0.00 H new ATOM 212 N GLY A 14 -9.954 8.776 5.236 1.00 0.00 N ATOM 213 CA GLY A 14 -10.064 8.585 6.673 1.00 0.00 C ATOM 214 C GLY A 14 -9.152 7.480 7.174 1.00 0.00 C ATOM 215 O GLY A 14 -8.693 7.516 8.316 1.00 0.00 O ATOM 0 H GLY A 14 -9.043 9.106 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.817 9.517 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.096 8.346 6.928 1.00 0.00 H new ATOM 219 N SER A 15 -8.889 6.495 6.311 1.00 0.00 N ATOM 220 CA SER A 15 -8.026 5.369 6.662 1.00 0.00 C ATOM 221 C SER A 15 -7.647 4.563 5.422 1.00 0.00 C ATOM 222 O SER A 15 -8.511 3.984 4.760 1.00 0.00 O ATOM 223 CB SER A 15 -8.720 4.459 7.679 1.00 0.00 C ATOM 224 OG SER A 15 -7.771 3.766 8.473 1.00 0.00 O ATOM 0 H SER A 15 -9.263 6.457 5.363 1.00 0.00 H new ATOM 0 HA SER A 15 -7.116 5.772 7.106 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.370 5.054 8.320 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.355 3.743 7.157 1.00 0.00 H new ATOM 0 HG SER A 15 -8.239 3.193 9.116 1.00 0.00 H new ATOM 230 N ARG A 16 -6.350 4.526 5.115 1.00 0.00 N ATOM 231 CA ARG A 16 -5.857 3.782 3.956 1.00 0.00 C ATOM 232 C ARG A 16 -5.116 2.514 4.391 1.00 0.00 C ATOM 233 O ARG A 16 -4.212 2.042 3.695 1.00 0.00 O ATOM 234 CB ARG A 16 -4.937 4.669 3.106 1.00 0.00 C ATOM 235 CG ARG A 16 -5.613 5.241 1.869 1.00 0.00 C ATOM 236 CD ARG A 16 -6.070 4.142 0.922 1.00 0.00 C ATOM 237 NE ARG A 16 -7.509 3.891 1.022 1.00 0.00 N ATOM 238 CZ ARG A 16 -8.192 3.110 0.181 1.00 0.00 C ATOM 239 NH1 ARG A 16 -7.576 2.496 -0.826 1.00 0.00 N ATOM 240 NH2 ARG A 16 -9.500 2.940 0.349 1.00 0.00 N ATOM 0 H ARG A 16 -5.624 5.001 5.651 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.716 3.484 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.569 5.490 3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.068 4.087 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.470 5.844 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.922 5.905 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.821 4.420 -0.102 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.526 3.224 1.144 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.022 4.340 1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.573 2.620 -0.961 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.107 1.902 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.980 3.406 1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.023 2.344 -0.292 1.00 0.00 H new ATOM 254 N THR A 17 -5.510 1.959 5.538 1.00 0.00 N ATOM 255 CA THR A 17 -4.888 0.743 6.055 1.00 0.00 C ATOM 256 C THR A 17 -5.701 -0.485 5.645 1.00 0.00 C ATOM 257 O THR A 17 -6.845 -0.653 6.070 1.00 0.00 O ATOM 258 CB THR A 17 -4.745 0.809 7.585 1.00 0.00 C ATOM 259 OG1 THR A 17 -5.983 0.565 8.234 1.00 0.00 O ATOM 260 CG2 THR A 17 -4.226 2.141 8.088 1.00 0.00 C ATOM 0 H THR A 17 -6.256 2.333 6.125 1.00 0.00 H new ATOM 0 HA THR A 17 -3.890 0.660 5.625 1.00 0.00 H new ATOM 0 HB THR A 17 -4.018 0.034 7.825 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.670 0.365 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.151 2.115 9.175 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.242 2.333 7.661 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.912 2.934 7.791 1.00 0.00 H new ATOM 268 N VAL A 18 -5.108 -1.332 4.806 1.00 0.00 N ATOM 269 CA VAL A 18 -5.783 -2.537 4.327 1.00 0.00 C ATOM 270 C VAL A 18 -4.977 -3.794 4.663 1.00 0.00 C ATOM 271 O VAL A 18 -3.783 -3.718 4.952 1.00 0.00 O ATOM 272 CB VAL A 18 -6.022 -2.473 2.800 1.00 0.00 C ATOM 273 CG1 VAL A 18 -7.057 -3.503 2.368 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.452 -1.072 2.379 1.00 0.00 C ATOM 0 H VAL A 18 -4.163 -1.207 4.444 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.746 -2.588 4.835 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.081 -2.707 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.207 -3.438 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.706 -4.502 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.000 -3.307 2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.615 -1.050 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.377 -0.806 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.672 -0.357 2.643 1.00 0.00 H new ATOM 284 N ARG A 19 -5.639 -4.952 4.625 1.00 0.00 N ATOM 285 CA ARG A 19 -4.988 -6.228 4.920 1.00 0.00 C ATOM 286 C ARG A 19 -5.217 -7.227 3.787 1.00 0.00 C ATOM 287 O ARG A 19 -6.220 -7.148 3.076 1.00 0.00 O ATOM 288 CB ARG A 19 -5.509 -6.809 6.240 1.00 0.00 C ATOM 289 CG ARG A 19 -7.025 -6.760 6.377 1.00 0.00 C ATOM 290 CD ARG A 19 -7.602 -8.119 6.745 1.00 0.00 C ATOM 291 NE ARG A 19 -8.563 -8.023 7.843 1.00 0.00 N ATOM 292 CZ ARG A 19 -8.220 -7.909 9.128 1.00 0.00 C ATOM 293 NH1 ARG A 19 -6.939 -7.875 9.484 1.00 0.00 N ATOM 294 NH2 ARG A 19 -9.163 -7.823 10.059 1.00 0.00 N ATOM 0 H ARG A 19 -6.629 -5.031 4.392 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.918 -6.044 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.179 -7.844 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.061 -6.262 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.298 -6.030 7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.464 -6.420 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.089 -8.555 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.793 -8.793 7.028 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.556 -8.044 7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.210 -7.936 8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.685 -7.788 10.468 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -10.147 -7.844 9.792 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.903 -7.736 11.042 1.00 0.00 H new ATOM 308 N VAL A 20 -4.286 -8.164 3.624 1.00 0.00 N ATOM 309 CA VAL A 20 -4.393 -9.177 2.578 1.00 0.00 C ATOM 310 C VAL A 20 -4.856 -10.509 3.160 1.00 0.00 C ATOM 311 O VAL A 20 -4.200 -11.078 4.032 1.00 0.00 O ATOM 312 CB VAL A 20 -3.050 -9.386 1.850 1.00 0.00 C ATOM 313 CG1 VAL A 20 -3.231 -10.275 0.625 1.00 0.00 C ATOM 314 CG2 VAL A 20 -2.439 -8.048 1.459 1.00 0.00 C ATOM 0 H VAL A 20 -3.450 -8.243 4.203 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.129 -8.816 1.860 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.366 -9.888 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.271 -10.409 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.618 -11.246 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.934 -9.807 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.492 -8.216 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.121 -7.517 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.266 -7.451 2.355 1.00 0.00 H new ATOM 324 N ASP A 21 -5.994 -10.995 2.670 1.00 0.00 N ATOM 325 CA ASP A 21 -6.560 -12.256 3.136 1.00 0.00 C ATOM 326 C ASP A 21 -6.714 -13.242 1.982 1.00 0.00 C ATOM 327 O ASP A 21 -6.289 -14.397 2.076 1.00 0.00 O ATOM 328 CB ASP A 21 -7.920 -11.999 3.788 1.00 0.00 C ATOM 329 CG ASP A 21 -7.833 -11.831 5.295 1.00 0.00 C ATOM 330 OD1 ASP A 21 -6.813 -11.296 5.781 1.00 0.00 O ATOM 331 OD2 ASP A 21 -8.790 -12.229 5.990 1.00 0.00 O ATOM 0 H ASP A 21 -6.544 -10.531 1.947 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.881 -12.692 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.362 -11.103 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.589 -12.828 3.558 1.00 0.00 H new ATOM 336 N VAL A 22 -7.329 -12.774 0.899 1.00 0.00 N ATOM 337 CA VAL A 22 -7.553 -13.599 -0.287 1.00 0.00 C ATOM 338 C VAL A 22 -6.671 -13.146 -1.448 1.00 0.00 C ATOM 339 O VAL A 22 -6.580 -11.953 -1.737 1.00 0.00 O ATOM 340 CB VAL A 22 -9.029 -13.547 -0.745 1.00 0.00 C ATOM 341 CG1 VAL A 22 -9.284 -14.558 -1.858 1.00 0.00 C ATOM 342 CG2 VAL A 22 -9.968 -13.782 0.431 1.00 0.00 C ATOM 0 H VAL A 22 -7.684 -11.821 0.818 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.298 -14.621 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.229 -12.551 -1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.328 -14.505 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.643 -14.331 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.063 -15.562 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.001 -13.741 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.769 -14.762 0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.807 -13.012 1.185 1.00 0.00 H new ATOM 352 N ASP A 23 -6.038 -14.104 -2.120 1.00 0.00 N ATOM 353 CA ASP A 23 -5.177 -13.798 -3.263 1.00 0.00 C ATOM 354 C ASP A 23 -5.739 -14.404 -4.548 1.00 0.00 C ATOM 355 O ASP A 23 -6.438 -15.419 -4.513 1.00 0.00 O ATOM 356 CB ASP A 23 -3.745 -14.305 -3.034 1.00 0.00 C ATOM 357 CG ASP A 23 -3.683 -15.712 -2.463 1.00 0.00 C ATOM 358 OD1 ASP A 23 -4.631 -16.496 -2.681 1.00 0.00 O ATOM 359 OD2 ASP A 23 -2.678 -16.031 -1.796 1.00 0.00 O ATOM 0 H ASP A 23 -6.104 -15.097 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.149 -12.713 -3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.204 -14.281 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.231 -13.624 -2.356 1.00 0.00 H new ATOM 364 N GLY A 24 -5.424 -13.776 -5.680 1.00 0.00 N ATOM 365 CA GLY A 24 -5.900 -14.264 -6.963 1.00 0.00 C ATOM 366 C GLY A 24 -5.867 -13.206 -8.047 1.00 0.00 C ATOM 367 O GLY A 24 -4.934 -13.165 -8.850 1.00 0.00 O ATOM 0 H GLY A 24 -4.847 -12.937 -5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.290 -15.112 -7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.921 -14.630 -6.851 1.00 0.00 H new ATOM 371 N ASP A 25 -6.888 -12.352 -8.074 1.00 0.00 N ATOM 372 CA ASP A 25 -6.971 -11.291 -9.075 1.00 0.00 C ATOM 373 C ASP A 25 -6.142 -10.078 -8.661 1.00 0.00 C ATOM 374 O ASP A 25 -5.389 -9.528 -9.465 1.00 0.00 O ATOM 375 CB ASP A 25 -8.431 -10.873 -9.302 1.00 0.00 C ATOM 376 CG ASP A 25 -9.324 -12.030 -9.720 1.00 0.00 C ATOM 377 OD1 ASP A 25 -8.887 -12.854 -10.552 1.00 0.00 O ATOM 378 OD2 ASP A 25 -10.465 -12.108 -9.217 1.00 0.00 O ATOM 0 H ASP A 25 -7.667 -12.374 -7.416 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.566 -11.684 -10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.823 -10.432 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.466 -10.099 -10.069 1.00 0.00 H new ATOM 383 N ALA A 26 -6.290 -9.663 -7.402 1.00 0.00 N ATOM 384 CA ALA A 26 -5.559 -8.511 -6.883 1.00 0.00 C ATOM 385 C ALA A 26 -4.050 -8.754 -6.906 1.00 0.00 C ATOM 386 O ALA A 26 -3.546 -9.646 -6.220 1.00 0.00 O ATOM 387 CB ALA A 26 -6.027 -8.180 -5.472 1.00 0.00 C ATOM 0 H ALA A 26 -6.909 -10.108 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.768 -7.659 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.473 -7.319 -5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.092 -7.948 -5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.851 -9.036 -4.820 1.00 0.00 H new ATOM 393 N THR A 27 -3.337 -7.954 -7.701 1.00 0.00 N ATOM 394 CA THR A 27 -1.884 -8.079 -7.818 1.00 0.00 C ATOM 395 C THR A 27 -1.179 -7.329 -6.689 1.00 0.00 C ATOM 396 O THR A 27 -1.815 -6.612 -5.915 1.00 0.00 O ATOM 397 CB THR A 27 -1.405 -7.559 -9.181 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.493 -7.364 -10.071 1.00 0.00 O ATOM 399 CG2 THR A 27 -0.423 -8.489 -9.859 1.00 0.00 C ATOM 0 H THR A 27 -3.742 -7.213 -8.273 1.00 0.00 H new ATOM 0 HA THR A 27 -1.630 -9.136 -7.739 1.00 0.00 H new ATOM 0 HB THR A 27 -0.907 -6.614 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.158 -7.031 -10.930 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.123 -8.065 -10.817 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.456 -8.614 -9.226 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.894 -9.459 -10.023 1.00 0.00 H new ATOM 407 N VAL A 28 0.140 -7.493 -6.606 1.00 0.00 N ATOM 408 CA VAL A 28 0.929 -6.829 -5.577 1.00 0.00 C ATOM 409 C VAL A 28 1.134 -5.362 -5.926 1.00 0.00 C ATOM 410 O VAL A 28 1.150 -4.501 -5.047 1.00 0.00 O ATOM 411 CB VAL A 28 2.305 -7.501 -5.388 1.00 0.00 C ATOM 412 CG1 VAL A 28 3.052 -6.870 -4.224 1.00 0.00 C ATOM 413 CG2 VAL A 28 2.153 -9.000 -5.181 1.00 0.00 C ATOM 0 H VAL A 28 0.682 -8.080 -7.240 1.00 0.00 H new ATOM 0 HA VAL A 28 0.372 -6.912 -4.644 1.00 0.00 H new ATOM 0 HB VAL A 28 2.888 -7.344 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.020 -7.357 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.201 -5.808 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.471 -6.992 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.137 -9.451 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.548 -9.185 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.665 -9.440 -6.051 1.00 0.00 H new ATOM 423 N GLY A 29 1.281 -5.086 -7.220 1.00 0.00 N ATOM 424 CA GLY A 29 1.474 -3.726 -7.668 1.00 0.00 C ATOM 425 C GLY A 29 0.163 -3.029 -7.977 1.00 0.00 C ATOM 426 O GLY A 29 0.039 -1.819 -7.783 1.00 0.00 O ATOM 0 H GLY A 29 1.269 -5.784 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.008 -3.166 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.102 -3.725 -8.559 1.00 0.00 H new ATOM 430 N ASP A 30 -0.822 -3.799 -8.452 1.00 0.00 N ATOM 431 CA ASP A 30 -2.138 -3.254 -8.782 1.00 0.00 C ATOM 432 C ASP A 30 -2.756 -2.556 -7.569 1.00 0.00 C ATOM 433 O ASP A 30 -3.322 -1.468 -7.689 1.00 0.00 O ATOM 434 CB ASP A 30 -3.061 -4.370 -9.280 1.00 0.00 C ATOM 435 CG ASP A 30 -4.434 -3.861 -9.680 1.00 0.00 C ATOM 436 OD1 ASP A 30 -4.517 -3.068 -10.640 1.00 0.00 O ATOM 437 OD2 ASP A 30 -5.425 -4.258 -9.032 1.00 0.00 O ATOM 0 H ASP A 30 -0.730 -4.802 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.016 -2.516 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.598 -4.864 -10.134 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.170 -5.121 -8.498 1.00 0.00 H new ATOM 442 N ALA A 31 -2.631 -3.183 -6.400 1.00 0.00 N ATOM 443 CA ALA A 31 -3.163 -2.617 -5.162 1.00 0.00 C ATOM 444 C ALA A 31 -2.175 -1.633 -4.540 1.00 0.00 C ATOM 445 O ALA A 31 -2.578 -0.702 -3.842 1.00 0.00 O ATOM 446 CB ALA A 31 -3.503 -3.724 -4.173 1.00 0.00 C ATOM 0 H ALA A 31 -2.166 -4.083 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.076 -2.073 -5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.898 -3.285 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.251 -4.385 -4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.604 -4.295 -3.943 1.00 0.00 H new ATOM 452 N LEU A 32 -0.882 -1.838 -4.800 1.00 0.00 N ATOM 453 CA LEU A 32 0.153 -0.959 -4.267 1.00 0.00 C ATOM 454 C LEU A 32 -0.018 0.459 -4.799 1.00 0.00 C ATOM 455 O LEU A 32 -0.155 1.399 -4.024 1.00 0.00 O ATOM 456 CB LEU A 32 1.547 -1.482 -4.620 1.00 0.00 C ATOM 457 CG LEU A 32 2.709 -0.678 -4.027 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.301 -1.404 -2.829 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.777 -0.419 -5.083 1.00 0.00 C ATOM 0 H LEU A 32 -0.530 -2.604 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 32 0.050 -0.943 -3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.628 -2.514 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.650 -1.495 -5.705 1.00 0.00 H new ATOM 0 HG LEU A 32 2.325 0.285 