USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 648 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 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 7:sc= 0.655 USER MOD Single : A 35 THR OG1 : rot -56:sc= 0.141 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 42 GLN : amide:sc= -0.0714 K(o=-0.071,f=-1.2) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot -52:sc= 0.0135 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 77 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.022) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.311 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 94 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.0026) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.112 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 12.425 -12.528 10.790 1.00 0.00 N ATOM 2 CA GLY A 31 13.488 -13.457 10.352 1.00 0.00 C ATOM 3 C GLY A 31 13.127 -14.065 9.006 1.00 0.00 C ATOM 4 O GLY A 31 11.956 -14.037 8.647 1.00 0.00 O ATOM 0 HA2 GLY A 31 14.437 -12.927 10.278 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.621 -14.246 11.093 1.00 0.00 H new ATOM 8 N ASN A 32 14.106 -14.620 8.282 1.00 0.00 N ATOM 9 CA ASN A 32 13.902 -15.317 7.005 1.00 0.00 C ATOM 10 C ASN A 32 14.847 -16.527 6.885 1.00 0.00 C ATOM 11 O ASN A 32 15.826 -16.631 7.625 1.00 0.00 O ATOM 12 CB ASN A 32 14.131 -14.332 5.841 1.00 0.00 C ATOM 13 CG ASN A 32 12.953 -13.395 5.625 1.00 0.00 C ATOM 14 OD1 ASN A 32 12.885 -12.307 6.171 1.00 0.00 O ATOM 15 ND2 ASN A 32 11.999 -13.789 4.802 1.00 0.00 N ATOM 0 H ASN A 32 15.083 -14.597 8.573 1.00 0.00 H new ATOM 0 HA ASN A 32 12.878 -15.689 6.964 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.027 -13.743 6.039 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.315 -14.894 4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.200 -13.182 4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.061 -14.700 4.348 1.00 0.00 H new ATOM 22 N GLY A 33 14.583 -17.411 5.914 1.00 0.00 N ATOM 23 CA GLY A 33 15.373 -18.619 5.676 1.00 0.00 C ATOM 24 C GLY A 33 14.866 -19.429 4.480 1.00 0.00 C ATOM 25 O GLY A 33 14.455 -18.876 3.460 1.00 0.00 O ATOM 0 H GLY A 33 13.804 -17.303 5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.413 -18.341 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 33 15.352 -19.244 6.569 1.00 0.00 H new ATOM 29 N SER A 34 14.942 -20.756 4.569 1.00 0.00 N ATOM 30 CA SER A 34 14.364 -21.702 3.605 1.00 0.00 C ATOM 31 C SER A 34 14.060 -23.018 4.321 1.00 0.00 C ATOM 32 O SER A 34 14.702 -23.305 5.329 1.00 0.00 O ATOM 33 CB SER A 34 15.354 -21.934 2.459 1.00 0.00 C ATOM 34 OG SER A 34 15.504 -20.724 1.739 1.00 0.00 O ATOM 0 H SER A 34 15.423 -21.222 5.339 1.00 0.00 H new ATOM 0 HA SER A 34 13.440 -21.297 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.316 -22.262 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.992 -22.724 1.800 1.00 0.00 H new ATOM 0 HG SER A 34 15.027 -20.005 2.204 1.00 0.00 H new ATOM 40 N THR A 35 13.095 -23.802 3.810 1.00 0.00 N ATOM 41 CA THR A 35 12.652 -25.101 4.366 1.00 0.00 C ATOM 42 C THR A 35 12.472 -25.111 5.903 1.00 0.00 C ATOM 43 O THR A 35 12.747 -26.098 6.585 1.00 0.00 O ATOM 44 CB THR A 35 13.532 -26.240 3.805 1.00 0.00 C ATOM 45 OG1 THR A 35 12.931 -27.494 4.041 1.00 0.00 O ATOM 46 CG2 THR A 35 14.982 -26.244 4.307 1.00 0.00 C ATOM 0 H THR A 35 12.581 -23.543 2.968 1.00 0.00 H new ATOM 0 HA THR A 35 11.634 -25.282 4.022 1.00 0.00 H new ATOM 0 HB THR A 35 13.595 -26.047 2.734 1.00 0.00 H new ATOM 0 HG1 THR A 35 12.760 -27.599 5.000 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.520 -27.079 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.466 -25.308 4.028 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.991 -26.347 5.392 1.00 0.00 H new ATOM 54 N ILE A 36 12.027 -23.981 6.470 1.00 0.00 N ATOM 55 CA ILE A 36 11.875 -23.824 7.919 1.00 0.00 C ATOM 56 C ILE A 36 10.694 -24.678 8.415 1.00 0.00 C ATOM 57 O ILE A 36 9.774 -24.998 7.660 1.00 0.00 O ATOM 58 CB ILE A 36 11.726 -22.333 8.327 1.00 0.00 C ATOM 59 CG1 ILE A 36 12.679 -21.362 7.579 1.00 0.00 C ATOM 60 CG2 ILE A 36 11.989 -22.185 9.840 1.00 0.00 C ATOM 61 CD1 ILE A 36 12.044 -20.732 6.332 1.00 0.00 C ATOM 0 H ILE A 36 11.763 -23.153 5.936 1.00 0.00 H new ATOM 0 HA ILE A 36 12.784 -24.181 8.403 1.00 0.00 H new ATOM 0 HB ILE A 36 10.708 -22.057 8.054 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.988 -20.570 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.580 -21.901 7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.885 -21.139 10.127 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.269 -22.787 10.395 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.999 -22.525 10.069 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.762 -20.064 5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.760 -21.518 5.632 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.159 -20.166 6.621 1.00 0.00 H new ATOM 73 N THR A 37 10.704 -25.030 9.704 1.00 0.00 N ATOM 74 CA THR A 37 9.599 -25.692 10.397 1.00 0.00 C ATOM 75 C THR A 37 8.280 -24.918 10.278 1.00 0.00 C ATOM 76 O THR A 37 8.247 -23.707 10.061 1.00 0.00 O ATOM 77 CB THR A 37 9.928 -25.901 11.895 1.00 0.00 C ATOM 78 OG1 THR A 37 11.091 -25.215 12.312 1.00 0.00 O ATOM 79 CG2 THR A 37 10.114 -27.384 12.215 1.00 0.00 C ATOM 0 H THR A 37 11.506 -24.856 10.310 1.00 0.00 H new ATOM 0 HA THR A 37 9.472 -26.658 9.908 1.00 0.00 H new ATOM 0 HB THR A 37 9.074 -25.493 12.436 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.246 -25.383 13.265 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.344 -27.502 13.274 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.197 -27.925 11.981 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.934 -27.785 11.619 1.00 0.00 H new ATOM 87 N PHE A 38 7.170 -25.624 10.522 1.00 0.00 N ATOM 88 CA PHE A 38 5.815 -25.065 10.501 1.00 0.00 C ATOM 89 C PHE A 38 5.605 -23.937 11.531 1.00 0.00 C ATOM 90 O PHE A 38 4.670 -23.151 11.376 1.00 0.00 O ATOM 91 CB PHE A 38 4.800 -26.200 10.713 1.00 0.00 C ATOM 92 CG PHE A 38 4.806 -27.268 9.630 1.00 0.00 C ATOM 93 CD1 PHE A 38 5.730 -28.333 9.677 1.00 0.00 C ATOM 94 CD2 PHE A 38 3.878 -27.205 8.571 1.00 0.00 C ATOM 95 CE1 PHE A 38 5.743 -29.307 8.663 1.00 0.00 C ATOM 96 CE2 PHE A 38 3.878 -28.191 7.566 1.00 0.00 C ATOM 97 CZ PHE A 38 4.816 -29.237 7.608 1.00 0.00 C ATOM 0 H PHE A 38 7.190 -26.619 10.744 1.00 0.00 H new ATOM 0 HA PHE A 38 5.663 -24.603 9.525 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.001 -26.675 11.673 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.801 -25.769 10.774 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.431 -28.401 10.496 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.163 -26.396 8.530 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.465 -30.109 8.694 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.157 -28.144 6.763 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.825 -29.986 6.830 1.00 0.00 H new ATOM 107 N ASP A 39 6.498 -23.819 12.527 1.00 0.00 N ATOM 108 CA ASP A 39 6.557 -22.757 13.539 1.00 0.00 C ATOM 109 C ASP A 39 6.418 -21.350 12.938 1.00 0.00 C ATOM 110 O ASP A 39 5.736 -20.500 13.517 1.00 0.00 O ATOM 111 CB ASP A 39 7.890 -22.845 14.305 1.00 0.00 C ATOM 112 CG ASP A 39 8.065 -24.123 15.136 1.00 0.00 C ATOM 113 OD1 ASP A 39 7.131 -24.463 15.899 1.00 0.00 O ATOM 114 OD2 ASP A 39 9.152 -24.736 15.005 1.00 0.00 O ATOM 0 H ASP A 39 7.242 -24.505 12.653 1.00 0.00 H new ATOM 0 HA ASP A 39 5.712 -22.913 14.210 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.710 -22.777 13.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.971 -21.983 14.967 1.00 0.00 H new ATOM 119 N GLU A 40 7.016 -21.117 11.760 1.00 0.00 N ATOM 120 CA GLU A 40 6.889 -19.852 11.037 1.00 0.00 C ATOM 121 C GLU A 40 5.420 -19.556 10.733 1.00 0.00 C ATOM 122 O GLU A 40 4.902 -18.530 11.170 1.00 0.00 O ATOM 123 CB GLU A 40 7.728 -19.857 9.746 1.00 0.00 C ATOM 124 CG GLU A 40 9.199 -20.235 9.963 1.00 0.00 C ATOM 125 CD GLU A 40 9.861 -19.481 11.132 1.00 0.00 C ATOM 126 OE1 GLU A 40 9.821 -18.229 11.113 1.00 0.00 O ATOM 127 OE2 GLU A 40 10.380 -20.159 12.050 1.00 0.00 O ATOM 0 H GLU A 40 7.601 -21.804 11.285 1.00 0.00 H new ATOM 0 HA GLU A 40 7.276 -19.058 11.676 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.284 -20.557 9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.680 -18.868 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.267 -21.307 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.757 -20.033 9.048 1.00 0.00 H new ATOM 134 N LEU A 41 4.739 -20.470 10.024 1.00 0.00 N ATOM 135 CA LEU A 41 3.319 -20.365 9.679 1.00 0.00 C ATOM 136 C LEU A 41 2.438 -20.229 10.925 1.00 0.00 C ATOM 137 O LEU A 41 1.483 -19.448 10.896 1.00 0.00 O ATOM 138 CB LEU A 41 2.860 -21.573 8.839 1.00 0.00 C ATOM 139 CG LEU A 41 3.073 -21.460 7.318 1.00 0.00 C ATOM 140 CD1 LEU A 41 2.331 -20.258 6.716 1.00 0.00 C ATOM 141 CD2 LEU A 41 4.553 -21.405 6.930 1.00 0.00 C ATOM 0 H LEU A 41 5.174 -21.321 9.668 1.00 0.00 H new ATOM 0 HA LEU A 41 3.205 -19.459 9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.387 -22.458 9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.799 -21.737 9.026 1.00 0.00 H new ATOM 0 HG LEU A 41 2.650 -22.373 6.899 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.511 -20.220 5.642 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.262 -20.361 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.693 -19.339 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.642 -21.326 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.020 -20.538 