USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 735 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 25 ASN : amide:sc= -0.0842 X(o=-0.084,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.178 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -3.37! C(o=-4!,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.337 K(o=0.34,f=-4.2!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.36) USER MOD Single : A 58 SER OG : rot 15:sc= 0.914 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 63 MET CE :methyl -167:sc= 0 (180deg=-0.121) USER MOD Single : A 65 GLN : amide:sc= -5.34! C(o=-5.3!,f=-5.2!) USER MOD Single : A 66 MET CE :methyl -176:sc= -3.19 (180deg=-3.47!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -26:sc= 0.0728 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.0541 X(o=-0.054,f=-0.0067) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 94 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.3) USER MOD Single : A 95 SER OG : rot -36:sc= 0.263 USER MOD Single : A 100 ASN :FLIP amide:sc= 0.714 F(o=-0.18,f=0.71) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.0272 F(o=-1.9,f=-0.027) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.3!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -120:sc= -0.29 USER MOD Single : A 117 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 120 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.7) USER MOD Single : A 122 SER OG : rot 150:sc= 0 USER MOD Single : A 130 THR OG1 : rot 49:sc= 0.404 USER MOD Single : A 131 SER OG : rot -13:sc= 0.373! USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 144 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 146 THR OG1 : rot 78:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 6.688 -9.147 4.895 1.00 0.00 N ATOM 17 CA ILE A 22 5.755 -8.539 3.956 1.00 0.00 C ATOM 18 C ILE A 22 6.390 -7.355 3.237 1.00 0.00 C ATOM 19 O ILE A 22 6.704 -6.337 3.854 1.00 0.00 O ATOM 20 CB ILE A 22 4.471 -8.066 4.665 1.00 0.00 C ATOM 21 CG1 ILE A 22 3.791 -9.239 5.374 1.00 0.00 C ATOM 22 CG2 ILE A 22 3.521 -7.420 3.668 1.00 0.00 C ATOM 23 CD1 ILE A 22 3.306 -10.317 4.428 1.00 0.00 C ATOM 0 HA ILE A 22 5.497 -9.307 3.227 1.00 0.00 H new ATOM 0 HB ILE A 22 4.742 -7.321 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.491 -9.678 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.945 -8.864 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.619 -7.092 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.008 -6.561 3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.254 -8.144 2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.835 -11.117 4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.582 -9.892 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.152 -10.719 3.870 1.00 0.00 H new ATOM 34 N ASP A 23 6.576 -7.495 1.929 1.00 0.00 N ATOM 35 CA ASP A 23 7.173 -6.435 1.125 1.00 0.00 C ATOM 36 C ASP A 23 6.099 -5.505 0.568 1.00 0.00 C ATOM 37 O ASP A 23 5.112 -5.958 -0.014 1.00 0.00 O ATOM 38 CB ASP A 23 7.990 -7.034 -0.021 1.00 0.00 C ATOM 39 CG ASP A 23 9.483 -6.951 0.227 1.00 0.00 C ATOM 40 OD1 ASP A 23 9.936 -7.427 1.288 1.00 0.00 O ATOM 41 OD2 ASP A 23 10.199 -6.411 -0.642 1.00 0.00 O ATOM 0 H ASP A 23 6.322 -8.331 1.403 1.00 0.00 H new ATOM 0 HA ASP A 23 7.834 -5.854 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.705 -8.077 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.749 -6.512 -0.947 1.00 0.00 H new ATOM 45 N LEU A 24 6.296 -4.205 0.752 1.00 0.00 N ATOM 46 CA LEU A 24 5.345 -3.210 0.269 1.00 0.00 C ATOM 47 C LEU A 24 5.863 -2.527 -0.993 1.00 0.00 C ATOM 48 O LEU A 24 7.070 -2.451 -1.220 1.00 0.00 O ATOM 49 CB LEU A 24 5.075 -2.165 1.353 1.00 0.00 C ATOM 50 CG LEU A 24 3.933 -2.481 2.320 1.00 0.00 C ATOM 51 CD1 LEU A 24 2.617 -2.609 1.569 1.00 0.00 C ATOM 52 CD2 LEU A 24 4.231 -3.755 3.099 1.00 0.00 C ATOM 0 H LEU A 24 7.106 -3.814 1.233 1.00 0.00 H new ATOM 0 HA LEU A 24 4.414 -3.722 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.988 -2.028 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.860 -1.213 0.867 1.00 0.00 H new ATOM 0 HG LEU A 24 3.844 -1.658 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.816 -2.834 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.397 -1.672 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.693 -3.413 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.408 -3.965 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.347 -4.587 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.151 -3.626 3.669 1.00 0.00 H new ATOM 63 N ASN A 25 4.942 -2.030 -1.811 1.00 0.00 N ATOM 64 CA ASN A 25 5.305 -1.352 -3.051 1.00 0.00 C ATOM 65 C ASN A 25 4.481 -0.081 -3.238 1.00 0.00 C ATOM 66 O ASN A 25 3.277 -0.068 -2.984 1.00 0.00 O ATOM 67 CB ASN A 25 5.103 -2.285 -4.246 1.00 0.00 C ATOM 68 CG ASN A 25 5.512 -1.643 -5.556 1.00 0.00 C ATOM 69 OD1 ASN A 25 6.673 -1.717 -5.961 1.00 0.00 O ATOM 70 ND2 ASN A 25 4.558 -1.009 -6.228 1.00 0.00 N ATOM 0 H ASN A 25 3.938 -2.084 -1.638 1.00 0.00 H new ATOM 0 HA ASN A 25 6.358 -1.075 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.682 -3.196 -4.094 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.055 -2.579 -4.300 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.774 -0.558 -7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.609 -0.973 -5.855 1.00 0.00 H new ATOM 76 N ILE A 26 5.139 0.983 -3.683 1.00 0.00 N ATOM 77 CA ILE A 26 4.467 2.258 -3.905 1.00 0.00 C ATOM 78 C ILE A 26 4.873 2.866 -5.245 1.00 0.00 C ATOM 79 O ILE A 26 6.059 3.048 -5.523 1.00 0.00 O ATOM 80 CB ILE A 26 4.780 3.263 -2.782 1.00 0.00 C ATOM 81 CG1 ILE A 26 4.625 2.595 -1.413 1.00 0.00 C ATOM 82 CG2 ILE A 26 3.870 4.477 -2.890 1.00 0.00 C ATOM 83 CD1 ILE A 26 5.905 1.976 -0.896 1.00 0.00 C ATOM 0 H ILE A 26 6.136 0.988 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 26 3.396 2.054 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 26 5.812 3.596 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.272 3.335 -0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.858 1.823 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.103 5.179 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.024 4.962 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.830 4.161 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.722 1.521 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.248 1.213 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.669 2.748 -0.798 1.00 0.00 H new ATOM 94 N THR A 27 3.879 3.182 -6.071 1.00 0.00 N ATOM 95 CA THR A 27 4.133 3.771 -7.379 1.00 0.00 C ATOM 96 C THR A 27 3.999 5.290 -7.334 1.00 0.00 C ATOM 97 O THR A 27 3.859 5.878 -6.261 1.00 0.00 O ATOM 98 CB THR A 27 3.166 3.214 -8.442 1.00 0.00 C ATOM 99 OG1 THR A 27 3.642 3.537 -9.753 1.00 0.00 O ATOM 100 CG2 THR A 27 1.766 3.779 -8.250 1.00 0.00 C ATOM 0 H THR A 27 2.892 3.040 -5.856 1.00 0.00 H new ATOM 0 HA THR A 27 5.155 3.507 -7.652 1.00 0.00 H new ATOM 0 HB THR A 27 3.121 2.131 -8.329 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.023 3.178 -10.423 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.102 3.371 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.396 3.506 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.797 4.865 -8.339 1.00 0.00 H new ATOM 108 N CYS A 28 4.041 5.917 -8.504 1.00 0.00 N ATOM 109 CA CYS A 28 3.924 7.367 -8.597 1.00 0.00 C ATOM 110 C CYS A 28 2.693 7.864 -7.845 1.00 0.00 C ATOM 111 O CYS A 28 1.725 7.127 -7.663 1.00 0.00 O ATOM 112 CB CYS A 28 3.846 7.799 -10.064 1.00 0.00 C ATOM 113 SG CYS A 28 5.282 7.294 -11.064 1.00 0.00 S ATOM 0 H CYS A 28 4.155 5.444 -9.401 1.00 0.00 H new ATOM 0 HA CYS A 28 4.810 7.808 -8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.943 7.381 -10.507 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.750 8.884 -10.108 1.00 0.00 H new ATOM 117 N ARG A 29 2.740 9.118 -7.408 1.00 0.00 N ATOM 118 CA ARG A 29 1.631 9.715 -6.674 1.00 0.00 C ATOM 119 C ARG A 29 0.911 10.756 -7.526 1.00 0.00 C ATOM 120 O ARG A 29 1.398 11.148 -8.587 1.00 0.00 O ATOM 121 CB ARG A 29 2.135 10.358 -5.381 1.00 0.00 C ATOM 122 CG ARG A 29 3.079 9.471 -4.586 1.00 0.00 C ATOM 123 CD ARG A 29 3.635 10.197 -3.371 1.00 0.00 C ATOM 124 NE ARG A 29 4.905 10.858 -3.661 1.00 0.00 N ATOM 125 CZ ARG A 29 5.738 11.292 -2.722 1.00 0.00 C ATOM 126 NH1 ARG A 29 5.437 11.137 -1.440 1.00 0.00 N ATOM 127 NH2 ARG A 29 6.876 11.883 -3.065 1.00 0.00 N ATOM 0 H ARG A 29 3.535 9.741 -7.550 1.00 0.00 H new ATOM 0 HA ARG A 29 0.924 8.923 -6.427 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.645 11.290 -5.624 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.280 10.616 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.552 8.573 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.900 9.147 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.911 10.937 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.774 9.486 -2.556 1.00 0.00 H new ATOM 0 HE ARG A 29 5.166 10.994 -4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.564 10.683 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.079 11.471 -0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.111 12.004 -4.050 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.515 12.216 -2.343 1.00 0.00 H new ATOM 138 N PHE A 30 -0.251 11.198 -7.055 1.00 0.00 N ATOM 139 CA PHE A 30 -1.039 12.192 -7.774 1.00 0.00 C ATOM 140 C PHE A 30 -1.757 13.122 -6.802 1.00 0.00 C ATOM 141 O PHE A 30 -2.705 12.722 -6.129 1.00 0.00 O ATOM 142 CB PHE A 30 -2.056 11.504 -8.687 1.00 0.00 C ATOM 143 CG PHE A 30 -1.427 10.659 -9.758 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.135 9.326 -9.525 1.00 0.00 C ATOM 145 CD2 PHE A 30 -1.128 11.201 -10.998 1.00 0.00 C ATOM 146 CE1 PHE A 30 -0.557 8.546 -10.511 1.00 0.00 C ATOM 147 CE2 PHE A 30 -0.550 10.427 -11.985 1.00 0.00 C ATOM 148 CZ PHE A 30 -0.263 9.098 -11.742 1.00 0.00 C ATOM 0 H PHE A 30 -0.667 10.883 -6.179 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.359 12.788 -8.384 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.712 10.879 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.683 12.263 -9.156 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.361 8.890 -8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.349 12.240 -11.195 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.336 7.507 -10.318 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.322 10.861 -12.947 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.190 8.492 -12.513 1.00 0.00 H new ATOM 157 N ALA A 31 -1.297 14.368 -6.736 1.00 0.00 N ATOM 158 CA ALA A 31 -1.895 15.357 -5.849 1.00 0.00 C ATOM 159 C ALA A 31 -1.810 14.911 -4.393 1.00 0.00 C ATOM 160 O ALA A 31 -2.583 15.363 -3.549 1.00 0.00 O ATOM 161 CB ALA A 31 -3.343 15.611 -6.242 1.00 0.00 C ATOM 0 H ALA A 31 -0.512 14.715 -7.287 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.334 16.286 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.778 16.352 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.382 15.982 -7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.908 14.681 -6.171 1.00 0.00 H new ATOM 167 N GLY A 32 -0.865 14.021 -4.106 1.00 0.00 N ATOM 168 CA GLY A 32 -0.698 13.528 -2.751 1.00 0.00 C ATOM 169 C GLY A 32 -1.391 12.199 -2.527 1.00 0.00 C ATOM 170 O GLY A 32 -1.287 11.610 -1.451 1.00 0.00 O ATOM 0 H GLY A 32 -0.212 13.633 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.365 13.421 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.093 14.263 -2.049 1.00 0.00 H new ATOM 174 N VAL A 33 -2.100 11.724 -3.546 1.00 0.00 N ATOM 175 CA VAL A 33 -2.813 10.455 -3.456 1.00 0.00 C ATOM 176 C VAL A 33 -2.040 9.341 -4.151 1.00 0.00 C ATOM 177 O VAL A 33 -1.506 9.528 -5.245 1.00 0.00 O ATOM 178 CB VAL A 33 -4.219 10.556 -4.078 1.00 0.00 C ATOM 179 CG1 VAL A 33 -4.931 9.215 -4.008 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.032 11.638 -3.384 1.00 0.00 C ATOM 0 H VAL A 33 -2.196 12.199 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.909 10.220 -2.396 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.114 10.830 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.922 9.306 -4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.355 8.468 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.027 8.908 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.022 11.695 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.130 11.397 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.527 12.598 -3.492 1.00 0.00 H new ATOM 190 N PHE A 34 -1.984 8.178 -3.510 1.00 0.00 N ATOM 191 CA PHE A 34 -1.275 7.030 -4.066 1.00 0.00 C ATOM 192 C PHE A 34 -1.851 5.724 -3.529 1.00 0.00 C ATOM 193 O PHE A 34 -2.610 5.719 -2.559 1.00 0.00 O ATOM 194 CB PHE A 34 0.217 7.118 -3.739 1.00 0.00 C ATOM 195 CG PHE A 34 0.515 7.036 -2.268 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.297 8.127 -1.443 1.00 0.00 C ATOM 197 CD2 PHE A 34 1.009 5.868 -1.713 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.569 8.055 -0.090 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.282 5.789 -0.360 1.00 0.00 C ATOM 200 CZ PHE A 34 1.064 6.884 0.452 1.00 0.00 C ATOM 0 H PHE A 34 -2.421 8.005 -2.605 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.403 7.044 -5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.742 6.313 -4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.612 8.056 -4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.090 