USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 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 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.92 X(o=-0.92,f=-1.1) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0599) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 86:sc= 0.643 USER MOD Single : A 117 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00202) USER MOD Single : A 127 GLN :FLIP amide:sc= -1.33! F(o=-2.1,f=-1.3!) USER MOD Single : A 128 MET CE :methyl -146:sc= -0.165 (180deg=-0.335) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.27) USER MOD Single : A 137 ASN : amide:sc= -0.764 K(o=-0.76,f=-1.5) USER MOD Single : A 140 GLN :FLIP amide:sc= -0.766 F(o=-1.9!,f=-0.77) USER MOD Single : A 144 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 35:sc= 0.279 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 TYR OH : rot 180:sc= -3.08! USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 105 8.332 10.145 -6.433 1.00 0.00 N ATOM 67 CA PHE A 105 7.580 8.897 -6.367 1.00 0.00 C ATOM 68 C PHE A 105 7.112 8.619 -4.942 1.00 0.00 C ATOM 69 O PHE A 105 6.034 8.062 -4.728 1.00 0.00 O ATOM 70 CB PHE A 105 8.438 7.733 -6.870 1.00 0.00 C ATOM 71 CG PHE A 105 7.936 6.387 -6.434 1.00 0.00 C ATOM 72 CD1 PHE A 105 8.279 5.872 -5.194 1.00 0.00 C ATOM 73 CD2 PHE A 105 7.121 5.634 -7.265 1.00 0.00 C ATOM 74 CE1 PHE A 105 7.819 4.634 -4.790 1.00 0.00 C ATOM 75 CE2 PHE A 105 6.657 4.395 -6.866 1.00 0.00 C ATOM 76 CZ PHE A 105 7.007 3.894 -5.627 1.00 0.00 C ATOM 0 HA PHE A 105 6.703 8.996 -7.006 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.475 7.763 -7.959 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.459 7.864 -6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.914 6.446 -4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.846 6.020 -8.235 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.094 4.245 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.021 3.819 -7.522 1.00 0.00 H new ATOM 0 HZ PHE A 105 6.646 2.925 -5.314 1.00 0.00 H new ATOM 86 N LEU A 106 7.928 9.011 -3.970 1.00 0.00 N ATOM 87 CA LEU A 106 7.599 8.804 -2.564 1.00 0.00 C ATOM 88 C LEU A 106 6.430 9.689 -2.143 1.00 0.00 C ATOM 89 O LEU A 106 5.487 9.227 -1.500 1.00 0.00 O ATOM 90 CB LEU A 106 8.817 9.097 -1.686 1.00 0.00 C ATOM 91 CG LEU A 106 10.102 8.353 -2.052 1.00 0.00 C ATOM 92 CD1 LEU A 106 11.322 9.140 -1.599 1.00 0.00 C ATOM 93 CD2 LEU A 106 10.105 6.961 -1.437 1.00 0.00 C ATOM 0 H LEU A 106 8.823 9.474 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 106 7.308 7.762 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.018 10.168 -1.723 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.563 8.856 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 106 10.144 8.250 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.227 8.595 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.327 10.115 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.287 9.275 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.027 6.446 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.040 7.042 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.251 6.396 -1.810 1.00 0.00 H new ATOM 105 N THR A 107 6.497 10.964 -2.512 1.00 0.00 N ATOM 106 CA THR A 107 5.444 11.914 -2.174 1.00 0.00 C ATOM 107 C THR A 107 4.137 11.559 -2.874 1.00 0.00 C ATOM 108 O THR A 107 3.073 11.555 -2.256 1.00 0.00 O ATOM 109 CB THR A 107 5.842 13.353 -2.554 1.00 0.00 C ATOM 110 OG1 THR A 107 7.099 13.687 -1.956 1.00 0.00 O ATOM 111 CG2 THR A 107 4.780 14.345 -2.104 1.00 0.00 C ATOM 0 H THR A 107 7.270 11.363 -3.045 1.00 0.00 H new ATOM 0 HA THR A 107 5.302 11.857 -1.095 1.00 0.00 H new ATOM 0 HB THR A 107 5.931 13.408 -3.639 1.00 0.00 H new ATOM 0 HG1 THR A 107 7.346 14.602 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.083 15.354 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.831 14.105 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.664 14.288 -1.022 1.00 0.00 H new ATOM 119 N GLU A 108 4.226 11.259 -4.166 1.00 0.00 N ATOM 120 CA GLU A 108 3.049 10.903 -4.950 1.00 0.00 C ATOM 121 C GLU A 108 2.478 9.562 -4.494 1.00 0.00 C ATOM 122 O GLU A 108 1.263 9.364 -4.483 1.00 0.00 O ATOM 123 CB GLU A 108 3.398 10.842 -6.438 1.00 0.00 C ATOM 124 CG GLU A 108 3.242 12.172 -7.155 1.00 0.00 C ATOM 125 CD GLU A 108 1.794 12.603 -7.277 1.00 0.00 C ATOM 126 OE1 GLU A 108 1.012 11.877 -7.926 1.00 0.00 O ATOM 127 OE2 GLU A 108 1.442 13.666 -6.725 1.00 0.00 O ATOM 0 H GLU A 108 5.100 11.255 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 108 2.293 11.673 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.427 10.498 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.761 10.101 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.801 12.938 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.680 12.097 -8.150 1.00 0.00 H new ATOM 134 N PHE A 109 3.364 8.645 -4.120 1.00 0.00 N ATOM 135 CA PHE A 109 2.950 7.323 -3.666 1.00 0.00 C ATOM 136 C PHE A 109 2.147 7.419 -2.372 1.00 0.00 C ATOM 137 O PHE A 109 1.151 6.718 -2.194 1.00 0.00 O ATOM 138 CB PHE A 109 4.173 6.427 -3.455 1.00 0.00 C ATOM 139 CG PHE A 109 3.880 5.194 -2.649 1.00 0.00 C ATOM 140 CD1 PHE A 109 2.763 4.421 -2.922 1.00 0.00 C ATOM 141 CD2 PHE A 109 4.722 4.808 -1.619 1.00 0.00 C ATOM 142 CE1 PHE A 109 2.492 3.286 -2.181 1.00 0.00 C ATOM 143 CE2 PHE A 109 4.456 3.674 -0.874 1.00 0.00 C ATOM 144 CZ PHE A 109 3.340 2.912 -1.157 1.00 0.00 C ATOM 0 H PHE A 109 4.373 8.793 -4.122 1.00 0.00 H new ATOM 0 HA PHE A 109 2.315 6.884 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 109 4.569 6.131 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 109 4.953 7.002 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.097 4.708 -3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.597 5.400 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 109 1.618 2.692 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.120 3.385 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.130 2.025 -0.578 1.00 0.00 H new ATOM 154 N ILE A 110 2.588 8.292 -1.473 1.00 0.00 N ATOM 155 CA ILE A 110 1.911 8.481 -0.196 1.00 0.00 C ATOM 156 C ILE A 110 0.544 9.128 -0.389 1.00 0.00 C ATOM 157 O ILE A 110 -0.446 8.699 0.202 1.00 0.00 O ATOM 158 CB ILE A 110 2.747 9.350 0.762 1.00 0.00 C ATOM 159 CG1 ILE A 110 4.061 8.647 1.109 1.00 0.00 C ATOM 160 CG2 ILE A 110 1.955 9.658 2.024 1.00 0.00 C ATOM 161 CD1 ILE A 110 5.099 9.569 1.709 1.00 0.00 C ATOM 0 H ILE A 110 3.411 8.880 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 110 1.783 7.491 0.243 1.00 0.00 H new ATOM 0 HB ILE A 110 2.981 10.291 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.857 7.838 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.469 8.192 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.559 10.273 2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.044 10.196 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.694 8.726 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.004 9.003 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 110 5.332 10.364 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 110 4.710 10.005 2.629 