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.052 -22.312 7.270 1.00 0.00 H new ATOM 153 N GLN A 42 2.776 -20.947 12.008 1.00 0.00 N ATOM 154 CA GLN A 42 2.080 -20.826 13.288 1.00 0.00 C ATOM 155 C GLN A 42 2.105 -19.374 13.779 1.00 0.00 C ATOM 156 O GLN A 42 1.053 -18.738 13.844 1.00 0.00 O ATOM 157 CB GLN A 42 2.635 -21.781 14.364 1.00 0.00 C ATOM 158 CG GLN A 42 2.632 -23.265 13.954 1.00 0.00 C ATOM 159 CD GLN A 42 2.354 -24.241 15.099 1.00 0.00 C ATOM 160 OE1 GLN A 42 2.229 -23.884 16.265 1.00 0.00 O ATOM 161 NE2 GLN A 42 2.220 -25.516 14.783 1.00 0.00 N ATOM 0 H GLN A 42 3.538 -21.625 12.016 1.00 0.00 H new ATOM 0 HA GLN A 42 1.046 -21.123 13.115 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.656 -21.484 14.605 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.046 -21.666 15.274 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.881 -23.413 13.178 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.599 -23.509 13.513 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.324 -25.815 13.813 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.013 -26.202 15.509 1.00 0.00 H new ATOM 170 N GLY A 43 3.295 -18.832 14.085 1.00 0.00 N ATOM 171 CA GLY A 43 3.442 -17.454 14.567 1.00 0.00 C ATOM 172 C GLY A 43 2.910 -16.405 13.578 1.00 0.00 C ATOM 173 O GLY A 43 2.314 -15.408 13.995 1.00 0.00 O ATOM 0 H GLY A 43 4.178 -19.337 14.005 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.915 -17.350 15.515 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.495 -17.256 14.765 1.00 0.00 H new ATOM 177 N LEU A 44 3.060 -16.666 12.272 1.00 0.00 N ATOM 178 CA LEU A 44 2.538 -15.853 11.175 1.00 0.00 C ATOM 179 C LEU A 44 1.028 -15.610 11.297 1.00 0.00 C ATOM 180 O LEU A 44 0.593 -14.470 11.491 1.00 0.00 O ATOM 181 CB LEU A 44 2.878 -16.508 9.826 1.00 0.00 C ATOM 182 CG LEU A 44 4.194 -16.025 9.191 1.00 0.00 C ATOM 183 CD1 LEU A 44 4.669 -17.044 8.148 1.00 0.00 C ATOM 184 CD2 LEU A 44 3.977 -14.666 8.515 1.00 0.00 C ATOM 0 H LEU A 44 3.571 -17.485 11.942 1.00 0.00 H new ATOM 0 HA LEU A 44 3.019 -14.877 11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.932 -17.588 9.965 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.062 -16.317 9.129 1.00 0.00 H new ATOM 0 HG LEU A 44 4.950 -15.924 9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.601 -16.699 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.833 -18.008 8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.911 -17.150 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.912 -14.329 8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.217 -14.763 7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.647 -13.939 9.257 1.00 0.00 H new ATOM 196 N VAL A 45 0.216 -16.665 11.149 1.00 0.00 N ATOM 197 CA VAL A 45 -1.247 -16.525 11.213 1.00 0.00 C ATOM 198 C VAL A 45 -1.748 -16.232 12.630 1.00 0.00 C ATOM 199 O VAL A 45 -2.787 -15.593 12.777 1.00 0.00 O ATOM 200 CB VAL A 45 -1.955 -17.727 10.566 1.00 0.00 C ATOM 201 CG1 VAL A 45 -1.813 -19.018 11.384 1.00 0.00 C ATOM 202 CG2 VAL A 45 -3.438 -17.425 10.307 1.00 0.00 C ATOM 0 H VAL A 45 0.542 -17.617 10.985 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.512 -15.648 10.623 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.454 -17.894 9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.334 -19.830 10.876 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.757 -19.271 11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.247 -18.872 12.373 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.912 -18.293 9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.933 -17.197 11.251 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.523 -16.570 9.637 1.00 0.00 H new ATOM 212 N ASN A 46 -0.985 -16.624 13.660 1.00 0.00 N ATOM 213 CA ASN A 46 -1.293 -16.334 15.056 1.00 0.00 C ATOM 214 C ASN A 46 -1.460 -14.831 15.311 1.00 0.00 C ATOM 215 O ASN A 46 -2.507 -14.427 15.818 1.00 0.00 O ATOM 216 CB ASN A 46 -0.205 -16.955 15.948 1.00 0.00 C ATOM 217 CG ASN A 46 -0.389 -16.659 17.423 1.00 0.00 C ATOM 218 OD1 ASN A 46 0.360 -15.910 18.029 1.00 0.00 O ATOM 219 ND2 ASN A 46 -1.387 -17.254 18.042 1.00 0.00 N ATOM 0 H ASN A 46 -0.125 -17.159 13.538 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.255 -16.782 15.306 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.199 -18.035 15.801 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.769 -16.584 15.630 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.540 -17.091 19.037 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.007 -17.878 17.526 1.00 0.00 H new ATOM 226 N SER A 47 -0.440 -14.013 14.998 1.00 0.00 N ATOM 227 CA SER A 47 -0.468 -12.583 15.339 1.00 0.00 C ATOM 228 C SER A 47 0.498 -11.724 14.501 1.00 0.00 C ATOM 229 O SER A 47 1.032 -10.735 14.998 1.00 0.00 O ATOM 230 CB SER A 47 -0.245 -12.435 16.858 1.00 0.00 C ATOM 231 OG SER A 47 -0.740 -11.212 17.372 1.00 0.00 O ATOM 0 H SER A 47 0.406 -14.315 14.514 1.00 0.00 H new ATOM 0 HA SER A 47 -1.450 -12.187 15.080 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.731 -13.263 17.374 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.821 -12.508 17.072 1.00 0.00 H new ATOM 0 HG SER A 47 -0.380 -10.467 16.847 1.00 0.00 H new ATOM 237 N THR A 48 0.694 -12.068 13.217 1.00 0.00 N ATOM 238 CA THR A 48 1.562 -11.317 12.289 1.00 0.00 C ATOM 239 C THR A 48 0.813 -10.972 11.000 1.00 0.00 C ATOM 240 O THR A 48 0.628 -9.792 10.705 1.00 0.00 O ATOM 241 CB THR A 48 2.865 -12.089 12.018 1.00 0.00 C ATOM 242 OG1 THR A 48 3.600 -12.242 13.211 1.00 0.00 O ATOM 243 CG2 THR A 48 3.790 -11.423 10.999 1.00 0.00 C ATOM 0 H THR A 48 0.252 -12.881 12.789 1.00 0.00 H new ATOM 0 HA THR A 48 1.839 -10.373 12.758 1.00 0.00 H new ATOM 0 HB THR A 48 2.542 -13.046 11.607 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.426 -12.736 13.025 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.684 -12.032 10.867 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.272 -11.328 10.045 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.074 -10.434 11.358 1.00 0.00 H new ATOM 251 N VAL A 49 0.325 -11.973 10.247 1.00 0.00 N ATOM 252 CA VAL A 49 -0.400 -11.738 8.987 1.00 0.00 C ATOM 253 C VAL A 49 -1.697 -10.958 9.223 1.00 0.00 C ATOM 254 O VAL A 49 -2.013 -10.057 8.454 1.00 0.00 O ATOM 255 CB VAL A 49 -0.651 -13.053 8.213 1.00 0.00 C ATOM 256 CG1 VAL A 49 -1.928 -13.796 8.635 1.00 0.00 C ATOM 257 CG2 VAL A 49 -0.729 -12.784 6.706 1.00 0.00 C ATOM 0 H VAL A 49 0.421 -12.959 10.492 1.00 0.00 H new ATOM 0 HA VAL A 49 0.239 -11.119 8.357 1.00 0.00 H new ATOM 0 HB VAL A 49 0.197 -13.692 8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.031 -14.707 8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.867 -14.053 9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.794 -13.155 8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.906 -13.721 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.546 -12.092 6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.210 -12.347 6.365 1.00 0.00 H new ATOM 267 N THR A 50 -2.420 -11.268 10.311 1.00 0.00 N ATOM 268 CA THR A 50 -3.697 -10.633 10.662 1.00 0.00 C ATOM 269 C THR A 50 -3.519 -9.141 10.945 1.00 0.00 C ATOM 270 O THR A 50 -4.357 -8.330 10.557 1.00 0.00 O ATOM 271 CB THR A 50 -4.368 -11.370 11.839 1.00 0.00 C ATOM 272 OG1 THR A 50 -5.733 -11.022 11.927 1.00 0.00 O ATOM 273 CG2 THR A 50 -3.725 -11.097 13.201 1.00 0.00 C ATOM 0 H THR A 50 -2.127 -11.979 10.981 1.00 0.00 H new ATOM 0 HA THR A 50 -4.364 -10.712 9.803 1.00 0.00 H new ATOM 0 HB THR A 50 -4.237 -12.429 11.617 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.144 -11.499 12.678 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.257 -11.653 13.973 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.682 -11.412 13.181 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.778 -10.031 13.421 1.00 0.00 H new ATOM 281 N GLN A 51 -2.380 -8.762 11.543 1.00 0.00 N ATOM 282 CA GLN A 51 -2.059 -7.375 11.862 1.00 0.00 C ATOM 283 C GLN A 51 -1.902 -6.524 10.593 1.00 0.00 C ATOM 284 O GLN A 51 -2.258 -5.347 10.604 1.00 0.00 O ATOM 285 CB GLN A 51 -0.792 -7.326 12.735 1.00 0.00 C ATOM 286 CG GLN A 51 -0.743 -6.039 13.577 1.00 0.00 C ATOM 287 CD GLN A 51 0.673 -5.685 14.023 1.00 0.00 C ATOM 288 OE1 GLN A 51 1.551 -5.421 13.219 1.00 0.00 O ATOM 289 NE2 GLN A 51 0.936 -5.615 15.314 1.00 0.00 N ATOM 0 H GLN A 51 -1.652 -9.421 11.819 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.889 -6.946 12.424 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.767 -8.195 13.393 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.092 -7.382 12.100 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.155 -5.213 12.997 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.378 -6.159 14.455 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.209 -5.834 15.995 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.866 -5.342 15.631 1.00 0.00 H new ATOM 298 N ALA A 52 -1.428 -7.121 9.490 1.00 0.00 N ATOM 299 CA ALA A 52 -1.190 -6.437 8.221 1.00 0.00 C ATOM 300 C ALA A 52 -2.474 -5.860 7.607 1.00 0.00 C ATOM 301 O ALA A 52 -2.463 -4.718 7.141 1.00 0.00 O ATOM 302 CB ALA A 52 -0.519 -7.411 7.244 1.00 0.00 C ATOM 0 H ALA A 52 -1.196 -8.114 9.460 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.535 -5.588 8.417 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.338 -6.907 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.429 -7.749 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.171 -8.269 7.081 1.00 0.00 H new ATOM 308 N ILE A 53 -3.571 -6.637 7.626 1.00 0.00 N ATOM 309 CA ILE A 53 -4.893 -6.197 7.156 1.00 0.00 C ATOM 310 C ILE A 