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.125 -0.819 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.533 -1.533 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.669 -2.381 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.593 0.153 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.159 -1.370 -5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.343 0.145 -5.909 1.00 0.00 H new ATOM 471 N ASP A 33 -0.013 0.607 -6.125 1.00 0.00 N ATOM 472 CA ASP A 33 -0.170 1.919 -6.747 1.00 0.00 C ATOM 473 C ASP A 33 -1.473 2.592 -6.302 1.00 0.00 C ATOM 474 O ASP A 33 -1.496 3.795 -6.042 1.00 0.00 O ATOM 475 CB ASP A 33 -0.109 1.794 -8.274 1.00 0.00 C ATOM 476 CG ASP A 33 -1.415 1.325 -8.890 1.00 0.00 C ATOM 477 OD1 ASP A 33 -2.320 2.165 -9.081 1.00 0.00 O ATOM 478 OD2 ASP A 33 -1.529 0.120 -9.187 1.00 0.00 O ATOM 0 H ASP A 33 0.098 -0.163 -6.785 1.00 0.00 H new ATOM 0 HA ASP A 33 0.654 2.553 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.160 2.761 -8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.683 1.096 -8.543 1.00 0.00 H new ATOM 483 N ALA A 34 -2.550 1.809 -6.205 1.00 0.00 N ATOM 484 CA ALA A 34 -3.843 2.342 -5.780 1.00 0.00 C ATOM 485 C ALA A 34 -3.777 2.853 -4.344 1.00 0.00 C ATOM 486 O ALA A 34 -4.153 3.991 -4.062 1.00 0.00 O ATOM 487 CB ALA A 34 -4.933 1.288 -5.914 1.00 0.00 C ATOM 0 H ALA A 34 -2.551 0.811 -6.414 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.089 3.180 -6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.886 1.707 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.008 0.973 -6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.686 0.428 -5.291 1.00 0.00 H new ATOM 493 N LEU A 35 -3.292 2.003 -3.440 1.00 0.00 N ATOM 494 CA LEU A 35 -3.171 2.365 -2.031 1.00 0.00 C ATOM 495 C LEU A 35 -2.093 3.428 -1.821 1.00 0.00 C ATOM 496 O LEU A 35 -2.229 4.286 -0.950 1.00 0.00 O ATOM 497 CB LEU A 35 -2.854 1.127 -1.185 1.00 0.00 C ATOM 498 CG LEU A 35 -4.076 0.355 -0.674 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.011 -0.001 -1.824 1.00 0.00 C ATOM 500 CD2 LEU A 35 -3.639 -0.901 0.068 1.00 0.00 C ATOM 0 H LEU A 35 -2.977 1.058 -3.660 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.127 2.780 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.238 0.450 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.255 1.436 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.620 0.996 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.871 -0.548 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.352 0.912 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.480 -0.622 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.518 -1.438 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.071 -1.542 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.015 -0.623 0.917 1.00 0.00 H new ATOM 512 N VAL A 36 -1.025 3.368 -2.619 1.00 0.00 N ATOM 513 CA VAL A 36 0.073 4.333 -2.508 1.00 0.00 C ATOM 514 C VAL A 36 -0.435 5.764 -2.682 1.00 0.00 C ATOM 515 O VAL A 36 -0.118 6.644 -1.880 1.00 0.00 O ATOM 516 CB VAL A 36 1.196 4.055 -3.540 1.00 0.00 C ATOM 517 CG1 VAL A 36 2.102 5.271 -3.702 1.00 0.00 C ATOM 518 CG2 VAL A 36 2.010 2.837 -3.128 1.00 0.00 C ATOM 0 H VAL A 36 -0.896 2.665 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 36 0.490 4.218 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 36 0.727 3.851 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.881 5.050 -4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.513 6.120 -4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.561 5.513 -2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.794 2.657 -3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.463 3.015 -2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.358 1.965 -3.072 1.00 0.00 H new ATOM 528 N GLY A 37 -1.221 5.990 -3.733 1.00 0.00 N ATOM 529 CA GLY A 37 -1.753 7.316 -3.988 1.00 0.00 C ATOM 530 C GLY A 37 -2.240 7.485 -5.412 1.00 0.00 C ATOM 531 O GLY A 37 -1.838 8.420 -6.104 1.00 0.00 O ATOM 0 H GLY A 37 -1.498 5.279 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.576 7.511 -3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.982 8.058 -3.781 1.00 0.00 H new ATOM 535 N ALA A 38 -3.110 6.579 -5.847 1.00 0.00 N ATOM 536 CA ALA A 38 -3.659 6.631 -7.198 1.00 0.00 C ATOM 537 C ALA A 38 -4.534 7.873 -7.380 1.00 0.00 C ATOM 538 O ALA A 38 -4.230 8.735 -8.205 1.00 0.00 O ATOM 539 CB ALA A 38 -4.451 5.366 -7.499 1.00 0.00 C ATOM 0 H ALA A 38 -3.450 5.800 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.830 6.694 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.854 5.421 -8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.796 4.498 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.271 5.272 -6.787 1.00 0.00 H new ATOM 545 N HIS A 39 -5.611 7.957 -6.592 1.00 0.00 N ATOM 546 CA HIS A 39 -6.537 9.094 -6.643 1.00 0.00 C ATOM 547 C HIS A 39 -7.665 8.923 -5.631 1.00 0.00 C ATOM 548 O HIS A 39 -7.787 9.719 -4.705 1.00 0.00 O ATOM 549 CB HIS A 39 -7.128 9.266 -8.041 1.00 0.00 C ATOM 550 CG HIS A 39 -6.427 10.292 -8.879 1.00 0.00 C ATOM 551 ND1 HIS A 39 -6.089 11.549 -8.417 1.00 0.00 N ATOM 552 CD2 HIS A 39 -6.000 10.241 -10.164 1.00 0.00 C ATOM 553 CE1 HIS A 39 -5.488 12.225 -9.381 1.00 0.00 C ATOM 554 NE2 HIS A 39 -5.422 11.453 -10.450 1.00 0.00 N ATOM 0 H HIS A 39 -5.864 7.246 -5.906 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.965 9.988 -6.393 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.096 8.307 -8.558 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.178 9.544 -7.948 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.096 9.403 -10.838 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.115 13.236 -9.307 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.008 11.715 -11.345 1.00 0.00 H new ATOM 563 N PRO A 40 -8.505 7.872 -5.781 1.00 0.00 N ATOM 564 CA PRO A 40 -9.612 7.615 -4.854 1.00 0.00 C ATOM 565 C PRO A 40 -9.148 7.584 -3.403 1.00 0.00 C ATOM 566 O PRO A 40 -9.918 7.892 -2.493 1.00 0.00 O ATOM 567 CB PRO A 40 -10.147 6.242 -5.274 1.00 0.00 C ATOM 568 CG PRO A 40 -9.131 5.679 -6.211 1.00 0.00 C ATOM 569 CD PRO A 40 -8.444 6.856 -6.840 1.00 0.00 C ATOM 0 HA PRO A 40 -10.365 8.401 -4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.282 5.594 -4.408 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -11.119 6.333 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.417 5.050 -5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -9.604 5.054 -6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.416 6.623 -7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.953 7.185 -7.746 1.00 0.00 H new ATOM 577 N ALA A 41 -7.875 7.237 -3.193 1.00 0.00 N ATOM 578 CA ALA A 41 -7.311 7.203 -1.850 1.00 0.00 C ATOM 579 C ALA A 41 -7.344 8.602 -1.237 1.00 0.00 C ATOM 580 O ALA A 41 -7.430 8.752 -0.019 1.00 0.00 O ATOM 581 CB ALA A 41 -5.891 6.657 -1.877 1.00 0.00 C ATOM 0 H ALA A 41 -7.223 6.978 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.913 6.537 -1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.488 6.640 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.898 5.645 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.268 7.294 -2.504 1.00 0.00 H new ATOM 587 N LEU A 42 -7.292 9.623 -2.101 1.00 0.00 N ATOM 588 CA LEU A 42 -7.333 11.014 -1.656 1.00 0.00 C ATOM 589 C LEU A 42 -8.289 11.836 -2.531 1.00 0.00 C ATOM 590 O LEU A 42 -8.097 13.042 -2.707 1.00 0.00 O ATOM 591 CB LEU A 42 -5.929 11.644 -1.681 1.00 0.00 C ATOM 592 CG LEU A 42 -4.764 