USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 ASN : amide:sc= 0.108 K(o=-2,f=-2.7) USER MOD Set 1.2: A 43 CYS SG : rot -138:sc= -2.14 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 31:sc= 0.145 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-1.4) USER MOD Single : A 19 GLN : amide:sc= -0.118 K(o=-0.12,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 170:sc= -3.67 USER MOD Single : A 33 MET CE :methyl -166:sc= -1.46 (180deg=-1.77) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.2!) USER MOD Single : A 38 ASN : amide:sc= -0.78 X(o=-0.78,f=-0.32) USER MOD Single : A 39 ASN : amide:sc= -1.01 X(o=-1,f=-1.2) USER MOD Single : A 44 CYS SG : rot 47:sc= 0.217 USER MOD Single : A 48 SER OG : rot 68:sc= 0.427 USER MOD Single : A 49 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.4) USER MOD Single : A 51 SER OG : rot -79:sc= 0.0413 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0.0078) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 11:sc= 0.475 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.723 13.101 -19.406 1.00 0.00 N ATOM 2 CA GLY A 1 9.039 12.881 -19.982 1.00 0.00 C ATOM 3 C GLY A 1 9.465 11.419 -19.832 1.00 0.00 C ATOM 4 O GLY A 1 8.644 10.558 -19.522 1.00 0.00 O ATOM 0 H1 GLY A 1 7.103 13.541 -20.116 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.318 12.191 -19.108 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.806 13.729 -18.582 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.028 13.154 -21.037 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.767 13.528 -19.493 1.00 0.00 H new ATOM 8 N SER A 2 10.750 11.184 -20.058 1.00 0.00 N ATOM 9 CA SER A 2 11.295 9.842 -19.952 1.00 0.00 C ATOM 10 C SER A 2 12.769 9.906 -19.547 1.00 0.00 C ATOM 11 O SER A 2 13.378 10.975 -19.576 1.00 0.00 O ATOM 12 CB SER A 2 11.139 9.078 -21.268 1.00 0.00 C ATOM 13 OG SER A 2 11.767 9.753 -22.355 1.00 0.00 O ATOM 0 H SER A 2 11.429 11.901 -20.314 1.00 0.00 H new ATOM 0 HA SER A 2 10.737 9.306 -19.184 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.569 8.082 -21.162 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.079 8.946 -21.487 1.00 0.00 H new ATOM 0 HG SER A 2 11.647 9.233 -23.177 1.00 0.00 H new ATOM 19 N SER A 3 13.300 8.750 -19.179 1.00 0.00 N ATOM 20 CA SER A 3 14.691 8.661 -18.768 1.00 0.00 C ATOM 21 C SER A 3 15.230 7.257 -19.045 1.00 0.00 C ATOM 22 O SER A 3 16.202 7.095 -19.781 1.00 0.00 O ATOM 23 CB SER A 3 14.851 9.009 -17.287 1.00 0.00 C ATOM 24 OG SER A 3 15.095 10.399 -17.089 1.00 0.00 O ATOM 0 H SER A 3 12.792 7.866 -19.157 1.00 0.00 H new ATOM 0 HA SER A 3 15.266 9.384 -19.347 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.950 8.718 -16.747 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.675 8.433 -16.866 1.00 0.00 H new ATOM 0 HG SER A 3 14.654 10.913 -17.797 1.00 0.00 H new ATOM 30 N GLY A 4 14.575 6.276 -18.441 1.00 0.00 N ATOM 31 CA GLY A 4 14.977 4.890 -18.613 1.00 0.00 C ATOM 32 C GLY A 4 14.734 4.086 -17.334 1.00 0.00 C ATOM 33 O GLY A 4 14.283 4.634 -16.328 1.00 0.00 O ATOM 0 H GLY A 4 13.769 6.414 -17.832 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.420 4.446 -19.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.033 4.844 -18.881 1.00 0.00 H new ATOM 37 N SER A 5 15.043 2.801 -17.413 1.00 0.00 N ATOM 38 CA SER A 5 14.865 1.916 -16.275 1.00 0.00 C ATOM 39 C SER A 5 13.379 1.807 -15.925 1.00 0.00 C ATOM 40 O SER A 5 12.807 2.726 -15.340 1.00 0.00 O ATOM 41 CB SER A 5 15.661 2.408 -15.065 1.00 0.00 C ATOM 42 OG SER A 5 15.956 1.352 -14.155 1.00 0.00 O ATOM 0 H SER A 5 15.416 2.351 -18.249 1.00 0.00 H new ATOM 0 HA SER A 5 15.241 0.930 -16.546 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.591 2.865 -15.