53 -5.358 -4.994 7.984 1.00 0.00 C ATOM 311 O ILE A 53 -5.716 -3.964 7.418 1.00 0.00 O ATOM 312 CB ILE A 53 -5.935 -7.349 7.178 1.00 0.00 C ATOM 313 CG1 ILE A 53 -5.456 -8.581 6.369 1.00 0.00 C ATOM 314 CG2 ILE A 53 -7.281 -6.877 6.600 1.00 0.00 C ATOM 315 CD1 ILE A 53 -4.935 -9.697 7.275 1.00 0.00 C ATOM 0 H ILE A 53 -3.563 -7.597 7.972 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.803 -5.892 6.113 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.055 -7.639 8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.280 -8.960 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.669 -8.277 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.996 -7.699 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.662 -6.047 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.140 -6.550 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.610 -10.540 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.093 -9.327 7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.730 -10.021 7.947 1.00 0.00 H new ATOM 327 N LEU A 54 -5.298 -5.101 9.318 1.00 0.00 N ATOM 328 CA LEU A 54 -5.702 -4.046 10.254 1.00 0.00 C ATOM 329 C LEU A 54 -4.884 -2.768 10.019 1.00 0.00 C ATOM 330 O LEU A 54 -5.455 -1.696 9.809 1.00 0.00 O ATOM 331 CB LEU A 54 -5.544 -4.520 11.716 1.00 0.00 C ATOM 332 CG LEU A 54 -6.165 -5.892 12.051 1.00 0.00 C ATOM 333 CD1 LEU A 54 -5.581 -6.462 13.350 1.00 0.00 C ATOM 334 CD2 LEU A 54 -7.689 -5.836 12.169 1.00 0.00 C ATOM 0 H LEU A 54 -4.960 -5.942 9.786 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.754 -3.822 10.075 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.481 -4.557 11.953 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.990 -3.771 12.370 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.913 -6.547 11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.037 -7.429 13.560 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.503 -6.585 13.241 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.787 -5.777 14.173 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.072 -6.829 12.406 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.967 -5.141 12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.115 -5.498 11.224 1.00 0.00 H new ATOM 346 N PHE A 55 -3.547 -2.888 10.026 1.00 0.00 N ATOM 347 CA PHE A 55 -2.623 -1.781 9.797 1.00 0.00 C ATOM 348 C PHE A 55 -2.913 -1.108 8.452 1.00 0.00 C ATOM 349 O PHE A 55 -3.123 0.103 8.412 1.00 0.00 O ATOM 350 CB PHE A 55 -1.167 -2.273 9.897 1.00 0.00 C ATOM 351 CG PHE A 55 -0.158 -1.176 10.194 1.00 0.00 C ATOM 352 CD1 PHE A 55 0.148 -0.196 9.229 1.00 0.00 C ATOM 353 CD2 PHE A 55 0.471 -1.126 11.455 1.00 0.00 C ATOM 354 CE1 PHE A 55 1.053 0.838 9.531 1.00 0.00 C ATOM 355 CE2 PHE A 55 1.380 -0.096 11.756 1.00 0.00 C ATOM 356 CZ PHE A 55 1.666 0.891 10.796 1.00 0.00 C ATOM 0 H PHE A 55 -3.075 -3.777 10.195 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.768 -1.028 10.571 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.104 -3.030 10.678 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.894 -2.758 8.960 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.314 -0.239 8.254 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.253 -1.883 12.194 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.277 1.592 8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.858 -0.063 12.724 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.355 1.689 11.030 1.00 0.00 H new ATOM 366 N GLY A 56 -2.969 -1.890 7.364 1.00 0.00 N ATOM 367 CA GLY A 56 -3.263 -1.403 6.019 1.00 0.00 C ATOM 368 C GLY A 56 -4.616 -0.694 5.913 1.00 0.00 C ATOM 369 O GLY A 56 -4.680 0.392 5.340 1.00 0.00 O ATOM 0 H GLY A 56 -2.807 -2.896 7.401 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.476 -0.716 5.709 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.245 -2.243 5.324 1.00 0.00 H new ATOM 373 N VAL A 57 -5.682 -1.266 6.493 1.00 0.00 N ATOM 374 CA VAL A 57 -7.022 -0.654 6.552 1.00 0.00 C ATOM 375 C VAL A 57 -6.950 0.739 7.173 1.00 0.00 C ATOM 376 O VAL A 57 -7.318 1.724 6.525 1.00 0.00 O ATOM 377 CB VAL A 57 -8.010 -1.566 7.317 1.00 0.00 C ATOM 378 CG1 VAL A 57 -9.284 -0.837 7.777 1.00 0.00 C ATOM 379 CG2 VAL A 57 -8.439 -2.756 6.450 1.00 0.00 C ATOM 0 H VAL A 57 -5.639 -2.181 6.942 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.397 -0.545 5.534 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.465 -1.900 8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.932 -1.536 8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.014 -0.017 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.810 -0.441 6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.133 -3.382 7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.927 -2.391 5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.562 -3.342 6.176 1.00 0.00 H new ATOM 389 N ARG A 58 -6.484 0.825 8.429 1.00 0.00 N ATOM 390 CA ARG A 58 -6.443 2.102 9.152 1.00 0.00 C ATOM 391 C ARG A 58 -5.504 3.094 8.470 1.00 0.00 C ATOM 392 O ARG A 58 -5.865 4.259 8.340 1.00 0.00 O ATOM 393 CB ARG A 58 -6.074 1.907 10.630 1.00 0.00 C ATOM 394 CG ARG A 58 -7.043 0.947 11.333 1.00 0.00 C ATOM 395 CD ARG A 58 -6.904 1.006 12.857 1.00 0.00 C ATOM 396 NE ARG A 58 -8.223 0.884 13.502 1.00 0.00 N ATOM 397 CZ ARG A 58 -8.473 0.771 14.797 1.00 0.00 C ATOM 398 NH1 ARG A 58 -7.506 0.691 15.678 1.00 0.00 N ATOM 399 NH2 ARG A 58 -9.708 0.743 15.233 1.00 0.00 N ATOM 0 H ARG A 58 -6.132 0.029 8.961 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.448 2.524 9.124 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.058 1.518 10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.084 2.871 11.138 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.067 1.195 11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.857 -0.071 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.250 0.204 13.199 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.436 1.946 13.149 1.00 0.00 H new ATOM 0 HE ARG A 58 -9.033 0.887 12.882 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.533 0.715 15.371 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.726 0.605 16.670 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.483 0.808 14.573 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.894 0.656 16.232 1.00 0.00 H new ATOM 413 N SER A 59 -4.358 2.611 7.978 1.00 0.00 N ATOM 414 CA SER A 59 -3.394 3.375 7.183 1.00 0.00 C ATOM 415 C SER A 59 -4.054 4.006 5.956 1.00 0.00 C ATOM 416 O SER A 59 -4.004 5.223 5.816 1.00 0.00 O ATOM 417 CB SER A 59 -2.210 2.483 6.789 1.00 0.00 C ATOM 418 OG SER A 59 -1.269 3.189 6.007 1.00 0.00 O ATOM 0 H SER A 59 -4.068 1.645 8.128 1.00 0.00 H new ATOM 0 HA SER A 59 -3.017 4.194 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.725 2.102 7.688 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.573 1.619 6.232 1.00 0.00 H new ATOM 0 HG SER A 59 -0.526 2.594 5.773 1.00 0.00 H new ATOM 424 N GLY A 60 -4.725 3.218 5.103 1.00 0.00 N ATOM 425 CA GLY A 60 -5.389 3.713 3.896 1.00 0.00 C ATOM 426 C GLY A 60 -6.482 4.747 4.184 1.00 0.00 C ATOM 427 O GLY A 60 -6.518 5.798 3.542 1.00 0.00 O ATOM 0 H GLY A 60 -4.821 2.211 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.644 4.157 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.828 2.871 3.360 1.00 0.00 H new ATOM 431 N ALA A 61 -7.355 4.468 5.161 1.00 0.00 N ATOM 432 CA ALA A 61 -8.409 5.397 5.567 1.00 0.00 C ATOM 433 C ALA A 61 -7.838 6.705 6.146 1.00 0.00 C ATOM 434 O ALA A 61 -8.211 7.789 5.689 1.00 0.00 O ATOM 435 CB ALA A 61 -9.347 4.696 6.558 1.00 0.00 C ATOM 0 H ALA A 61 -7.348 3.595 5.688 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.979 5.685 4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.134 5.385 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.793 3.823 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.781 4.381 7.434 1.00 0.00 H new ATOM 441 N ALA A 62 -6.923 6.607 7.126 1.00 0.00 N ATOM 442 CA ALA A 62 -6.248 7.754 7.734 1.00 0.00 C ATOM 443 C ALA A 62 -5.448 8.565 6.698 1.00 0.00 C ATOM 444 O ALA A 62 -5.505 9.794 6.700 1.00 0.00 O ATOM 445 CB ALA A 62 -5.361 7.277 8.890 1.00 0.00 C ATOM 0 H ALA A 62 -6.631 5.713 7.520 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.005 8.430 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.859 8.133 9.341 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.977 6.781 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.615 6.578 8.512 1.00 0.00 H new ATOM 451 N ALA A 63 -4.765 7.890 5.766 1.00 0.00 N ATOM 452 CA ALA A 63 -4.108 8.512 4.624 1.00 0.00 C ATOM 453 C ALA A 63 -5.097 9.322 3.779 1.00 0.00 C ATOM 454 O ALA A 63 -4.883 10.517 3.584 1.00 0.00 O ATOM 455 CB ALA A 63 -3.386 7.442 3.800 1.00 0.00 C ATOM 0 H ALA A 63 -4.655 6.876 5.790 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.365 9.222 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.895 7.910 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.640 6.947 4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.108 6.707 3.445 1.00 0.00 H new ATOM 461 N LEU A 64 -6.187 8.702 3.304 1.00 0.00 N ATOM 462 CA LEU A 64 -7.207 9.374 2.496 1.00 0.00 C ATOM 463 C LEU A 64 -7.704 10.667 3.152 1.00 0.00 C ATOM 464 O LEU A 64 -7.665 11.723 2.515 1.00 0.00 O ATOM 465 CB LEU A 64 -8.328 8.378 2.162 1.00 0.00 C ATOM 466 CG LEU A 64 -9.570 9.016 1.496 1.00 0.00 C ATOM 467 CD1 LEU A 64 -10.115 8.094 0.404 1.00 0.00 C ATOM 468 CD2 LEU A 64 -10.683 9.291 2.519 1.00 0.00 C ATOM 0 H LEU A 64 -6.384 7.715 3.472 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.765 9.700 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.930 7.610 