9.044 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.183 5.009 -2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.395 8.913 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.665 4.871 0.061 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.280 6.826 1.509 1.00 0.00 H new ATOM 209 N HIS A 35 -1.482 4.616 -4.165 1.00 0.00 N ATOM 210 CA HIS A 35 -1.960 3.301 -3.751 1.00 0.00 C ATOM 211 C HIS A 35 -0.831 2.482 -3.133 1.00 0.00 C ATOM 212 O HIS A 35 0.346 2.751 -3.371 1.00 0.00 O ATOM 213 CB HIS A 35 -2.555 2.552 -4.944 1.00 0.00 C ATOM 214 CG HIS A 35 -1.524 1.925 -5.830 1.00 0.00 C ATOM 215 ND1 HIS A 35 -0.279 2.334 -6.169 1.00 0.00 N flip ATOM 216 CD2 HIS A 35 -1.725 0.730 -6.489 1.00 0.00 C flip ATOM 217 CE1 HIS A 35 0.246 1.387 -7.014 1.00 0.00 C flip ATOM 218 NE2 HIS A 35 -0.647 0.430 -7.190 1.00 0.00 N flip ATOM 0 H HIS A 35 -0.854 4.603 -4.969 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.735 3.444 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.228 1.777 -4.577 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.157 3.243 -5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.624 0.133 -6.439 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.228 1.420 -7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.525 -0.400 -7.769 1.00 0.00 H new ATOM 225 N VAL A 36 -1.198 1.483 -2.337 1.00 0.00 N ATOM 226 CA VAL A 36 -0.217 0.625 -1.684 1.00 0.00 C ATOM 227 C VAL A 36 -0.382 -0.827 -2.120 1.00 0.00 C ATOM 228 O VAL A 36 -1.389 -1.466 -1.818 1.00 0.00 O ATOM 229 CB VAL A 36 -0.333 0.705 -0.151 1.00 0.00 C ATOM 230 CG1 VAL A 36 0.736 -0.151 0.511 1.00 0.00 C ATOM 231 CG2 VAL A 36 -0.234 2.150 0.316 1.00 0.00 C ATOM 0 H VAL A 36 -2.168 1.248 -2.129 1.00 0.00 H new ATOM 0 HA VAL A 36 0.767 0.983 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.309 0.318 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.638 -0.082 1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.614 -1.189 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.723 0.204 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.318 2.188 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.726 2.566 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.040 2.733 -0.131 1.00 0.00 H new ATOM 241 N GLU A 37 0.617 -1.342 -2.830 1.00 0.00 N ATOM 242 CA GLU A 37 0.582 -2.720 -3.308 1.00 0.00 C ATOM 243 C GLU A 37 1.474 -3.615 -2.452 1.00 0.00 C ATOM 244 O GLU A 37 2.441 -3.151 -1.847 1.00 0.00 O ATOM 245 CB GLU A 37 1.026 -2.788 -4.770 1.00 0.00 C ATOM 246 CG GLU A 37 0.721 -4.119 -5.438 1.00 0.00 C ATOM 247 CD GLU A 37 0.943 -4.084 -6.937 1.00 0.00 C ATOM 248 OE1 GLU A 37 2.076 -4.369 -7.376 1.00 0.00 O ATOM 249 OE2 GLU A 37 -0.018 -3.768 -7.672 1.00 0.00 O ATOM 0 H GLU A 37 1.459 -0.827 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.445 -3.078 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.535 -1.990 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.099 -2.601 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.350 -4.894 -4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.314 -4.395 -5.234 1.00 0.00 H new ATOM 254 N LYS A 38 1.141 -4.900 -2.404 1.00 0.00 N ATOM 255 CA LYS A 38 1.909 -5.862 -1.623 1.00 0.00 C ATOM 256 C LYS A 38 2.693 -6.801 -2.536 1.00 0.00 C ATOM 257 O LYS A 38 2.360 -6.964 -3.709 1.00 0.00 O ATOM 258 CB LYS A 38 0.981 -6.673 -0.717 1.00 0.00 C ATOM 259 CG LYS A 38 1.690 -7.312 0.465 1.00 0.00 C ATOM 260 CD LYS A 38 0.701 -7.901 1.457 1.00 0.00 C ATOM 261 CE LYS A 38 1.194 -9.226 2.016 1.00 0.00 C ATOM 262 NZ LYS A 38 0.675 -10.385 1.237 1.00 0.00 N ATOM 0 H LYS A 38 0.343 -5.300 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 38 2.616 -5.308 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.189 -6.022 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.502 -7.454 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.359 -8.095 0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.309 -6.567 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.541 -7.197 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.262 -8.047 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.284 -9.241 2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.883 -9.319 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.034 -11.269 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.365 -10.386 1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.993 -10.310 0.250 1.00 0.00 H new ATOM 272 N ASN A 39 3.735 -7.418 -1.988 1.00 0.00 N ATOM 273 CA ASN A 39 4.565 -8.341 -2.753 1.00 0.00 C ATOM 274 C ASN A 39 3.709 -9.395 -3.449 1.00 0.00 C ATOM 275 O ASN A 39 3.977 -9.773 -4.588 1.00 0.00 O ATOM 276 CB ASN A 39 5.585 -9.020 -1.838 1.00 0.00 C ATOM 277 CG ASN A 39 4.962 -9.522 -0.549 1.00 0.00 C ATOM 278 OD1 ASN A 39 4.692 -8.743 0.367 1.00 0.00 O ATOM 279 ND2 ASN A 39 4.731 -10.827 -0.471 1.00 0.00 N ATOM 0 H ASN A 39 4.024 -7.295 -1.018 1.00 0.00 H new ATOM 0 HA ASN A 39 5.094 -7.768 -3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.043 -9.856 -2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.383 -8.316 -1.602 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.314 -11.222 0.372 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.971 -11.435 -1.254 1.00 0.00 H new ATOM 285 N GLY A 40 2.676 -9.862 -2.754 1.00 0.00 N ATOM 286 CA GLY A 40 1.796 -10.867 -3.321 1.00 0.00 C ATOM 287 C GLY A 40 0.751 -10.269 -4.242 1.00 0.00 C ATOM 288 O GLY A 40 1.010 -10.047 -5.425 1.00 0.00 O ATOM 0 H GLY A 40 2.433 -9.563 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.390 -11.595 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.299 -11.407 -2.515 1.00 0.00 H new ATOM 292 N ARG A 41 -0.434 -10.009 -3.701 1.00 0.00 N ATOM 293 CA ARG A 41 -1.523 -9.435 -4.482 1.00 0.00 C ATOM 294 C ARG A 41 -2.507 -8.693 -3.581 1.00 0.00 C ATOM 295 O ARG A 41 -2.379 -8.712 -2.357 1.00 0.00 O ATOM 296 CB ARG A 41 -2.254 -10.532 -5.259 1.00 0.00 C ATOM 297 CG ARG A 41 -1.514 -10.988 -6.508 1.00 0.00 C ATOM 298 CD ARG A 41 -2.417 -11.800 -7.423 1.00 0.00 C ATOM 299 NE ARG A 41 -2.930 -12.999 -6.761 1.00 0.00 N ATOM 300 CZ ARG A 41 -3.771 -13.851 -7.336 1.00 0.00 C ATOM 301 NH1 ARG A 41 -4.192 -13.640 -8.575 1.00 0.00 N ATOM 302 NH2 ARG A 41 -4.194 -14.919 -6.669 1.00 0.00 N ATOM 0 H ARG A 41 -0.665 -10.187 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.095 -8.723 -5.187 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.407 -11.390 -4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.241 -10.168 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.135 -10.119 -7.046 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.650 -11.587 -6.222 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.252 -11.181 -7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.863 -12.088 -8.317 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.626 -13.191 -5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.870 -12.821 -9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.838 -14.297 -9.013 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.873 -15.085 -5.715 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.840 -15.573 -7.111 1.00 0.00 H new ATOM 313 N TYR A 42 -3.487 -8.043 -4.198 1.00 0.00 N ATOM 314 CA TYR A 42 -4.491 -7.292 -3.452 1.00 0.00 C ATOM 315 C TYR A 42 -5.129 -8.160 -2.372 1.00 0.00 C ATOM 316 O TYR A 42 -5.864 -9.102 -2.669 1.00 0.00 O ATOM 317 CB TYR A 42 -5.571 -6.763 -4.399 1.00 0.00 C ATOM 318 CG TYR A 42 -5.019 -5.968 -5.561 1.00 0.00 C ATOM 319 CD1 TYR A 42 -3.992 -5.052 -5.375 1.00 0.00 C ATOM 320 CD2 TYR A 42 -5.526 -6.133 -6.844 1.00 0.00 C ATOM 321 CE1 TYR A 42 -3.485 -4.322 -6.434 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.025 -5.409 -7.908 1.00 0.00 C ATOM 323 CZ TYR A 42 -4.005 -4.503 -7.698 1.00 0.00 C ATOM 324 OH TYR A 42 -3.503 -3.780 -8.755 1.00 0.00 O ATOM 0 H TYR A 42 -3.608 -8.020 -5.211 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.994 -6.450 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.147 -7.604 -4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.261 -6.136 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.582 -4.907 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.325 -6.839 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.686 -3.614 -6.272 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.429 -5.551 -8.899 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.978 -4.027 -9.576 1.00 0.00 H new ATOM 333 N SER A 43 -4.843 -7.834 -1.115 1.00 0.00 N ATOM 334 CA SER A 43 -5.385 -8.584 0.012 1.00 0.00 C ATOM 335 C SER A 43 -5.279 -7.777 1.303 1.00 0.00 C ATOM 336 O SER A 43 -4.830 -8.286 2.330 1.00 0.00 O ATOM 337 CB SER A 43 -4.648 -9.914 0.168 1.00 0.00 C ATOM 338 OG SER A 43 -5.456 -10.872 0.829 1.00 0.00 O ATOM 0 H SER A 43 -4.239 -7.055 -0.852 1.00 0.00 H new ATOM 0 HA SER A 43 -6.438 -8.781 -0.188 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.361 -10.291 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.728 -9.759 0.731 1.00 0.00 H new ATOM 0 HG SER A 43 -4.962 -11.714 0.915 1.00 0.00 H new ATOM 343 N ILE A 44 -5.696 -6.518 1.241 1.00 0.00 N ATOM 344 CA ILE A 44 -5.649 -5.640 2.405 1.00 0.00 C ATOM 345 C ILE A 44 -7.020 -5.525 3.062 1.00 0.00 C ATOM 346 O ILE A 44 -8.042 -5.457 2.380 1.00 0.00 O ATOM 347 CB ILE A 44 -5.153 -4.232 2.028 1.00 0.00 C ATOM 348 CG1 ILE A 44 -4.131 -4.314 0.893 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.550 -3.540 3.242 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.941 -5.192 1.212 1.00 0.00 C ATOM 0 H ILE A 44 -6.070 -6.082 0.398 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.947 -6.087 3.110 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.004 -3.644 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.624 -4.695 -0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.779 -3.309 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.204 -2.546 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.305 -3.453 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.709 -4.125 3.614 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.259 -5.203 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.424 -4.800 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.282 -6.207 1.416 1.00 0.00 H new ATOM 361 N SER A 45 -7.034 -5.500 4.390 1.00 0.00 N ATOM 362 CA SER A 45 -8.279 -5.396 5.140 1.00 0.00 C ATOM 363 C SER A 45 -8.591 -3.940 5.476 1.00 0.00 C ATOM 364 O SER A 45 -7.689 -3.106 5.565 1.00 0.00 O ATOM 365 CB SER A 45 -8.197 -6.221 6.426 1.00 0.00 C ATOM 366 OG SER A 45 -9.489 -6.497 6.939 1.00 0.00 O ATOM 0 H SER A 45 -6.196 -5.550 4.969 1.00 0.00 H new ATOM 0 HA SER A 45 -9.083 -5.788 4.517 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.673 -7.156 6.229 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.614 -5.681 7.172 1.00 0.00 H new ATOM 0 HG SER A 45 -9.409 -7.027 7.760 1.00 0.00 H new ATOM 371 N ARG A 46 -9.872 -3.643 5.662 1.00 0.00 N ATOM 372 CA ARG A 46 -10.304 -2.288 5.987 1.00 0.00 C ATOM 373 C ARG A 46 -9.528 -1.744 7.182 1.00 0.00 C ATOM 374 O ARG A 46 -9.257 -0.546 7.266 1.00 0.00 O ATOM 375 CB ARG A 46 -11.804 -2.266 6.285 1.00 0.00 C ATOM 376 CG ARG A 46 -12.664 -2.745 5.127 1.00 0.00 C ATOM 377 CD ARG A 46 -14.053 -2.132 5.173 1.00 0.00 C ATOM 378 NE ARG A 46 -14.760 -2.471 6.405 1.00 0.00 N ATOM 379 CZ ARG A 46 -15.850 -1.838 6.827 1.00 0.00 C ATOM 380 NH1 ARG A 46 -16.356 -0.839 6.117 1.00 0.00 N ATOM 381 NH2 ARG A 46 -16.436 -2.204 7.959 1.00 0.00 N ATOM 0 H ARG A 46 -10.630 -4.322 5.593 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.103 -1.652 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.002 -2.891 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.098 -1.250 6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.182 -2.487 4.184 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.744 -3.832 5.157 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.974 -1.048 5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.631 -2.479 4.316 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.397 -3.236 6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.909 -0.555 5.245 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.193 -0.354 6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.050 -2.973 8.508 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.272 -1.717 8.281 1.00 0.00 H new ATOM 392 N THR A 47 -9.173 -2.631 8.107 1.00 0.00 N ATOM 393 CA THR A 47 -8.432 -2.240 9.299 1.00 0.00 C ATOM 394 C THR A 47 -6.934 -2.174 9.017 1.00 0.00 C ATOM 395 O THR A 47 -6.201 -1.439 9.677 1.00 0.00 O ATOM 396 CB THR A 47 -8.682 -3.216 10.463 1.00 0.00 C ATOM 397 OG1 THR A 47 -8.584 -4.567 9.998 1.00 0.00 O ATOM 398 CG2 THR A 47 -10.053 -2.983 11.079 1.00 0.00 C ATOM 0 H THR A 47 -9.388 -3.627 8.053 1.00 0.00 H new ATOM 0 HA THR A 47 -8.790 -1.251 9.583 1.00 0.00 H new ATOM 0 HB THR A 47 -7.924 -3.040 11.227 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.742 -5.182 10.744 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.207 -3.684 11.899 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.113 -1.963 11.458 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.823 -3.135 10.322 1.00 0.00 H new ATOM 406 N GLU A 48 -6.488 -2.949 8.031 1.00 0.00 N ATOM 407 CA GLU A 48 -5.078 -2.978 7.664 1.00 0.00 C ATOM 408 C GLU A 48 -4.695 -1.729 6.876 1.00 0.00 C ATOM 409 O GLU A 48 -3.545 -1.288 6.910 