1.00 0.00 H new ATOM 173 N ASN A 111 0.497 10.162 -1.223 1.00 0.00 N ATOM 174 CA ASN A 111 -0.750 10.868 -1.496 1.00 0.00 C ATOM 175 C ASN A 111 -1.794 9.921 -2.080 1.00 0.00 C ATOM 176 O ASN A 111 -2.987 10.051 -1.805 1.00 0.00 O ATOM 177 CB ASN A 111 -0.501 12.029 -2.461 1.00 0.00 C ATOM 178 CG ASN A 111 0.554 12.991 -1.949 1.00 0.00 C ATOM 179 OD1 ASN A 111 0.774 13.103 -0.743 1.00 0.00 O ATOM 180 ND2 ASN A 111 1.212 13.690 -2.866 1.00 0.00 N ATOM 0 H ASN A 111 1.308 10.530 -1.721 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.130 11.262 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.190 11.634 -3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.434 12.570 -2.623 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.933 14.353 -2.582 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.996 13.564 -3.855 1.00 0.00 H new ATOM 187 N TYR A 112 -1.337 8.970 -2.886 1.00 0.00 N ATOM 188 CA TYR A 112 -2.231 8.002 -3.510 1.00 0.00 C ATOM 189 C TYR A 112 -2.867 7.093 -2.463 1.00 0.00 C ATOM 190 O TYR A 112 -4.039 6.731 -2.569 1.00 0.00 O ATOM 191 CB TYR A 112 -1.471 7.162 -4.538 1.00 0.00 C ATOM 192 CG TYR A 112 -2.364 6.275 -5.375 1.00 0.00 C ATOM 193 CD1 TYR A 112 -3.383 6.815 -6.150 1.00 0.00 C ATOM 194 CD2 TYR A 112 -2.188 4.897 -5.392 1.00 0.00 C ATOM 195 CE1 TYR A 112 -4.202 6.008 -6.916 1.00 0.00 C ATOM 196 CE2 TYR A 112 -3.002 4.082 -6.156 1.00 0.00 C ATOM 197 CZ TYR A 112 -4.007 4.643 -6.916 1.00 0.00 C ATOM 198 OH TYR A 112 -4.820 3.835 -7.679 1.00 0.00 O ATOM 0 H TYR A 112 -0.352 8.848 -3.123 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.024 8.552 -4.016 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -0.913 7.827 -5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.740 6.541 -4.019 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.537 7.884 -6.154 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.402 4.455 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.991 6.444 -7.511 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.852 3.012 -6.158 1.00 0.00 H new ATOM 0 HH TYR A 112 -4.549 2.900 -7.568 1.00 0.00 H new ATOM 208 N ILE A 113 -2.084 6.728 -1.453 1.00 0.00 N ATOM 209 CA ILE A 113 -2.570 5.862 -0.386 1.00 0.00 C ATOM 210 C ILE A 113 -3.659 6.552 0.429 1.00 0.00 C ATOM 211 O ILE A 113 -4.689 5.954 0.742 1.00 0.00 O ATOM 212 CB ILE A 113 -1.429 5.439 0.558 1.00 0.00 C ATOM 213 CG1 ILE A 113 -0.325 4.728 -0.227 1.00 0.00 C ATOM 214 CG2 ILE A 113 -1.962 4.540 1.664 1.00 0.00 C ATOM 215 CD1 ILE A 113 1.003 4.691 0.495 1.00 0.00 C ATOM 0 H ILE A 113 -1.111 7.018 -1.351 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.984 4.974 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.006 6.333 1.015 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.642 3.707 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.194 5.228 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.144 4.249 2.323 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -2.717 5.078 2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -2.408 3.648 1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.738 4.172 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.343 5.709 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.887 4.165 1.443 1.00 0.00 H new ATOM 227 N LYS A 114 -3.425 7.815 0.769 1.00 0.00 N ATOM 228 CA LYS A 114 -4.387 8.590 1.545 1.00 0.00 C ATOM 229 C LYS A 114 -5.752 8.598 0.866 1.00 0.00 C ATOM 230 O LYS A 114 -6.773 8.320 1.496 1.00 0.00 O ATOM 231 CB LYS A 114 -3.887 10.025 1.728 1.00 0.00 C ATOM 232 CG LYS A 114 -3.036 10.218 2.970 1.00 0.00 C ATOM 233 CD LYS A 114 -1.574 9.905 2.699 1.00 0.00 C ATOM 234 CE LYS A 114 -0.699 10.248 3.895 1.00 0.00 C ATOM 235 NZ LYS A 114 -0.546 11.719 4.067 1.00 0.00 N ATOM 0 H LYS A 114 -2.577 8.324 0.519 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.491 8.121 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.307 10.313 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.744 10.696 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.130 11.246 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.405 9.574 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.466 8.847 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.236 10.466 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.134 9.820 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.283 9.793 3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.186 11.911 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -0.268 12.147 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.450 12.128 4.380 1.00 0.00 H new ATOM 249 N LYS A 115 -5.765 8.918 -0.424 1.00 0.00 N ATOM 250 CA LYS A 115 -7.005 8.960 -1.190 1.00 0.00 C ATOM 251 C LYS A 115 -7.572 7.557 -1.386 1.00 0.00 C ATOM 252 O LYS A 115 -8.778 7.342 -1.267 1.00 0.00 O ATOM 253 CB LYS A 115 -6.766 9.619 -2.550 1.00 0.00 C ATOM 254 CG LYS A 115 -6.474 11.107 -2.462 1.00 0.00 C ATOM 255 CD LYS A 115 -6.663 11.793 -3.805 1.00 0.00 C ATOM 256 CE LYS A 115 -5.817 13.052 -3.912 1.00 0.00 C ATOM 257 NZ LYS A 115 -6.253 14.097 -2.944 1.00 0.00 N ATOM 0 H LYS A 115 -4.930 9.152 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 115 -7.729 9.550 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.931 9.122 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.644 9.466 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.132 11.565 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.452 11.258 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.396 11.105 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.714 12.047 -3.940 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.771 12.803 -3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.880 13.447 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.652 14.939 -3.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.243 14.353 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.169 13.729 -1.975 1.00 0.00 H new ATOM 271 N SER A 116 -6.693 6.605 -1.685 1.00 0.00 N ATOM 272 CA SER A 116 -7.107 5.223 -1.899 1.00 0.00 C ATOM 273 C SER A 116 -7.555 4.581 -0.590 1.00 0.00 C ATOM 274 O SER A 116 -6.763 4.421 0.340 1.00 0.00 O ATOM 275 CB SER A 116 -5.961 4.415 -2.511 1.00 0.00 C ATOM 276 OG SER A 116 -5.680 4.848 -3.831 1.00 0.00 O ATOM 0 H SER A 116 -5.691 6.765 -1.784 1.00 0.00 H new ATOM 0 HA SER A 116 -7.951 5.225 -2.589 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.069 4.518 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.222 3.357 -2.520 1.00 0.00 H new ATOM 0 HG SER A 116 -5.054 5.601 -3.802 1.00 0.00 H new ATOM 282 N LYS A 117 -8.830 4.215 -0.524 1.00 0.00 N ATOM 283 CA LYS A 117 -9.386 3.589 0.670 1.00 0.00 C ATOM 284 C LYS A 117 -8.717 2.245 0.942 1.00 0.00 C ATOM 285 O LYS A 117 -8.191 2.011 2.030 1.00 0.00 O ATOM 286 CB LYS A 117 -10.896 3.396 0.514 1.00 0.00 C ATOM 287 CG LYS A 117 -11.532 2.620 1.654 1.00 0.00 C ATOM 288 CD LYS A 117 -11.915 3.535 2.805 1.00 0.00 C ATOM 289 CE LYS A 117 -12.917 2.869 3.736 1.00 0.00 C ATOM 290 NZ LYS A 117 -12.336 1.677 4.414 1.00 0.00 N ATOM 0 H LYS A 117 -9.499 4.341 -1.284 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.195 4.248 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -11.373 4.373 0.441 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.092 2.875 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -12.418 2.099 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.838 1.858 2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.022 3.809 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -12.340 4.458 2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -13.249 3.587 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.798 2.570 3.