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.639 7.878 3.079 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.255 9.965 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.989 8.554 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.347 7.933 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.398 7.137 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.539 9.739 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.987 8.354 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.314 9.975 3.283 1.00 0.00 H new ATOM 480 N THR A 65 -8.142 10.606 4.416 1.00 0.00 N ATOM 481 CA THR A 65 -8.591 11.813 5.123 1.00 0.00 C ATOM 482 C THR A 65 -7.474 12.857 5.232 1.00 0.00 C ATOM 483 O THR A 65 -7.746 14.030 4.993 1.00 0.00 O ATOM 484 CB THR A 65 -9.246 11.496 6.480 1.00 0.00 C ATOM 485 OG1 THR A 65 -9.733 12.666 7.098 1.00 0.00 O ATOM 486 CG2 THR A 65 -8.320 10.811 7.472 1.00 0.00 C ATOM 0 H THR A 65 -8.195 9.747 4.964 1.00 0.00 H new ATOM 0 HA THR A 65 -9.377 12.260 4.515 1.00 0.00 H new ATOM 0 HB THR A 65 -10.055 10.809 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.145 12.435 7.957 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.858 10.623 8.401 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.975 9.865 7.054 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.463 11.453 7.673 1.00 0.00 H new ATOM 494 N LEU A 66 -6.222 12.475 5.530 1.00 0.00 N ATOM 495 CA LEU A 66 -5.109 13.434 5.604 1.00 0.00 C ATOM 496 C LEU A 66 -4.888 14.144 4.254 1.00 0.00 C ATOM 497 O LEU A 66 -4.646 15.352 4.231 1.00 0.00 O ATOM 498 CB LEU A 66 -3.843 12.759 6.198 1.00 0.00 C ATOM 499 CG LEU A 66 -2.670 12.476 5.231 1.00 0.00 C ATOM 500 CD1 LEU A 66 -1.817 13.735 4.994 1.00 0.00 C ATOM 501 CD2 LEU A 66 -1.778 11.323 5.715 1.00 0.00 C ATOM 0 H LEU A 66 -5.956 11.510 5.723 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.367 14.234 6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.471 13.391 7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.145 11.813 6.648 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.122 12.175 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.002 13.499 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.438 14.519 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.406 14.080 5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.970 11.164 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.358 11.572 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.373 10.413 5.798 1.00 0.00 H new ATOM 513 N ILE A 67 -5.008 13.416 3.137 1.00 0.00 N ATOM 514 CA ILE A 67 -4.813 13.953 1.787 1.00 0.00 C ATOM 515 C ILE A 67 -5.870 15.017 1.506 1.00 0.00 C ATOM 516 O ILE A 67 -5.520 16.160 1.213 1.00 0.00 O ATOM 517 CB ILE A 67 -4.847 12.826 0.734 1.00 0.00 C ATOM 518 CG1 ILE A 67 -3.684 11.831 0.941 1.00 0.00 C ATOM 519 CG2 ILE A 67 -4.796 13.385 -0.701 1.00 0.00 C ATOM 520 CD1 ILE A 67 -4.062 10.411 0.506 1.00 0.00 C ATOM 0 H ILE A 67 -5.246 12.424 3.147 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.829 14.417 1.724 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.793 12.301 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.815 12.165 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.395 11.824 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.822 12.561 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.654 14.036 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.876 13.954 -0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.216 9.743 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.914 10.066 1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.325 10.412 -0.552 1.00 0.00 H new ATOM 532 N VAL A 68 -7.159 14.663 1.618 1.00 0.00 N ATOM 533 CA VAL A 68 -8.233 15.627 1.334 1.00 0.00 C ATOM 534 C VAL A 68 -8.172 16.826 2.288 1.00 0.00 C ATOM 535 O VAL A 68 -8.398 17.953 1.848 1.00 0.00 O ATOM 536 CB VAL A 68 -9.636 14.982 1.281 1.00 0.00 C ATOM 537 CG1 VAL A 68 -9.641 13.670 0.480 1.00 0.00 C ATOM 538 CG2 VAL A 68 -10.260 14.736 2.659 1.00 0.00 C ATOM 0 H VAL A 68 -7.479 13.736 1.897 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.055 16.002 0.326 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.253 15.721 0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.648 13.253 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.320 13.867 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.958 12.958 0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.243 14.282 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.620 14.067 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.361 15.684 3.187 1.00 0.00 H new ATOM 548 N VAL A 69 -7.790 16.598 3.558 1.00 0.00 N ATOM 549 CA VAL A 69 -7.552 17.636 4.571 1.00 0.00 C ATOM 550 C VAL A 69 -6.449 18.591 4.126 1.00 0.00 C ATOM 551 O VAL A 69 -6.695 19.792 4.074 1.00 0.00 O ATOM 552 CB VAL A 69 -7.245 17.020 5.953 1.00 0.00 C ATOM 553 CG1 VAL A 69 -6.588 18.009 6.929 1.00 0.00 C ATOM 554 CG2 VAL A 69 -8.541 16.513 6.601 1.00 0.00 C ATOM 0 H VAL A 69 -7.634 15.656 3.916 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.470 18.215 4.675 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.543 16.207 5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.400 17.511 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.645 18.361 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.253 18.858 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.315 16.080 7.576 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.235 17.344 6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.994 15.754 5.963 1.00 0.00 H new ATOM 564 N TRP A 70 -5.249 18.097 3.802 1.00 0.00 N ATOM 565 CA TRP A 70 -4.150 18.958 3.358 1.00 0.00 C ATOM 566 C TRP A 70 -4.510 19.746 2.091 1.00 0.00 C ATOM 567 O TRP A 70 -4.152 20.918 2.002 1.00 0.00 O ATOM 568 CB TRP A 70 -2.867 18.137 3.176 1.00 0.00 C ATOM 569 CG TRP A 70 -1.775 18.820 2.409 1.00 0.00 C ATOM 570 CD1 TRP A 70 -1.267 20.040 2.680 1.00 0.00 C ATOM 571 CD2 TRP A 70 -1.111 18.394 1.183 1.00 0.00 C ATOM 572 NE1 TRP A 70 -0.338 20.400 1.731 1.00 0.00 N ATOM 573 CE2 TRP A 70 -0.214 19.425 0.766 1.00 0.00 C ATOM 574 CE3 TRP A 70 -1.201 17.247 0.369 1.00 0.00 C ATOM 575 CZ2 TRP A 70 0.551 19.326 -0.405 1.00 0.00 C ATOM 576 CZ3 TRP A 70 -0.446 17.140 -0.812 1.00 0.00 C ATOM 577 CH2 TRP A 70 0.427 18.172 -1.199 1.00 0.00 C ATOM 0 H TRP A 70 -5.015 17.105 3.839 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.970 19.699 4.137 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.484 17.868 4.161 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.119 17.207 2.667 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.550 20.650 3.525 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.189 21.273 1.741 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -1.859 16.440 0.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 1.223 20.121 -0.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.537 16.257 -1.428 1.00 0.00 H new ATOM 0 HH2 TRP A 70 1.003 18.078 -2.108 1.00 0.00 H new ATOM 588 N ILE A 71 -5.265 19.150 1.159 1.00 0.00 N ATOM 589 CA ILE A 71 -5.744 19.820 -0.056 1.00 0.00 C ATOM 590 C ILE A 71 -6.702 20.975 0.286 1.00 0.00 C ATOM 591 O ILE A 71 -6.483 22.095 -0.172 1.00 0.00 O ATOM 592 CB ILE A 71 -6.349 18.775 -1.031 1.00 0.00 C ATOM 593 CG1 ILE A 71 -5.299 18.222 -2.023 1.00 0.00 C ATOM 594 CG2 ILE A 71 -7.518 19.319 -1.879 1.00 0.00 C ATOM 595 CD1 ILE A 71 -4.005 17.660 -1.419 1.00 0.00 C ATOM 0 H ILE A 71 -5.564 18.177 1.229 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.904 20.285 -0.572 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.715 17.989 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.769 17.434 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.032 19.021 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.888 18.532 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.321 19.651 -1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.171 20.159 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.354 17.305 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.496 18.443 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.245 16.832 -0.752 1.00 0.00 H new ATOM 607 N THR A 72 -7.764 20.716 1.062 1.00 0.00 N ATOM 608 CA THR A 72 -8.806 21.719 1.350 1.00 0.00 C ATOM 609 C THR A 72 -8.364 22.739 2.404 1.00 0.00 C ATOM 610 O THR A 72 -8.488 23.945 2.200 1.00 0.00 O ATOM 611 CB THR A 72 -10.131 21.034 1.724 1.00 0.00 C ATOM 612 OG1 THR A 72 -11.161 21.992 1.719 1.00 0.00 O ATOM 613 CG2 THR A 72 -10.147 20.331 3.084 1.00 0.00 C ATOM 0 H THR A 72 -7.927 19.812 1.506 1.00 0.00 H new ATOM 0 HA THR A 72 -8.972 22.290 0.436 1.00 0.00 H new ATOM 0 HB THR A 72 -10.270 20.255 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.009 21.562 1.955 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.126 19.882 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.383 19.553 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.943 21.057 3.871 1.00 0.00 H new ATOM 621 N SER A 73 -7.785 22.260 3.511 1.00 0.00 N ATOM 622 CA SER A 73 -7.280 23.072 4.622 1.00 0.00 C ATOM 623 C SER A 73 -5.968 23.783 4.273 1.00 0.00 C ATOM 624 O SER A 73 -5.531 24.664 5.008 1.00 0.00 O ATOM 625 CB SER A 73 -7.082 22.174 5.852 1.00 0.00 C ATOM 626 OG SER A 73 -7.154 22.934 7.038 1.00 0.00 O ATOM 0 H SER A 73 -7.651 21.260 3.662 1.00 0.00 H new ATOM 0 HA SER A 73 -8.016 23.847 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.844 21.394 5.866 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.115 21.674 5.792 1.00 0.00 H new ATOM 0 HG SER A 73 -7.027 22.346 7.812 1.00 