1.00 0.00 O ATOM 410 CB GLU A 48 -4.769 -4.230 6.840 1.00 0.00 C ATOM 411 CG GLU A 48 -3.289 -4.418 6.549 1.00 0.00 C ATOM 412 CD GLU A 48 -2.962 -5.820 6.073 1.00 0.00 C ATOM 413 OE1 GLU A 48 -3.339 -6.786 6.767 1.00 0.00 O ATOM 414 OE2 GLU A 48 -2.326 -5.950 5.007 1.00 0.00 O ATOM 0 H GLU A 48 -7.082 -3.563 7.474 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.490 -3.001 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.140 -5.106 7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.312 -4.177 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.977 -3.699 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.715 -4.201 7.450 1.00 0.00 H new ATOM 419 N ALA A 49 -5.666 -1.165 6.165 1.00 0.00 N ATOM 420 CA ALA A 49 -5.431 0.034 5.370 1.00 0.00 C ATOM 421 C ALA A 49 -4.765 1.125 6.202 1.00 0.00 C ATOM 422 O ALA A 49 -3.690 1.614 5.854 1.00 0.00 O ATOM 423 CB ALA A 49 -6.739 0.541 4.782 1.00 0.00 C ATOM 0 H ALA A 49 -6.622 -1.519 6.123 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.755 -0.227 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.549 1.437 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.174 -0.229 4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.432 0.779 5.589 1.00 0.00 H new ATOM 429 N ALA A 50 -5.410 1.501 7.301 1.00 0.00 N ATOM 430 CA ALA A 50 -4.880 2.532 8.184 1.00 0.00 C ATOM 431 C ALA A 50 -3.435 2.233 8.571 1.00 0.00 C ATOM 432 O ALA A 50 -2.575 3.114 8.527 1.00 0.00 O ATOM 433 CB ALA A 50 -5.746 2.662 9.427 1.00 0.00 C ATOM 0 H ALA A 50 -6.301 1.106 7.601 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.896 3.479 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.337 3.436 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.761 2.932 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.762 1.712 9.961 1.00 0.00 H new ATOM 439 N ASP A 51 -3.176 0.988 8.953 1.00 0.00 N ATOM 440 CA ASP A 51 -1.836 0.572 9.350 1.00 0.00 C ATOM 441 C ASP A 51 -0.855 0.727 8.192 1.00 0.00 C ATOM 442 O ASP A 51 0.273 1.185 8.377 1.00 0.00 O ATOM 443 CB ASP A 51 -1.851 -0.879 9.832 1.00 0.00 C ATOM 444 CG ASP A 51 -0.574 -1.261 10.556 1.00 0.00 C ATOM 445 OD1 ASP A 51 0.474 -1.382 9.887 1.00 0.00 O ATOM 446 OD2 ASP A 51 -0.622 -1.439 11.791 1.00 0.00 O ATOM 0 H ASP A 51 -3.877 0.248 8.996 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.510 1.214 10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.701 -1.029 10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.993 -1.541 8.978 1.00 0.00 H new ATOM 450 N LEU A 52 -1.291 0.339 6.997 1.00 0.00 N ATOM 451 CA LEU A 52 -0.452 0.433 5.809 1.00 0.00 C ATOM 452 C LEU A 52 0.001 1.870 5.573 1.00 0.00 C ATOM 453 O LEU A 52 1.196 2.147 5.463 1.00 0.00 O ATOM 454 CB LEU A 52 -1.209 -0.082 4.584 1.00 0.00 C ATOM 455 CG LEU A 52 -0.470 -1.106 3.721 1.00 0.00 C ATOM 456 CD1 LEU A 52 -0.083 -2.321 4.548 1.00 0.00 C ATOM 457 CD2 LEU A 52 -1.329 -1.518 2.533 1.00 0.00 C ATOM 0 H LEU A 52 -2.221 -0.044 6.827 1.00 0.00 H new ATOM 0 HA LEU A 52 0.432 -0.185 5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.145 -0.528 4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.470 0.771 3.958 1.00 0.00 H new ATOM 0 HG LEU A 52 0.443 -0.645 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.442 -3.038 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.568 -2.012 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.981 -2.785 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.789 -2.247 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.258 -1.961 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.556 -0.641 1.927 1.00 0.00 H new ATOM 468 N CYS A 53 -0.961 2.784 5.499 1.00 0.00 N ATOM 469 CA CYS A 53 -0.663 4.193 5.280 1.00 0.00 C ATOM 470 C CYS A 53 0.263 4.731 6.367 1.00 0.00 C ATOM 471 O CYS A 53 1.297 5.332 6.078 1.00 0.00 O ATOM 472 CB CYS A 53 -1.956 5.011 5.246 1.00 0.00 C ATOM 473 SG CYS A 53 -3.194 4.397 4.059 1.00 0.00 S ATOM 0 H CYS A 53 -1.955 2.573 5.588 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.157 4.285 4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.396 5.016 6.243 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.713 6.044 4.999 1.00 0.00 H new ATOM 477 N LYS A 54 -0.116 4.508 7.621 1.00 0.00 N ATOM 478 CA LYS A 54 0.679 4.965 8.754 1.00 0.00 C ATOM 479 C LYS A 54 2.091 4.392 8.696 1.00 0.00 C ATOM 480 O LYS A 54 3.049 5.031 9.130 1.00 0.00 O ATOM 481 CB LYS A 54 0.009 4.565 10.070 1.00 0.00 C ATOM 482 CG LYS A 54 0.756 5.042 11.303 1.00 0.00 C ATOM 483 CD LYS A 54 -0.052 4.809 12.570 1.00 0.00 C ATOM 484 CE LYS A 54 -1.311 5.662 12.592 1.00 0.00 C ATOM 485 NZ LYS A 54 -1.989 5.615 13.917 1.00 0.00 N ATOM 0 H LYS A 54 -0.970 4.013 7.878 1.00 0.00 H new ATOM 0 HA LYS A 54 0.745 6.052 8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.003 4.969 10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.080 3.479 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.709 4.519 11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.982 6.104 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.323 3.756 12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.561 5.040 13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.055 6.694 12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.998 5.316 11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.842 6.209 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.256 4.634 14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.343 5.969 14.651 1.00 0.00 H new ATOM 495 N ALA A 55 2.213 3.184 8.154 1.00 0.00 N ATOM 496 CA ALA A 55 3.508 2.527 8.035 1.00 0.00 C ATOM 497 C ALA A 55 4.381 3.218 6.994 1.00 0.00 C ATOM 498 O ALA A 55 5.575 2.939 6.886 1.00 0.00 O ATOM 499 CB ALA A 55 3.324 1.058 7.682 1.00 0.00 C ATOM 0 H ALA A 55 1.430 2.641 7.790 1.00 0.00 H new ATOM 0 HA ALA A 55 4.013 2.597 8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.300 0.579 7.596 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.746 0.566 8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.795 0.975 6.733 1.00 0.00 H new ATOM 505 N PHE A 56 3.777 4.118 6.226 1.00 0.00 N ATOM 506 CA PHE A 56 4.499 4.849 5.191 1.00 0.00 C ATOM 507 C PHE A 56 4.344 6.355 5.379 1.00 0.00 C ATOM 508 O PHE A 56 4.312 7.112 4.409 1.00 0.00 O ATOM 509 CB PHE A 56 3.994 4.442 3.804 1.00 0.00 C ATOM 510 CG PHE A 56 4.879 4.909 2.684 1.00 0.00 C ATOM 511 CD1 PHE A 56 6.256 4.793 2.778 1.00 0.00 C ATOM 512 CD2 PHE A 56 4.333 5.463 1.537 1.00 0.00 C ATOM 513 CE1 PHE A 56 7.074 5.222 1.748 1.00 0.00 C ATOM 514 CE2 PHE A 56 5.145 5.892 0.504 1.00 0.00 C ATOM 515 CZ PHE A 56 6.518 5.773 0.610 1.00 0.00 C ATOM 0 H PHE A 56 2.789 4.359 6.301 1.00 0.00 H new ATOM 0 HA PHE A 56 5.556 4.598 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.909 3.356 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.992 4.846 3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.696 4.363 3.665 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.261 5.561 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.146 5.126 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.707 6.320 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 56 7.154 6.110 -0.195 1.00 0.00 H new ATOM 524 N ASN A 57 4.250 6.782 6.633 1.00 0.00 N ATOM 525 CA ASN A 57 4.097 8.197 6.950 1.00 0.00 C ATOM 526 C ASN A 57 2.953 8.814 6.150 1.00 0.00 C ATOM 527 O ASN A 57 3.079 9.915 5.615 1.00 0.00 O ATOM 528 CB ASN A 57 5.399 8.949 6.661 1.00 0.00 C ATOM 529 CG ASN A 57 5.381 10.365 7.203 1.00 0.00 C ATOM 530 OD1 ASN A 57 5.308 10.578 8.413 1.00 0.00 O ATOM 531 ND2 ASN A 57 5.447 11.343 6.305 1.00 0.00 N ATOM 0 H ASN A 57 4.277 6.168 7.447 1.00 0.00 H new ATOM 0 HA ASN A 57 3.862 8.283 8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.235 8.405 7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.568 8.977 5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.438 12.316 6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.506 11.120 5.311 1.00 0.00 H new ATOM 537 N SER A 58 1.837 8.095 6.074 1.00 0.00 N ATOM 538 CA SER A 58 0.672 8.570 5.338 1.00 0.00 C ATOM 539 C SER A 58 -0.618 8.141 6.029 1.00 0.00 C ATOM 540 O SER A 58 -0.602 7.324 6.952 1.00 0.00 O ATOM 541 CB SER A 58 0.697 8.037 3.905 1.00 0.00 C ATOM 542 OG SER A 58 1.116 6.684 3.869 1.00 0.00 O ATOM 0 H SER A 58 1.716 7.182 6.513 1.00 0.00 H new ATOM 0 HA SER A 58 0.707 9.659 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.296 8.125 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.369 8.645 3.300 1.00 0.00 H new ATOM 0 HG SER A 58 1.071 6.303 4.771 1.00 0.00 H new ATOM 547 N THR A 59 -1.738 8.698 5.578 1.00 0.00 N ATOM 548 CA THR A 59 -3.039 8.375 6.152 1.00 0.00 C ATOM 549 C THR A 59 -4.001 7.868 5.083 1.00 0.00 C ATOM 550 O THR A 59 -3.610 7.641 3.937 1.00 0.00 O ATOM 551 CB THR A 59 -3.663 9.596 6.852 1.00 0.00 C ATOM 552 OG1 THR A 59 -2.745 10.694 6.829 1.00 0.00 O ATOM 553 CG2 THR A 59 -4.033 9.266 8.289 1.00 0.00 C ATOM 0 H THR A 59 -1.770 9.376 4.816 1.00 0.00 H new ATOM 0 HA THR A 59 -2.873 7.589 6.889 1.00 0.00 H new ATOM 0 HB THR A 59 -4.571 9.871 6.315 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.149 11.468 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.472 10.144 8.763 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.754 8.449 8.301 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.138 8.968 8.836 1.00 0.00 H new ATOM 561 N LEU A 60 -5.261 7.694 5.465 1.00 0.00 N ATOM 562 CA LEU A 60 -6.282 7.215 4.537 1.00 0.00 C ATOM 563 C LEU A 60 -6.911 8.375 3.772 1.00 0.00 C ATOM 564 O LEU A 60 -7.127 9.461 4.310 1.00 0.00 O ATOM 565 CB LEU A 60 -7.363 6.442 5.294 1.00 0.00 C ATOM 566 CG LEU A 60 -6.919 5.133 5.947 1.00 0.00 C ATOM 567 CD1 LEU A 60 -7.847 4.768 7.096 1.00 0.00 C ATOM 568 CD2 LEU A 60 -6.876 4.011 4.919 1.00 0.00 C ATOM 0 H LEU A 60 -5.601 7.877 6.409 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.802 6.549 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.771 7.091 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.176 6.222 4.602 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.915 5.272 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.515 3.834 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.829 5.560 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.863 4.648 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.558 3.087 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.868 3.873 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.171 4.269 4.129 1.00 0.00 H new ATOM 579 N PRO A 61 -7.213 8.141 2.487 1.00 0.00 N ATOM 580 CA PRO A 61 -7.824 9.154 1.621 1.00 0.00 C ATOM 581 C PRO A 61 -9.268 9.453 2.009 1.00 0.00 C ATOM 582 O PRO A 61 -9.747 9.009 3.052 1.00 0.00 O ATOM 583 CB PRO A 61 -7.764 8.515 0.231 1.00 0.00 C ATOM 584 CG PRO A 61 -7.734 7.049 0.489 1.00 0.00 C ATOM 585 CD PRO A 61 -6.981 6.871 1.779 1.00 0.00 C ATOM 0 HA PRO A 61 -7.308 10.112 1.687 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.629 8.793 -0.370 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.878 8.839 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.744 6.646 0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.242 6.519 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.354 6.020 2.348 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.919 6.697 1.604 1.00 0.00 H new ATOM 590 N THR A 62 -9.960 10.208 1.160 1.00 0.00 N ATOM 591 CA THR A 62 -11.350 10.566 1.415 1.00 0.00 C ATOM 592 C THR A 62 -12.166 10.549 0.128 1.00 0.00 C ATOM 593 O THR A 62 -11.617 10.661 -0.968 1.00 0.00 O ATOM 594 CB THR A 62 -11.461 11.961 2.061 1.00 0.00 C ATOM 595 OG1 THR A 62 -12.837 12.285 2.291 1.00 0.00 O ATOM 596 CG2 THR A 62 -10.825 13.020 1.174 1.00 0.00 C ATOM 0 H THR A 62 -9.580 10.583 0.291 1.00 0.00 H new ATOM 0 HA THR A 62 -11.747 9.821 2.105 1.00 0.00 H new ATOM 0 HB THR A 62 -10.929 11.941 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.900 13.172 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.916 13.996 1.651 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.771 12.785 1.025 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.332 13.039 0.209 1.00 0.00 H new ATOM 604 N MET A 63 -13.480 10.409 0.267 1.00 0.00 N ATOM 605 CA MET A 63 -14.373 10.380 -0.885 1.00 0.00 C ATOM 606 C MET A 63 -14.093 11.555 -1.820 1.00 0.00 C ATOM 607 O MET A 63 -14.087 11.400 -3.041 1.00 0.00 O ATOM 608 CB MET A 63 -15.833 10.412 -0.429 1.00 0.00 C ATOM 609 CG MET A 63 -16.411 9.036 -0.146 1.00 0.00 C ATOM 610 SD MET A 63 -18.180 8.943 -0.481 1.00 0.00 S ATOM 611 CE MET A 63 -18.793 10.255 0.573 1.00 0.00 C ATOM 0 H MET A 63 -13.950 10.314 1.167 1.00 0.00 H new ATOM 0 HA MET A 63 -14.192 9.453 -1.430 1.00 0.00 H new ATOM 0 HB2 MET A 63 -15.911 11.022 0.471 1.00 0.00 H new ATOM 0 HB3 MET A 63 -16.434 10.899 -1.197 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.891 8.296 -0.754 1.00 0.00 H new ATOM 0 HG3 MET A 63 -16.229 8.777 0.897 1.00 0.00 H new ATOM 0 HE1 MET A 63 -19.877 10.177 0.658 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.344 10.167 1.562 1.00 0.00 H new ATOM 0 HE3 MET A 63 -18.531 11.221 0.141 1.00 0.00 H new ATOM 619 N ALA A 64 -13.865 12.727 -1.237 1.00 0.00 N ATOM 620 CA ALA A 64 -13.584 13.925 -2.017 1.00 0.00 C ATOM 621 C ALA A 64 -12.298 13.768 -2.821 1.00 0.00 C ATOM 622 O ALA A 64 -12.222 14.189 -3.975 1.00 0.00 O ATOM 623 CB ALA A 64 -13.493 15.139 -1.103 1.00 0.00 