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.095 3.183 -14.549 1.00 0.00 H new ATOM 0 HG SER A 5 16.466 1.706 -13.397 1.00 0.00 H new ATOM 48 N SER A 6 12.797 0.677 -16.297 1.00 0.00 N ATOM 49 CA SER A 6 11.390 0.436 -16.030 1.00 0.00 C ATOM 50 C SER A 6 11.219 -0.878 -15.265 1.00 0.00 C ATOM 51 O SER A 6 11.975 -1.826 -15.477 1.00 0.00 O ATOM 52 CB SER A 6 10.580 0.404 -17.328 1.00 0.00 C ATOM 53 OG SER A 6 9.688 1.511 -17.428 1.00 0.00 O ATOM 0 H SER A 6 13.275 -0.083 -16.782 1.00 0.00 H new ATOM 0 HA SER A 6 11.013 1.256 -15.419 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.260 0.408 -18.180 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.012 -0.525 -17.378 1.00 0.00 H new ATOM 0 HG SER A 6 9.191 1.455 -18.271 1.00 0.00 H new ATOM 59 N GLY A 7 10.223 -0.893 -14.392 1.00 0.00 N ATOM 60 CA GLY A 7 9.944 -2.076 -13.596 1.00 0.00 C ATOM 61 C GLY A 7 10.589 -1.970 -12.212 1.00 0.00 C ATOM 62 O GLY A 7 11.259 -0.983 -11.910 1.00 0.00 O ATOM 0 H GLY A 7 9.599 -0.105 -14.218 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.866 -2.202 -13.490 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.320 -2.961 -14.109 1.00 0.00 H new ATOM 66 N GLN A 8 10.366 -3.000 -11.410 1.00 0.00 N ATOM 67 CA GLN A 8 10.918 -3.035 -10.066 1.00 0.00 C ATOM 68 C GLN A 8 10.249 -1.974 -9.190 1.00 0.00 C ATOM 69 O GLN A 8 9.905 -0.895 -9.669 1.00 0.00 O ATOM 70 CB GLN A 8 12.436 -2.848 -10.092 1.00 0.00 C ATOM 71 CG GLN A 8 13.139 -3.960 -9.311 1.00 0.00 C ATOM 72 CD GLN A 8 14.659 -3.809 -9.390 1.00 0.00 C ATOM 73 OE1 GLN A 8 15.187 -2.860 -9.947 1.00 0.00 O ATOM 74 NE2 GLN A 8 15.332 -4.794 -8.803 1.00 0.00 N ATOM 0 H GLN A 8 9.811 -3.817 -11.665 1.00 0.00 H new ATOM 0 HA GLN A 8 10.713 -4.015 -9.635 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.788 -2.845 -11.124 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.694 -1.879 -9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.821 -3.934 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.845 -4.931 -9.710 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.828 -5.559 -8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.352 -4.784 -8.801 1.00 0.00 H new ATOM 83 N ILE A 9 10.084 -2.318 -7.921 1.00 0.00 N ATOM 84 CA ILE A 9 9.463 -1.409 -6.973 1.00 0.00 C ATOM 85 C ILE A 9 9.997 0.006 -7.206 1.00 0.00 C ATOM 86 O ILE A 9 11.167 0.184 -7.543 1.00 0.00 O ATOM 87 CB ILE A 9 9.657 -1.912 -5.542 1.00 0.00 C ATOM 88 CG1 ILE A 9 8.603 -2.961 -5.182 1.00 0.00 C ATOM 89 CG2 ILE A 9 9.670 -0.748 -4.548 1.00 0.00 C ATOM 90 CD1 ILE A 9 7.249 -2.305 -4.904 1.00 0.00 C ATOM 0 H ILE A 9 10.370 -3.214 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 9 8.385 -1.373 -7.129 1.00 0.00 H new ATOM 0 HB ILE A 9 10.630 -2.399 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.504 -3.677 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.927 -3.521 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.809 -1.134 -3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.487 -0.069 -4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.723 -0.211 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.518 -3.073 -4.651 