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.044 1.261 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.057 0.973 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.500 1.963 4.963 1.00 0.00 H new ATOM 304 N VAL A 118 -8.739 1.366 -0.055 1.00 0.00 N ATOM 305 CA VAL A 118 -8.131 0.047 0.076 1.00 0.00 C ATOM 306 C VAL A 118 -7.056 -0.170 -0.982 1.00 0.00 C ATOM 307 O VAL A 118 -7.338 -0.163 -2.181 1.00 0.00 O ATOM 308 CB VAL A 118 -9.185 -1.070 -0.043 1.00 0.00 C ATOM 309 CG1 VAL A 118 -8.526 -2.438 0.045 1.00 0.00 C ATOM 310 CG2 VAL A 118 -10.250 -0.913 1.032 1.00 0.00 C ATOM 0 H VAL A 118 -9.171 1.543 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 118 -7.676 0.005 1.066 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.668 -0.988 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.286 -3.214 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.803 -2.547 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.015 -2.535 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.987 -1.710 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -9.785 -0.969 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -10.743 0.053 0.918 1.00 0.00 H new ATOM 320 N VAL A 119 -5.820 -0.364 -0.531 1.00 0.00 N ATOM 321 CA VAL A 119 -4.701 -0.585 -1.439 1.00 0.00 C ATOM 322 C VAL A 119 -4.032 -1.928 -1.170 1.00 0.00 C ATOM 323 O VAL A 119 -3.635 -2.221 -0.041 1.00 0.00 O ATOM 324 CB VAL A 119 -3.649 0.534 -1.316 1.00 0.00 C ATOM 325 CG1 VAL A 119 -2.493 0.287 -2.273 1.00 0.00 C ATOM 326 CG2 VAL A 119 -4.284 1.892 -1.573 1.00 0.00 C ATOM 0 H VAL A 119 -5.569 -0.372 0.458 1.00 0.00 H new ATOM 0 HA VAL A 119 -5.108 -0.581 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.255 0.529 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.760 1.087 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.023 -0.668 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -2.867 0.264 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.527 2.671 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.706 1.912 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -5.075 2.068 -0.844 1.00 0.00 H new ATOM 336 N LEU A 120 -3.909 -2.741 -2.213 1.00 0.00 N ATOM 337 CA LEU A 120 -3.287 -4.055 -2.089 1.00 0.00 C ATOM 338 C LEU A 120 -1.831 -4.012 -2.540 1.00 0.00 C ATOM 339 O LEU A 120 -1.482 -3.301 -3.483 1.00 0.00 O ATOM 340 CB LEU A 120 -4.058 -5.086 -2.916 1.00 0.00 C ATOM 341 CG LEU A 120 -3.907 -6.544 -2.481 1.00 0.00 C ATOM 342 CD1 LEU A 120 -4.817 -6.846 -1.300 1.00 0.00 C ATOM 343 CD2 LEU A 120 -4.208 -7.481 -3.641 1.00 0.00 C ATOM 0 H LEU A 120 -4.231 -2.514 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.315 -4.346 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -5.116 -4.827 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -3.737 -5.002 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.875 -6.704 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.696 -7.888 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.554 -6.199 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -5.854 -6.668 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.095 -8.514 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.230 -7.319 -3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.515 -7.282 -4.458 1.00 0.00 H new ATOM 355 N LEU A 121 -0.984 -4.779 -1.861 1.00 0.00 N ATOM 356 CA LEU A 121 0.435 -4.831 -2.193 1.00 0.00 C ATOM 357 C LEU A 121 0.650 -5.442 -3.574 1.00 0.00 C ATOM 358 O LEU A 121 1.470 -4.961 -4.355 1.00 0.00 O ATOM 359 CB LEU A 121 1.196 -5.640 -1.141 1.00 0.00 C ATOM 360 CG LEU A 121 0.914 -5.277 0.318 1.00 0.00 C ATOM 361 CD1 LEU A 121 1.379 -6.390 1.244 1.00 0.00 C ATOM 362 CD2 LEU A 121 1.590 -3.962 0.680 1.00 0.00 C ATOM 0 H LEU A 121 -1.256 -5.373 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 121 0.817 -3.810 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 121 0.962 -6.695 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 121 2.264 -5.523 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 121 -0.162 -5.156 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 121 1.170 -6.114 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 121 0.850 -7.311 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.451 -6.544 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 121 1.379 -3.719 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.667 -4.056 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.209 -3.168 0.038 1.00 0.00 H new ATOM 374 N GLU A 122 -0.094 -6.504 -3.868 1.00 0.00 N ATOM 375 CA GLU A 122 0.015 -7.179 -5.156 1.00 0.00 C ATOM 376 C GLU A 122 -0.435 -6.263 -6.290 1.00 0.00 C ATOM 377 O GLU A 122 0.202 -6.202 -7.343 1.00 0.00 O ATOM 378 CB GLU A 122 -0.823 -8.459 -5.158 1.00 0.00 C ATOM 379 CG GLU A 122 -0.132 -9.640 -4.496 1.00 0.00 C ATOM 380 CD GLU A 122 -1.049 -10.836 -4.333 1.00 0.00 C ATOM 381 OE1 GLU A 122 -1.508 -11.377 -5.361 1.00 0.00 O ATOM 382 OE2 GLU A 122 -1.307 -11.233 -3.177 1.00 0.00 O ATOM 0 H GLU A 122 -0.778 -6.915 -3.232 1.00 0.00 H new ATOM 0 HA GLU A 122 1.062 -7.438 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -1.766 -8.267 -4.646 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.067 -8.722 -6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.734 -9.929 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.240 -9.336 -3.518 1.00 0.00 H new ATOM 389 N ASP A 123 -1.535 -5.552 -6.068 1.00 0.00 N ATOM 390 CA ASP A 123 -2.070 -4.638 -7.071 1.00 0.00 C ATOM 391 C ASP A 123 -1.210 -3.383 -7.176 1.00 0.00 C ATOM 392 O ASP A 123 -1.043 -2.821 -8.260 1.00 0.00 O ATOM 393 CB ASP A 123 -3.511 -4.257 -6.727 1.00 0.00 C ATOM 394 CG ASP A 123 -4.091 -3.250 -7.701 1.00 0.00 C ATOM 395 OD1 ASP A 123 -3.969 -3.470 -8.924 1.00 0.00 O ATOM 396 OD2 ASP A 123 -4.667 -2.242 -7.240 1.00 0.00 O ATOM 0 H ASP A 123 -2.074 -5.591 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.057 -5.147 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.130 -5.154 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.544 -3.844 -5.719 1.00 0.00 H new ATOM 401 N LEU A 124 -0.667 -2.947 -6.045 1.00 0.00 N ATOM 402 CA LEU A 124 0.176 -1.757 -6.009 1.00 0.00 C ATOM 403 C LEU A 124 1.354 -1.895 -6.967 1.00 0.00 C ATOM 404 O LEU A 124 1.653 -0.982 -7.736 1.00 0.00 O ATOM 405 CB LEU A 124 0.685 -1.511 -4.588 1.00 0.00 C ATOM 406 CG LEU A 124 1.415 -0.188 -4.356 1.00 0.00 C ATOM 407 CD1 LEU A 124 0.479 0.987 -4.592 1.00 0.00 C ATOM 408 CD2 LEU A 124 1.993 -0.137 -2.949 1.00 0.00 C ATOM 0 H LEU A 124 -0.795 -3.400 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.427 -0.905 