C ATOM 0 H ALA A 64 -13.869 12.872 -0.227 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.404 14.073 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.283 16.028 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.439 15.270 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.692 14.990 -0.378 1.00 0.00 H new ATOM 629 N GLN A 65 -11.290 13.160 -2.204 1.00 0.00 N ATOM 630 CA GLN A 65 -10.008 12.949 -2.863 1.00 0.00 C ATOM 631 C GLN A 65 -10.152 11.994 -4.043 1.00 0.00 C ATOM 632 O GLN A 65 -9.778 12.320 -5.169 1.00 0.00 O ATOM 633 CB GLN A 65 -8.982 12.400 -1.869 1.00 0.00 C ATOM 634 CG GLN A 65 -8.265 13.480 -1.075 1.00 0.00 C ATOM 635 CD GLN A 65 -7.639 12.947 0.199 1.00 0.00 C ATOM 636 OE1 GLN A 65 -7.949 13.411 1.297 1.00 0.00 O ATOM 637 NE2 GLN A 65 -6.752 11.970 0.060 1.00 0.00 N ATOM 0 H GLN A 65 -11.337 12.805 -1.249 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.660 13.911 -3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.485 11.725 -1.176 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.244 11.809 -2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.490 13.929 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.971 14.272 -0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.525 11.616 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.297 11.573 0.882 1.00 0.00 H new ATOM 644 N MET A 66 -10.697 10.811 -3.776 1.00 0.00 N ATOM 645 CA MET A 66 -10.892 9.807 -4.817 1.00 0.00 C ATOM 646 C MET A 66 -11.647 10.396 -6.004 1.00 0.00 C ATOM 647 O MET A 66 -11.477 9.953 -7.140 1.00 0.00 O ATOM 648 CB MET A 66 -11.654 8.605 -4.259 1.00 0.00 C ATOM 649 CG MET A 66 -11.055 8.047 -2.978 1.00 0.00 C ATOM 650 SD MET A 66 -9.312 7.615 -3.156 1.00 0.00 S ATOM 651 CE MET A 66 -9.364 6.598 -4.628 1.00 0.00 C ATOM 0 H MET A 66 -11.011 10.524 -2.849 1.00 0.00 H new ATOM 0 HA MET A 66 -9.911 9.478 -5.159 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.687 8.896 -4.071 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.677 7.818 -5.013 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.163 8.782 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.615 7.163 -2.675 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.371 6.195 -4.827 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.065 5.777 -4.478 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.688 7.202 -5.476 1.00 0.00 H new ATOM 659 N GLU A 67 -12.481 11.395 -5.734 1.00 0.00 N ATOM 660 CA GLU A 67 -13.262 12.042 -6.782 1.00 0.00 C ATOM 661 C GLU A 67 -12.454 13.144 -7.462 1.00 0.00 C ATOM 662 O GLU A 67 -12.611 13.399 -8.656 1.00 0.00 O ATOM 663 CB GLU A 67 -14.552 12.625 -6.201 1.00 0.00 C ATOM 664 CG GLU A 67 -15.537 11.570 -5.726 1.00 0.00 C ATOM 665 CD GLU A 67 -16.882 11.673 -6.419 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.302 12.807 -6.733 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.514 10.620 -6.648 1.00 0.00 O ATOM 0 H GLU A 67 -12.633 11.774 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.516 11.289 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.301 13.278 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.033 13.245 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.116 10.580 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.679 11.669 -4.650 1.00 0.00 H new ATOM 672 N LYS A 68 -11.590 13.797 -6.692 1.00 0.00 N ATOM 673 CA LYS A 68 -10.756 14.871 -7.217 1.00 0.00 C ATOM 674 C LYS A 68 -9.639 14.313 -8.092 1.00 0.00 C ATOM 675 O LYS A 68 -9.467 14.732 -9.238 1.00 0.00 O ATOM 676 CB LYS A 68 -10.159 15.689 -6.068 1.00 0.00 C ATOM 677 CG LYS A 68 -9.636 17.048 -6.499 1.00 0.00 C ATOM 678 CD LYS A 68 -8.792 17.691 -5.410 1.00 0.00 C ATOM 679 CE LYS A 68 -9.658 18.390 -4.373 1.00 0.00 C ATOM 680 NZ LYS A 68 -10.125 19.722 -4.848 1.00 0.00 N ATOM 0 H LYS A 68 -11.449 13.601 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.383 15.519 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.919 15.828 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.346 15.123 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.041 16.939 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.474 17.700 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.183 16.929 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.106 18.410 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.520 17.765 -4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.092 18.512 -3.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.712 20.166 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.303 20.327 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.687 19.604 -5.715 1.00 0.00 H new ATOM 690 N ALA A 69 -8.881 13.368 -7.547 1.00 0.00 N ATOM 691 CA ALA A 69 -7.784 12.751 -8.281 1.00 0.00 C ATOM 692 C ALA A 69 -8.275 12.123 -9.580 1.00 0.00 C ATOM 693 O ALA A 69 -7.500 11.925 -10.518 1.00 0.00 O ATOM 694 CB ALA A 69 -7.092 11.706 -7.417 1.00 0.00 C ATOM 0 H ALA A 69 -9.007 13.013 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.067 13.532 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.275 11.253 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.697 12.180 -6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.809 10.935 -7.134 1.00 0.00 H new ATOM 700 N LEU A 70 -9.566 11.812 -9.631 1.00 0.00 N ATOM 701 CA LEU A 70 -10.160 11.206 -10.816 1.00 0.00 C ATOM 702 C LEU A 70 -9.942 12.084 -12.045 1.00 0.00 C ATOM 703 O LEU A 70 -9.845 11.587 -13.166 1.00 0.00 O ATOM 704 CB LEU A 70 -11.657 10.977 -10.600 1.00 0.00 C ATOM 705 CG LEU A 70 -12.428 10.405 -11.790 1.00 0.00 C ATOM 706 CD1 LEU A 70 -12.636 8.909 -11.622 1.00 0.00 C ATOM 707 CD2 LEU A 70 -13.764 11.116 -11.950 1.00 0.00 C ATOM 0 H LEU A 70 -10.221 11.970 -8.865 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.672 10.246 -10.986 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.782 10.302 -9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.113 11.927 -10.320 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.840 10.570 -12.693 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.186 8.520 -12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.668 8.412 -11.556 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.203 8.721 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.300 10.697 -12.802 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.358 10.982 -11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.593 12.179 -12.117 1.00 0.00 H new ATOM 718 N SER A 71 -9.864 13.393 -11.825 1.00 0.00 N ATOM 719 CA SER A 71 -9.658 14.339 -12.913 1.00 0.00 C ATOM 720 C SER A 71 -8.176 14.458 -13.259 1.00 0.00 C ATOM 721 O SER A 71 -7.812 15.010 -14.297 1.00 0.00 O ATOM 722 CB SER A 71 -10.217 15.713 -12.535 1.00 0.00 C ATOM 723 OG SER A 71 -10.315 16.554 -13.671 1.00 0.00 O ATOM 0 H SER A 71 -9.941 13.821 -10.902 1.00 0.00 H new ATOM 0 HA SER A 71 -10.188 13.967 -13.789 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.200 15.596 -12.079 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.573 16.178 -11.789 1.00 0.00 H new ATOM 0 HG SER A 71 -9.654 16.279 -14.340 1.00 0.00 H new ATOM 728 N ILE A 72 -7.328 13.935 -12.380 1.00 0.00 N ATOM 729 CA ILE A 72 -5.886 13.980 -12.591 1.00 0.00 C ATOM 730 C ILE A 72 -5.422 12.817 -13.462 1.00 0.00 C ATOM 731 O ILE A 72 -5.052 13.004 -14.621 1.00 0.00 O ATOM 732 CB ILE A 72 -5.120 13.946 -11.257 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.543 15.119 -10.370 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.619 13.978 -11.506 1.00 0.00 C ATOM 735 CD1 ILE A 72 -4.871 15.126 -9.015 1.00 0.00 C ATOM 0 H ILE A 72 -7.614 13.475 -11.515 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.670 14.920 -13.099 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.363 13.018 -10.740 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.316 16.053 -10.884 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.624 15.087 -10.230 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.091 13.953 -10.553 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.331 13.113 -12.103 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.358 14.891 -12.041 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.218 15.985 -8.441 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.119 14.209 -8.481 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.791 15.190 -9.145 1.00 0.00 H new ATOM 746 N GLY A 73 -5.444 11.614 -12.894 1.00 0.00 N ATOM 747 CA GLY A 73 -5.025 10.438 -13.632 1.00 0.00 C ATOM 748 C GLY A 73 -5.027 9.186 -12.778 1.00 0.00 C ATOM 749 O GLY A 73 -4.183 8.306 -12.951 1.00 0.00 O ATOM 0 H GLY A 73 -5.745 11.434 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.688 10.293 -14.485 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.024 10.601 -14.030 1.00 0.00 H new ATOM 753 N PHE A 74 -5.978 9.105 -11.854 1.00 0.00 N ATOM 754 CA PHE A 74 -6.086 7.952 -10.967 1.00 0.00 C ATOM 755 C PHE A 74 -7.274 7.077 -11.354 1.00 0.00 C ATOM 756 O PHE A 74 -8.413 7.363 -10.986 1.00 0.00 O ATOM 757 CB PHE A 74 -6.227 8.412 -9.514 1.00 0.00 C ATOM 758 CG PHE A 74 -5.605 7.467 -8.525 1.00 0.00 C ATOM 759 CD1 PHE A 74 -4.272 7.108 -8.635 1.00 0.00 C ATOM 760 CD2 PHE A 74 -6.355 6.939 -7.486 1.00 0.00 C ATOM 761 CE1 PHE A 74 -3.696 6.241 -7.724 1.00 0.00 C ATOM 762 CE2 PHE A 74 -5.784 6.073 -6.573 1.00 0.00 C ATOM 763 CZ PHE A 74 -4.454 5.722 -6.693 1.00 0.00 C ATOM 0 H PHE A 74 -6.685 9.824 -11.700 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.176 7.361 -11.067 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.767 9.394 -9.406 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.285 8.528 -9.279 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.676 7.509 -9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.397 7.207 -7.389 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.655 5.970 -7.819 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.378 5.671 -5.766 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.007 5.043 -5.982 1.00 0.00 H new ATOM 772 N GLU A 75 -6.999 6.011 -12.100 1.00 0.00 N ATOM 773 CA GLU A 75 -8.046 5.096 -12.538 1.00 0.00 C ATOM 774 C GLU A 75 -7.543 3.655 -12.535 1.00 0.00 C ATOM 775 O GLU A 75 -6.416 3.377 -12.944 1.00 0.00 O ATOM 776 CB GLU A 75 -8.532 5.475 -13.938 1.00 0.00 C ATOM 777 CG GLU A 75 -7.424 5.527 -14.976 1.00 0.00 C ATOM 778 CD GLU A 75 -7.177 4.183 -15.632 1.00 0.00 C ATOM 779 OE1 GLU A 75 -7.883 3.212 -15.285 1.00 0.00 O ATOM 780 OE2 GLU A 75 -6.277 4.100 -16.494 1.00 0.00 O ATOM 0 H GLU A 75 -6.061 5.760 -12.413 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.879 5.174 -11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.285 4.755 -14.259 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.021 6.448 -13.892 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.682 6.259 -15.741 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.504 5.871 -14.503 1.00 0.00 H new ATOM 785 N THR A 76 -8.390 2.740 -12.073 1.00 0.00 N ATOM 786 CA THR A 76 -8.034 1.328 -12.015 1.00 0.00 C ATOM 787 C THR A 76 -9.278 0.447 -12.022 1.00 0.00 C ATOM 788 O THR A 76 -10.383 0.913 -11.748 1.00 0.00 O ATOM 789 CB THR A 76 -7.200 1.011 -10.760 1.00 0.00 C ATOM 790 OG1 THR A 76 -6.931 -0.395 -10.693 1.00 0.00 O ATOM 791 CG2 THR A 76 -7.927 1.453 -9.500 1.00 0.00 C ATOM 0 H THR A 76 -9.328 2.952 -11.733 1.00 0.00 H new ATOM 0 HA THR A 76 -7.437 1.115 -12.902 1.00 0.00 H new ATOM 0 HB THR A 76 -6.260 1.558 -10.828 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.399 -0.588 -9.893 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.318 1.218 -8.627 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.104 2.528 -9.540 1.00 0.00 H new ATOM 0 HG23 THR A 76 -8.881 0.930 -9.428 1.00 0.00 H new ATOM 799 N CYS A 77 -9.090 -0.832 -12.334 1.00 0.00 N ATOM 800 CA CYS A 77 -10.196 -1.779 -12.376 1.00 0.00 C ATOM 801 C CYS A 77 -10.273 -2.583 -11.081 1.00 0.00 C ATOM 802 O CYS A 77 -10.675 -3.746 -11.083 1.00 0.00 O ATOM 803 CB CYS A 77 -10.039 -2.727 -13.568 1.00 0.00 C ATOM 804 SG CYS A 77 -11.596 -3.497 -14.115 1.00 0.00 S ATOM 0 H CYS A 77 -8.181 -1.235 -12.561 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.121 -1.214 -12.489 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.606 -2.176 -14.403 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.331 -3.512 -13.303 1.00 0.00 H new ATOM 808 N ARG A 78 -9.884 -1.954 -9.977 1.00 0.00 N ATOM 809 CA ARG A 78 -9.908 -2.610 -8.674 1.00 0.00 C ATOM 810 C ARG A 78 -10.382 -1.646 -7.590 1.00 0.00 C ATOM 811 O ARG A 78 -9.833 -0.557 -7.429 1.00 0.00 O ATOM 812 CB ARG A 78 -8.519 -3.145 -8.324 1.00 0.00 C ATOM 813 CG ARG A 78 -7.922 -4.041 -9.399 1.00 0.00 C ATOM 814 CD ARG A 78 -8.541 -5.430 -9.371 1.00 0.00 C ATOM 815 NE ARG A 78 -7.626 -6.447 -9.882 1.00 0.00 N ATOM 816 CZ ARG A 78 -7.860 -7.752 -9.804 1.00 0.00 C ATOM 817 NH1 ARG A 78 -8.975 -8.196 -9.240 1.00 0.00 N ATOM 818 NH2 ARG A 78 -6.978 -8.616 -10.291 1.00 0.00 N ATOM 0 H ARG A 78 -9.548 -0.991 -9.958 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.608 -3.444 -8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.848 -2.304 -8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.579 -3.703 -7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.080 -3.591 -10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.845 -4.118 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.826 -5.679 -8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.454 -5.432 -9.966 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.760 -6.138 -10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.655 -7.535 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.153 -9.199 -9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.119 -8.278 -10.726 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.159 -9.618 -10.231 1.00 0.00 H new ATOM 829 N TYR A 79 -11.406 -2.056 -6.849 1.00 0.00 N ATOM 830 CA TYR A 79 -11.956 -1.230 -5.781 1.00 0.00 C ATOM 831 C TYR A 79 -10.861 -0.791 -4.814 1.00 0.00 C ATOM 832 O TYR A 79 -9.759 -1.338 -4.814 1.00 0.00 O ATOM 833 CB TYR A 79 -13.043 -1.994 -5.025 1.00 0.00 C ATOM 834 CG TYR A 79 -14.075 -2.631 -5.928 1.00 0.00 C ATOM 835 CD1 TYR A 79 -14.726 -1.888 -6.906 1.00 0.00 C ATOM 836 CD2 TYR A 79 -14.401 -3.977 -5.804 1.00 0.00 C ATOM 837 CE1 TYR A 79 -15.670 -2.466 -7.733 1.00 0.00 C ATOM 838 CE2 TYR A 79 -15.343 -4.563 -6.628 1.00 0.00 C ATOM 839 CZ TYR A 79 -15.974 -3.803 -7.590 1.00 0.00 C ATOM 840 OH TYR A 79 -16.913 -4.383 -8.412 1.00 0.00 O ATOM 0 H TYR A 79 -11.872 -2.956 -6.969 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.395 -0.341 -6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.575 -2.769 -4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.545 -1.312 -4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.490 -0.840 -7.021 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.910 -4.575 -5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.167 -1.874 -8.487 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.584 -5.610 -6.519 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.009 -5.331 -8.181 1.00 0.00 H new ATOM 849 N GLY A 80 -11.174 0.205 -3.989 1.00 0.00 N ATOM 850 CA GLY A 80 -10.209 0.703 -3.027 1.00 0.00 C ATOM 851 C GLY A 80 -10.861 1.185 -1.747 1.00 0.00 C ATOM 852 O GLY A 80 -12.062 1.459 -1.718 1.00 0.00 O ATOM 0 H GLY A 80 -12.079 0.675 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.495 -0.086 -2.792 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.645 1.521 -3.474 1.00 0.00 H new ATOM 856 N PHE A 81 -10.070 1.288 -0.684 1.00 0.00 N ATOM 857 CA PHE A 81 -10.580 1.739 0.606 1.00 0.00 C ATOM 858 C PHE A 81 -10.197 3.193 0.865 1.00 0.00 C ATOM 859 O PHE A 81 -9.350 3.756 0.169 1.00 0.00 O ATOM 860 CB PHE A 81 -10.040 0.850 1.729 1.00 0.00 C ATOM 861 CG PHE A 81 -10.125 -0.618 1.425 1.00 0.00 C ATOM 862 CD1 PHE A 81 -11.322 -1.187 1.023 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.008 -1.430 1.542 1.00 0.00 C ATOM 864 CE1 PHE A 81 -11.404 -2.539 0.744 1.00 0.00 C ATOM 865 CE2 PHE A 81 -9.084 -2.781 1.264 1.00 0.00 C ATOM 866 CZ PHE A 81 -10.284 -3.336 0.864 1.00 0.00 C ATOM 0 H PHE A 81 -9.075 1.066 -0.690 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.667 1.667 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.000 1.113 1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.596 1.056 2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.202 -0.568 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.067 -1.002 1.854 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -12.344 -2.971 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.206 -3.403 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.346 -4.392 0.646 1.00 0.00 H new ATOM 875 N ILE A 82 -10.824 3.794 1.869 1.00 0.00 N ATOM 876 CA ILE A 82 -10.550 5.183 2.219 1.00 0.00 C ATOM 877 C ILE A 82 -10.675 5.405 3.723 1.00 0.00 C ATOM 878 O ILE A 82 -10.758 4.451 4.495 1.00 0.00 O ATOM 879 CB ILE A 82 -11.503 6.147 1.489 1.00 0.00 C ATOM 880 CG1 ILE A 82 -12.920 6.023 2.051 1.00 0.00 C ATOM 881 CG2 ILE A 82 -11.494 5.869 -0.008 1.00 0.00 C ATOM 882 CD1 ILE A 82 -13.923 6.929 1.372 1.00 0.00 C ATOM 0 H ILE A 82 -11.526 3.342 2.455 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.527 5.391 1.906 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.157 7.168 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.252 4.989 1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.900 6.251 3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.173 6.559 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.485 6.005 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.818 4.844 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.905 6.787 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.615 7.968 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.972 6.686 0.310 1.00 0.00 H new ATOM 893 N GLU A 83 -10.687 6.671 4.129 1.00 0.00 N ATOM 894 CA GLU A 83 -10.803 7.018 5.540 1.00 0.00 C ATOM 895 C GLU A 83 -11.906 6.205 6.212 1.00 0.00 C ATOM 896 O GLU A 83 -11.664 5.496 7.189 1.00 0.00 O ATOM 897 CB GLU A 83 -11.087 8.513 5.700 1.00 0.00 C ATOM 898 CG GLU A 83 -11.300 8.942 7.142 1.00 0.00 C ATOM 899 CD GLU A 83 -11.669 10.407 7.266 1.00 0.00 C ATOM 900 OE1 GLU A 83 -10.870 11.259 6.825 1.00 0.00 O ATOM 901 OE2 GLU A 83 -12.757 10.701 7.805 1.00 0.00 O ATOM 0 H GLU A 83 -10.618 7.472 3.501 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.855 6.782 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.255 9.079 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.973 8.770 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.088 8.334 7.585 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.391 8.751 7.712 1.00 0.00 H new ATOM 906 N GLY A 84 -13.120 6.314 5.682 1.00 0.00 N ATOM 907 CA GLY A 84 -14.244 5.586 6.242 1.00 0.00 C ATOM 908 C GLY A 84 -15.239 5.153 5.184 1.00 0.00 C ATOM 909 O GLY A 84 -16.417 5.507 5.249 1.00 0.00 O ATOM 0 H GLY A 84 -13.346 6.894 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.876 4.707 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.749 6.213 6.977 1.00 0.00 H new ATOM 913 N HIS A 85 -14.767 4.387 4.206 1.00 0.00 N ATOM 914 CA HIS A 85 -15.625 3.906 3.129 1.00 0.00 C ATOM 915 C HIS A 85 -14.827 3.073 2.130 1.00 0.00 C ATOM 916 O HIS A 85 -13.672 2.723 2.379 1.00 0.00 O ATOM 917 CB HIS A 85 -16.290 5.082 2.415 1.00 0.00 C ATOM 918 CG HIS A 85 -17.782 4.971 2.337 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.631 6.022 2.609 1.00 0.00 N ATOM 920 CD2 HIS A 85 -18.575 3.922 2.014 1.00 0.00 C ATOM 921 CE1 HIS A 85 -19.882 5.625 2.458 1.00 0.00 C ATOM 922 NE2 HIS A 85 -19.875 4.355 2.097 1.00 0.00 N ATOM 0 H HIS A 85 -13.795 4.086 4.137 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.397 3.274 3.567 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -16.029 6.005 2.933 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.887 5.158 1.405 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.246 2.930 1.742 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.761 6.235 2.605 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -20.702 3.788 1.910 1.00 0.00 H new ATOM 929 N VAL A 86 -15.448 2.760 0.998 1.00 0.00 N ATOM 930 CA VAL A 86 -14.796 1.970 -0.040 1.00 0.00 C ATOM 931 C VAL A 86 -15.275 2.381 -1.427 1.00 0.00 C ATOM 932 O VAL A 86 -16.419 2.120 -1.804 1.00 0.00 O ATOM 933 CB VAL A 86 -15.057 0.465 0.155 1.00 0.00 C ATOM 934 CG1 VAL A 86 -14.318 -0.346 -0.898 1.00 0.00 C ATOM 935 CG2 VAL A 86 -14.650 0.031 1.555 1.00 0.00 C ATOM 0 H VAL A 86 -16.403 3.042 0.776 1.00 0.00 H new ATOM 0 HA VAL A 86 -13.726 2.161 0.042 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.125 0.281 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -14.514 -1.407 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -14.662 -0.053 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -13.247 -0.160 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.841 -1.035 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.588 0.228 1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.228 0.589 2.291 1.00 0.00 H new ATOM 945 N VAL A 87 -14.395 3.028 -2.184 1.00 0.00 N ATOM 946 CA VAL A 87 -14.727 3.475 -3.531 1.00 0.00 C ATOM 947 C VAL A 87 -13.535 3.321 -4.470 1.00 0.00 C ATOM 948 O VAL A 87 -12.511 2.748 -4.100 1.00 0.00 O ATOM 949 CB VAL A 87 -15.186 4.946 -3.537 1.00 0.00 C ATOM 950 CG1 VAL A 87 -16.341 5.149 -2.569 1.00 0.00 C ATOM 951 CG2 VAL A 87 -14.024 5.867 -3.197 1.00 0.00 C ATOM 0 H VAL A 87 -13.446 3.254 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 87 -15.545 2.846 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.536 5.196 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -16.651 6.194 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -17.178 4.516 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -16.022 4.883 -1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -14.366 6.902 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.641 5.619 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.231 5.740 -3.935 1.00 0.00 H new ATOM 961 N ILE A 88 -13.678 3.838 -5.687 1.00 0.00 N ATOM 962 CA ILE A 88 -12.613 3.759 -6.678 1.00 0.00 C ATOM 963 C ILE A 88 -12.953 4.581 -7.916 1.00 0.00 C ATOM 964 O ILE A 88 -14.009 4.420 -8.528 1.00 0.00 O ATOM 965 CB ILE A 88 -12.342 2.303 -7.100 1.00 0.00 C ATOM 966 CG1 ILE A 88 -11.389 2.264 -8.297 1.00 0.00 C ATOM 967 CG2 ILE A 88 -13.648 1.597 -7.434 1.00 0.00 C ATOM 968 CD1 ILE A 88 -12.096 2.142 -9.628 1.00 0.00 C ATOM 0 H ILE A 88 -14.520 4.315 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 88 -11.716 4.165 -6.210 1.00 0.00 H new ATOM 0 HB ILE A 88 -11.871 1.781 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -10.783 3.170 -8.298 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.705 1.423 -8.180 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.440 0.569 -7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.297 1.598 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.144 2.118 -8.253 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.359 2.120 -10.431 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -12.680 1.222 -9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.759 2.996 -9.767 1.00 0.00 H new ATOM 979 N PRO A 89 -12.037 5.483 -8.299 1.00 0.00 N ATOM 980 CA PRO A 89 -12.216 6.346 -9.470 1.00 0.00 C ATOM 981 C PRO A 89 -12.141 5.570 -10.780 1.00 0.00 C ATOM 982 O PRO A 89 -11.288 4.698 -10.949 1.00 0.00 O ATOM 983 CB PRO A 89 -11.050 7.332 -9.365 1.00 0.00 C ATOM 984 CG PRO A 89 -10.009 6.606 -8.584 1.00 0.00 C ATOM 985 CD PRO A 89 -10.754 5.727 -7.618 1.00 0.00 C ATOM 0 HA PRO A 89 -13.196 6.823 -9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.680 7.614 -10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.353 8.251 -8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -9.372 6.013 -9.240 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.360 7.304 -8.056 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -10.218 4.798 -7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -10.897 6.218 -6.656 1.00 0.00 H new ATOM 990 N ARG A 90 -13.039 5.892 -11.705 1.00 0.00 N ATOM 991 CA ARG A 90 -13.075 5.223 -13.001 1.00 0.00 C ATOM 992 C ARG A 90 -12.984 6.236 -14.137 1.00 0.00 C ATOM 993 O ARG A 90 -13.986 6.828 -14.536 1.00 0.00 O ATOM 994 CB ARG A 90 -14.356 4.400 -13.139 1.00 0.00 C ATOM 995 CG ARG A 90 -14.167 3.099 -13.903 1.00 0.00 C ATOM 996 CD ARG A 90 -13.648 1.994 -12.998 1.00 0.00 C ATOM 997 NE ARG A 90 -14.716 1.096 -12.563 1.00 0.00 N ATOM 998 CZ ARG A 90 -14.501 -0.027 -11.888 1.00 0.00 C ATOM 999 NH1 ARG A 90 -13.265 -0.390 -11.572 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -15.524 -0.791 -11.527 1.00 0.00 N ATOM 0 H ARG A 90 -13.751 6.612 -11.582 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.215 4.556 -13.062 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.741 4.174 -12.145 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.111 5.002 -13.645 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.116 2.794 -14.345 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.468 3.256 -14.725 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.885 1.421 -13.526 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.168 2.436 -12.125 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.679 1.346 -12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.476 0.194 -11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.104 -1.253 -11.053 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.476 -0.516 -11.768 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.358 -1.654 -11.008 1.00 0.00 H new ATOM 1011 N ILE A 91 -11.774 6.430 -14.655 1.00 0.00 N ATOM 1012 CA ILE A 91 -11.553 7.371 -15.746 1.00 0.00 C ATOM 1013 C ILE A 91 -11.636 6.672 -17.100 1.00 0.00 C ATOM 1014 O ILE A 91 -12.594 6.860 -17.849 1.00 0.00 O ATOM 1015 CB ILE A 91 -10.183 8.065 -15.621 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -10.087 8.820 -14.295 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -9.960 9.009 -16.793 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -8.667 9.028 -13.818 1.00 0.00 C ATOM 0 H ILE A 91 -10.933 5.948 -14.336 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.339 8.123 -15.680 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.403 7.303 -15.639 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.571 9.791 -14.403 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.641 8.271 -13.533 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.988 9.492 -16.691 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.989 8.445 -17.725 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.743 9.767 -16.803 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.677 9.570 -12.872 