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.346 -1.608 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.917 -1.766 -5.791 1.00 0.00 H new ATOM 102 N ASP A 10 9.114 0.976 -7.016 1.00 0.00 N ATOM 103 CA ASP A 10 9.483 2.369 -7.201 1.00 0.00 C ATOM 104 C ASP A 10 9.502 3.072 -5.842 1.00 0.00 C ATOM 105 O ASP A 10 8.453 3.436 -5.312 1.00 0.00 O ATOM 106 CB ASP A 10 8.471 3.093 -8.093 1.00 0.00 C ATOM 107 CG ASP A 10 8.815 4.549 -8.411 1.00 0.00 C ATOM 108 OD1 ASP A 10 9.305 5.232 -7.486 1.00 0.00 O ATOM 109 OD2 ASP A 10 8.581 4.947 -9.573 1.00 0.00 O ATOM 0 H ASP A 10 8.145 0.825 -6.736 1.00 0.00 H new ATOM 0 HA ASP A 10 10.465 2.398 -7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.378 2.544 -9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.495 3.064 -7.608 1.00 0.00 H new ATOM 114 N PHE A 11 10.707 3.241 -5.316 1.00 0.00 N ATOM 115 CA PHE A 11 10.876 3.893 -4.029 1.00 0.00 C ATOM 116 C PHE A 11 10.339 5.325 -4.065 1.00 0.00 C ATOM 117 O PHE A 11 9.494 5.695 -3.251 1.00 0.00 O ATOM 118 CB PHE A 11 12.379 3.931 -3.742 1.00 0.00 C ATOM 119 CG PHE A 11 13.050 2.557 -3.752 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.291 1.429 -3.707 1.00 0.00 C ATOM 121 CD2 PHE A 11 14.406 2.462 -3.806 1.00 0.00 C ATOM 122 CE1 PHE A 11 12.914 0.153 -3.716 1.00 0.00 C ATOM 123 CE2 PHE A 11 15.028 1.186 -3.816 1.00 0.00 C ATOM 124 CZ PHE A 11 14.269 0.058 -3.771 1.00 0.00 C ATOM 0 H PHE A 11 11.575 2.938 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 11 10.328 3.348 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 11 12.864 4.566 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.541 4.396 -2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.214 1.504 -3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 11 15.009 3.357 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.311 -0.742 -3.679 1.00 0.00 H new ATOM 0 HE2 PHE A 11 16.105 1.111 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 11 14.743 -0.913 -3.779 1.00 0.00 H new ATOM 134 N GLN A 12 10.851 6.092 -5.016 1.00 0.00 N ATOM 135 CA GLN A 12 10.433 7.475 -5.168 1.00 0.00 C ATOM 136 C GLN A 12 8.909 7.581 -5.086 1.00 0.00 C ATOM 137 O GLN A 12 8.380 8.524 -4.500 1.00 0.00 O ATOM 138 CB GLN A 12 10.954 8.063 -6.481 1.00 0.00 C ATOM 139 CG GLN A 12 10.924 9.593 -6.447 1.00 0.00 C ATOM 140 CD GLN A 12 11.436 10.181 -7.763 1.00 0.00 C ATOM 141 OE1 GLN A 12 10.684 10.678 -8.585 1.00 0.00 O ATOM 142 NE2 GLN A 12 12.755 10.098 -7.916 1.00 0.00 N ATOM 0 H GLN A 12 11.552 5.782 -5.689 1.00 0.00 H new ATOM 0 HA GLN A 12 10.862 8.056 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 12 11.973 7.720 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.347 7.702 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.906 9.936 -6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.536 9.954 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.327 9.669 -7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 12 13.194 10.463 -8.761 1.00 0.00 H new ATOM 151 N VAL A 13 8.247 6.600 -5.681 1.00 0.00 N ATOM 152 CA VAL A 13 6.794 6.572 -5.682 1.00 0.00 C ATOM 153 C VAL A 13 6.296 6.117 -4.309 1.00 0.00 C ATOM 154 O VAL A 13 5.250 6.566 -3.844 1.00 0.00 O ATOM 155 CB VAL A 13 6.289 5.688 -6.825 1.00 0.00 C ATOM 156 CG1 VAL A 13 4.783 5.444 -6.705 1.00 0.00 C ATOM 157 CG2 VAL A 13 6.639 6.296 -8.184 1.00 0.00 C ATOM 0 H VAL A 13 8.689 5.819 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 