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.164 -1.559 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 124 1.357 -2.326 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 124 2.237 -0.120 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.016 1.920 -4.422 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.113 0.961 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.365 0.924 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 124 2.509 0.812 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.187 -0.228 -2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.698 -0.958 -2.815 1.00 0.00 H new ATOM 420 N ALA A 125 2.019 -3.045 -6.917 1.00 0.00 N ATOM 421 CA ALA A 125 3.162 -3.305 -7.784 1.00 0.00 C ATOM 422 C ALA A 125 2.741 -3.352 -9.248 1.00 0.00 C ATOM 423 O ALA A 125 3.482 -2.922 -10.132 1.00 0.00 O ATOM 424 CB ALA A 125 3.841 -4.607 -7.385 1.00 0.00 C ATOM 0 H ALA A 125 1.786 -3.811 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 125 3.872 -2.486 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 125 4.693 -4.789 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 125 4.186 -4.536 -6.353 1.00 0.00 H new ATOM 0 HB3 ALA A 125 3.132 -5.430 -7.475 1.00 0.00 H new ATOM 430 N PHE A 126 1.547 -3.879 -9.499 1.00 0.00 N ATOM 431 CA PHE A 126 1.028 -3.985 -10.858 1.00 0.00 C ATOM 432 C PHE A 126 0.747 -2.603 -11.442 1.00 0.00 C ATOM 433 O PHE A 126 1.171 -2.291 -12.554 1.00 0.00 O ATOM 434 CB PHE A 126 -0.249 -4.827 -10.875 1.00 0.00 C ATOM 435 CG PHE A 126 -1.054 -4.670 -12.133 1.00 0.00 C ATOM 436 CD1 PHE A 126 -0.599 -5.192 -13.333 1.00 0.00 C ATOM 437 CD2 PHE A 126 -2.267 -3.999 -12.115 1.00 0.00 C ATOM 438 CE1 PHE A 126 -1.338 -5.049 -14.492 1.00 0.00 C ATOM 439 CE2 PHE A 126 -3.010 -3.853 -13.271 1.00 0.00 C ATOM 440 CZ PHE A 126 -2.545 -4.378 -14.461 1.00 0.00 C ATOM 0 H PHE A 126 0.921 -4.239 -8.779 1.00 0.00 H new ATOM 0 HA PHE A 126 1.785 -4.473 -11.472 1.00 0.00 H new ATOM 0 HB2 PHE A 126 0.016 -5.877 -10.752 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.867 -4.552 -10.021 1.00 0.00 H new ATOM 0 HD1 PHE A 126 0.344 -5.717 -13.363 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -2.635 -3.586 -11.188 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -0.972 -5.461 -15.421 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -3.954 -3.329 -13.244 1.00 0.00 H new ATOM 0 HZ PHE A 126 -3.124 -4.264 -15.366 1.00 0.00 H new ATOM 450 N GLN A 127 0.030 -1.781 -10.682 1.00 0.00 N ATOM 451 CA GLN A 127 -0.309 -0.434 -11.125 1.00 0.00 C ATOM 452 C GLN A 127 0.945 0.422 -11.273 1.00 0.00 C ATOM 453 O GLN A 127 1.089 1.166 -12.243 1.00 0.00 O ATOM 454 CB GLN A 127 -1.274 0.222 -10.136 1.00 0.00 C ATOM 455 CG GLN A 127 -0.702 0.373 -8.736 1.00 0.00 C ATOM 456 CD GLN A 127 -1.595 1.193 -7.825 1.00 0.00 C ATOM 457 OE1 GLN A 127 -2.388 0.513 -7.005 1.00 0.00 O flip ATOM 458 NE2 GLN A 127 -1.573 2.423 -7.858 1.00 0.00 N flip ATOM 0 H GLN A 127 -0.327 -2.024 -9.758 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.793 -0.509 -12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.554 1.206 -10.513 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -2.187 -0.371 -10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.554 -0.615 -8.300 1.00 0.00 H new ATOM 0 HG3 GLN A 127 0.279 0.845 -8.797 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -0.948 2.905 -8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -2.180 2.961 -7.239 1.00 0.00 H new ATOM 467 N MET A 128 1.849 0.311 -10.306 1.00 0.00 N ATOM 468 CA MET A 128 3.091 1.074 -10.330 1.00 0.00 C ATOM 469 C MET A 128 4.164 0.341 -11.128 1.00 0.00 C ATOM 470 O MET A 128 5.251 0.870 -11.358 1.00 0.00 O ATOM 471 CB MET A 128 3.585 1.331 -8.905 1.00 0.00 C ATOM 472 CG MET A 128 2.702 2.286 -8.119 1.00 0.00 C ATOM 473 SD MET A 128 3.551 3.009 -6.701 1.00 0.00 S ATOM 474 CE MET A 128 2.836 4.652 -6.681 1.00 0.00 C ATOM 0 H MET A 128 1.745 -0.300 -9.496 1.00 0.00 H new ATOM 0 HA MET A 128 2.891 2.029 -10.815 1.00 0.00 H new ATOM 0 HB2 MET A 128 3.643 0.382 -8.373 1.00 0.00 H new ATOM 0 HB3 MET A 128 4.596 1.735 -8.947 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.359 3.084 -8.778 1.00 0.00 H new ATOM 0 HG3 MET A 128 1.815 1.754 -7.774 1.00 0.00 H new ATOM 0 HE1 MET A 128 3.583 5.370 -6.343 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.506 4.917 -7.685 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.983 4.669 -6.002 1.00 0.00 H new ATOM 484 N GLY A 129 3.852 -0.881 -11.548 1.00 0.00 N ATOM 485 CA GLY A 129 4.800 -1.667 -12.316 1.00 0.00 C ATOM 486 C GLY A 129 5.840 -2.338 -11.440 1.00 0.00 C ATOM 487 O GLY A 129 6.214 -3.488 -11.677 1.00 0.00 O ATOM 0 H GLY A 129 2.959 -1.341 -11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.262 -2.427 -12.883 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.300 -1.023 -13.040 1.00 0.00 H new ATOM 491 N LEU A 130 6.310 -1.620 -10.426 1.00 0.00 N ATOM 492 CA LEU A 130 7.315 -2.152 -9.512 1.00 0.00 C ATOM 493 C LEU A 130 6.952 -3.565 -9.067 1.00 0.00 C ATOM 494 O LEU A 130 5.856 -4.051 -9.344 1.00 0.00 O ATOM 495 CB LEU A 130 7.456 -1.241 -8.291 1.00 0.00 C ATOM 496 CG LEU A 130 7.687 0.242 -8.584 1.00 0.00 C ATOM 497 CD1 LEU A 130 7.551 1.065 -7.312 1.00 0.00 C ATOM 498 CD2 LEU A 130 9.056 0.454 -9.214 1.00 0.00 C ATOM 0 H LEU A 130 6.011 -0.668 -10.216 1.00 0.00 H new ATOM 0 HA LEU A 130 8.267 -2.190 -10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.554 -1.335 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.286 -1.605 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 130 6.928 0.575 -9.291 1.00 0.00 H new ATOM 0 HD11 LEU A 130 7.719 2.118 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 130 6.549 0.938 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 130 8.288 0.730 -6.582 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.203 1.515 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 130 9.829 0.104 -8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 130 9.117 -0.105 -10.148 1.00 0.00 H new ATOM 510 N ARG A 131 7.880 -4.218 -8.375 1.00 0.00 N ATOM 511 CA ARG A 131 7.658 -5.575 -7.890 1.00 0.00 C ATOM 512 C ARG A 131 6.954 -5.560 -6.536 1.00 0.00 C ATOM 513 O ARG A 131 7.036 -4.582 -5.792 1.00 0.00 O ATOM 514 CB ARG A 131 8.987 -6.323 -7.778 1.00 0.00 C ATOM 515 CG ARG A 131 9.755 -6.399 -9.088 1.00 0.00 C ATOM 516 CD ARG A 131 9.084 -7.342 -10.074 1.00 0.00 C ATOM 517 NE ARG A 131 9.439 -8.737 -9.826 1.00 0.00 N ATOM 518 CZ ARG A 131 8.920 -9.759 -10.498 1.00 0.00 C ATOM 519 NH1 ARG A 131 8.028 -9.542 -11.454 1.00 0.00 N ATOM 520 NH2 ARG A 131 9.294 -11.000 -10.214 1.00 0.00 N ATOM 0 H ARG A 131 8.793 -3.829 -8.138 1.00 0.00 H new ATOM 0 HA ARG A 131 7.019 -6.090 -8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 131 9.609 -5.832 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 131 8.796 -7.334 -7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 131 9.827 -5.404 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 131 10.773 -6.737 -8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 131 8.002 -7.226 -10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 131 9.372 -7.070 -11.089 1.00 0.00 H new ATOM 0 HE ARG A 131 10.123 -8.938 -9.097 1.00 0.00 H new ATOM 0 HH11 ARG A 131 7.739 -8.589 -11.675 1.00 0.00 H new ATOM 0 HH12 ARG A 131 7.631 -10.328 -11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 131 9.981 -11.170 -9.479 1.00 0.00 H new ATOM 0 HH22 ARG A 131 8.895 -11.784 -10.731 1.00 0.00 H new ATOM 534 N THR A 132 6.263 -6.652 -6.223 1.00 0.00 N ATOM 535 CA THR A 132 5.544 -6.764 -4.960 1.00 0.00 C ATOM 536 C THR A 132 6.476 -6.539 -3.775 1.00 0.00 C ATOM 537 O THR A 132 6.168 -5.762 -2.871 1.00 0.00 O ATOM 538 CB THR A 132 4.873 -8.143 -4.816 1.00 0.00 C ATOM 539 OG1 THR A 132 3.907 -8.329 -5.857 1.00 0.00 O ATOM 540 CG2 THR A 132 4.196 -8.277 -3.460 1.00 0.00 C ATOM 0 H THR A 132 6.186 -7.471 -6.826 1.00 0.00 H new ATOM 0 HA THR A 132 4.774 -5.992 -4.965 1.00 0.00 H new ATOM 0 HB THR A 132 5.645 -8.908 -4.896 1.00 0.00 H new ATOM 0 HG1 THR A 132 3.486 -9.209 -5.759 1.00 0.00 H new ATOM 0 HG21 THR A 132 3.729 -9.259 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 132 4.938 -8.164 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 132 3.435 -7.504 -3.355 1.00 0.00 H new ATOM 548 N GLN A 133 7.615 -7.224 -3.785 1.00 0.00 N ATOM 549 CA GLN A 133 8.591 -7.098 -2.710 1.00 0.00 C ATOM 550 C GLN A 133 9.078 -5.658 -2.582 1.00 0.00 C ATOM 551 O GLN A 133 9.196 -5.128 -1.478 1.00 0.00 O ATOM 552 CB GLN A 133 9.779 -8.029 -2.959 1.00 0.00 C ATOM 553 CG GLN A 133 10.539 -8.397 -1.695 1.00 0.00 C ATOM 554 CD GLN A 133 9.673 -9.119 -0.682 1.00 0.00 C ATOM 555 OE1 GLN A 133 9.342 -10.292 -0.855 1.00 0.00 O ATOM 556 NE2 GLN A 133 9.300 -8.420 0.384 1.00 0.00 N ATOM 0 H GLN A 133 7.884 -7.872 -4.526 1.00 0.00 H new ATOM 0 HA GLN A 133 8.104 -7.382 -1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 133 9.421 -8.941 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 133 10.464 -7.551 -3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 133 11.388 -9.028 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 133 10.943 -7.492 -1.242 1.00 0.00 H new ATOM 0 HE21 GLN A 133 9.597 -7.450 0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 133 8.716 -8.853 1.099 1.00 0.00 H new ATOM 565 N ASP A 134 9.359 -5.031 -3.719 1.00 0.00 N ATOM 566 CA ASP A 134 9.832 -3.651 -3.735 1.00 0.00 C ATOM 567 C ASP A 134 8.790 -2.713 -3.135 1.00 0.00 C ATOM 568 O ASP A 134 9.109 -1.869 -2.298 1.00 0.00 O ATOM 569 CB ASP A 134 10.163 -3.220 -5.165 1.00 0.00 C ATOM 570 CG ASP A 134 11.485 -3.782 -5.648 1.00 0.00 C ATOM 571 OD1 ASP A 134 11.511 -4.957 -6.073 1.00 0.00 O ATOM 572 OD2 ASP A 134 12.494 -3.048 -5.602 1.00 0.00 O ATOM 0 H ASP A 134 9.268 -5.456 -4.642 1.00 0.00 H new ATOM 0 HA ASP A 134 10.736 -3.595 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 134 9.367 -3.547 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.194 -2.132 -5.215 1.00 0.00 H new ATOM 577 N ALA A 135 7.544 -2.865 -3.570 1.00 0.00 N ATOM 578 CA ALA A 135 6.455 -2.031 -3.076 1.00 0.00 C ATOM 579 C ALA A 135 6.260 -2.217 -1.575 1.00 0.00 C ATOM 580 O ALA A 135 6.109 -1.244 -0.834 1.00 0.00 O ATOM 581 CB ALA A 135 5.167 -2.349 -3.820 1.00 0.00 C ATOM 0 H ALA A 135 7.263 -3.558 -4.264 1.00 0.00 H new ATOM 0 HA ALA A 135 6.718 -0.989 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 135 4.363 -1.719 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 135 5.305 -2.159 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 135 4.909 -3.397 -3.669 1.00 0.00 H new ATOM 587 N ILE A 136 6.263 -3.470 -1.133 1.00 0.00 N ATOM 588 CA ILE A 136 6.087 -3.781 0.281 1.00 0.00 C ATOM 589 C ILE A 136 7.200 -3.165 1.122 1.00 0.00 C ATOM 590 O ILE A 136 6.948 -2.601 2.186 1.00 0.00 O ATOM 591 CB ILE A 136 6.058 -5.302 0.522 1.00 0.00 C ATOM 592 CG1 ILE A 136 4.875 -5.934 -0.214 1.00 0.00 C ATOM 593 CG2 ILE A 136 5.982 -5.600 2.012 1.00 0.00 C ATOM 594 CD1 ILE A 136 5.019 -7.426 -0.419 1.00 0.00 C ATOM 0 H ILE A 136 6.385 -4.286 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 136 5.130 -3.355 0.582 1.00 0.00 H new ATOM 0 HB ILE A 136 6.979 -5.735 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 136 3.962 -5.739 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 136 4.761 -5.451 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 136 5.962 -6.679 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.853 -5.178 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.076 -5.157 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 136 4.145 -7.807 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 136 5.914 -7.628 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.102 -7.920 0.549 1.00 0.00 H new ATOM 606 N ASN A 137 8.432 -3.276 0.636 1.00 0.00 N ATOM 607 CA ASN A 137 9.585 -2.729 1.343 1.00 0.00 C ATOM 608 C ASN A 137 9.404 -1.237 1.605 1.00 0.00 C ATOM 609 O ASN A 137 9.733 -0.741 2.683 1.00 0.00 O ATOM 610 CB ASN A 137 10.863 -2.965 0.537 1.00 0.00 C ATOM 611 CG ASN A 137 11.219 -4.436 0.435 1.00 0.00 C ATOM 612 OD1 ASN A 137 10.926 -5.221 1.337 1.00 0.00 O ATOM 613 ND2 ASN A 137 11.856 -4.815 -0.667 1.00 0.00 N ATOM 0 H ASN A 137 8.658 -3.739 -0.244 1.00 0.00 H new ATOM 0 HA ASN A 137 9.669 -3.241 2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.739 -2.554 -0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.688 -2.426 1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.123 -5.792 -0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 137 12.078 -4.129 -1.389 1.00 0.00 H new ATOM 620 N ARG A 138 8.878 -0.527 0.612 1.00 0.00 N ATOM 621 CA ARG A 138 8.653 0.909 0.735 1.00 0.00 C ATOM 622 C ARG A 138 7.563 1.203 1.762 1.00 0.00 C ATOM 623 O ARG A 138 7.681 2.136 2.556 1.00 0.00 O ATOM 624 CB ARG A 138 8.267 1.504 -0.620 1.00 0.00 C ATOM 625 CG ARG A 138 9.406 1.519 -1.626 1.00 0.00 C ATOM 626 CD ARG A 138 10.348 2.688 -1.382 1.00 0.00 C ATOM 627 NE ARG A 138 11.285 2.875 -2.487 1.00 0.00 N ATOM 628 CZ ARG A 138 12.327 3.698 -2.436 1.00 0.00 C ATOM 629 NH1 ARG A 138 12.564 4.404 -1.339 1.00 0.00 N ATOM 630 NH2 ARG A 138 13.134 3.814 -3.483 1.00 0.00 N ATOM 0 H ARG A 138 8.600 -0.922 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 138 9.581 1.369 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 138 7.436 0.934 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 138 7.911 2.524 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.961 0.583 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 138 9.000 1.581 -2.636 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.766 3.599 -1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.904 2.519 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 138 11.131 2.345 -3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 138 11.946 4.316 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 138 13.364 5.035 -1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 138 12.955 3.271 -4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 138 13.934 4.446 -3.443 1.00 0.00 H new ATOM 644 N ILE A 139 6.504 0.401 1.738 1.00 0.00 N ATOM 645 CA ILE A 139 5.394 0.575 2.667 1.00 0.00 C ATOM 646 C ILE A 139 5.825 0.283 4.100 1.00 0.00 C ATOM 647 O ILE A 139 5.504 1.035 5.020 1.00 0.00 O ATOM 648 CB ILE A 139 