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.185 8.061 -13.677 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.114 9.604 -14.561 1.00 0.00 H new ATOM 1029 N HIS A 92 -10.625 5.864 -17.405 1.00 0.00 N ATOM 1030 CA HIS A 92 -10.586 5.134 -18.667 1.00 0.00 C ATOM 1031 C HIS A 92 -10.580 3.629 -18.424 1.00 0.00 C ATOM 1032 O HIS A 92 -9.603 2.934 -18.701 1.00 0.00 O ATOM 1033 CB HIS A 92 -9.351 5.537 -19.474 1.00 0.00 C ATOM 1034 CG HIS A 92 -9.427 5.152 -20.919 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -10.419 5.602 -21.766 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -8.628 4.357 -21.666 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -10.226 5.097 -22.972 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -9.146 4.338 -22.938 1.00 0.00 N ATOM 0 H HIS A 92 -9.823 5.699 -16.796 1.00 0.00 H new ATOM 0 HA HIS A 92 -11.481 5.389 -19.234 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -9.216 6.616 -19.401 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.470 5.074 -19.029 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.746 3.834 -21.326 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.846 5.275 -23.838 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.759 3.822 -23.728 1.00 0.00 H new ATOM 1045 N PRO A 93 -11.698 3.110 -17.894 1.00 0.00 N ATOM 1046 CA PRO A 93 -11.846 1.682 -17.602 1.00 0.00 C ATOM 1047 C PRO A 93 -11.940 0.837 -18.868 1.00 0.00 C ATOM 1048 O PRO A 93 -11.712 1.331 -19.971 1.00 0.00 O ATOM 1049 CB PRO A 93 -13.160 1.614 -16.817 1.00 0.00 C ATOM 1050 CG PRO A 93 -13.926 2.813 -17.257 1.00 0.00 C ATOM 1051 CD PRO A 93 -12.902 3.880 -17.538 1.00 0.00 C ATOM 0 HA PRO A 93 -10.987 1.287 -17.059 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.704 0.695 -17.034 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.980 1.631 -15.742 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.516 2.594 -18.147 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.624 3.136 -16.484 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.216 4.534 -18.351 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.732 4.513 -16.667 1.00 0.00 H new ATOM 1056 N ASN A 94 -12.277 -0.437 -18.701 1.00 0.00 N ATOM 1057 CA ASN A 94 -12.400 -1.349 -19.833 1.00 0.00 C ATOM 1058 C ASN A 94 -13.797 -1.960 -19.888 1.00 0.00 C ATOM 1059 O ASN A 94 -14.705 -1.528 -19.178 1.00 0.00 O ATOM 1060 CB ASN A 94 -11.350 -2.458 -19.736 1.00 0.00 C ATOM 1061 CG ASN A 94 -9.952 -1.913 -19.517 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -9.658 -1.333 -18.472 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -9.083 -2.097 -20.505 1.00 0.00 N ATOM 0 H ASN A 94 -12.470 -0.862 -17.794 1.00 0.00 H new ATOM 0 HA ASN A 94 -12.235 -0.780 -20.748 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.608 -3.128 -18.916 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.367 -3.051 -20.650 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.128 -1.751 -20.415 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.371 -2.584 -21.354 1.00 0.00 H new ATOM 1069 N SER A 95 -13.963 -2.970 -20.738 1.00 0.00 N ATOM 1070 CA SER A 95 -15.248 -3.639 -20.889 1.00 0.00 C ATOM 1071 C SER A 95 -15.507 -4.591 -19.725 1.00 0.00 C ATOM 1072 O SER A 95 -16.581 -5.183 -19.619 1.00 0.00 O ATOM 1073 CB SER A 95 -15.295 -4.408 -22.212 1.00 0.00 C ATOM 1074 OG SER A 95 -16.610 -4.852 -22.496 1.00 0.00 O ATOM 0 H SER A 95 -13.222 -3.342 -21.332 1.00 0.00 H new ATOM 0 HA SER A 95 -16.027 -2.877 -20.892 1.00 0.00 H new ATOM 0 HB2 SER A 95 -14.941 -3.769 -23.021 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.621 -5.263 -22.163 1.00 0.00 H new ATOM 0 HG SER A 95 -17.054 -5.114 -21.663 1.00 0.00 H new ATOM 1079 N ILE A 96 -14.513 -4.734 -18.854 1.00 0.00 N ATOM 1080 CA ILE A 96 -14.632 -5.612 -17.697 1.00 0.00 C ATOM 1081 C ILE A 96 -14.579 -4.818 -16.396 1.00 0.00 C ATOM 1082 O ILE A 96 -14.110 -5.315 -15.372 1.00 0.00 O ATOM 1083 CB ILE A 96 -13.520 -6.677 -17.681 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -13.266 -7.201 -19.096 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -13.890 -7.816 -16.746 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -12.203 -8.275 -19.160 1.00 0.00 C ATOM 0 H ILE A 96 -13.617 -4.253 -18.928 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.599 -6.109 -17.777 1.00 0.00 H new ATOM 0 HB ILE A 96 -12.602 -6.217 -17.314 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -14.197 -7.598 -19.500 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -12.970 -6.369 -19.735 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -13.094 -8.560 -16.746 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -14.024 -7.429 -15.736 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -14.818 -8.277 -17.084 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.076 -8.600 -20.193 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -11.260 -7.876 -18.786 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -12.506 -9.124 -18.548 1.00 0.00 H new ATOM 1097 N CYS A 97 -15.065 -3.582 -16.443 1.00 0.00 N ATOM 1098 CA CYS A 97 -15.076 -2.718 -15.270 1.00 0.00 C ATOM 1099 C CYS A 97 -16.381 -1.932 -15.183 1.00 0.00 C ATOM 1100 O CYS A 97 -16.620 -1.020 -15.974 1.00 0.00 O ATOM 1101 CB CYS A 97 -13.889 -1.754 -15.309 1.00 0.00 C ATOM 1102 SG CYS A 97 -12.298 -2.549 -15.706 1.00 0.00 S ATOM 0 H CYS A 97 -15.457 -3.156 -17.283 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.994 -3.350 -14.385 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.089 -0.978 -16.047 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -13.804 -1.259 -14.341 1.00 0.00 H new ATOM 1106 N ALA A 98 -17.220 -2.292 -14.218 1.00 0.00 N ATOM 1107 CA ALA A 98 -18.500 -1.620 -14.027 1.00 0.00 C ATOM 1108 C ALA A 98 -19.313 -1.614 -15.315 1.00 0.00 C ATOM 1109 O ALA A 98 -20.091 -0.694 -15.566 1.00 0.00 O ATOM 1110 CB ALA A 98 -18.279 -0.198 -13.534 1.00 0.00 C ATOM 0 H ALA A 98 -17.037 -3.046 -13.556 1.00 0.00 H new ATOM 0 HA ALA A 98 -19.064 -2.171 -13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -19.242 0.293 -13.395 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -17.744 -0.221 -12.585 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -17.693 0.355 -14.268 1.00 0.00 H new ATOM 1116 N ALA A 99 -19.132 -2.649 -16.130 1.00 0.00 N ATOM 1117 CA ALA A 99 -19.852 -2.764 -17.393 1.00 0.00 C ATOM 1118 C ALA A 99 -19.468 -1.638 -18.347 1.00 0.00 C ATOM 1119 O ALA A 99 -20.312 -1.109 -19.068 1.00 0.00 O ATOM 1120 CB ALA A 99 -21.353 -2.760 -17.146 1.00 0.00 C ATOM 0 H ALA A 99 -18.493 -3.420 -15.938 1.00 0.00 H new ATOM 0 HA ALA A 99 -19.574 -3.710 -17.858 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -21.878 -2.846 -18.097 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -21.619 -3.602 -16.507 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.639 -1.829 -16.657 1.00 0.00 H new ATOM 1126 N ASN A 100 -18.188 -1.279 -18.348 1.00 0.00 N ATOM 1127 CA ASN A 100 -17.693 -0.216 -19.214 1.00 0.00 C ATOM 1128 C ASN A 100 -18.331 1.122 -18.853 1.00 0.00 C ATOM 1129 O ASN A 100 -18.738 1.882 -19.730 1.00 0.00 O ATOM 1130 CB ASN A 100 -17.976 -0.551 -20.679 1.00 0.00 C ATOM 1131 CG ASN A 100 -17.027 0.158 -21.628 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -16.395 -0.605 -22.510 1.00 0.00 O flip ATOM 1133 ND2 ASN A 100 -16.867 1.377 -21.568 1.00 0.00 N flip ATOM 0 H ASN A 100 -17.475 -1.709 -17.759 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.616 -0.135 -19.069 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -17.894 -1.628 -20.825 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.002 -0.274 -20.921 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.375 1.924 -20.873 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -16.227 1.840 -22.213 1.00 0.00 H new ATOM 1139 N ASN A 101 -18.416 1.400 -17.556 1.00 0.00 N ATOM 1140 CA ASN A 101 -19.005 2.645 -17.080 1.00 0.00 C ATOM 1141 C ASN A 101 -17.937 3.564 -16.493 1.00 0.00 C ATOM 1142 O ASN A 101 -16.852 3.114 -16.121 1.00 0.00 O ATOM 1143 CB ASN A 101 -20.079 2.357 -16.029 1.00 0.00 C ATOM 1144 CG ASN A 101 -21.393 1.923 -16.649 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -21.338 0.906 -17.500 1.00 0.00 O flip ATOM 1146 ND2 ASN A 101 -22.445 2.496 -16.365 1.00 0.00 N flip ATOM 0 H ASN A 101 -18.085 0.780 -16.817 1.00 0.00 H new ATOM 0 HA ASN A 101 -19.464 3.148 -17.931 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.724 1.578 -15.355 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -20.242 3.250 -15.426 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -22.440 3.274 -15.705 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -23.322 2.193 -16.790 1.00 0.00 H new ATOM 1152 N THR A 102 -18.252 4.852 -16.410 1.00 0.00 N ATOM 1153 CA THR A 102 -17.321 5.834 -15.868 1.00 0.00 C ATOM 1154 C THR A 102 -17.830 6.407 -14.552 1.00 0.00 C ATOM 1155 O THR A 102 -18.931 6.084 -14.106 1.00 0.00 O ATOM 1156 CB THR A 102 -17.082 6.988 -16.860 1.00 0.00 C ATOM 1157 OG1 THR A 102 -17.464 6.587 -18.180 1.00 0.00 O ATOM 1158 CG2 THR A 102 -15.619 7.410 -16.856 1.00 0.00 C ATOM 0 H THR A 102 -19.146 5.240 -16.711 1.00 0.00 H new ATOM 0 HA THR A 102 -16.379 5.314 -15.693 1.00 0.00 H new ATOM 0 HB THR A 102 -17.690 7.837 -16.549 1.00 0.00 H new ATOM 0 HG1 THR A 102 -17.310 7.327 -18.804 1.00 0.00 H new ATOM 0 HG21 THR A 102 -15.474 8.226 -17.564 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.339 7.743 -15.856 1.00 0.00 H new ATOM 0 HG23 THR A 102 -14.995 6.564 -17.145 1.00 0.00 H new ATOM 1166 N GLY A 103 -17.021 7.262 -13.930 1.00 0.00 N ATOM 1167 CA GLY A 103 -17.408 7.867 -12.669 1.00 0.00 C ATOM 1168 C GLY A 103 -16.660 7.280 -11.490 1.00 0.00 C ATOM 1169 O GLY A 103 -15.705 6.521 -11.665 1.00 0.00 O ATOM 0 H GLY A 103 -16.105 7.546 -14.278 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.225 8.941 -12.713 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.479 7.733 -12.519 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.092 7.630 -10.282 1.00 0.00 N ATOM 1174 CA VAL A 104 -16.456 7.133 -9.069 1.00 0.00 C ATOM 1175 C VAL A 104 -17.258 5.991 -8.456 1.00 0.00 C ATOM 1176 O VAL A 104 -18.215 6.218 -7.714 1.00 0.00 O ATOM 1177 CB VAL A 104 -16.292 8.251 -8.022 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -15.672 7.702 -6.747 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -15.454 9.389 -8.585 1.00 0.00 C ATOM 0 H VAL A 104 -17.880 8.256 -10.118 1.00 0.00 H new ATOM 0 HA VAL A 104 -15.470 6.767 -9.356 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.279 8.643 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.564 8.506 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.315 6.924 -6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.692 7.281 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.348 10.170 -7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.468 9.014 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.944 9.800 -9.468 1.00 0.00 H new ATOM 1189 N TYR A 105 -16.863 4.762 -8.768 1.00 0.00 N ATOM 1190 CA TYR A 105 -17.547 3.584 -8.250 1.00 0.00 C ATOM 1191 C TYR A 105 -17.501 3.554 -6.725 1.00 0.00 C ATOM 1192 O TYR A 105 -16.448 3.764 -6.122 1.00 0.00 O ATOM 1193 CB TYR A 105 -16.915 2.311 -8.816 1.00 0.00 C ATOM 1194 CG TYR A 105 -17.919 1.227 -9.138 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -18.853 1.398 -10.152 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -17.932 0.032 -8.430 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -19.773 0.411 -10.448 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -18.847 -0.961 -8.721 1.00 0.00 C ATOM 1199 CZ TYR A 105 -19.766 -0.766 -9.731 1.00 0.00 C ATOM 1200 OH TYR A 105 -20.680 -1.752 -10.026 1.00 0.00 O ATOM 0 H TYR A 105 -16.072 4.556 -9.378 1.00 0.00 H new ATOM 0 HA TYR A 105 -18.590 3.634 -8.563 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -16.361 2.562 -9.721 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -16.193 1.924 -8.097 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -18.860 2.318 -10.718 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -17.214 -0.123 -7.638 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -20.494 0.561 -11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -18.843 -1.885 -8.161 1.00 0.00 H new ATOM 0 HH TYR A 105 -20.540 -2.517 -9.430 1.00 0.00 H new ATOM 1209 N ILE A 106 -18.648 3.292 -6.109 1.00 0.00 N ATOM 1210 CA ILE A 106 -18.740 3.232 -4.657 1.00 0.00 C ATOM 1211 C ILE A 106 -19.289 1.886 -4.193 1.00 0.00 C ATOM 1212 O ILE A 106 -20.207 1.335 -4.806 1.00 0.00 O ATOM 1213 CB ILE A 106 -19.633 4.357 -4.102 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -19.237 5.702 -4.715 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -19.535 4.411 -2.584 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -20.086 6.857 -4.234 1.00 0.00 C ATOM 0 H ILE A 106 -19.528 3.118 -6.594 1.00 0.00 H new ATOM 0 HA ILE A 106 -17.728 3.359 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 106 -20.668 4.146 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -18.193 5.906 -4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -19.312 5.634 -5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -20.172 5.211 -2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -19.861 3.459 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -18.502 4.601 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -19.750 