13 6.392 7.570 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 13 6.792 4.724 -6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.450 4.813 -7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.569 4.947 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.256 6.397 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.269 5.648 -8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.177 7.279 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.721 6.395 -8.271 1.00 0.00 H new ATOM 167 N LEU A 14 7.069 5.230 -3.699 1.00 0.00 N ATOM 168 CA LEU A 14 6.720 4.709 -2.388 1.00 0.00 C ATOM 169 C LEU A 14 6.869 5.820 -1.346 1.00 0.00 C ATOM 170 O LEU A 14 5.919 6.138 -0.632 1.00 0.00 O ATOM 171 CB LEU A 14 7.540 3.457 -2.074 1.00 0.00 C ATOM 172 CG LEU A 14 8.012 3.310 -0.626 1.00 0.00 C ATOM 173 CD1 LEU A 14 6.913 2.708 0.251 1.00 0.00 C ATOM 174 CD2 LEU A 14 9.311 2.504 -0.551 1.00 0.00 C ATOM 0 H LEU A 14 7.936 4.859 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 14 5.677 4.392 -2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.943 2.582 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.415 3.448 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 14 8.227 4.304 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.275 2.614 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.037 3.357 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.642 1.723 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.624 2.415 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.147 1.510 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.088 3.013 -1.121 1.00 0.00 H new ATOM 186 N HIS A 15 8.069 6.379 -1.292 1.00 0.00 N ATOM 187 CA HIS A 15 8.355 7.447 -0.350 1.00 0.00 C ATOM 188 C HIS A 15 7.169 8.413 -0.293 1.00 0.00 C ATOM 189 O HIS A 15 6.636 8.684 0.782 1.00 0.00 O ATOM 190 CB HIS A 15 9.670 8.145 -0.702 1.00 0.00 C ATOM 191 CG HIS A 15 10.037 9.272 0.234 1.00 0.00 C ATOM 192 ND1 HIS A 15 9.314 10.450 0.307 1.00 0.00 N ATOM 193 CD2 HIS A 15 11.056 9.389 1.133 1.00 0.00 C ATOM 194 CE1 HIS A 15 9.882 11.233 1.213 1.00 0.00 C ATOM 195 NE2 HIS A 15 10.961 10.574 1.723 1.00 0.00 N ATOM 0 H HIS A 15 8.854 6.112 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 15 8.488 7.029 0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 15 10.473 7.408 -0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.601 8.537 -1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.812 8.644 1.331 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.549 12.220 1.497 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.592 10.933 2.440 1.00 0.00 H new ATOM 203 N ASP A 16 6.791 8.905 -1.463 1.00 0.00 N ATOM 204 CA ASP A 16 5.678 9.834 -1.560 1.00 0.00 C ATOM 205 C ASP A 16 4.496 9.293 -0.752 1.00 0.00 C ATOM 206 O ASP A 16 3.832 10.044 -0.039 1.00 0.00 O ATOM 207 CB ASP A 16 5.222 9.998 -3.011 1.00 0.00 C ATOM 208 CG ASP A 16 4.520 11.321 -3.323 1.00 0.00 C ATOM 209 OD1 ASP A 16 3.355 11.461 -2.892 1.00 0.00 O ATOM 210 OD2 ASP A 16 5.164 12.164 -3.985 1.00 0.00 O ATOM 0 H ASP A 16 7.236 8.678 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 16 6.009 10.798 -1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.091 9.903 -3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.547 9.179 -3.259 1.00 0.00 H new ATOM 215 N LEU A 17 4.270 7.995 -0.891 1.00 0.00 N ATOM 216 CA LEU A 17 3.180 7.346 -0.183 1.00 0.00 C ATOM 217 C LEU A 17 