0.00 H new ATOM 632 N ARG A 74 -5.340 23.409 3.145 1.00 0.00 N ATOM 633 CA ARG A 74 -4.051 23.923 2.665 1.00 0.00 C ATOM 634 C ARG A 74 -2.985 23.867 3.762 1.00 0.00 C ATOM 635 O ARG A 74 -2.253 24.828 3.990 1.00 0.00 O ATOM 636 CB ARG A 74 -4.215 25.330 2.075 1.00 0.00 C ATOM 637 CG ARG A 74 -5.385 25.474 1.083 1.00 0.00 C ATOM 638 CD ARG A 74 -4.921 26.069 -0.248 1.00 0.00 C ATOM 639 NE ARG A 74 -5.934 26.967 -0.829 1.00 0.00 N ATOM 640 CZ ARG A 74 -5.699 27.910 -1.733 1.00 0.00 C ATOM 641 NH1 ARG A 74 -4.516 28.033 -2.290 1.00 0.00 N ATOM 642 NH2 ARG A 74 -6.644 28.745 -2.099 1.00 0.00 N ATOM 0 H ARG A 74 -5.736 22.710 2.517 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.699 23.276 1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.358 26.038 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.290 25.608 1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.838 24.498 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.156 26.110 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.992 26.619 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.704 25.264 -0.950 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.896 26.855 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.761 27.398 -2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.352 28.763 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.575 28.674 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.448 29.464 -2.795 1.00 0.00 H new ATOM 656 N SER A 75 -2.941 22.727 4.465 1.00 0.00 N ATOM 657 CA SER A 75 -1.985 22.487 5.549 1.00 0.00 C ATOM 658 C SER A 75 -0.536 22.654 5.059 1.00 0.00 C ATOM 659 O SER A 75 -0.250 22.710 3.857 1.00 0.00 O ATOM 660 CB SER A 75 -2.220 21.108 6.190 1.00 0.00 C ATOM 661 OG SER A 75 -1.430 20.953 7.354 1.00 0.00 O ATOM 0 H SER A 75 -3.571 21.943 4.295 1.00 0.00 H new ATOM 0 HA SER A 75 -2.149 23.238 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.274 20.995 6.443 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.978 20.323 5.474 1.00 0.00 H new ATOM 0 HG SER A 75 -1.596 20.071 7.747 1.00 0.00 H new ATOM 667 N ARG A 76 0.403 22.704 6.006 1.00 0.00 N ATOM 668 CA ARG A 76 1.833 22.800 5.715 1.00 0.00 C ATOM 669 C ARG A 76 2.283 21.637 4.820 1.00 0.00 C ATOM 670 O ARG A 76 1.676 20.564 4.804 1.00 0.00 O ATOM 671 CB ARG A 76 2.619 22.810 7.035 1.00 0.00 C ATOM 672 CG ARG A 76 2.348 24.032 7.930 1.00 0.00 C ATOM 673 CD ARG A 76 3.035 25.304 7.416 1.00 0.00 C ATOM 674 NE ARG A 76 3.321 26.230 8.526 1.00 0.00 N ATOM 675 CZ ARG A 76 3.680 27.503 8.439 1.00 0.00 C ATOM 676 NH1 ARG A 76 3.698 28.146 7.292 1.00 0.00 N ATOM 677 NH2 ARG A 76 4.030 28.158 9.522 1.00 0.00 N ATOM 0 H ARG A 76 0.190 22.679 7.003 1.00 0.00 H new ATOM 0 HA ARG A 76 2.029 23.727 5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.378 21.906 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.685 22.770 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.273 24.203 7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.694 23.820 8.942 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.963 25.041 6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.397 25.796 6.682 1.00 0.00 H new ATOM 0 HE ARG A 76 3.233 25.848 9.468 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.430 27.665 6.433 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.980 29.126 7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.025 27.687 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.307 29.138 9.458 1.00 0.00 H new ATOM 691 N LYS A 77 3.394 21.848 4.103 1.00 0.00 N ATOM 692 CA LYS A 77 4.047 20.804 3.309 1.00 0.00 C ATOM 693 C LYS A 77 4.339 19.569 4.165 1.00 0.00 C ATOM 694 O LYS A 77 4.581 19.654 5.370 1.00 0.00 O ATOM 695 CB LYS A 77 5.351 21.325 2.685 1.00 0.00 C ATOM 696 CG LYS A 77 5.116 22.027 1.340 1.00 0.00 C ATOM 697 CD LYS A 77 6.437 22.530 0.738 1.00 0.00 C ATOM 698 CE LYS A 77 6.975 23.776 1.454 1.00 0.00 C ATOM 699 NZ LYS A 77 6.182 24.983 1.115 1.00 0.00 N ATOM 0 H LYS A 77 3.866 22.751 4.058 1.00 0.00 H new ATOM 0 HA LYS A 77 3.363 20.522 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.829 22.020 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.040 20.493 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.636 21.337 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.434 22.866 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.182 21.736 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.288 22.758 -0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.953 23.616 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.017 23.935 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.641 25.824 1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.125 25.082 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.223 24.890 1.507 1.00 0.00 H new ATOM 713 N THR A 78 4.373 18.423 3.494 1.00 0.00 N ATOM 714 CA THR A 78 4.583 17.106 4.086 1.00 0.00 C ATOM 715 C THR A 78 5.883 16.486 3.568 1.00 0.00 C ATOM 716 O THR A 78 6.365 16.864 2.498 1.00 0.00 O ATOM 717 CB THR A 78 3.384 16.183 3.801 1.00 0.00 C ATOM 718 OG1 THR A 78 2.704 16.537 2.623 1.00 0.00 O ATOM 719 CG2 THR A 78 2.368 16.244 4.940 1.00 0.00 C ATOM 0 H THR A 78 4.250 18.384 2.482 1.00 0.00 H new ATOM 0 HA THR A 78 4.668 17.224 5.166 1.00 0.00 H new ATOM 0 HB THR A 78 3.800 15.181 3.697 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.866 16.032 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.530 15.584 4.716 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.843 15.926 5.868 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.005 17.266 5.050 1.00 0.00 H new ATOM 727 N PRO A 79 6.477 15.540 4.319 1.00 0.00 N ATOM 728 CA PRO A 79 7.715 14.887 3.914 1.00 0.00 C ATOM 729 C PRO A 79 7.493 13.965 2.707 1.00 0.00 C ATOM 730 O PRO A 79 6.415 13.393 2.521 1.00 0.00 O ATOM 731 CB PRO A 79 8.196 14.124 5.156 1.00 0.00 C ATOM 732 CG PRO A 79 6.918 13.867 5.945 1.00 0.00 C ATOM 733 CD PRO A 79 6.035 15.066 5.622 1.00 0.00 C ATOM 0 HA PRO A 79 8.466 15.604 3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.693 13.192 4.885 1.00 0.00 H new ATOM 0 HB3 PRO A 79 8.911 14.710 5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.446 12.932 5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.117 13.795 7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 79 4.983 14.783 5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.139 15.844 6.378 1.00 0.00 H new ATOM 741 N ILE A 80 8.559 13.753 1.927 1.00 0.00 N ATOM 742 CA ILE A 80 8.573 12.850 0.767 1.00 0.00 C ATOM 743 C ILE A 80 8.033 11.457 1.104 1.00 0.00 C ATOM 744 O ILE A 80 7.290 10.886 0.312 1.00 0.00 O ATOM 745 CB ILE A 80 9.986 12.749 0.145 1.00 0.00 C ATOM 746 CG1 ILE A 80 11.079 12.420 1.195 1.00 0.00 C ATOM 747 CG2 ILE A 80 10.299 14.045 -0.620 1.00 0.00 C ATOM 748 CD1 ILE A 80 12.477 12.195 0.614 1.00 0.00 C ATOM 0 H ILE A 80 9.455 14.213 2.087 1.00 0.00 H new ATOM 0 HA ILE A 80 7.902 13.289 0.028 1.00 0.00 H new ATOM 0 HB ILE A 80 9.992 11.912 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.127 13.235 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.780 11.526 1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.294 13.977 -1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.562 14.188 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.263 14.891 0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.175 11.971 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.450 11.359 -0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.803 13.094 0.092 1.00 0.00 H new ATOM 760 N PHE A 81 8.362 10.936 2.292 1.00 0.00 N ATOM 761 CA PHE A 81 7.928 9.625 2.765 1.00 0.00 C ATOM 762 C PHE A 81 6.409 9.556 2.963 1.00 0.00 C ATOM 763 O PHE A 81 5.797 8.539 2.654 1.00 0.00 O ATOM 764 CB PHE A 81 8.671 9.287 4.065 1.00 0.00 C ATOM 765 CG PHE A 81 8.829 7.797 4.291 1.00 0.00 C ATOM 766 CD1 PHE A 81 9.889 7.111 3.669 1.00 0.00 C ATOM 767 CD2 PHE A 81 7.915 7.089 5.095 1.00 0.00 C ATOM 768 CE1 PHE A 81 10.037 5.726 3.849 1.00 0.00 C ATOM 769 CE2 PHE A 81 8.062 5.700 5.272 1.00 0.00 C ATOM 770 CZ PHE A 81 9.122 5.019 4.649 1.00 0.00 C ATOM 0 H PHE A 81 8.951 11.429 2.963 1.00 0.00 H new ATOM 0 HA PHE A 81 8.173 8.885 2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 81 9.657 9.751 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 81 8.132 9.721 4.907 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.591 7.651 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.101 7.612 5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.854 5.204 3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.360 5.157 5.887 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.234 3.953 4.785 1.00 0.00 H new ATOM 780 N ILE A 82 5.786 10.649 3.427 1.00 0.00 N ATOM 781 CA ILE A 82 4.329 10.768 3.536 1.00 0.00 C ATOM 782 C ILE A 82 3.727 10.753 2.134 1.00 0.00 C ATOM 783 O ILE A 82 2.883 9.901 1.867 1.00 0.00 O ATOM 784 CB ILE A 82 3.933 12.013 4.369 1.00 0.00 C ATOM 785 CG1 ILE A 82 3.816 11.717 5.882 1.00 0.00 C ATOM 786 CG2 ILE A 82 2.605 12.653 3.924 1.00 0.00 C ATOM 787 CD1 ILE A 82 4.890 10.810 6.507 1.00 0.00 C ATOM 0 H ILE A 82 6.286 11.481 3.739 1.00 0.00 H new ATOM 0 HA ILE A 82 3.918 9.917 4.080 1.00 0.00 H new ATOM 0 HB ILE A 82 4.752 12.708 4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.826 12.668 6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.842 11.261 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.390 13.519 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.684 12.969 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.799 11.925 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.687 