10.685 -1.965 1.00 0.00 C ATOM 593 CD1 LEU A 42 -4.770 10.235 -3.421 1.00 0.00 C ATOM 594 CD2 LEU A 42 -3.439 11.348 -1.620 1.00 0.00 C ATOM 0 H LEU A 42 -7.221 9.508 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.699 11.022 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.919 12.430 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.751 12.125 -0.719 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.889 9.802 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.935 9.557 -3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.706 9.722 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.673 11.105 -4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.622 10.657 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.314 12.248 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.430 11.615 -0.563 1.00 0.00 H new ATOM 606 N GLU A 43 -9.317 11.173 -3.084 1.00 0.00 N ATOM 607 CA GLU A 43 -10.298 11.831 -3.949 1.00 0.00 C ATOM 608 C GLU A 43 -9.677 12.194 -5.298 1.00 0.00 C ATOM 609 O GLU A 43 -8.474 12.442 -5.395 1.00 0.00 O ATOM 610 CB GLU A 43 -10.881 13.079 -3.273 1.00 0.00 C ATOM 611 CG GLU A 43 -12.374 12.976 -2.988 1.00 0.00 C ATOM 612 CD GLU A 43 -13.232 13.561 -4.097 1.00 0.00 C ATOM 613 OE1 GLU A 43 -12.948 14.696 -4.538 1.00 0.00 O ATOM 614 OE2 GLU A 43 -14.191 12.886 -4.523 1.00 0.00 O ATOM 0 H GLU A 43 -9.487 10.177 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.112 11.128 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.352 13.255 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.700 13.945 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.640 11.929 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.596 13.492 -2.054 1.00 0.00 H new ATOM 621 N SER A 44 -10.508 12.212 -6.337 1.00 0.00 N ATOM 622 CA SER A 44 -10.047 12.530 -7.687 1.00 0.00 C ATOM 623 C SER A 44 -9.445 13.933 -7.758 1.00 0.00 C ATOM 624 O SER A 44 -8.404 14.135 -8.384 1.00 0.00 O ATOM 625 CB SER A 44 -11.197 12.406 -8.687 1.00 0.00 C ATOM 626 OG SER A 44 -11.570 11.050 -8.866 1.00 0.00 O ATOM 0 H SER A 44 -11.506 12.010 -6.270 1.00 0.00 H new ATOM 0 HA SER A 44 -9.267 11.813 -7.945 1.00 0.00 H new ATOM 0 HB2 SER A 44 -12.054 12.979 -8.334 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.899 12.835 -9.644 1.00 0.00 H new ATOM 0 HG SER A 44 -12.308 10.996 -9.508 1.00 0.00 H new ATOM 632 N ARG A 45 -10.103 14.898 -7.116 1.00 0.00 N ATOM 633 CA ARG A 45 -9.629 16.279 -7.113 1.00 0.00 C ATOM 634 C ARG A 45 -10.029 16.987 -5.821 1.00 0.00 C ATOM 635 O ARG A 45 -11.070 16.688 -5.234 1.00 0.00 O ATOM 636 CB ARG A 45 -10.180 17.041 -8.323 1.00 0.00 C ATOM 637 CG ARG A 45 -11.667 16.820 -8.568 1.00 0.00 C ATOM 638 CD ARG A 45 -11.910 15.644 -9.503 1.00 0.00 C ATOM 639 NE ARG A 45 -11.937 16.054 -10.906 1.00 0.00 N ATOM 640 CZ ARG A 45 -12.996 16.608 -11.504 1.00 0.00 C ATOM 641 NH1 ARG A 45 -14.117 16.827 -10.822 1.00 0.00 N ATOM 642 NH2 ARG A 45 -12.931 16.946 -12.787 1.00 0.00 N ATOM 0 H ARG A 45 -10.965 14.748 -6.592 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.541 16.262 -7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.000 18.107 -8.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.627 16.739 -9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.171 16.641 -7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.104 17.722 -8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.128 14.899 -9.358 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.856 15.167 -9.247 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.095 15.908 -11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.172 16.572 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.921 17.250 -11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.073 16.783 -13.315 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.739 17.369 -13.245 1.00 0.00 H new ATOM 656 N VAL A 46 -9.190 17.923 -5.385 1.00 0.00 N ATOM 657 CA VAL A 46 -9.449 18.675 -4.160 1.00 0.00 C ATOM 658 C VAL A 46 -8.492 19.863 -4.020 1.00 0.00 C ATOM 659 O VAL A 46 -8.911 20.966 -3.662 1.00 0.00 O ATOM 660 CB VAL A 46 -9.349 17.767 -2.910 1.00 0.00 C ATOM 661 CG1 VAL A 46 -7.942 17.205 -2.746 1.00 0.00 C ATOM 662 CG2 VAL A 46 -9.785 18.521 -1.661 1.00 0.00 C ATOM 0 H VAL A 46 -8.325 18.179 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.467 19.058 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.026 16.924 -3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.904 16.572 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.681 16.615 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.233 18.026 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.707 17.865 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.142 19.390 -1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.818 18.849 -1.776 1.00 0.00 H new ATOM 672 N PHE A 47 -7.209 19.636 -4.312 1.00 0.00 N ATOM 673 CA PHE A 47 -6.197 20.690 -4.227 1.00 0.00 C ATOM 674 C PHE A 47 -4.859 20.202 -4.781 1.00 0.00 C ATOM 675 O PHE A 47 -4.171 19.398 -4.147 1.00 0.00 O ATOM 676 CB PHE A 47 -6.023 21.162 -2.778 1.00 0.00 C ATOM 677 CG PHE A 47 -6.065 22.659 -2.623 1.00 0.00 C ATOM 678 CD1 PHE A 47 -4.966 23.436 -2.957 1.00 0.00 C ATOM 679 CD2 PHE A 47 -7.202 23.285 -2.140 1.00 0.00 C ATOM 680 CE1 PHE A 47 -5.003 24.810 -2.812 1.00 0.00 C ATOM 681 CE2 PHE A 47 -7.244 24.659 -1.992 1.00 0.00 C ATOM 682 CZ PHE A 47 -6.143 25.422 -2.328 1.00 0.00 C ATOM 0 H PHE A 47 -6.847 18.730 -4.610 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.539 21.531 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.807 20.719 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.072 20.792 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.072 22.962 -3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.066 22.693 -1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.141 25.405 -3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.137 25.135 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.173 26.495 -2.213 1.00 0.00 H new ATOM 692 N GLY A 48 -4.502 20.692 -5.967 1.00 0.00 N ATOM 693 CA GLY A 48 -3.252 20.299 -6.595 1.00 0.00 C ATOM 694 C GLY A 48 -3.296 18.884 -7.140 1.00 0.00 C ATOM 695 O GLY A 48 -3.008 17.927 -6.420 1.00 0.00 O ATOM 0 H GLY A 48 -5.059 21.356 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.023 20.990 -7.406 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.443 20.380 -5.869 1.00 0.00 H new ATOM 699 N ASP A 49 -3.658 18.751 -8.417 1.00 0.00 N ATOM 700 CA ASP A 49 -3.738 17.440 -9.057 1.00 0.00 C ATOM 701 C ASP A 49 -2.355 16.796 -9.153 1.00 0.00 C ATOM 702 O ASP A 49 -2.164 15.656 -8.728 1.00 0.00 O ATOM 703 CB ASP A 49 -4.361 17.554 -10.453 1.00 0.00 C ATOM 704 CG ASP A 49 -5.727 18.220 -10.430 1.00 0.00 C ATOM 705 OD1 ASP A 49 -6.620 17.722 -9.712 1.00 0.00 O ATOM 706 OD2 ASP A 49 -5.900 19.239 -11.131 1.00 0.00 O ATOM 0 H ASP A 49 -3.899 19.533 -9.026 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.375 16.806 -8.440 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.694 18.124 -11.099 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.453 16.559 -10.888 1.00 0.00 H new ATOM 711 N ASP A 50 -1.393 17.536 -9.707 1.00 0.00 N ATOM 712 CA ASP A 50 -0.027 17.037 -9.850 1.00 0.00 C ATOM 713 C ASP A 50 0.625 16.817 -8.482 1.00 0.00 C ATOM 714 O ASP A 50 1.490 15.954 -8.333 1.00 0.00 O ATOM 715 CB ASP A 50 0.815 18.016 -10.675 1.00 0.00 C ATOM 716 CG ASP A 50 0.592 17.859 -12.168 1.00 0.00 C ATOM 717 OD1 ASP A 50 -0.557 