4.208 -0.338 2.304 1.00 0.00 C ATOM 649 CG1 ILE A 139 3.643 0.043 0.934 1.00 0.00 C ATOM 650 CG2 ILE A 139 3.127 -0.251 3.371 1.00 0.00 C ATOM 651 CD1 ILE A 139 3.021 -1.119 0.192 1.00 0.00 C ATOM 0 H ILE A 139 6.391 -0.375 1.086 1.00 0.00 H new ATOM 0 HA ILE A 139 5.079 1.615 2.590 1.00 0.00 H new ATOM 0 HB ILE A 139 4.563 -1.368 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 139 2.893 0.824 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 139 4.442 0.466 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.295 -0.902 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.537 -0.566 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 139 2.773 0.777 3.447 1.00 0.00 H new ATOM 0 HD11 ILE A 139 2.642 -0.775 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 139 3.773 -1.892 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 139 2.200 -1.529 0.780 1.00 0.00 H new ATOM 663 N GLN A 140 6.557 -0.811 4.281 1.00 0.00 N ATOM 664 CA GLN A 140 7.033 -1.201 5.603 1.00 0.00 C ATOM 665 C GLN A 140 7.970 -0.144 6.177 1.00 0.00 C ATOM 666 O GLN A 140 7.923 0.160 7.370 1.00 0.00 O ATOM 667 CB GLN A 140 7.750 -2.551 5.532 1.00 0.00 C ATOM 668 CG GLN A 140 6.806 -3.742 5.535 1.00 0.00 C ATOM 669 CD GLN A 140 7.537 -5.066 5.427 1.00 0.00 C ATOM 670 OE1 GLN A 140 8.236 -5.267 4.316 1.00 0.00 O flip ATOM 671 NE2 GLN A 140 7.473 -5.899 6.331 1.00 0.00 N flip ATOM 0 H GLN A 140 6.833 -1.443 3.530 1.00 0.00 H new ATOM 0 HA GLN A 140 6.169 -1.291 6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 140 8.359 -2.583 4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 140 8.432 -2.636 6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 140 6.216 -3.731 6.451 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.107 -3.649 4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.924 -5.702 7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.969 -6.786 6.243 1.00 0.00 H new ATOM 680 N ASP A 141 8.820 0.413 5.322 1.00 0.00 N ATOM 681 CA ASP A 141 9.768 1.438 5.745 1.00 0.00 C ATOM 682 C ASP A 141 9.040 2.705 6.180 1.00 0.00 C ATOM 683 O ASP A 141 9.352 3.287 7.220 1.00 0.00 O ATOM 684 CB ASP A 141 10.744 1.759 4.611 1.00 0.00 C ATOM 685 CG ASP A 141 11.254 3.185 4.673 1.00 0.00 C ATOM 686 OD1 ASP A 141 11.848 3.558 5.706 1.00 0.00 O ATOM 687 OD2 ASP A 141 11.057 3.929 3.689 1.00 0.00 O ATOM 0 H ASP A 141 8.872 0.173 4.332 1.00 0.00 H new ATOM 0 HA ASP A 141 10.327 1.052 6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.589 1.072 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 141 10.251 1.594 3.653 1.00 0.00 H new ATOM 692 N LEU A 142 8.070 3.129 5.378 1.00 0.00 N ATOM 693 CA LEU A 142 7.297 4.329 5.680 1.00 0.00 C ATOM 694 C LEU A 142 6.454 4.133 6.936 1.00 0.00 C ATOM 695 O LEU A 142 6.303 5.049 7.745 1.00 0.00 O ATOM 696 CB LEU A 142 6.395 4.690 4.498 1.00 0.00 C ATOM 697 CG LEU A 142 7.092 5.310 3.287 1.00 0.00 C ATOM 698 CD1 LEU A 142 6.174 5.292 2.075 1.00 0.00 C ATOM 699 CD2 LEU A 142 7.539 6.731 3.598 1.00 0.00 C ATOM 0 H LEU A 142 7.800 2.660 4.514 1.00 0.00 H new ATOM 0 HA LEU A 142 7.996 5.146 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 142 5.878 3.787 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 142 5.632 5.385 4.848 1.00 0.00 H new ATOM 0 HG LEU A 142 7.975 4.714 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 142 6.688 5.737 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.904 4.263 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.272 5.863 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 142 8.033 7.156 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.671 7.338 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 142 8.234 6.718 4.438 1.00 0.00 H new ATOM 711 N LEU A 143 5.908 2.932 7.094 1.00 0.00 N ATOM 712 CA LEU A 143 5.082 2.614 8.253 1.00 0.00 C ATOM 713 C LEU A 143 5.931 2.515 9.516 1.00 0.00 C ATOM 714 O LEU A 143 5.466 2.819 10.616 1.00 0.00 O ATOM 715 CB LEU A 143 4.333 1.300 8.025 1.00 0.00 C ATOM 716 CG LEU A 143 3.190 1.347 7.010 1.00 0.00 C ATOM 717 CD1 LEU A 143 2.794 -0.059 6.586 1.00 0.00 C ATOM 718 CD2 LEU A 143 1.993 2.088 7.589 1.00 0.00 C ATOM 0 H LEU A 143 6.023 2.163 6.434 1.00 0.00 H new ATOM 0 HA LEU A 143 4.359 3.419 8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 143 5.051 0.547 7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 143 3.930 0.964 8.980 1.00 0.00 H new ATOM 0 HG LEU A 143 3.535 1.887 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 143 1.979 -0.005 5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 143 3.650 -0.557 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 143 2.468 -0.624 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 143 1.189 2.112 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 143 1.648 1.576 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 143 2.284 3.108 7.842 1.00 0.00 H new ATOM 730 N THR A 144 7.180 2.091 9.352 1.00 0.00 N ATOM 731 CA THR A 144 8.095 1.953 10.478 1.00 0.00 C ATOM 732 C THR A 144 8.463 3.315 11.058 1.00 0.00 C ATOM 733 O THR A 144 8.521 3.486 12.275 1.00 0.00 O ATOM 734 CB THR A 144 9.384 1.217 10.068 1.00 0.00 C ATOM 735 OG1 THR A 144 9.076 -0.118 9.655 1.00 0.00 O ATOM 736 CG2 THR A 144 10.376 1.180 11.221 1.00 0.00 C ATOM 0 H THR A 144 7.581 1.837 8.449 1.00 0.00 H new ATOM 0 HA THR A 144 7.576 1.366 11.236 1.00 0.00 H new ATOM 0 HB THR A 144 9.836 1.758 9.237 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.853 -0.122 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.279 0.655 10.908 1.00 0.00 H new ATOM 0 HG22 THR A 144 10.632 2.198 11.514 1.00 0.00 H new ATOM 0 HG23 THR A 144 9.930 0.660 12.069 1.00 0.00 H new ATOM 744 N GLU A 145 8.709 4.280 10.177 1.00 0.00 N ATOM 745 CA GLU A 145 9.072 5.627 10.603 1.00 0.00 C ATOM 746 C GLU A 145 7.853 6.375 11.135 1.00 0.00 C ATOM 747 O GLU A 145 7.982 7.408 11.791 1.00 0.00 O ATOM 748 CB GLU A 145 9.694 6.403 9.441 1.00 0.00 C ATOM 749 CG GLU A 145 10.894 5.710 8.819 1.00 0.00 C ATOM 750 CD GLU A 145 11.896 6.687 8.236 1.00 0.00 C ATOM 751 OE1 GLU A 145 12.273 7.644 8.945 1.00 0.00 O ATOM 752 OE2 GLU A 145 12.303 6.495 7.072 1.00 0.00 O ATOM 0 H GLU A 145 8.664 4.155 9.166 1.00 0.00 H new ATOM 0 HA GLU A 145 9.804 5.542 11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 145 8.937 6.559 8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 145 9.997 7.389 9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 145 11.387 5.098 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 145 10.552 5.035 8.035 1.00 0.00 H new ATOM 759 N GLY A 146 6.668 5.846 10.846 1.00 0.00 N ATOM 760 CA GLY A 146 5.443 6.477 11.301 1.00 0.00 C ATOM 761 C GLY A 146 4.758 7.272 10.207 1.00 0.00 C ATOM 762 O GLY A 146 3.558 7.536 10.278 1.00 0.00 O ATOM 0 H GLY A 146 6.535 4.992 10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 146 4.760 5.712 11.672 1.00 0.00 H new ATOM 0 HA3 GLY A 146 5.668 7.137 12.139 1.00 0.00 H new ATOM 766 N THR A 147 5.524 7.657 9.190 1.00 0.00 N ATOM 767 CA THR A 147 4.985 8.429 8.077 1.00 0.00 C ATOM 768 C THR A 147 3.610 7.915 7.666 1.00 0.00 C ATOM 769 O THR A 147 2.775 8.673 7.170 1.00 0.00 O ATOM 770 CB THR A 147 5.923 