10.686 7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.873 9.836 6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.872 11.265 6.375 1.00 0.00 H new ATOM 799 N ILE A 83 4.178 11.652 1.242 1.00 0.00 N ATOM 800 CA ILE A 83 3.629 11.753 -0.116 1.00 0.00 C ATOM 801 C ILE A 83 3.801 10.437 -0.883 1.00 0.00 C ATOM 802 O ILE A 83 2.856 9.979 -1.518 1.00 0.00 O ATOM 803 CB ILE A 83 4.204 12.964 -0.884 1.00 0.00 C ATOM 804 CG1 ILE A 83 3.892 14.309 -0.187 1.00 0.00 C ATOM 805 CG2 ILE A 83 3.667 12.986 -2.331 1.00 0.00 C ATOM 806 CD1 ILE A 83 2.395 14.619 -0.020 1.00 0.00 C ATOM 0 H ILE A 83 4.923 12.319 1.441 1.00 0.00 H new ATOM 0 HA ILE A 83 2.558 11.932 -0.025 1.00 0.00 H new ATOM 0 HB ILE A 83 5.288 12.846 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.360 14.309 0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.353 15.114 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.081 13.845 -2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.961 12.069 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.580 13.060 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.276 15.581 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.920 14.657 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.927 13.839 0.581 1.00 0.00 H new ATOM 818 N ASN A 84 4.969 9.793 -0.786 1.00 0.00 N ATOM 819 CA ASN A 84 5.236 8.482 -1.371 1.00 0.00 C ATOM 820 C ASN A 84 4.361 7.368 -0.773 1.00 0.00 C ATOM 821 O ASN A 84 3.835 6.555 -1.531 1.00 0.00 O ATOM 822 CB ASN A 84 6.729 8.165 -1.221 1.00 0.00 C ATOM 823 CG ASN A 84 7.068 6.772 -1.730 1.00 0.00 C ATOM 824 OD1 ASN A 84 7.107 5.809 -0.983 1.00 0.00 O ATOM 825 ND2 ASN A 84 7.306 6.625 -3.017 1.00 0.00 N ATOM 0 H ASN A 84 5.770 10.180 -0.287 1.00 0.00 H new ATOM 0 HA ASN A 84 4.972 8.522 -2.428 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.314 8.904 -1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.014 8.247 -0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.524 5.702 -3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.272 7.434 -3.638 1.00 0.00 H new ATOM 832 N GLN A 85 4.196 7.318 0.557 1.00 0.00 N ATOM 833 CA GLN A 85 3.318 6.334 1.194 1.00 0.00 C ATOM 834 C GLN A 85 1.880 6.485 0.703 1.00 0.00 C ATOM 835 O GLN A 85 1.317 5.524 0.171 1.00 0.00 O ATOM 836 CB GLN A 85 3.361 6.436 2.727 1.00 0.00 C ATOM 837 CG GLN A 85 4.486 5.596 3.350 1.00 0.00 C ATOM 838 CD GLN A 85 4.204 5.353 4.828 1.00 0.00 C ATOM 839 OE1 GLN A 85 3.882 4.249 5.242 1.00 0.00 O ATOM 840 NE2 GLN A 85 4.252 6.381 5.654 1.00 0.00 N ATOM 0 H GLN A 85 4.661 7.949 1.210 1.00 0.00 H new ATOM 0 HA GLN A 85 3.688 5.349 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.492 7.480 3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.404 6.112 3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.571 4.643 2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.440 6.110 3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.521 7.302 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.020 6.255 6.639 1.00 0.00 H new ATOM 849 N VAL A 86 1.296 7.681 0.877 1.00 0.00 N ATOM 850 CA VAL A 86 -0.087 7.943 0.476 1.00 0.00 C ATOM 851 C VAL A 86 -0.277 7.711 -1.023 1.00 0.00 C ATOM 852 O VAL A 86 -1.235 7.035 -1.388 1.00 0.00 O ATOM 853 CB VAL A 86 -0.597 9.335 0.906 1.00 0.00 C ATOM 854 CG1 VAL A 86 -0.504 9.546 2.423 1.00 0.00 C ATOM 855 CG2 VAL A 86 0.084 10.509 0.201 1.00 0.00 C ATOM 0 H VAL A 86 1.767 8.483 1.296 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.704 7.224 1.015 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.642 9.331 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.874 10.540 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.106 8.794 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.535 9.455 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.337 11.446 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.154 10.487 0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.079 10.432 -0.874 1.00 0.00 H new ATOM 865 N SER A 87 0.625 8.211 -1.886 1.00 0.00 N ATOM 866 CA SER A 87 0.509 8.070 -3.342 1.00 0.00 C ATOM 867 C SER A 87 0.392 6.606 -3.754 1.00 0.00 C ATOM 868 O SER A 87 -0.627 6.235 -4.332 1.00 0.00 O ATOM 869 CB SER A 87 1.638 8.785 -4.098 1.00 0.00 C ATOM 870 OG SER A 87 2.895 8.168 -3.925 1.00 0.00 O ATOM 0 H SER A 87 1.455 8.724 -1.590 1.00 0.00 H new ATOM 0 HA SER A 87 -0.416 8.569 -3.630 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.396 8.812 -5.160 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.697 9.819 -3.758 1.00 0.00 H new ATOM 0 HG SER A 87 3.575 8.663 -4.428 1.00 0.00 H new ATOM 876 N LEU A 88 1.380 5.772 -3.399 1.00 0.00 N ATOM 877 CA LEU A 88 1.354 4.326 -3.627 1.00 0.00 C ATOM 878 C LEU A 88 0.027 3.716 -3.157 1.00 0.00 C ATOM 879 O LEU A 88 -0.663 3.078 -3.952 1.00 0.00 O ATOM 880 CB LEU A 88 2.577 3.664 -2.960 1.00 0.00 C ATOM 881 CG LEU A 88 3.745 3.475 -3.949 1.00 0.00 C ATOM 882 CD1 LEU A 88 5.059 3.225 -3.199 1.00 0.00 C ATOM 883 CD2 LEU A 88 3.471 2.306 -4.914 1.00 0.00 C ATOM 0 H LEU A 88 2.232 6.092 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 88 1.419 4.133 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.908 4.277 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.287 2.696 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 88 3.835 4.394 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.869 3.095 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.278 4.077 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.965 2.325 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.311 2.196 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.345 1.386 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.563 2.508 -5.482 1.00 0.00 H new ATOM 895 N PHE A 89 -0.359 3.954 -1.899 1.00 0.00 N ATOM 896 CA PHE A 89 -1.609 3.445 -1.326 1.00 0.00 C ATOM 897 C PHE A 89 -2.864 3.827 -2.131 1.00 0.00 C ATOM 898 O PHE A 89 -3.701 2.961 -2.400 1.00 0.00 O ATOM 899 CB PHE A 89 -1.732 3.899 0.137 1.00 0.00 C ATOM 900 CG PHE A 89 -1.558 2.771 1.131 1.00 0.00 C ATOM 901 CD1 PHE A 89 -0.295 2.180 1.331 1.00 0.00 C ATOM 902 CD2 PHE A 89 -2.675 2.290 1.835 1.00 0.00 C ATOM 903 CE1 PHE A 89 -0.155 1.112 2.237 1.00 0.00 C ATOM 904 CE2 PHE A 89 -2.533 1.232 2.746 1.00 0.00 C ATOM 905 CZ PHE A 89 -1.273 0.641 2.948 1.00 0.00 C ATOM 0 H PHE A 89 0.192 4.510 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.557 2.357 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.985 4.667 0.336 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.709 4.358 0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.565 2.546 0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.646 2.736 1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.812 0.654 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.392 0.871 3.292 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.164 -0.174 3.648 1.00 0.00 H new ATOM 915 N LEU A 90 -2.983 5.099 -2.540 1.00 0.00 N ATOM 916 CA LEU A 90 -4.078 5.602 -3.380 1.00 0.00 C ATOM 917 C LEU A 90 -4.219 4.782 -4.674 1.00 0.00 C ATOM 918 O LEU A 90 -5.336 4.414 -5.050 1.00 0.00 O ATOM 919 CB LEU A 90 -3.836 7.080 -3.740 1.00 0.00 C ATOM 920 CG LEU A 90 -3.955 8.100 -2.589 1.00 0.00 C ATOM 921 CD1 LEU A 90 -3.077 9.336 -2.870 1.00 0.00 C ATOM 922 CD2 LEU A 90 -5.415 8.526 -2.410 1.00 0.00 C ATOM 0 H LEU A 90 -2.307 5.821 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.001 5.506 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.838 7.167 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.545 7.361 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.608 7.626 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.173 10.045 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.035 9.029 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.401 9.809 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.487 9.246 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.776 8.984 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.023 7.652 -2.177 1.00 0.00 H new ATOM 934 N ILE A 91 -3.094 4.481 -5.342 1.00 0.00 N ATOM 935 CA ILE A 91 -3.081 3.642 -6.547 1.00 0.00 C ATOM 936 C ILE A 91 -3.560 2.225 -6.228 1.00 0.00 C ATOM 937 O ILE A 91 -4.447 1.736 -6.925 1.00 0.00 O ATOM 938 CB ILE A 91 -1.693 3.628 -7.229 1.00 0.00 C ATOM 939 CG1 ILE A 91 -1.327 5.041 -7.751 1.00 0.00 C ATOM 940 CG2 ILE A 91 -1.661 2.616 -8.390 1.00 0.00 C ATOM 941 CD1 ILE A 91 0.028 5.542 -7.239 1.00 0.00 C ATOM 0 H ILE A 91 -2.171 4.812 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.778 4.083 -7.260 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.958 3.325 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.313 5.026 -8.841 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.104 5.744 -7.451 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.674 2.625 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.874 1.617 -8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.412 2.889 -9.131 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.224 6.536 -7.641 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.011 5.588 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.814 4.859 -7.561 1.00 0.00 H new ATOM 953 N ILE A 92 -3.011 1.581 -5.186 1.00 0.00 N ATOM 954 CA ILE A 92 -3.416 0.221 -4.789 1.00 0.00 C ATOM 955 C ILE A 92 -4.934 0.137 -4.587 1.00 0.00 C ATOM 956 O ILE A 92 -5.561 -0.780 -5.120 1.00 0.00 O ATOM 957 CB ILE A 92 -2.645 -0.277 -3.541 1.00 0.00 C ATOM 958 CG1 ILE A 92 -1.110 -0.279 -3.713 1.00 0.00 C ATOM 959 CG2 ILE A 92 -3.107 -1.690 -3.138 1.00 0.00 C ATOM 960 CD1 ILE A 92 -0.568 -1.029 -4.937 1.00 0.00 C ATOM 0 H ILE A 92 -2.280 1.983 -4.599 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.150 -0.449 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.880 0.440 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.770 0.755 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.665 -0.716 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.551 -2.018 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.172 -1.673 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.925 -2.381 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.520 -0.962 -4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.866 -2.076 -4.884 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.972 -0.583 -5.846 1.00 0.00 H new ATOM 972 N LEU A 93 -5.524 1.116 -3.885 1.00 0.00 N ATOM 973 CA LEU A 93 -6.974 1.276 -3.765 1.00 0.00 C ATOM 974 C LEU A 93 -7.641 1.357 -5.145 1.00 0.00 C ATOM 975 O LEU A 93 -8.454 0.489 -5.458 1.00 0.00 O ATOM 976 CB LEU A 93 -7.295 2.481 -2.858 1.00 0.00 C ATOM 977 CG LEU A 93 -8.714 3.076 -3.000 1.00 0.00 C ATOM 978 CD1 LEU A 93 -9.829 2.042 -2.785 1.00 0.00 C ATOM 979 CD2 LEU A 93 -8.901 4.235 -2.019 1.00 0.00 C ATOM 0 H LEU A 93 -4.996 1.827 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.398 0.393 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.152 2.178 -1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.570 3.269 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.796 3.430 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.800 2.525 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.732 1.244 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.748 1.622 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.905 4.646 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.766 3.874 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.166 5.012 -2.229 1.00 0.00 H new ATOM 991 N HIS A 94 -7.328 2.378 -5.954 1.00 0.00 N ATOM 992 CA HIS A 94 -7.978 2.587 -7.252 1.00 0.00 C ATOM 993 C HIS A 94 -7.883 1.343 -8.146 1.00 0.00 C ATOM 994 O HIS A 94 -8.908 0.864 -8.629 1.00 0.00 O ATOM 995 CB HIS A 94 -7.414 3.843 -7.929 1.00 0.00 C ATOM 996 CG HIS A 94 -7.935 4.113 -9.325 1.00 0.00 C ATOM 997 ND1 HIS A 94 -7.235 4.766 -10.313 1.00 0.00 N ATOM 998 CD2 HIS A 94 -9.153 3.763 -9.853 1.00 0.00 C ATOM 999 CE1 HIS A 94 -8.007 4.794 -11.414 1.00 0.00 C ATOM 1000 NE2 HIS A 94 -9.194 4.216 -11.175 1.00 0.00 N ATOM 0 H HIS A 94 -6.621 3.078 -5.728 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.042 2.751 -7.083 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.638 4.706 -7.302 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.328 3.755 -7.974 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.940 3.232 -9.338 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.712 5.223 -12.360 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -9.972 4.125 -11.828 1.00 0.00 H new ATOM 1008 N SER A 95 -6.680 0.787 -8.318 1.00 0.00 N ATOM 1009 CA SER A 95 -6.450 -0.442 -9.078 1.00 0.00 C ATOM 1010 C SER A 95 -7.291 -1.612 -8.559 1.00 0.00 C ATOM 1011 O SER A 95 -7.992 -2.245 -9.350 1.00 0.00 O ATOM 1012 CB SER A 95 -4.959 -0.794 -9.057 1.00 0.00 C ATOM 1013 OG SER A 95 -4.239 0.075 -9.908 1.00 0.00 O ATOM 0 H SER A 95 -5.827 1.185 -7.927 1.00 0.00 H new ATOM 0 HA SER A 95 -6.765 -0.261 -10.106 1.00 0.00 H new ATOM 0 HB2 SER A 95 -4.575 -0.719 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.817 -1.827 -9.376 1.00 0.00 H new ATOM 0 HG SER A 95 -3.288 -0.159 -9.885 1.00 0.00 H new ATOM 1019 N ALA A 96 -7.265 -1.888 -7.247 1.00 0.00 N ATOM 1020 CA ALA A 96 -8.081 -2.941 -6.650 1.00 0.00 C ATOM 1021 C ALA A 96 -9.580 -2.716 -6.903 1.00 0.00 C ATOM 1022 O ALA A 96 -10.248 -3.624 -7.402 1.00 0.00 O ATOM 1023 CB ALA A 96 -7.761 -3.056 -5.155 1.00 0.00 C ATOM 0 H ALA A 96 -6.680 -1.388 -6.578 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.833 -3.888 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.371 -3.843 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.706 -3.299 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.977 -2.108 -4.663 1.00 0.00 H new ATOM 1029 N LEU A 97 -10.100 -1.513 -6.604 1.00 0.00 N ATOM 1030 CA LEU A 97 -11.497 -1.133 -6.860 1.00 0.00 C ATOM 1031 C LEU A 97 -11.875 -1.408 -8.324 1.00 0.00 C ATOM 1032 O LEU A 97 -12.938 -1.973 -8.583 1.00 0.00 O ATOM 1033 CB LEU A 97 -11.778 0.314 -6.364 1.00 0.00 C ATOM 1034 CG LEU A 97 -12.100 1.385 -7.431 1.00 0.00 C ATOM 1035 CD1 LEU A 97 -13.545 1.266 -7.948 1.00 0.00 C ATOM 1036 CD2 LEU A 97 -11.860 2.810 -6.911 1.00 0.00 C ATOM 0 H LEU A 97 -9.553 -0.768 -6.172 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.166 -1.763 -6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -12.614 0.274 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.908 0.651 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.415 1.197 -8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.729 2.037 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.691 0.283 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -14.240 1.393 -7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -12.099 3.529 -7.695 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -12.496 2.993 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.814 2.921 -6.624 1.00 0.00 H new ATOM 1048 N TYR A 98 -10.988 -1.065 -9.267 1.00 0.00 N ATOM 1049 CA TYR A 98 -11.207 -1.253 -10.695 1.00 0.00 C ATOM 1050 C TYR A 98 -11.378 -2.735 -11.038 1.00 0.00 C ATOM 1051 O TYR A 98 -12.418 -3.122 -11.574 1.00 0.00 O ATOM 1052 CB TYR A 98 -10.065 -0.601 -11.488 1.00 0.00 C ATOM 1053 CG TYR A 98 -10.489 -0.138 -12.863 1.00 0.00 C ATOM 1054 CD1 TYR A 98 -11.157 1.095 -13.000 1.00 0.00 C ATOM 1055 CD2 TYR A 98 -10.213 -0.923 -13.998 1.00 0.00 C ATOM 1056 CE1 TYR A 98 -11.546 1.554 -14.271 1.00 0.00 C ATOM 1057 CE2 TYR A 98 -10.593 -0.464 -15.274 1.00 0.00 C ATOM 1058 CZ TYR A 98 -11.255 0.775 -15.414 1.00 0.00 C ATOM 1059 OH TYR A 98 -11.589 1.222 -16.655 1.00 0.00 O ATOM 0 H TYR A 98 -10.085 -0.643 -9.049 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.137 -0.760 -10.980 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.680 0.251 -10.927 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.246 -1.314 -11.587 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.371 1.690 -12.125 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.712 -1.874 -13.891 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.064 2.496 -14.373 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.377 -1.061 -16.148 1.00 0.00 H new ATOM 0 HH TYR A 98 -11.315 0.562 -17.325 1.00 0.00 H new ATOM 1069 N PHE A 99 -10.406 -3.583 -10.671 1.00 0.00 N ATOM 1070 CA PHE A 99 -10.494 -5.026 -10.915 1.00 0.00 C ATOM 1071 C PHE A 99 -11.763 -5.638 -10.309 1.00 0.00 C ATOM 1072 O PHE A 99 -12.425 -6.438 -10.970 1.00 0.00 O ATOM 1073 CB PHE A 99 -9.248 -5.744 -10.379 1.00 0.00 C ATOM 1074 CG PHE A 99 -7.931 -5.298 -10.986 1.00 0.00 C ATOM 1075 CD1 PHE A 99 -7.767 -5.244 -12.385 1.00 0.00 C ATOM 1076 CD2 PHE A 99 -6.859 -4.939 -10.148 1.00 0.00 C ATOM 1077 CE1 PHE A 99 -6.553 -4.802 -12.938 1.00 0.00 C ATOM 1078 CE2 PHE A 99 -5.642 -4.503 -10.700 1.00 0.00 C ATOM 1079 CZ PHE A 99 -5.492 -4.428 -12.095 1.00 0.00 C ATOM 0 H PHE A 99 -9.548 -3.291 -10.203 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.547 -5.165 -11.995 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.200 -5.597 -9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.364 -6.814 -10.550 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.577 -5.543 -13.034 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -6.972 -4.999 -9.076 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.435 -4.750 -14.010 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.823 -4.226 -10.053 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.561 -4.083 -12.520 1.00 0.00 H new ATOM 1089 N LYS A 100 -12.131 -5.239 -9.083 1.00 0.00 N ATOM 1090 CA LYS A 100 -13.356 -5.696 -8.410 1.00 0.00 C ATOM 1091 C LYS A 100 -14.612 -5.263 -9.171 1.00 0.00 C ATOM 1092 O LYS A 100 -15.479 -6.095 -9.425 1.00 0.00 O ATOM 1093 CB LYS A 100 -13.399 -5.189 -6.962 1.00 0.00 C ATOM 1094 CG LYS A 100 -12.215 -5.678 -6.102 1.00 0.00 C ATOM 1095 CD LYS A 100 -11.923 -4.702 -4.951 1.00 0.00 C ATOM 1096 CE LYS A 100 -12.788 -4.966 -3.716 1.00 0.00 C ATOM 1097 NZ LYS A 100 -12.091 -5.854 -2.760 1.00 0.00 N ATOM 0 H LYS A 100 -11.582 -4.584 -8.526 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.338 -6.786 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -13.408 -4.099 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.331 -5.513 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -12.439 -6.665 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.328 -5.784 -6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.871 -4.777 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -12.090 -3.681 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.031 -4.021 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.731 -5.421 -4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -12.698 -6.017 -1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.881 -6.763 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.203 -5.407 -2.455 1.00 0.00 H new ATOM 1111 N TYR A 101 -14.710 -3.985 -9.551 1.00 0.00 N ATOM 1112 CA TYR A 101 -15.841 -3.445 -10.311 1.00 0.00 C ATOM 1113 C TYR A 101 -16.028 -4.162 -11.660 1.00 0.00 C ATOM 1114 O TYR A 101 -17.156 -4.469 -12.051 1.00 0.00 O ATOM 1115 CB TYR A 101 -15.655 -1.929 -10.486 1.00 0.00 C ATOM 1116 CG TYR A 101 -16.874 -1.227 -11.053 1.00 