18.046 -12.622 1.00 0.00 O ATOM 718 OD2 ASP A 50 1.569 17.553 -12.884 1.00 0.00 O ATOM 0 H ASP A 50 -1.536 18.481 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.073 16.079 -10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.572 19.037 -10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.870 17.861 -10.450 1.00 0.00 H new ATOM 723 N GLY A 51 0.200 17.599 -7.486 1.00 0.00 N ATOM 724 CA GLY A 51 0.751 17.470 -6.148 1.00 0.00 C ATOM 725 C GLY A 51 1.687 18.608 -5.788 1.00 0.00 C ATOM 726 O GLY A 51 1.731 19.626 -6.479 1.00 0.00 O ATOM 0 H GLY A 51 -0.516 18.318 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.064 17.433 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.288 16.525 -6.070 1.00 0.00 H new ATOM 730 N GLU A 52 2.438 18.433 -4.702 1.00 0.00 N ATOM 731 CA GLU A 52 3.383 19.449 -4.247 1.00 0.00 C ATOM 732 C GLU A 52 4.632 19.468 -5.130 1.00 0.00 C ATOM 733 O GLU A 52 4.745 18.687 -6.077 1.00 0.00 O ATOM 734 CB GLU A 52 3.773 19.192 -2.787 1.00 0.00 C ATOM 735 CG GLU A 52 3.899 20.461 -1.957 1.00 0.00 C ATOM 736 CD GLU A 52 2.671 20.729 -1.108 1.00 0.00 C ATOM 737 OE1 GLU A 52 2.445 19.978 -0.134 1.00 0.00 O ATOM 738 OE2 GLU A 52 1.935 21.689 -1.415 1.00 0.00 O ATOM 0 H GLU A 52 2.410 17.595 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 52 2.898 20.423 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.027 18.541 -2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.722 18.656 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.773 20.382 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.069 21.309 -2.620 1.00 0.00 H new ATOM 745 N LEU A 53 5.569 20.361 -4.814 1.00 0.00 N ATOM 746 CA LEU A 53 6.809 20.474 -5.579 1.00 0.00 C ATOM 747 C LEU A 53 7.771 19.333 -5.242 1.00 0.00 C ATOM 748 O LEU A 53 8.489 18.842 -6.116 1.00 0.00 O ATOM 749 CB LEU A 53 7.482 21.825 -5.317 1.00 0.00 C ATOM 750 CG LEU A 53 6.724 23.043 -5.859 1.00 0.00 C ATOM 751 CD1 LEU A 53 6.302 23.964 -4.723 1.00 0.00 C ATOM 752 CD2 LEU A 53 7.577 23.797 -6.873 1.00 0.00 C ATOM 0 H LEU A 53 5.493 21.015 -4.035 1.00 0.00 H new ATOM 0 HA LEU A 53 6.555 20.406 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.613 21.946 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.478 21.810 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 53 5.824 22.689 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.766 24.821 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.651 23.421 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.186 24.310 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.022 24.658 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.496 24.137 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.824 23.136 -7.704 1.00 0.00 H new ATOM 764 N TYR A 54 7.782 18.914 -3.974 1.00 0.00 N ATOM 765 CA TYR A 54 8.655 17.828 -3.533 1.00 0.00 C ATOM 766 C TYR A 54 7.854 16.732 -2.831 1.00 0.00 C ATOM 767 O TYR A 54 7.074 17.009 -1.918 1.00 0.00 O ATOM 768 CB TYR A 54 9.742 18.363 -2.597 1.00 0.00 C ATOM 769 CG TYR A 54 11.148 18.174 -3.128 1.00 0.00 C ATOM 770 CD1 TYR A 54 11.623 16.910 -3.460 1.00 0.00 C ATOM 771 CD2 TYR A 54 11.999 19.260 -3.298 1.00 0.00 C ATOM 772 CE1 TYR A 54 12.904 16.736 -3.945 1.00 0.00 C ATOM 773 CE2 TYR A 54 13.282 19.092 -3.782 1.00 0.00 C ATOM 774 CZ TYR A 54 13.730 17.828 -4.105 1.00 0.00 C ATOM 775 OH TYR A 54 15.008 17.657 -4.588 1.00 0.00 O ATOM 0 H TYR A 54 7.197 19.310 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 54 9.127 17.397 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.569 19.425 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.657 17.863 -1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.980 16.051 -3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.651 20.251 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.258 15.747 -4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 54 13.931 19.946 -3.907 1.00 0.00 H new ATOM 0 HH TYR A 54 15.457 18.527 -4.641 1.00 0.00 H new ATOM 785 N ASP A 55 8.055 15.488 -3.266 1.00 0.00 N ATOM 786 CA ASP A 55 7.357 14.341 -2.686 1.00 0.00 C ATOM 787 C ASP A 55 8.321 13.462 -1.891 1.00 0.00 C ATOM 788 O ASP A 55 9.387 13.091 -2.386 1.00 0.00 O ATOM 789 CB ASP A 55 6.688 13.516 -3.790 1.00 0.00 C ATOM 790 CG ASP A 55 5.385 14.132 -4.267 1.00 0.00 C ATOM 791 OD1 ASP A 55 5.423 15.249 -4.829 1.00 0.00 O ATOM 792 OD2 ASP A 55 4.326 13.497 -4.082 1.00 0.00 O ATOM 0 H ASP A 55 8.698 15.249 -4.021 1.00 0.00 H new ATOM 0 HA ASP A 55 6.592 14.716 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.372 13.422 -4.634 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.496 12.509 -3.421 1.00 0.00 H new ATOM 797 N HIS A 56 7.941 13.133 -0.655 1.00 0.00 N ATOM 798 CA HIS A 56 8.778 12.300 0.207 1.00 0.00 C ATOM 799 C HIS A 56 7.929 11.334 1.035 1.00 0.00 C ATOM 800 O HIS A 56 7.242 11.745 1.971 1.00 0.00 O ATOM 801 CB HIS A 56 9.625 13.182 1.132 1.00 0.00 C ATOM 802 CG HIS A 56 10.971 12.607 1.457 1.00 0.00 C ATOM 803 ND1 HIS A 56 11.346 11.318 1.134 1.00 0.00 N ATOM 804 CD2 HIS A 56 12.040 13.160 2.080 1.00 0.00 C ATOM 805 CE1 HIS A 56 12.582 11.103 1.547 1.00 0.00 C ATOM 806 NE2 HIS A 56 13.025 12.205 2.123 1.00 0.00 N ATOM 0 H HIS A 56 7.062 13.430 -0.231 1.00 0.00 H new ATOM 0 HA HIS A 56 9.438 11.711 -0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.761 14.157 0.664 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.078 13.348 2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 56 12.105 14.165 2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.136 10.183 1.433 1.00 0.00 H new ATOM 0 HE2 HIS A 56 13.951 12.327 2.534 1.00 0.00 H new ATOM 815 N ILE A 57 7.992 10.049 0.686 1.00 0.00 N ATOM 816 CA ILE A 57 7.241 9.016 1.394 1.00 0.00 C ATOM 817 C ILE A 57 7.979 7.682 1.336 1.00 0.00 C ATOM 818 O ILE A 57 8.355 7.219 0.258 1.00 0.00 O ATOM 819 CB ILE A 57 5.820 8.828 0.813 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.874 8.635 -0.708 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.934 10.012 1.173 1.00 0.00 C ATOM 822 CD1 ILE A 57 5.703 7.196 -1.141 1.00 0.00 C ATOM 0 H ILE A 57 8.559 9.699 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 57 7.150 9.348 2.428 1.00 0.00 H new ATOM 0 HB ILE A 57 5.388 7.929 1.254 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.094 9.240 -1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.829 9.007 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.938 9.862 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.864 10.097 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.365 10.926 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.752 7.135 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.497 6.589 -0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.736 6.826 -0.800 1.00 0.00 H new ATOM 834 N ASN A 58 8.186 7.070 2.499 1.00 0.00 N ATOM 835 CA ASN A 58 8.881 5.790 2.571 1.00 0.00 C ATOM 836 C ASN A 58 7.891 4.635 2.721 1.00 0.00 C ATOM 837 O ASN A 58 6.730 4.843 3.076 1.00 0.00 O ATOM 838 CB ASN A 58 9.879 5.788 3.732 1.00 0.00 C ATOM 839 CG ASN A 58 11.189 5.114 3.371 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.590 4.136 4.001 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.866 5.635 2.353 1.00 0.00 N ATOM 0 H ASN A 58 7.883 7.439 3.401 1.00 0.00 H new ATOM 0 HA ASN A 58 9.427 5.650 1.638 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.075 6.815 4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.435 5.278 4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.754 