7.778 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -21.129 6.675 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -19.992 6.952 -3.152 1.00 0.00 H new ATOM 1227 N LEU A 107 -18.724 1.363 -3.112 1.00 0.00 N ATOM 1228 CA LEU A 107 -19.159 0.081 -2.566 1.00 0.00 C ATOM 1229 C LEU A 107 -19.636 0.238 -1.126 1.00 0.00 C ATOM 1230 O LEU A 107 -19.181 1.124 -0.402 1.00 0.00 O ATOM 1231 CB LEU A 107 -18.019 -0.936 -2.631 1.00 0.00 C ATOM 1232 CG LEU A 107 -17.834 -1.652 -3.970 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -16.980 -0.815 -4.909 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -17.210 -3.024 -3.758 1.00 0.00 C ATOM 0 H LEU A 107 -17.964 1.806 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.993 -0.280 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.089 -0.425 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.185 -1.688 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.814 -1.787 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.859 -1.340 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -17.466 0.144 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.001 -0.648 -4.459 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.085 -3.520 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -16.237 -2.911 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.860 -3.625 -3.122 1.00 0.00 H new ATOM 1306 N GLN A 113 -11.064 -8.396 1.175 1.00 0.00 N ATOM 1307 CA GLN A 113 -9.619 -8.237 1.054 1.00 0.00 C ATOM 1308 C GLN A 113 -9.245 -7.702 -0.325 1.00 0.00 C ATOM 1309 O GLN A 113 -9.440 -8.375 -1.337 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.915 -9.572 1.305 1.00 0.00 C ATOM 1311 CG GLN A 113 -8.545 -9.801 2.761 1.00 0.00 C ATOM 1312 CD GLN A 113 -8.611 -11.262 3.158 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -8.931 -12.126 2.340 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -8.307 -11.548 4.419 1.00 0.00 N ATOM 0 HA GLN A 113 -9.293 -7.516 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.563 -10.383 0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -8.011 -9.616 0.698 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -7.537 -9.425 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.217 -9.225 3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.047 -10.801 5.063 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -8.333 -12.515 4.743 1.00 0.00 H new ATOM 1321 N TYR A 114 -8.703 -6.488 -0.356 1.00 0.00 N ATOM 1322 CA TYR A 114 -8.304 -5.861 -1.610 1.00 0.00 C ATOM 1323 C TYR A 114 -7.272 -4.765 -1.365 1.00 0.00 C ATOM 1324 O TYR A 114 -6.925 -4.466 -0.223 1.00 0.00 O ATOM 1325 CB TYR A 114 -9.525 -5.281 -2.325 1.00 0.00 C ATOM 1326 CG TYR A 114 -10.267 -6.289 -3.172 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -9.605 -7.038 -4.137 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -11.632 -6.494 -3.006 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -10.280 -7.960 -4.913 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -12.315 -7.415 -3.777 1.00 0.00 C ATOM 1331 CZ TYR A 114 -11.634 -8.145 -4.729 1.00 0.00 C ATOM 1332 OH TYR A 114 -12.311 -9.064 -5.499 1.00 0.00 O ATOM 0 H TYR A 114 -8.530 -5.920 0.473 1.00 0.00 H new ATOM 0 HA TYR A 114 -7.852 -6.625 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.209 -4.870 -1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.206 -4.453 -2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -8.544 -6.897 -4.283 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -12.168 -5.924 -2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -9.750 -8.533 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.375 -7.562 -3.635 1.00 0.00 H new ATOM 0 HH TYR A 114 -13.257 -9.072 -5.243 1.00 0.00 H new ATOM 1341 N ASP A 115 -6.787 -4.168 -2.448 1.00 0.00 N ATOM 1342 CA ASP A 115 -5.796 -3.101 -2.354 1.00 0.00 C ATOM 1343 C ASP A 115 -6.300 -1.970 -1.464 1.00 0.00 C ATOM 1344 O ASP A 115 -7.439 -1.992 -0.996 1.00 0.00 O ATOM 1345 CB ASP A 115 -5.462 -2.562 -3.745 1.00 0.00 C ATOM 1346 CG ASP A 115 -3.992 -2.219 -3.895 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -3.153 -2.924 -3.295 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -3.681 -1.245 -4.611 1.00 0.00 O ATOM 0 H ASP A 115 -7.063 -4.404 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 115 -4.892 -3.516 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.738 -3.304 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.061 -1.673 -3.941 1.00 0.00 H new ATOM 1352 N THR A 116 -5.442 -0.979 -1.234 1.00 0.00 N ATOM 1353 CA THR A 116 -5.799 0.161 -0.398 1.00 0.00 C ATOM 1354 C THR A 116 -5.113 1.433 -0.882 1.00 0.00 C ATOM 1355 O THR A 116 -4.044 1.379 -1.492 1.00 0.00 O ATOM 1356 CB THR A 116 -5.423 -0.084 1.075 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.976 0.949 1.900 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.912 -0.122 1.250 1.00 0.00 C ATOM 0 H THR A 116 -4.496 -0.944 -1.615 1.00 0.00 H new ATOM 0 HA THR A 116 -6.879 0.283 -0.474 1.00 0.00 H new ATOM 0 HB THR A 116 -5.832 -1.049 1.375 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.253 1.418 2.366 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.671 -0.296 2.299 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.496 -0.926 0.644 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.485 0.829 0.933 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.731 2.575 -0.607 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.180 3.861 -1.015 1.00 0.00 C ATOM 1368 C TYR A 117 -4.717 4.665 0.195 1.00 0.00 C ATOM 1369 O TYR A 117 -5.238 4.503 1.300 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.222 4.658 -1.803 1.00 0.00 C ATOM 1371 CG TYR A 117 -6.615 4.014 -3.113 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -5.655 3.469 -3.957 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -7.946 3.949 -3.506 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.009 2.880 -5.154 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.309 3.360 -4.701 1.00 0.00 C ATOM 1376 CZ TYR A 117 -7.338 2.827 -5.523 1.00 0.00 C ATOM 1377 OH TYR A 117 -7.694 2.239 -6.714 1.00 0.00 O ATOM 0 H TYR A 117 -6.615 2.637 -0.102 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.317 3.672 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.113 4.783 -1.188 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -5.830 5.655 -2.002 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -4.614 3.507 -3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -8.710 4.366 -2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -5.250 2.463 -5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -9.349 3.317 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 117 -8.667 2.284 -6.823 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.735 5.534 -0.020 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.200 6.365 1.051 1.00 0.00 C ATOM 1388 C CYS A 118 -2.839 7.755 0.533 1.00 0.00 C ATOM 1389 O CYS A 118 -2.489 7.923 -0.633 1.00 0.00 O ATOM 1390 CB CYS A 118 -1.966 5.705 1.669 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.265 4.024 2.309 1.00 0.00 S ATOM 0 H CYS A 118 -3.293 5.681 -0.928 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.971 6.469 1.815 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.176 5.662 0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.600 6.332 2.482 1.00 0.00 H new ATOM 1395 N PHE A 119 -2.930 8.749 1.411 1.00 0.00 N ATOM 1396 CA PHE A 119 -2.616 10.125 1.044 1.00 0.00 C ATOM 1397 C PHE A 119 -1.570 10.714 1.986 1.00 0.00 C ATOM 1398 O PHE A 119 -1.529 10.380 3.170 1.00 0.00 O ATOM 1399 CB PHE A 119 -3.882 10.984 1.067 1.00 0.00 C ATOM 1400 CG PHE A 119 -3.609 12.456 0.946 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.529 13.059 -0.300 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -3.433 13.236 2.077 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.279 14.414 -0.415 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -3.184 14.592 1.967 1.00 0.00 C ATOM 1405 CZ PHE A 119 -3.104 15.180 0.721 1.00 0.00 C ATOM 0 H PHE A 119 -3.219 8.627 2.382 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.208 10.121 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.536 10.675 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.421 10.798 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.664 12.463 -1.191 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -3.491 12.781 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.221 14.873 -1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.052 15.191 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.905 16.238 0.634 1.00 0.00 H new ATOM 1414 N ASN A 120 -0.728 11.591 1.452 1.00 0.00 N ATOM 1415 CA ASN A 120 0.318 12.226 2.245 1.00 0.00 C ATOM 1416 C ASN A 120 0.232 13.746 2.142 1.00 0.00 C ATOM 1417 O ASN A 120 0.021 14.294 1.059 1.00 0.00 O ATOM 1418 CB ASN A 120 1.697 11.751 1.781 1.00 0.00 C ATOM 1419 CG ASN A 120 1.757 11.521 0.283 1.00 0.00 C ATOM 1420 OD1 ASN A 120 1.197 12.290 -0.497 1.00 0.00 O ATOM 1421 ND2 ASN A 120 2.438 10.455 -0.124 1.00 0.00 N ATOM 0 H ASN A 120 -0.749 11.879 0.474 1.00 0.00 H new ATOM 0 HA ASN A 120 0.173 11.941 3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.446 12.491 2.062 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.952 10.826 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 120 2.512 10.247 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 120 2.886 9.845 0.559 1.00 0.00 H new ATOM 1427 N ALA A 121 0.397 14.421 3.275 1.00 0.00 N ATOM 1428 CA ALA A 121 0.339 15.877 3.312 1.00 0.00 C ATOM 1429 C ALA A 121 1.733 16.484 3.192 1.00 0.00 C ATOM 1430 O ALA A 121 2.041 17.485 3.840 1.00 0.00 O ATOM 1431 CB ALA A 121 -0.335 16.345 4.592 1.00 0.00 C ATOM 0 H ALA A 121 0.572 13.983 4.179 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.251 16.215 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.372 17.434 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.349 15.947 4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.232 15.989 5.453 1.00 0.00 H new ATOM 1437 N SER A 122 2.570 15.873 2.362 1.00 0.00 N ATOM 1438 CA SER A 122 3.934 16.350 2.161 1.00 0.00 C ATOM 1439 C SER A 122 4.230 16.538 0.676 1.00 0.00 C ATOM 1440 O SER A 122 4.799 17.550 0.269 1.00 0.00 O ATOM 1441 CB SER A 122 4.936 15.371 2.775 1.00 0.00 C ATOM 1442 OG SER A 122 6.195 15.989 2.978 1.00 0.00 O ATOM 0 H SER A 122 2.328 15.046 1.817 1.00 0.00 H new ATOM 0 HA SER A 122 4.032 17.315 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.552 15.001 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.053 14.507 2.120 1.00 0.00 H new ATOM 0 HG SER A 122 6.640 15.579 3.749 1.00 0.00 H new ATOM 1447 N ALA A 123 3.841 15.552 -0.128 1.00 0.00 N ATOM 1448 CA ALA A 123 4.063 15.609 -1.566 1.00 0.00 C ATOM 1449 C ALA A 123 3.385 16.829 -2.181 1.00 0.00 C ATOM 1450 O ALA A 123 2.478 17.423 -1.598 1.00 0.00 O ATOM 1451 CB ALA A 123 3.560 14.334 -2.228 1.00 0.00 C ATOM 0 H ALA A 123 3.371 14.706 0.194 1.00 0.00 H new ATOM 0 HA ALA A 123 5.136 15.698 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.732 14.390 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 123 4.094 13.476 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.493 14.221 -2.037 1.00 0.00 H new ATOM 1457 N PRO A 124 3.835 17.214 -3.384 1.00 0.00 N ATOM 1458 CA PRO A 124 3.285 18.367 -4.102 1.00 0.00 C ATOM 1459 C PRO A 124 1.868 18.117 -4.604 1.00 0.00 C ATOM 1460 O PRO A 124 1.374 16.990 -4.601 1.00 0.00 O ATOM 1461 CB PRO A 124 4.246 18.541 -5.281 1.00 0.00 C ATOM 1462 CG PRO A 124 4.832 17.189 -5.496 1.00 0.00 C ATOM 1463 CD PRO A 124 4.915 16.552 -4.137 1.00 0.00 C ATOM 0 HA PRO A 124 3.208 19.246 -3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.722 18.891 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.019 19.276 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.210 16.597 -6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.818 17.260 -5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.766 15.473 -4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.888 16.718 -3.674 1.00 0.00 H new ATOM 1468 N PRO A 125 1.196 19.191 -5.044 1.00 0.00 N ATOM 1469 CA PRO A 125 -0.174 19.112 -5.558 1.00 0.00 C ATOM 1470 C PRO A 125 -0.250 18.392 -6.900 1.00 0.00 C ATOM 1471 O PRO A 125 -1.337 18.092 -7.392 1.00 0.00 O ATOM 1472 CB PRO A 125 -0.579 20.581 -5.715 1.00 0.00 C ATOM 1473 CG PRO A 125 0.706 21.310 -5.894 1.00 0.00 C ATOM 1474 CD PRO A 125 1.725 20.566 -5.076 1.00 0.00 C ATOM 0 HA PRO A 125 -0.826 18.544 -4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.237 20.721 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -1.119 20.939 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 125 0.995 21.338 -6.945 1.00 0.00 H new ATOM 0 HG3 PRO A 125 0.617 22.344 -5.560 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.714 20.606 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.819 20.984 -4.074 1.00 0.00 H new ATOM 1479 N GLU A 126 0.912 18.117 -7.486 1.00 0.00 N ATOM 1480 CA GLU A 126 0.976 17.433 -8.772 1.00 0.00 C ATOM 1481 C GLU A 126 1.395 15.977 -8.592 1.00 0.00 C ATOM 1482 O GLU A 126 1.477 15.478 -7.470 1.00 0.00 O ATOM 1483 CB GLU A 126 1.955 18.147 -9.706 1.00 0.00 C ATOM 1484 CG GLU A 126 1.658 19.626 -9.884 1.00 0.00 C ATOM 1485 CD GLU A 126 2.531 20.272 -10.942 1.00 0.00 C ATOM 1486 OE1 GLU A 126 2.636 