0.00 C ATOM 1117 CD1 TYR A 101 -18.045 -1.128 -10.276 1.00 0.00 C ATOM 1118 CD2 TYR A 101 -16.847 -0.689 -12.355 1.00 0.00 C ATOM 1119 CE1 TYR A 101 -19.200 -0.527 -10.809 1.00 0.00 C ATOM 1120 CE2 TYR A 101 -17.999 -0.086 -12.894 1.00 0.00 C ATOM 1121 CZ TYR A 101 -19.185 -0.020 -12.127 1.00 0.00 C ATOM 1122 OH TYR A 101 -20.315 0.510 -12.669 1.00 0.00 O ATOM 0 H TYR A 101 -13.997 -3.288 -9.336 1.00 0.00 H new ATOM 0 HA TYR A 101 -16.758 -3.626 -9.750 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -15.409 -1.488 -9.520 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -14.805 -1.750 -11.144 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -18.056 -1.515 -9.268 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -15.941 -0.739 -12.940 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -20.097 -0.453 -10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -17.977 0.326 -13.892 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.129 0.813 -13.582 1.00 0.00 H new ATOM 1132 N LEU A 102 -14.920 -4.506 -12.331 1.00 0.00 N ATOM 1133 CA LEU A 102 -14.926 -5.308 -13.552 1.00 0.00 C ATOM 1134 C LEU A 102 -15.339 -6.767 -13.296 1.00 0.00 C ATOM 1135 O LEU A 102 -16.286 -7.244 -13.924 1.00 0.00 O ATOM 1136 CB LEU A 102 -13.553 -5.218 -14.243 1.00 0.00 C ATOM 1137 CG LEU A 102 -13.166 -3.813 -14.757 1.00 0.00 C ATOM 1138 CD1 LEU A 102 -11.797 -3.898 -15.440 1.00 0.00 C ATOM 1139 CD2 LEU A 102 -14.197 -3.224 -15.725 1.00 0.00 C ATOM 0 H LEU A 102 -13.985 -4.229 -12.033 1.00 0.00 H new ATOM 0 HA LEU A 102 -15.683 -4.896 -14.220 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.789 -5.554 -13.542 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -13.541 -5.911 -15.084 1.00 0.00 H new ATOM 0 HG LEU A 102 -13.131 -3.144 -13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.512 -2.912 -15.808 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.054 -4.247 -14.723 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.850 -4.596 -16.276 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.868 -2.237 -16.050 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -14.297 -3.877 -16.592 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -15.160 -3.138 -15.222 1.00 0.00 H new ATOM 1151 N LEU A 103 -14.665 -7.482 -12.380 1.00 0.00 N ATOM 1152 CA LEU A 103 -14.982 -8.886 -12.061 1.00 0.00 C ATOM 1153 C LEU A 103 -16.436 -9.045 -11.575 1.00 0.00 C ATOM 1154 O LEU A 103 -17.089 -10.035 -11.902 1.00 0.00 O ATOM 1155 CB LEU A 103 -13.920 -9.494 -11.106 1.00 0.00 C ATOM 1156 CG LEU A 103 -14.293 -9.528 -9.605 1.00 0.00 C ATOM 1157 CD1 LEU A 103 -15.106 -10.788 -9.250 1.00 0.00 C ATOM 1158 CD2 LEU A 103 -13.068 -9.463 -8.688 1.00 0.00 C ATOM 0 H LEU A 103 -13.886 -7.105 -11.840 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.925 -9.473 -12.978 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.711 -10.513 -11.430 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.995 -8.928 -11.217 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.900 -8.638 -9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -15.349 -10.777 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -16.027 -10.803 -9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.518 -11.677 -9.478 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.391 -9.490 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.418 -10.314 -8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.523 -8.538 -8.875 1.00 0.00 H new ATOM 1170 N SER A 104 -16.955 -8.045 -10.851 1.00 0.00 N ATOM 1171 CA SER A 104 -18.339 -7.973 -10.390 1.00 0.00 C ATOM 1172 C SER A 104 -19.324 -8.149 -11.554 1.00 0.00 C ATOM 1173 O SER A 104 -20.178 -9.029 -11.499 1.00 0.00 O ATOM 1174 CB SER A 104 -18.543 -6.656 -9.626 1.00 0.00 C ATOM 1175 OG SER A 104 -19.910 -6.360 -9.454 1.00 0.00 O ATOM 0 H SER A 104 -16.401 -7.239 -10.563 1.00 0.00 H new ATOM 0 HA SER A 104 -18.544 -8.796 -9.706 1.00 0.00 H new ATOM 0 HB2 SER A 104 -18.059 -6.722 -8.651 1.00 0.00 H new ATOM 0 HB3 SER A 104 -18.060 -5.843 -10.167 1.00 0.00 H new ATOM 0 HG SER A 104 -20.003 -5.517 -8.963 1.00 0.00 H new ATOM 1181 N ASN A 105 -19.164 -7.381 -12.641 1.00 0.00 N ATOM 1182 CA ASN A 105 -20.031 -7.483 -13.822 1.00 0.00 C ATOM 1183 C ASN A 105 -19.834 -8.776 -14.637 1.00 0.00 C ATOM 1184 O ASN A 105 -20.784 -9.240 -15.275 1.00 0.00 O ATOM 1185 CB ASN A 105 -19.827 -6.244 -14.712 1.00 0.00 C ATOM 1186 CG ASN A 105 -20.879 -5.176 -14.452 1.00 0.00 C ATOM 1187 OD1 ASN A 105 -21.668 -4.834 -15.317 1.00 0.00 O ATOM 1188 ND2 ASN A 105 -20.938 -4.640 -13.249 1.00 0.00 N ATOM 0 H ASN A 105 -18.433 -6.675 -12.726 1.00 0.00 H new ATOM 0 HA ASN A 105 -21.057 -7.526 -13.457 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -18.836 -5.828 -14.532 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.863 -6.541 -15.760 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.646 -3.936 -13.038 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.276 -4.929 -12.529 1.00 0.00 H new ATOM 1195 N TYR A 106 -18.627 -9.362 -14.617 1.00 0.00 N ATOM 1196 CA TYR A 106 -18.353 -10.653 -15.261 1.00 0.00 C ATOM 1197 C TYR A 106 -19.170 -11.811 -14.665 1.00 0.00 C ATOM 1198 O TYR A 106 -19.451 -12.776 -15.379 1.00 0.00 O ATOM 1199 CB TYR A 106 -16.850 -10.985 -15.200 1.00 0.00 C ATOM 1200 CG TYR A 106 -16.047 -10.451 -16.369 1.00 0.00 C ATOM 1201 CD1 TYR A 106 -16.272 -10.983 -17.653 1.00 0.00 C ATOM 1202 CD2 TYR A 106 -15.075 -9.447 -16.185 1.00 0.00 C ATOM 1203 CE1 TYR A 106 -15.554 -10.491 -18.758 1.00 0.00 C ATOM 1204 CE2 TYR A 106 -14.354 -8.950 -17.288 1.00 0.00 C ATOM 1205 CZ TYR A 106 -14.606 -9.462 -18.581 1.00 0.00 C ATOM 1206 OH TYR A 106 -13.952 -8.963 -19.665 1.00 0.00 O ATOM 0 H TYR A 106 -17.815 -8.954 -14.154 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.662 -10.545 -16.301 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -16.437 -10.581 -14.276 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -16.730 -12.067 -15.156 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -16.998 -11.771 -17.790 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -14.883 -9.058 -15.196 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -15.729 -10.901 -19.742 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -13.610 -8.180 -17.146 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.333 -8.259 -19.378 1.00 0.00 H new ATOM 1216 N SER A 107 -19.570 -11.714 -13.389 1.00 0.00 N ATOM 1217 CA SER A 107 -20.352 -12.734 -12.686 1.00 0.00 C ATOM 1218 C SER A 107 -21.715 -12.201 -12.209 1.00 0.00 C ATOM 1219 O SER A 107 -22.197 -11.167 -12.673 1.00 0.00 O ATOM 1220 CB SER A 107 -19.502 -13.333 -11.557 1.00 0.00 C ATOM 1221 OG SER A 107 -19.994 -14.615 -11.214 1.00 0.00 O ATOM 0 H SER A 107 -19.353 -10.905 -12.807 1.00 0.00 H new ATOM 0 HA SER A 107 -20.600 -13.536 -13.381 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.461 -13.405 -11.872 1.00 0.00 H new ATOM 0 HB3 SER A 107 -19.526 -12.679 -10.685 1.00 0.00 H new ATOM 0 HG SER A 107 -19.447 -14.994 -10.494 1.00 0.00 H new ATOM 1227 N SER A 108 -22.395 -12.957 -11.340 1.00 0.00 N ATOM 1228 CA SER A 108 -23.656 -12.554 -10.710 1.00 0.00 C ATOM 1229 C SER A 108 -23.421 -12.064 -9.279 1.00 0.00 C ATOM 1230 O SER A 108 -22.908 -12.804 -8.436 1.00 0.00 O ATOM 1231 CB SER A 108 -24.654 -13.710 -10.716 1.00 0.00 C ATOM 1232 OG SER A 108 -25.924 -13.241 -10.311 1.00 0.00 O ATOM 0 H SER A 108 -22.078 -13.882 -11.050 1.00 0.00 H new ATOM 0 HA SER A 108 -24.073 -11.731 -11.290 1.00 0.00 H new ATOM 0 HB2 SER A 108 -24.717 -14.145 -11.714 1.00 0.00 H new ATOM 0 HB3 SER A 108 -24.316 -14.500 -10.045 1.00 0.00 H new ATOM 0 HG SER A 108 -26.564 -13.983 -10.317 1.00 0.00 H new ATOM 1238 N VAL A 109 -23.783 -10.802 -9.029 1.00 0.00 N ATOM 1239 CA VAL A 109 -23.690 -10.111 -7.740 1.00 0.00 C ATOM 1240 C VAL A 109 -24.574 -8.853 -7.785 1.00 0.00 C ATOM 1241 O VAL A 109 -24.516 -8.068 -8.738 1.00 0.00 O ATOM 1242 CB VAL A 109 -22.213 -9.809 -7.390 1.00 0.00 C ATOM 1243 CG1 VAL A 109 -21.474 -9.007 -8.464 1.00 0.00 C ATOM 1244 CG2 VAL A 109 -22.061 -9.101 -6.040 1.00 0.00 C ATOM 0 H VAL A 109 -24.169 -10.204 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 109 -24.062 -10.748 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 109 -21.749 -10.794 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -20.446 -8.835 -8.147 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -21.476 -9.565 -9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -21.973 -8.049 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -21.005 -8.913 -5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -22.600 -8.154 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -22.470 -9.732 -5.250 1.00 0.00 H new ATOM 1254 N THR A 110 -25.444 -8.701 -6.780 1.00 0.00 N ATOM 1255 CA THR A 110 -26.254 -7.496 -6.543 1.00 0.00 C ATOM 1256 C THR A 110 -25.539 -6.557 -5.573 1.00 0.00 C ATOM 1257 O THR A 110 -25.458 -5.362 -5.928 1.00 0.00 O ATOM 1258 CB THR A 110 -27.656 -7.862 -6.035 1.00 0.00 C ATOM 1259 OG1 THR A 110 -28.287 -8.640 -7.026 1.00 0.00 O ATOM 1260 CG2 THR A 110 -28.537 -6.633 -5.804 1.00 0.00 C ATOM 0 H THR A 110 -25.610 -9.432 -6.089 1.00 0.00 H new ATOM 0 HA THR A 110 -26.378 -6.974 -7.492 1.00 0.00 H new ATOM 0 HB THR A 110 -27.537 -8.387 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 110 -29.186 -8.888 -6.724 1.00 0.00 H new ATOM 0 HG21 THR A 110 -29.516 -6.950 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 110 -28.071 -5.985 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 110 -28.653 -6.087 -6.740 1.00 0.00 H new TER 1268 THR A 110