5.223 2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.497 6.447 1.858 1.00 0.00 H new ATOM 848 N VAL A 59 8.356 3.419 2.440 1.00 0.00 N ATOM 849 CA VAL A 59 7.506 2.233 2.533 1.00 0.00 C ATOM 850 C VAL A 59 8.227 1.074 3.229 1.00 0.00 C ATOM 851 O VAL A 59 9.456 0.982 3.191 1.00 0.00 O ATOM 852 CB VAL A 59 7.032 1.788 1.131 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.213 1.369 0.264 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.006 0.667 1.232 1.00 0.00 C ATOM 0 H VAL A 59 9.314 3.229 2.147 1.00 0.00 H new ATOM 0 HA VAL A 59 6.638 2.505 3.134 1.00 0.00 H new ATOM 0 HB VAL A 59 6.550 2.641 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.853 1.060 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.898 2.209 0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.735 0.537 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.689 0.373 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.451 -0.189 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.142 1.014 1.799 1.00 0.00 H new ATOM 864 N LEU A 60 7.449 0.194 3.864 1.00 0.00 N ATOM 865 CA LEU A 60 8.002 -0.958 4.572 1.00 0.00 C ATOM 866 C LEU A 60 7.715 -2.251 3.814 1.00 0.00 C ATOM 867 O LEU A 60 6.578 -2.508 3.411 1.00 0.00 O ATOM 868 CB LEU A 60 7.416 -1.042 5.986 1.00 0.00 C ATOM 869 CG LEU A 60 8.388 -1.516 7.071 1.00 0.00 C ATOM 870 CD1 LEU A 60 8.906 -2.914 6.761 1.00 0.00 C ATOM 871 CD2 LEU A 60 9.543 -0.535 7.220 1.00 0.00 C ATOM 0 H LEU A 60 6.432 0.260 3.901 1.00 0.00 H new ATOM 0 HA LEU A 60 9.082 -0.829 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.039 -0.058 6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.561 -1.718 5.967 1.00 0.00 H new ATOM 0 HG LEU A 60 7.848 -1.557 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.594 -3.229 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.068 -3.610 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.427 -2.905 5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.223 -0.888 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.079 -0.458 6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.155 0.445 7.497 1.00 0.00 H new ATOM 883 N ARG A 61 8.753 -3.063 3.626 1.00 0.00 N ATOM 884 CA ARG A 61 8.621 -4.334 2.919 1.00 0.00 C ATOM 885 C ARG A 61 8.833 -5.517 3.864 1.00 0.00 C ATOM 886 O ARG A 61 9.645 -5.447 4.787 1.00 0.00 O ATOM 887 CB ARG A 61 9.620 -4.404 1.758 1.00 0.00 C ATOM 888 CG ARG A 61 11.075 -4.261 2.184 1.00 0.00 C ATOM 889 CD ARG A 61 11.823 -3.270 1.304 1.00 0.00 C ATOM 890 NE ARG A 61 12.712 -2.404 2.081 1.00 0.00 N ATOM 891 CZ ARG A 61 13.615 -1.581 1.541 1.00 0.00 C ATOM 892 NH1 ARG A 61 13.757 -1.505 0.220 1.00 0.00 N ATOM 893 NH2 ARG A 61 14.378 -0.831 2.328 1.00 0.00 N ATOM 0 H ARG A 61 9.697 -2.862 3.955 1.00 0.00 H new ATOM 0 HA ARG A 61 7.608 -4.393 2.522 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.495 -5.356 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.383 -3.618 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.120 -3.932 3.222 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.566 -5.233 2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.406 -3.814 0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.106 -2.657 0.759 1.00 0.00 H new ATOM 0 HE ARG A 61 12.637 -2.431 3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.174 -2.078 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.449 -0.874 -0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.273 -0.885 3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.069 -0.201 1.919 1.00 0.00 H new ATOM 907 N ASN A 62 8.102 -6.606 3.619 1.00 0.00 N ATOM 908 CA ASN A 62 8.211 -7.815 4.441 1.00 0.00 C ATOM 909 C ASN A 62 9.527 -8.567 4.183 1.00 0.00 C ATOM 910 O ASN A 62 9.809 -9.571 4.840 1.00 0.00 O ATOM 911 CB ASN A 62 7.021 -8.747 4.172 1.00 0.00 C ATOM 912 CG ASN A 62 6.544 -9.465 5.422 1.00 0.00 C ATOM 913 OD1 ASN A 62 5.407 -9.285 5.858 1.00 0.00 O ATOM 914 ND2 ASN A 62 7.409 -10.289 6.006 1.00 0.00 N ATOM 0 H ASN A 62 7.427 -6.677 2.857 1.00 0.00 H new ATOM 0 HA ASN A 62 8.204 -7.501 5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.198 -8.167 3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.305 -9.484 3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.139 -10.799 6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.342 -10.411 5.613 1.00 0.00 H new ATOM 921 N GLY A 63 10.328 -8.082 3.228 1.00 0.00 N ATOM 922 CA GLY A 63 11.589 -8.731 2.911 1.00 0.00 C ATOM 923 C GLY A 63 11.592 -9.378 1.535 1.00 0.00 C ATOM 924 O GLY A 63 12.373 -10.298 1.280 1.00 0.00 O ATOM 0 H GLY A 63 10.123 -7.252 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.393 -7.997 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.801 -9.490 3.664 1.00 0.00 H new ATOM 928 N GLU A 64 10.726 -8.894 0.642 1.00 0.00 N ATOM 929 CA GLU A 64 10.638 -9.426 -0.712 1.00 0.00 C ATOM 930 C GLU A 64 11.423 -8.553 -1.686 1.00 0.00 C ATOM 931 O GLU A 64 11.672 -7.375 -1.419 1.00 0.00 O ATOM 932 CB GLU A 64 9.176 -9.521 -1.156 1.00 0.00 C ATOM 933 CG GLU A 64 8.808 -10.872 -1.747 1.00 0.00 C ATOM 934 CD GLU A 64 8.785 -11.978 -0.709 1.00 0.00 C ATOM 935 OE1 GLU A 64 9.873 -12.455 -0.321 1.00 0.00 O ATOM 936 OE2 GLU A 64 7.678 -12.367 -0.281 1.00 0.00 O ATOM 0 H GLU A 64 10.076 -8.133 0.837 1.00 0.00 H new ATOM 0 HA GLU A 64 11.072 -10.426 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.531 -9.320 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.978 -8.744 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.828 -10.803 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.522 -11.128 -2.530 1.00 0.00 H new ATOM 943 N ALA A 65 11.807 -9.140 -2.815 1.00 0.00 N ATOM 944 CA ALA A 65 12.564 -8.423 -3.836 1.00 0.00 C ATOM 945 C ALA A 65 11.657 -7.955 -4.973 1.00 0.00 C ATOM 946 O ALA A 65 11.275 -8.746 -5.837 1.00 0.00 O ATOM 947 CB ALA A 65 13.689 -9.296 -4.377 1.00 0.00 C ATOM 0 H ALA A 65 11.606 -10.113 -3.047 1.00 0.00 H new ATOM 0 HA ALA A 65 13.000 -7.539 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.243 -8.746 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.362 -9.568 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.268 -10.200 -4.818 1.00 0.00 H new ATOM 953 N ALA A 66 11.328 -6.661 -4.964 1.00 0.00 N ATOM 954 CA ALA A 66 10.475 -6.057 -5.991 1.00 0.00 C ATOM 955 C ALA A 66 9.092 -6.707 -6.040 1.00 0.00 C ATOM 956 O ALA A 66 8.931 -7.813 -6.559 1.00 0.00 O ATOM 957 CB ALA A 66 11.146 -6.135 -7.354 1.00 0.00 C ATOM 0 H ALA A 66 11.643 -6.005 -4.249 1.00 0.00 H new ATOM 0 HA ALA A 66 10.335 -5.010 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.499 -5.682 -8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.095 -5.600 -7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.325 -7.179 -7.612 1.00 0.00 H new ATOM 963 N ALA A 67 8.095 -6.004 -5.503 1.00 0.00 N ATOM 964 CA ALA A 67 6.723 -6.501 -5.489 1.00 0.00 C ATOM 965 C ALA A 67 5.863 -5.763 -6.514 1.00 0.00 C ATOM 966 O ALA A 67 5.900 -4.534 -6.596 1.00 0.00 O ATOM 967 CB ALA A 67 6.125 -6.355 -4.097 1.00 0.00 C ATOM 0 H ALA A 67 8.214 -5.087 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 67 6.741 -7.557 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.101 -6.729 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.719 -6.927 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.126 -5.304 -3.809 1.00 0.00 H new ATOM 973 N LEU A 68 5.083 -6.522 -7.288 1.00 0.00 N ATOM 974 CA LEU A 68 4.203 -5.946 -8.307 1.00 0.00 C ATOM 975 C LEU