8.384 6.856 1.00 0.00 C ATOM 771 OG1 THR A 147 7.238 8.809 7.233 1.00 0.00 O ATOM 772 CG2 THR A 147 5.398 9.272 5.738 1.00 0.00 C ATOM 0 H THR A 147 6.519 7.447 9.115 1.00 0.00 H new ATOM 0 HA THR A 147 4.897 9.460 8.421 1.00 0.00 H new ATOM 0 HB THR A 147 5.964 7.357 6.494 1.00 0.00 H new ATOM 0 HG1 THR A 147 7.829 8.776 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 147 6.077 9.224 4.886 1.00 0.00 H new ATOM 0 HG22 THR A 147 4.409 8.928 5.434 1.00 0.00 H new ATOM 0 HG23 THR A 147 5.331 10.301 6.092 1.00 0.00 H new ATOM 780 N LEU A 148 3.379 6.624 7.876 1.00 0.00 N ATOM 781 CA LEU A 148 2.103 6.008 7.528 1.00 0.00 C ATOM 782 C LEU A 148 1.670 5.011 8.597 1.00 0.00 C ATOM 783 O LEU A 148 2.503 4.358 9.228 1.00 0.00 O ATOM 784 CB LEU A 148 2.206 5.307 6.172 1.00 0.00 C ATOM 785 CG LEU A 148 2.259 6.220 4.947 1.00 0.00 C ATOM 786 CD1 LEU A 148 2.837 5.476 3.752 1.00 0.00 C ATOM 787 CD2 LEU A 148 0.874 6.759 4.622 1.00 0.00 C ATOM 0 H LEU A 148 4.059 5.983 8.286 1.00 0.00 H new ATOM 0 HA LEU A 148 1.352 6.796 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.100 4.684 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 148 1.352 4.638 6.065 1.00 0.00 H new ATOM 0 HG LEU A 148 2.911 7.064 5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 148 2.867 6.141 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 148 3.847 5.140 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 148 2.211 4.613 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.932 7.407 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 148 0.200 5.928 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 148 0.497 7.329 5.471 1.00 0.00 H new ATOM 799 N THR A 149 0.360 4.895 8.796 1.00 0.00 N ATOM 800 CA THR A 149 -0.184 3.977 9.788 1.00 0.00 C ATOM 801 C THR A 149 -1.132 2.972 9.145 1.00 0.00 C ATOM 802 O THR A 149 -2.113 3.350 8.505 1.00 0.00 O ATOM 803 CB THR A 149 -0.933 4.733 10.902 1.00 0.00 C ATOM 804 OG1 THR A 149 -1.991 5.515 10.337 1.00 0.00 O ATOM 805 CG2 THR A 149 0.015 5.637 11.675 1.00 0.00 C ATOM 0 H THR A 149 -0.343 5.426 8.283 1.00 0.00 H new ATOM 0 HA THR A 149 0.662 3.446 10.225 1.00 0.00 H new ATOM 0 HB THR A 149 -1.352 3.999 11.591 1.00 0.00 H new ATOM 0 HG1 THR A 149 -2.372 5.043 9.567 1.00 0.00 H new ATOM 0 HG21 THR A 149 -0.537 6.160 12.456 1.00 0.00 H new ATOM 0 HG22 THR A 149 0.803 5.035 12.128 1.00 0.00 H new ATOM 0 HG23 THR A 149 0.459 6.364 10.995 1.00 0.00 H new ATOM 813 N GLY A 150 -0.835 1.688 9.320 1.00 0.00 N ATOM 814 CA GLY A 150 -1.671 0.648 8.751 1.00 0.00 C ATOM 815 C GLY A 150 -1.413 -0.710 9.373 1.00 0.00 C ATOM 816 O GLY A 150 -0.494 -0.868 10.177 1.00 0.00 O ATOM 0 H GLY A 150 -0.029 1.350 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -2.719 0.913 8.888 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.494 0.591 7.677 1.00 0.00 H new ATOM 820 N VAL A 151 -2.226 -1.694 9.002 1.00 0.00 N ATOM 821 CA VAL A 151 -2.081 -3.045 9.530 1.00 0.00 C ATOM 822 C VAL A 151 -2.099 -4.078 8.408 1.00 0.00 C ATOM 823 O VAL A 151 -2.717 -3.865 7.364 1.00 0.00 O ATOM 824 CB VAL A 151 -3.199 -3.377 10.537 1.00 0.00 C ATOM 825 CG1 VAL A 151 -3.153 -2.422 11.719 1.00 0.00 C ATOM 826 CG2 VAL A 151 -4.559 -3.332 9.857 1.00 0.00 C ATOM 0 H VAL A 151 -2.992 -1.581 8.338 1.00 0.00 H new ATOM 0 HA VAL A 151 -1.119 -3.084 10.041 1.00 0.00 H new ATOM 0 HB VAL A 151 -3.039 -4.388 10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -3.950 -2.672 12.420 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -2.189 -2.509 12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -3.287 -1.400 11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -5.337 -3.569 10.583 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -4.731 -2.334 9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -4.585 -4.061 9.047 1.00 0.00 H new ATOM 836 N ILE A 152 -1.419 -5.197 8.631 1.00 0.00 N ATOM 837 CA ILE A 152 -1.358 -6.264 7.640 1.00 0.00 C ATOM 838 C ILE A 152 -1.997 -7.543 8.169 1.00 0.00 C ATOM 839 O ILE A 152 -1.748 -7.950 9.304 1.00 0.00 O ATOM 840 CB ILE A 152 0.094 -6.563 7.223 1.00 0.00 C ATOM 841 CG1 ILE A 152 0.735 -5.321 6.600 1.00 0.00 C ATOM 842 CG2 ILE A 152 0.136 -7.732 6.250 1.00 0.00 C ATOM 843 CD1 ILE A 152 2.244 -5.392 6.528 1.00 0.00 C ATOM 0 H ILE A 152 -0.902 -5.388 9.489 1.00 0.00 H new ATOM 0 HA ILE A 152 -1.913 -5.917 6.769 1.00 0.00 H new ATOM 0 HB ILE A 152 0.663 -6.835 8.112 1.00 0.00 H new ATOM 0 HG12 ILE A 152 0.337 -5.182 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 152 0.448 -4.444 7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 152 1.169 -7.931 5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 152 -0.286 -8.617 6.726 1.00 0.00 H new ATOM 0 HG23 ILE A 152 -0.445 -7.487 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 152 2.630 -4.479 6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 152 2.652 -5.500 7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 152 2.539 -6.249 5.923 1.00 0.00 H new ATOM 855 N ASP A 153 -2.820 -8.175 7.339 1.00 0.00 N ATOM 856 CA ASP A 153 -3.492 -9.411 7.722 1.00 0.00 C ATOM 857 C ASP A 153 -2.734 -10.627 7.199 1.00 0.00 C ATOM 858 O ASP A 153 -1.731 -10.491 6.498 1.00 0.00 O ATOM 859 CB ASP A 153 -4.927 -9.421 7.190 1.00 0.00 C ATOM 860 CG ASP A 153 -5.731 -8.229 7.670 1.00 0.00 C ATOM 861 OD1 ASP A 153 -5.457 -7.738 8.785 1.00 0.00 O ATOM 862 OD2 ASP A 153 -6.634 -7.787 6.930 1.00 0.00 O ATOM 0 H ASP A 153 -3.038 -7.851 6.396 1.00 0.00 H new ATOM 0 HA ASP A 153 -3.515 -9.461 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.907 -9.427 6.100 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.422 -10.340 7.505 1.00 0.00 H new ATOM 867 N ASP A 154 -3.218 -11.814 7.547 1.00 0.00 N ATOM 868 CA ASP A 154 -2.586 -13.054 7.113 1.00 0.00 C ATOM 869 C ASP A 154 -2.575 -13.155 5.591 1.00 0.00 C ATOM 870 O ASP A 154 -1.920 -14.028 5.022 1.00 0.00 O ATOM 871 CB ASP A 154 -3.314 -14.259 7.712 1.00 0.00 C ATOM 872 CG ASP A 154 -3.315 -14.240 9.228 1.00 0.00 C ATOM 873 OD1 ASP A 154 -3.559 -13.161 9.807 1.00 0.00 O ATOM 874 OD2 ASP A 154 -3.072 -15.304 9.835 1.00 0.00 O ATOM 0 H ASP A 154 -4.046 -11.944 8.128 1.00 0.00 H new ATOM 0 HA ASP A 154 -1.555 -13.050 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -4.342 -14.275 7.351 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -2.840 -15.176 7.363 1.00 0.00 H new ATOM 879 N ARG A 155 -3.306 -12.258 4.938 1.00 0.00 N ATOM 880 CA ARG A 155 -3.382 -12.248 3.483 1.00 0.00 C ATOM 881 C ARG A 155 -2.413 -11.226 2.895 1.00 0.00 C ATOM 882 O ARG A 155 -2.581 -10.776 1.762 1.00 0.00 O ATOM 883 CB ARG A 155 -4.809 -11.934 3.028 1.00 0.00 C ATOM 884 CG ARG A 155 -5.115 -12.405 1.615 1.00 0.00 C ATOM 885 CD ARG A 155 -5.147 -13.923 1.529 1.00 0.00 C ATOM 886 NE ARG A 155 -5.832 -14.388 0.327 1.00 0.00 N ATOM 887 CZ ARG A 155 -6.036 -15.671 0.047 1.00 0.00 C ATOM 888 NH1 ARG A 155 -5.611 -16.610 0.880 1.00 0.00 N ATOM 889 NH2 ARG A 155 -6.668 -16.016 -1.067 1.00 0.00 N ATOM 0 H ARG A 155 -3.854 -11.529 5.394 1.00 0.00 H new ATOM 0 HA ARG A 155 -3.102 -13.238 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 155 -5.512 -12.401 3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 