19.707 -12.050 1.00 0.00 O ATOM 1487 OE2 GLU A 126 3.107 21.343 -10.664 1.00 0.00 O ATOM 0 H GLU A 126 1.821 18.357 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.019 17.454 -9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.966 18.033 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.934 17.661 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.610 19.752 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 126 1.805 20.139 -8.934 1.00 0.00 H new ATOM 1492 N GLU A 127 1.659 15.302 -9.707 1.00 0.00 N ATOM 1493 CA GLU A 127 2.069 13.903 -9.673 1.00 0.00 C ATOM 1494 C GLU A 127 3.573 13.783 -9.444 1.00 0.00 C ATOM 1495 O GLU A 127 4.370 14.390 -10.159 1.00 0.00 O ATOM 1496 CB GLU A 127 1.682 13.203 -10.976 1.00 0.00 C ATOM 1497 CG GLU A 127 2.399 13.753 -12.198 1.00 0.00 C ATOM 1498 CD GLU A 127 3.666 12.987 -12.524 1.00 0.00 C ATOM 1499 OE1 GLU A 127 4.066 12.127 -11.712 1.00 0.00 O ATOM 1500 OE2 GLU A 127 4.258 13.248 -13.594 1.00 0.00 O ATOM 0 H GLU A 127 1.596 15.701 -10.644 1.00 0.00 H new ATOM 0 HA GLU A 127 1.553 13.419 -8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.900 12.139 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.606 13.297 -11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.727 13.718 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.646 14.801 -12.029 1.00 0.00 H new ATOM 1505 N ASP A 128 3.951 12.995 -8.444 1.00 0.00 N ATOM 1506 CA ASP A 128 5.360 12.792 -8.121 1.00 0.00 C ATOM 1507 C ASP A 128 5.747 11.325 -8.274 1.00 0.00 C ATOM 1508 O ASP A 128 5.222 10.458 -7.573 1.00 0.00 O ATOM 1509 CB ASP A 128 5.651 13.265 -6.696 1.00 0.00 C ATOM 1510 CG ASP A 128 7.101 13.659 -6.501 1.00 0.00 C ATOM 1511 OD1 ASP A 128 7.930 13.320 -7.371 1.00 0.00 O ATOM 1512 OD2 ASP A 128 7.408 14.306 -5.478 1.00 0.00 O ATOM 0 H ASP A 128 3.303 12.486 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 128 5.956 13.380 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.012 14.116 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 128 5.396 12.471 -5.994 1.00 0.00 H new ATOM 1516 N CYS A 129 6.667 11.052 -9.192 1.00 0.00 N ATOM 1517 CA CYS A 129 7.125 9.691 -9.437 1.00 0.00 C ATOM 1518 C CYS A 129 8.388 9.389 -8.636 1.00 0.00 C ATOM 1519 O CYS A 129 9.387 8.923 -9.185 1.00 0.00 O ATOM 1520 CB CYS A 129 7.391 9.481 -10.930 1.00 0.00 C ATOM 1521 SG CYS A 129 5.899 9.112 -11.907 1.00 0.00 S ATOM 0 H CYS A 129 7.111 11.758 -9.780 1.00 0.00 H new ATOM 0 HA CYS A 129 6.340 9.007 -9.115 1.00 0.00 H new ATOM 0 HB2 CYS A 129 7.864 10.376 -11.333 1.00 0.00 H new ATOM 0 HB3 CYS A 129 8.102 8.664 -11.050 1.00 0.00 H new ATOM 1525 N THR A 130 8.335 9.654 -7.336 1.00 0.00 N ATOM 1526 CA THR A 130 9.474 9.412 -6.458 1.00 0.00 C ATOM 1527 C THR A 130 9.072 9.525 -4.992 1.00 0.00 C ATOM 1528 O THR A 130 7.922 9.830 -4.676 1.00 0.00 O ATOM 1529 CB THR A 130 10.620 10.400 -6.742 1.00 0.00 C ATOM 1530 OG1 THR A 130 10.116 11.558 -7.417 1.00 0.00 O ATOM 1531 CG2 THR A 130 11.702 9.745 -7.589 1.00 0.00 C ATOM 0 H THR A 130 7.515 10.037 -6.866 1.00 0.00 H new ATOM 0 HA THR A 130 9.819 8.398 -6.659 1.00 0.00 H new ATOM 0 HB THR A 130 11.056 10.698 -5.788 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.332 11.900 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.501 10.462 -7.777 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.106 8.882 -7.060 1.00 0.00 H new ATOM 0 HG23 THR A 130 11.275 9.421 -8.538 1.00 0.00 H new ATOM 1539 N SER A 131 10.026 9.277 -4.101 1.00 0.00 N ATOM 1540 CA SER A 131 9.771 9.347 -2.667 1.00 0.00 C ATOM 1541 C SER A 131 10.389 10.606 -2.066 1.00 0.00 C ATOM 1542 O SER A 131 11.572 10.886 -2.264 1.00 0.00 O ATOM 1543 CB SER A 131 10.329 8.107 -1.967 1.00 0.00 C ATOM 1544 OG SER A 131 11.679 8.303 -1.581 1.00 0.00 O ATOM 0 H SER A 131 10.983 9.026 -4.347 1.00 0.00 H new ATOM 0 HA SER A 131 8.692 9.385 -2.516 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.726 7.879 -1.088 1.00 0.00 H new ATOM 0 HB3 SER A 131 10.259 7.247 -2.633 1.00 0.00 H new ATOM 0 HG SER A 131 12.034 9.101 -2.026 1.00 0.00 H new ATOM 1549 N VAL A 132 9.580 11.362 -1.331 1.00 0.00 N ATOM 1550 CA VAL A 132 10.045 12.591 -0.700 1.00 0.00 C ATOM 1551 C VAL A 132 9.963 12.493 0.819 1.00 0.00 C ATOM 1552 O VAL A 132 10.681 13.191 1.536 1.00 0.00 O ATOM 1553 CB VAL A 132 9.227 13.809 -1.170 1.00 0.00 C ATOM 1554 CG1 VAL A 132 9.700 15.073 -0.470 1.00 0.00 C ATOM 1555 CG2 VAL A 132 9.317 13.960 -2.682 1.00 0.00 C ATOM 0 H VAL A 132 8.599 11.145 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 132 11.085 12.725 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 132 8.182 13.647 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 132 9.110 15.922 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.578 14.960 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 132 10.752 15.244 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 132 8.733 14.825 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 132 10.358 14.100 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.924 13.063 -3.161 1.00 0.00 H new ATOM 1565 N THR A 133 9.084 11.623 1.303 1.00 0.00 N ATOM 1566 CA THR A 133 8.907 11.434 2.739 1.00 0.00 C ATOM 1567 C THR A 133 9.521 10.115 3.198 1.00 0.00 C ATOM 1568 O THR A 133 10.055 9.354 2.393 1.00 0.00 O ATOM 1569 CB THR A 133 7.418 11.458 3.130 1.00 0.00 C ATOM 1570 OG1 THR A 133 6.645 10.740 2.160 1.00 0.00 O ATOM 1571 CG2 THR A 133 6.909 12.889 3.232 1.00 0.00 C ATOM 0 H THR A 133 8.483 11.037 0.723 1.00 0.00 H new ATOM 0 HA THR A 133 9.417 12.261 3.233 1.00 0.00 H new ATOM 0 HB THR A 133 7.313 10.980 4.104 1.00 0.00 H new ATOM 0 HG1 THR A 133 5.699 10.758 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 133 5.855 12.881 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 133 7.480 13.425 3.990 1.00 0.00 H new ATOM 0 HG23 THR A 133 7.027 13.387 2.270 1.00 0.00 H new ATOM 1579 N ASP A 134 9.438 9.852 4.497 1.00 0.00 N ATOM 1580 CA ASP A 134 9.982 8.624 5.065 1.00 0.00 C ATOM 1581 C ASP A 134 9.098 8.108 6.196 1.00 0.00 C ATOM 1582 O ASP A 134 8.733 8.857 7.104 1.00 0.00 O ATOM 1583 CB ASP A 134 11.403 8.862 5.581 1.00 0.00 C ATOM 1584 CG ASP A 134 12.306 9.477 4.528 1.00 0.00 C ATOM 1585 OD1 ASP A 134 12.497 8.843 3.469 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.819 10.590 4.764 1.00 0.00 O ATOM 0 H ASP A 134 8.999 10.473 5.177 1.00 0.00 H new ATOM 0 HA ASP A 134 10.009 7.871 4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.366 9.517 6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 134 11.829 7.915 5.913 1.00 0.00 H new ATOM 1590 N LEU A 135 8.757 6.827 6.134 1.00 0.00 N ATOM 1591 CA LEU A 135 7.913 6.210 7.153 1.00 0.00 C ATOM 1592 C LEU A 135 8.340 6.645 8.550 1.00 0.00 C ATOM 1593 O LEU A 135 9.489 7.023 8.786 1.00 0.00 O ATOM 1594 CB LEU A 135 7.974 4.687 7.040 1.00 0.00 C ATOM 1595 CG LEU A 135 9.321 4.098 6.618 1.00 0.00 C ATOM 1596 CD1 LEU A 135 10.289 4.088 7.791 1.00 0.00 C ATOM 1597 CD2 LEU A 135 9.138 2.693 6.062 1.00 0.00 C ATOM 0 H LEU A 135 9.051 6.194 5.390 1.00 0.00 H new ATOM 0 HA LEU A 135 6.887 6.539 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.700 4.260 8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.219 4.365 6.323 1.00 0.00 H new ATOM 0 HG LEU A 135 9.741 4.726 5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 135 11.242 3.666 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.444 5.108 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.876 3.483 8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.107 2.290 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.696 2.054 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 135 8.480 2.728 5.194 1.00 0.00 H new ATOM 1608 N PRO A 136 7.397 6.591 9.503 1.00 0.00 N ATOM 1609 CA PRO A 136 7.655 6.972 10.895 1.00 0.00 C ATOM 1610 C PRO A 136 8.571 5.984 11.608 1.00 0.00 C ATOM 1611 O PRO A 136 8.115 5.167 12.407 1.00 0.00 O ATOM 1612 CB PRO A 136 6.261 6.963 11.529 1.00 0.00 C ATOM 1613 CG PRO A 136 5.472 6.015 10.692 1.00 0.00 C ATOM 1614 CD PRO A 136 6.008 6.150 9.294 1.00 0.00 C ATOM 0 HA PRO A 136 8.165 7.933 10.966 1.00 0.00 H new ATOM 0 HB2 PRO A 136 6.300 6.636 12.568 1.00 0.00 H new ATOM 0 HB3 PRO A 136 5.817 7.959 11.525 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.580 4.993 11.054 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.409 6.255 10.727 1.00 0.00 H new ATOM 0 HD2 PRO A 136 5.964 5.205 8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.439 6.876 8.714 1.00 0.00 H new ATOM 1708 N THR A 144 9.729 -4.618 4.187 1.00 0.00 N ATOM 1709 CA THR A 144 10.606 -4.023 3.186 1.00 0.00 C ATOM 1710 C THR A 144 9.817 -3.158 2.209 1.00 0.00 C ATOM 1711 O THR A 144 9.098 -3.672 1.351 1.00 0.00 O ATOM 1712 CB THR A 144 11.372 -5.099 2.397 1.00 0.00 C ATOM 1713 OG1 THR A 144 11.401 -6.324 3.141 1.00 0.00 O ATOM 1714 CG2 THR A 144 12.794 -4.646 2.102 1.00 0.00 C ATOM 0 HA THR A 144 11.321 -3.401 3.724 1.00 0.00 H new ATOM 0 HB THR A 144 10.856 -5.260 1.451 1.00 0.00 H new ATOM 0 HG1 THR A 144 10.740 -6.947 2.772 1.00 0.00 H new ATOM 0 HG21 THR A 144 13.315 -5.424 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 144 12.769 -3.730 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 144 13.318 -4.459 3.039 1.00 0.00 H new ATOM 1722 N ILE A 145 9.955 -1.844 2.344 1.00 0.00 N ATOM 1723 CA ILE A 145 9.257 -0.909 1.470 1.00 0.00 C ATOM 1724 C ILE A 145 9.966 -0.775 0.128 1.00 0.00 C ATOM 1725 O ILE A 145 11.194 -0.695 0.065 1.00 0.00 O ATOM 1726 CB ILE A 145 9.138 0.484 2.117 1.00 0.00 C ATOM 1727 CG1 ILE A 145 8.128 1.342 1.351 1.00 0.00 C ATOM 1728 CG2 ILE A 145 10.498 1.167 2.156 1.00 0.00 C ATOM 1729 CD1 ILE A 145 6.927 1.745 2.179 1.00 0.00 C ATOM 0 H ILE A 145 10.544 -1.402 3.050 1.00 0.00 H new ATOM 0 HA ILE A 145 8.258 -1.313 1.310 1.00 0.00 H new ATOM 0 HB ILE A 145 8.783 0.364 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.628 2.241 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 145 7.787 0.792 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 145 10.398 2.150 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 145 11.192 0.562 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 145 10.879 1.278 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 145 6.254 2.351 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 145 6.404 0.852 2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.257 2.323 3.042 1.00 0.00 H new ATOM 1740 N THR A 146 9.185 -0.751 -0.949 1.00 0.00 N ATOM 1741 CA THR A 146 9.738 -0.626 -2.291 1.00 0.00 C ATOM 1742 C THR A 146 9.081 0.521 -3.052 1.00 0.00 C ATOM 1743 O THR A 146 7.999 0.363 -3.618 1.00 0.00 O ATOM 1744 CB THR A 146 9.560 -1.929 -3.095 1.00 0.00 C ATOM 1745 OG1 THR A 146 9.515 -3.051 -2.206 1.00 0.00 O ATOM 1746 CG2 THR A 146 10.695 -2.110 -4.091 1.00 0.00 C ATOM 0 H THR A 146 8.168 -0.817 -0.917 1.00 0.00 H new ATOM 0 HA THR A 146 10.802 -0.420 -2.177 1.00 0.00 H new ATOM 0 HB THR A 146 8.622 -1.864 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 146 8.628 -3.106 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 146 10.547 -3.036 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 146 10.708 -1.269 -4.784 1.00 0.00 H new ATOM 0 HG23 THR A 146 11.644 -2.155 -3.557 1.00 0.00 H new ATOM 1754 N ILE A 147 9.742 1.672 -3.060 1.00 0.00 N ATOM 1755 CA ILE A 147 9.222 2.846 -3.754 1.00 0.00 C ATOM 1756 C ILE A 147 9.785 2.941 -5.168 1.00 0.00 C ATOM 1757 O ILE A 147 10.905 2.509 -5.434 1.00 0.00 O ATOM 1758 CB ILE A 147 9.555 4.142 -2.993 1.00 0.00 C ATOM 1759 CG1 ILE A 147 9.152 4.013 -1.522 1.00 0.00 C ATOM 1760 CG2 ILE A 147 8.854 5.328 -3.638 1.00 0.00 C ATOM 1761 CD1 ILE A 147 9.599 5.180 -0.670 1.00 0.00 C ATOM 0 H ILE A 147 10.638 1.819 -2.595 1.00 0.00 H new ATOM 0 HA ILE A 147 8.139 2.731 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 147 10.631 4.310 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.068 3.920 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 147 9.575 3.094 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 147 9.099 6.238 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 147 9.185 5.428 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 147 7.776 5.170 -3.616 1.00 0.00 H new ATOM 0 HD11 ILE A 147 9.280 5.022 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 147 10.685 5.261 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 147 9.155 6.100 -1.051 1.00 0.00 H new ATOM 1772 N VAL A 148 8.996 3.512 -6.075 1.00 0.00 N ATOM 1773 CA VAL A 148 9.416 3.668 -7.462 1.00 0.00 C ATOM 1774 C VAL A 148 10.349 4.864 -7.624 1.00 0.00 C ATOM 1775 O VAL A 148 10.117 5.926 -7.048 1.00 0.00 O ATOM 1776 CB VAL A 148 8.206 3.846 -8.398 1.00 0.00 C ATOM 1777 CG1 VAL A 148 7.405 2.554 -8.485 1.00 0.00 C ATOM 1778 CG2 VAL A 148 7.329 4.995 -7.922 1.00 0.00 C ATOM 0 H VAL A 148 8.064 3.873 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 148 9.948 2.757 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 148 8.572 4.088 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 148 6.554 2.698 -9.150 1.00 0.00 H new ATOM 0 HG12 VAL A 148 8.040 1.758 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 148 7.047 2.280 -7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 148 6.479 5.107 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 148 6.969 4.785 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 148 7.910 5.917 -7.915 1.00 0.00 H new