A 68 3.350 -7.027 -8.973 1.00 0.00 C ATOM 976 O LEU A 68 2.136 -7.083 -8.770 1.00 0.00 O ATOM 977 CB LEU A 68 5.014 -5.192 -9.371 1.00 0.00 C ATOM 978 CG LEU A 68 4.422 -3.848 -9.808 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.491 -2.973 -10.445 1.00 0.00 C ATOM 980 CD2 LEU A 68 3.263 -4.059 -10.772 1.00 0.00 C ATOM 0 H LEU A 68 5.043 -7.539 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 68 3.541 -5.240 -7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.019 -5.021 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.114 -5.830 -10.249 1.00 0.00 H new ATOM 0 HG LEU A 68 4.043 -3.339 -8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.051 -2.023 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.288 -2.790 -9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.901 -3.478 -11.319 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.857 -3.092 -11.070 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.616 -4.592 -11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.485 -4.644 -10.282 1.00 0.00 H new ATOM 992 N GLY A 69 3.991 -7.883 -9.767 1.00 0.00 N ATOM 993 CA GLY A 69 3.275 -8.945 -10.450 1.00 0.00 C ATOM 994 C GLY A 69 3.291 -10.247 -9.674 1.00 0.00 C ATOM 995 O GLY A 69 3.863 -11.238 -10.130 1.00 0.00 O ATOM 0 H GLY A 69 4.994 -7.859 -9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.243 -8.636 -10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.720 -9.105 -11.432 1.00 0.00 H new ATOM 999 N GLU A 70 2.670 -10.244 -8.493 1.00 0.00 N ATOM 1000 CA GLU A 70 2.625 -11.436 -7.651 1.00 0.00 C ATOM 1001 C GLU A 70 1.264 -11.604 -6.969 1.00 0.00 C ATOM 1002 O GLU A 70 1.190 -11.862 -5.767 1.00 0.00 O ATOM 1003 CB GLU A 70 3.743 -11.377 -6.607 1.00 0.00 C ATOM 1004 CG GLU A 70 4.758 -12.502 -6.734 1.00 0.00 C ATOM 1005 CD GLU A 70 6.192 -12.036 -6.553 1.00 0.00 C ATOM 1006 OE1 GLU A 70 6.410 -11.018 -5.862 1.00 0.00 O ATOM 1007 OE2 GLU A 70 7.101 -12.694 -7.102 1.00 0.00 O ATOM 0 H GLU A 70 2.194 -9.432 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 70 2.774 -12.304 -8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.260 -10.421 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.300 -11.410 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.536 -13.269 -5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.655 -12.967 -7.714 1.00 0.00 H new ATOM 1014 N ALA A 71 0.187 -11.464 -7.745 1.00 0.00 N ATOM 1015 CA ALA A 71 -1.171 -11.612 -7.218 1.00 0.00 C ATOM 1016 C ALA A 71 -1.342 -12.927 -6.446 1.00 0.00 C ATOM 1017 O ALA A 71 -2.165 -13.011 -5.535 1.00 0.00 O ATOM 1018 CB ALA A 71 -2.183 -11.535 -8.352 1.00 0.00 C ATOM 0 H ALA A 71 0.229 -11.248 -8.741 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.346 -10.794 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.190 -11.646 -7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.097 -10.570 -8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.988 -12.333 -9.068 1.00 0.00 H new ATOM 1024 N THR A 72 -0.561 -13.947 -6.815 1.00 0.00 N ATOM 1025 CA THR A 72 -0.627 -15.251 -6.153 1.00 0.00 C ATOM 1026 C THR A 72 0.481 -15.398 -5.102 1.00 0.00 C ATOM 1027 O THR A 72 1.000 -16.496 -4.884 1.00 0.00 O ATOM 1028 CB THR A 72 -0.520 -16.378 -7.190 1.00 0.00 C ATOM 1029 OG1 THR A 72 0.274 -15.979 -8.299 1.00 0.00 O ATOM 1030 CG2 THR A 72 -1.865 -16.834 -7.722 1.00 0.00 C ATOM 0 H THR A 72 0.124 -13.894 -7.569 1.00 0.00 H new ATOM 0 HA THR A 72 -1.589 -15.321 -5.644 1.00 0.00 H new ATOM 0 HB THR A 72 -0.057 -17.210 -6.659 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.328 -16.715 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.717 -17.632 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.476 -17.203 -6.898 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.370 -15.995 -8.201 1.00 0.00 H new ATOM 1038 N ALA A 73 0.841 -14.289 -4.452 1.00 0.00 N ATOM 1039 CA ALA A 73 1.885 -14.298 -3.430 1.00 0.00 C ATOM 1040 C ALA A 73 1.292 -14.408 -2.026 1.00 0.00 C ATOM 1041 O ALA A 73 0.074 -14.369 -1.851 1.00 0.00 O ATOM 1042 CB ALA A 73 2.742 -13.044 -3.545 1.00 0.00 C ATOM 0 H ALA A 73 0.423 -13.373 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 73 2.510 -15.175 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.517 -13.061 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.207 -13.010 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.116 -12.162 -3.409 1.00 0.00 H new ATOM 1048 N ALA A 74 2.167 -14.546 -1.028 1.00 0.00 N ATOM 1049 CA ALA A 74 1.739 -14.662 0.365 1.00 0.00 C ATOM 1050 C ALA A 74 1.606 -13.287 1.027 1.00 0.00 C ATOM 1051 O ALA A 74 0.738 -13.085 1.878 1.00 0.00 O ATOM 1052 CB ALA A 74 2.712 -15.536 1.145 1.00 0.00 C ATOM 0 H ALA A 74 3.178 -14.580 -1.160 1.00 0.00 H new ATOM 0 HA ALA A 74 0.755 -15.131 0.375 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.381 -15.614 2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.746 -16.530 0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.706 -15.090 1.114 1.00 0.00 H new ATOM 1058 N GLY A 75 2.471 -12.351 0.634 1.00 0.00 N ATOM 1059 CA GLY A 75 2.434 -11.010 1.197 1.00 0.00 C ATOM 1060 C GLY A 75 2.883 -9.952 0.204 1.00 0.00 C ATOM 1061 O GLY A 75 3.594 -10.261 -0.754 1.00 0.00 O ATOM 0 H GLY A 75 3.198 -12.499 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.420 -10.786 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.074 -10.971 2.079 1.00 0.00 H new ATOM 1065 N ASP A 76 2.473 -8.702 0.431 1.00 0.00 N ATOM 1066 CA ASP A 76 2.848 -7.602 -0.455 1.00 0.00 C ATOM 1067 C ASP A 76 3.841 -6.671 0.234 1.00 0.00 C ATOM 1068 O ASP A 76 5.031 -6.674 -0.087 1.00 0.00 O ATOM 1069 CB ASP A 76 1.610 -6.823 -0.910 1.00 0.00 C ATOM 1070 CG ASP A 76 0.526 -7.729 -1.462 1.00 0.00 C ATOM 1071 OD1 ASP A 76 0.548 -8.009 -2.676 1.00 0.00 O ATOM 1072 OD2 ASP A 76 -0.344 -8.157 -0.680 1.00 0.00 O ATOM 0 H ASP A 76 1.884 -8.429 1.218 1.00 0.00 H new ATOM 0 HA ASP A 76 3.328 -8.026 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.212 -6.256 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.899 -6.101 -1.673 1.00 0.00 H new ATOM 1077 N GLU A 77 3.351 -5.889 1.193 1.00 0.00 N ATOM 1078 CA GLU A 77 4.200 -4.964 1.942 1.00 0.00 C ATOM 1079 C GLU A 77 3.812 -4.967 3.422 1.00 0.00 C ATOM 1080 O GLU A 77 2.991 -5.781 3.852 1.00 0.00 O ATOM 1081 CB GLU A 77 4.112 -3.547 1.355 1.00 0.00 C ATOM 1082 CG GLU A 77 2.693 -3.027 1.196 1.00 0.00 C ATOM 1083 CD GLU A 77 2.549 -1.578 1.624 1.00 0.00 C ATOM 1084 OE1 GLU A 77 2.370 -1.332 2.836 1.00 0.00 O ATOM 1085 OE2 GLU A 77 2.613 -0.690 0.749 1.00 0.00 O ATOM 0 H GLU A 77 2.370 -5.877 1.470 1.00 0.00 H new ATOM 0 HA GLU A 77 5.234 -5.298 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.668 -2.864 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.602 -3.538 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.389 -3.126 0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.016 -3.645 1.786 1.00 0.00 H new ATOM 1092 N LEU A 78 4.410 -4.066 4.199 1.00 0.00 N ATOM 1093 CA LEU A 78 4.124 -3.982 5.628 1.00 0.00 C ATOM 1094 C LEU A 78 3.314 -2.728 5.951 1.00 0.00 C ATOM 1095 O LEU A 78 2.259 -2.808 6.581 1.00 0.00 O ATOM 1096 CB LEU A 78 5.429 -3.988 6.431 1.00 0.00 C ATOM 1097 CG LEU A 78 5.544 -5.095 7.482 1.00 0.00 C ATOM 1098 CD1 LEU A 78 4.473 -4.932 8.550 1.00 0.00 C ATOM 1099 CD2 LEU A 78 5.443 -6.467 6.829 1.00 0.00 C ATOM 0 H LEU A 78 5.093 -3.387 3.864 1.00 0.00 H new ATOM 0 HA LEU A 78 3.531 -4.853 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.264 -4.081 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.535 -3.024 6.929 1.00 0.00 H new ATOM 0 HG LEU A 78 6.520 -5.013 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.571 -5.728 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.592 -3.966 9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.487 -4.985 8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.527 -7.240 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.482 -6.559 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.248 -6.585 6.103 1.00 0.00 H new ATOM 1111 N ALA A 79 3.818 -1.575 5.517 1.00 0.00 N ATOM 1112 CA ALA A 79 3.147 -0.300 5.759 1.00 0.00 C ATOM 1113 C ALA A 79 3.718 0.797 4.858 1.00 0.00 C ATOM 1114 O ALA A 79 4.703 0.581 4.153 1.00 0.00 O ATOM 1115 CB ALA A 79 3.287 0.092 7.224 1.00 0.00 C ATOM 0 H ALA A 79 4.691 -1.498 4.995 1.00 0.00 H new ATOM 0 HA ALA A 79 2.090 -0.416 5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.784 1.044 7.396 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.834 -0.676 7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.343 0.189 7.475 1.00 0.00 H new ATOM 1121 N LEU A 80 3.097 1.975 4.896 1.00 0.00 N ATOM 1122 CA LEU A 80 3.544 3.113 4.095 1.00 0.00 C ATOM 1123 C LEU A 80 3.534 4.389 4.938 1.00 0.00 C ATOM 1124 O LEU A 80 2.500 5.044 5.080 1.00 0.00 O ATOM 1125 CB LEU A 80 2.644 3.288 2.863 1.00 0.00 C ATOM 1126 CG LEU A 80 3.358 3.720 1.578 1.00 0.00 C ATOM 1127 CD1 LEU A 80 2.382 3.735 0.412 1.00 0.00 C ATOM 1128 CD2 LEU A 80 3.999 5.091 1.751 1.00 0.00 C ATOM 0 H LEU A 80 2.280 2.166 5.475 1.00 0.00 H new ATOM 0 HA LEU A 80 4.563 2.921 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.131 2.345 2.673 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.877 4.026 3.097 1.00 0.00 H new ATOM 0 HG LEU A 80 4.147 2.999 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.903 4.044 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.969 2.736 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.574 4.436 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.500 5.378 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.229 5.825 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.727 5.053 2.561 1.00 0.00 H new ATOM 1140 N PHE A 81 4.690 4.728 5.506 1.00 0.00 N ATOM 1141 CA PHE A 81 4.814 5.918 6.347 1.00 0.00 C ATOM 1142 C PHE A 81 6.011 6.773 5.925 1.00 0.00 C ATOM 1143 O PHE A 81 7.017 6.248 5.443 1.00 0.00 O ATOM 1144 CB PHE A 81 4.956 5.513 7.820 1.00 0.00 C ATOM 1145 CG PHE A 81 3.646 5.410 8.554 1.00 0.00 C ATOM 1146 CD1 PHE A 81 2.679 4.500 8.155 1.00 0.00 C ATOM 1147 CD2 PHE A 81 3.385 6.222 9.646 1.00 0.00 C ATOM 1148 CE1 PHE A 81 1.477 4.403 8.831 1.00 0.00 C ATOM 1149 CE2 PHE A 81 2.185 6.130 10.326 1.00 0.00 C ATOM 1150 CZ PHE A 81 1.231 5.220 9.918 1.00 0.00 C ATOM 0 H PHE A 81 5.554 4.196 5.399 1.00 0.00 H new ATOM 0 HA PHE A 81 3.909 6.513 6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.468 4.552 7.875 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.589 6.241 8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.867 3.859 7.306 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.128 6.936 9.970 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.732 3.690 8.510 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.994 6.769 11.175 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.293 5.146 10.448 1.00 0.00 H new ATOM 1160 N PRO A 82 5.921 8.107 6.105 1.00 0.00 N ATOM 1161 CA PRO A 82 7.004 9.028 5.740 1.00 0.00 C ATOM 1162 C PRO A 82 8.204 8.929 6.688 1.00 0.00 C ATOM 1163 O PRO A 82 8.042 8.636 7.874 1.00 0.00 O ATOM 1164 CB PRO A 82 6.349 10.407 5.848 1.00 0.00 C ATOM 1165 CG PRO A 82 5.258 10.230 6.848 1.00 0.00 C ATOM 1166 CD PRO A 82 4.759 8.820 6.675 1.00 0.00 C ATOM 0 HA PRO A 82 7.407 8.808 4.752 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.065 11.161 6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.955 10.735 4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.627 10.391 7.861 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.457 10.950 6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.449 8.385 7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.897 8.779 6.009 1.00 0.00 H new ATOM 1174 N PRO A 83 9.425 9.172 6.172 1.00 0.00 N ATOM 1175 CA PRO A 83 10.652 9.108 6.976 1.00 0.00 C ATOM 1176 C PRO A 83 10.792 10.299 7.925 1.00 0.00 C ATOM 1177 O PRO A 83 10.583 11.446 7.527 1.00 0.00 O ATOM 1178 CB PRO A 83 11.762 9.124 5.922 1.00 0.00 C ATOM 1179 CG PRO A 83 11.173 9.853 4.763 1.00 0.00 C ATOM 1180 CD PRO A 83 9.703 9.527 4.765 1.00 0.00 C ATOM 0 HA PRO A 83 10.672 8.232 7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.654 9.627 6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.059 8.113 5.644 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.334 10.927 4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.640 9.541 3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 83 9.104 10.378 4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 83 9.475 8.701 4.091 1.00 0.00 H new ATOM 1188 N VAL A 84 11.144 10.017 9.181 1.00 0.00 N ATOM 1189 CA VAL A 84 11.308 11.060 10.188 1.00 0.00 C ATOM 1190 C VAL A 84 12.476 11.985 9.848 1.00 0.00 C ATOM 1191 O VAL A 84 13.516 11.535 9.362 1.00 0.00 O ATOM 1192 CB VAL A 84 11.529 10.460 11.592 1.00 0.00 C ATOM 1193 CG1 VAL A 84 10.223 9.920 12.154 1.00 0.00 C ATOM 1194 CG2 VAL A 84 12.598 9.375 11.566 1.00 0.00 C ATOM 0 H VAL A 84 11.321 9.072 9.523 1.00 0.00 H new ATOM 0 HA VAL A 84 10.384 11.639 10.191 1.00 0.00 H new ATOM 0 HB VAL A 84 11.882 11.257 12.247 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.399 9.501 13.145 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.496 10.729 12.226 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.837 9.143 11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 84 12.731 8.971 12.570 1.00 0.00 H new ATOM 0 HG22 VAL A 84 12.289 8.576 10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 84 13.539 9.800 11.218 1.00 0.00 H new ATOM 1204 N SER A 85 12.296 13.281 10.103 1.00 0.00 N ATOM 1205 CA SER A 85 13.335 14.270 9.820 1.00 0.00 C ATOM 1206 C SER A 85 13.534 15.222 11.001 1.00 0.00 C ATOM 1207 O SER A 85 14.547 15.148 11.699 1.00 0.00 O ATOM 1208 CB SER A 85 12.982 15.062 8.558 1.00 0.00 C ATOM 1209 OG SER A 85 11.630 15.488 8.583 1.00 0.00 O ATOM 0 H SER A 85 11.442 13.669 10.504 1.00 0.00 H new ATOM 0 HA SER A 85 14.271 13.736 9.657 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.638 15.929 8.474 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.155 14.444 7.677 1.00 0.00 H new ATOM 0 HG SER A 85 11.431 15.993 7.767 1.00 0.00 H new ATOM 1215 N GLY A 86 12.567 16.115 11.218 1.00 0.00 N ATOM 1216 CA GLY A 86 12.662 17.066 12.314 1.00 0.00 C ATOM 1217 C GLY A 86 11.693 18.226 12.170 1.00 0.00 C ATOM 1218 O GLY A 86 10.795 18.193 11.325 1.00 0.00 O ATOM 0 H GLY A 86 11.721 16.196 10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.468 16.551 13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.680 17.453 12.367 1.00 0.00 H new ATOM 1222 N GLY A 87 11.876 19.256 12.997 1.00 0.00 N ATOM 1223 CA GLY A 87 11.007 20.421 12.947 1.00 0.00 C ATOM 1224 C GLY A 87 11.714 21.697 13.366 1.00 0.00 C ATOM 1225 O GLY A 87 12.590 21.629 14.255 1.00 0.00 O ATOM 0 H GLY A 87 12.612 19.303 13.701 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.623 20.539 11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.148 20.256 13.597 1.00 0.00 H new TER 1229 GLY A 87