155 -4.972 -10.858 3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 155 -6.076 -12.001 1.296 1.00 0.00 H new ATOM 0 HG3 ARG A 155 -4.362 -12.016 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 155 -4.127 -14.308 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 155 -5.647 -14.326 2.410 1.00 0.00 H new ATOM 0 HE ARG A 155 -6.173 -13.690 -0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 155 -5.126 -16.349 1.738 1.00 0.00 H new ATOM 0 HH12 ARG A 155 -5.769 -17.594 0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 155 -6.998 -15.296 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 155 -6.824 -17.001 -1.281 1.00 0.00 H new ATOM 903 N GLY A 156 -1.398 -10.865 3.673 1.00 0.00 N ATOM 904 CA GLY A 156 -0.417 -9.899 3.213 1.00 0.00 C ATOM 905 C GLY A 156 -1.053 -8.718 2.507 1.00 0.00 C ATOM 906 O GLY A 156 -0.538 -8.237 1.498 1.00 0.00 O ATOM 0 H GLY A 156 -1.237 -11.224 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.162 -9.541 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 156 0.282 -10.390 2.536 1.00 0.00 H new ATOM 910 N LYS A 157 -2.178 -8.251 3.037 1.00 0.00 N ATOM 911 CA LYS A 157 -2.887 -7.119 2.452 1.00 0.00 C ATOM 912 C LYS A 157 -2.620 -5.842 3.242 1.00 0.00 C ATOM 913 O LYS A 157 -2.350 -5.888 4.442 1.00 0.00 O ATOM 914 CB LYS A 157 -4.391 -7.400 2.409 1.00 0.00 C ATOM 915 CG LYS A 157 -5.026 -7.524 3.784 1.00 0.00 C ATOM 916 CD LYS A 157 -6.506 -7.184 3.747 1.00 0.00 C ATOM 917 CE LYS A 157 -7.319 -8.299 3.108 1.00 0.00 C ATOM 918 NZ LYS A 157 -8.738 -8.279 3.558 1.00 0.00 N ATOM 0 H LYS A 157 -2.619 -8.639 3.871 1.00 0.00 H new ATOM 0 HA LYS A 157 -2.520 -6.979 1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -4.886 -6.599 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.564 -8.322 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.894 -8.540 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.517 -6.860 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.865 -7.006 4.761 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.654 -6.259 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -7.281 -8.200 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -6.873 -9.262 3.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -9.258 -9.054 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -8.777 -8.399 4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -9.172 -7.370 3.298 1.00 0.00 H new ATOM 932 N PHE A 158 -2.698 -4.703 2.561 1.00 0.00 N ATOM 933 CA PHE A 158 -2.465 -3.413 3.200 1.00 0.00 C ATOM 934 C PHE A 158 -3.777 -2.659 3.398 1.00 0.00 C ATOM 935 O PHE A 158 -4.522 -2.427 2.446 1.00 0.00 O ATOM 936 CB PHE A 158 -1.502 -2.571 2.360 1.00 0.00 C ATOM 937 CG PHE A 158 -1.062 -1.306 3.041 1.00 0.00 C ATOM 938 CD1 PHE A 158 -0.651 -1.323 4.364 1.00 0.00 C ATOM 939 CD2 PHE A 158 -1.059 -0.101 2.358 1.00 0.00 C ATOM 940 CE1 PHE A 158 -0.247 -0.161 4.993 1.00 0.00 C ATOM 941 CE2 PHE A 158 -0.655 1.065 2.981 1.00 0.00 C ATOM 942 CZ PHE A 158 -0.248 1.034 4.300 1.00 0.00 C ATOM 0 H PHE A 158 -2.921 -4.647 1.567 1.00 0.00 H new ATOM 0 HA PHE A 158 -2.020 -3.595 4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -0.623 -3.170 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -1.983 -2.317 1.415 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.646 -2.255 4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -1.376 -0.072 1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.069 -0.187 6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -0.658 1.998 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.069 1.943 4.789 1.00 0.00 H new ATOM 952 N ILE A 159 -4.053 -2.281 4.642 1.00 0.00 N ATOM 953 CA ILE A 159 -5.273 -1.554 4.966 1.00 0.00 C ATOM 954 C ILE A 159 -4.958 -0.226 5.645 1.00 0.00 C ATOM 955 O ILE A 159 -4.411 -0.195 6.748 1.00 0.00 O ATOM 956 CB ILE A 159 -6.195 -2.380 5.882 1.00 0.00 C ATOM 957 CG1 ILE A 159 -6.536 -3.719 5.225 1.00 0.00 C ATOM 958 CG2 ILE A 159 -7.463 -1.602 6.199 1.00 0.00 C ATOM 959 CD1 ILE A 159 -7.036 -4.761 6.201 1.00 0.00 C ATOM 0 H ILE A 159 -3.448 -2.467 5.442 1.00 0.00 H new ATOM 0 HA ILE A 159 -5.786 -1.365 4.023 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.670 -2.578 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.295 -3.556 4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -5.650 -4.102 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -8.104 -2.199 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -7.202 -0.672 6.704 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -7.992 -1.376 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -7.258 -5.684 5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.270 -4.953 6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -7.941 -4.398 6.689 1.00 0.00 H new ATOM 971 N TYR A 160 -5.308 0.870 4.981 1.00 0.00 N ATOM 972 CA TYR A 160 -5.063 2.202 5.520 1.00 0.00 C ATOM 973 C TYR A 160 -6.339 2.797 6.106 1.00 0.00 C ATOM 974 O TYR A 160 -7.394 2.779 5.471 1.00 0.00 O ATOM 975 CB TYR A 160 -4.511 3.123 4.430 1.00 0.00 C ATOM 976 CG TYR A 160 -3.631 4.232 4.962 1.00 0.00 C ATOM 977 CD1 TYR A 160 -2.417 3.948 5.575 1.00 0.00 C ATOM 978 CD2 TYR A 160 -4.014 5.563 4.850 1.00 0.00 C ATOM 979 CE1 TYR A 160 -1.611 4.958 6.063 1.00 0.00 C ATOM 980 CE2 TYR A 160 -3.213 6.579 5.333 1.00 0.00 C ATOM 981 CZ TYR A 160 -2.013 6.272 5.940 1.00 0.00 C ATOM 982 OH TYR A 160 -1.211 7.281 6.423 1.00 0.00 O ATOM 0 H TYR A 160 -5.763 0.862 4.068 1.00 0.00 H new ATOM 0 HA TYR A 160 -4.326 2.112 6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 160 -3.940 2.527 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 160 -5.344 3.563 3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 160 -2.098 2.921 5.672 1.00 0.00 H new ATOM 0 HD2 TYR A 160 -4.954 5.807 4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 160 -0.671 4.720 6.538 1.00 0.00 H new ATOM 0 HE2 TYR A 160 -3.525 7.609 5.236 1.00 0.00 H new ATOM 0 HH TYR A 160 -1.638 8.147 6.256 1.00 0.00 H new ATOM 992 N ILE A 161 -6.235 3.324 7.322 1.00 0.00 N ATOM 993 CA ILE A 161 -7.380 3.926 7.993 1.00 0.00 C ATOM 994 C ILE A 161 -7.170 5.422 8.203 1.00 0.00 C ATOM 995 O ILE A 161 -6.653 5.850 9.235 1.00 0.00 O ATOM 996 CB ILE A 161 -7.647 3.261 9.357 1.00 0.00 C ATOM 997 CG1 ILE A 161 -7.847 1.754 9.183 1.00 0.00 C ATOM 998 CG2 ILE A 161 -8.862 3.888 10.024 1.00 0.00 C ATOM 999 CD1 ILE A 161 -7.689 0.971 10.468 1.00 0.00 C ATOM 0 H ILE A 161 -5.370 3.346 7.862 1.00 0.00 H new ATOM 0 HA ILE A 161 -8.243 3.769 7.346 1.00 0.00 H new ATOM 0 HB ILE A 161 -6.781 3.423 9.999 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -8.842 1.572 8.776 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -7.130 1.383 8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -9.037 3.407 10.986 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -8.684 4.952 10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -9.736 3.754 9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -7.844 -0.089 10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -6.685 1.123 10.865 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -8.423 1.315 11.196 1.00 0.00 H new