3.525 7.257 1.305 1.00 0.00 C ATOM 218 O LEU A 17 2.732 7.658 2.155 1.00 0.00 O ATOM 219 CB LEU A 17 2.857 5.993 -0.821 1.00 0.00 C ATOM 220 CG LEU A 17 2.352 6.037 -2.265 1.00 0.00 C ATOM 221 CD1 LEU A 17 2.662 4.728 -2.994 1.00 0.00 C ATOM 222 CD2 LEU A 17 0.862 6.382 -2.315 1.00 0.00 C ATOM 0 H LEU A 17 4.823 7.375 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 17 2.268 7.937 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.754 5.375 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.105 5.495 -0.209 1.00 0.00 H new ATOM 0 HG LEU A 17 2.884 6.831 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.293 4.786 -4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.740 4.564 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.175 3.900 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.529 6.407 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.295 5.627 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.699 7.358 -1.858 1.00 0.00 H new ATOM 234 N ARG A 18 4.710 6.728 1.574 1.00 0.00 N ATOM 235 CA ARG A 18 5.170 6.582 2.944 1.00 0.00 C ATOM 236 C ARG A 18 4.780 7.810 3.769 1.00 0.00 C ATOM 237 O ARG A 18 4.572 7.709 4.977 1.00 0.00 O ATOM 238 CB ARG A 18 6.688 6.400 2.999 1.00 0.00 C ATOM 239 CG ARG A 18 7.110 5.101 2.308 1.00 0.00 C ATOM 240 CD ARG A 18 7.688 4.106 3.317 1.00 0.00 C ATOM 241 NE ARG A 18 8.932 3.508 2.782 1.00 0.00 N ATOM 242 CZ ARG A 18 10.066 4.191 2.577 1.00 0.00 C ATOM 243 NH1 ARG A 18 10.121 5.500 2.861 1.00 0.00 N ATOM 244 NH2 ARG A 18 11.146 3.566 2.089 1.00 0.00 N ATOM 0 H ARG A 18 5.365 6.395 0.866 1.00 0.00 H new ATOM 0 HA ARG A 18 4.694 5.694 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.177 7.247 2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.019 6.388 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.251 4.657 1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.852 5.318 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.894 4.611 4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.959 3.323 3.527 1.00 0.00 H new ATOM 0 HE ARG A 18 8.925 2.514 2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.299 5.976 3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.985 6.020 2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.105 2.570 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.009 4.086 1.933 1.00 0.00 H new ATOM 258 N GLN A 19 4.694 8.940 3.084 1.00 0.00 N ATOM 259 CA GLN A 19 4.333 10.186 3.739 1.00 0.00 C ATOM 260 C GLN A 19 2.831 10.219 4.026 1.00 0.00 C ATOM 261 O GLN A 19 2.415 10.506 5.148 1.00 0.00 O ATOM 262 CB GLN A 19 4.756 11.391 2.896 1.00 0.00 C ATOM 263 CG GLN A 19 6.070 11.984 3.409 1.00 0.00 C ATOM 264 CD GLN A 19 6.033 13.513 3.373 1.00 0.00 C ATOM 265 OE1 GLN A 19 5.018 14.141 3.627 1.00 0.00 O ATOM 266 NE2 GLN A 19 7.192 14.075 3.044 1.00 0.00 N ATOM 0 H GLN A 19 4.868 9.019 2.082 1.00 0.00 H new ATOM 0 HA GLN A 19 4.866 10.242 4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.871 11.089 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.975 12.151 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.252 11.645 4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.899 11.622 2.800 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.003 13.490 2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.270 15.091 2.992 1.00 0.00 H new ATOM 275 N LYS A 20 2.056 9.921 2.993 1.00 0.00 N ATOM 276 CA LYS A 20 0.609 9.912 3.120 1.00 0.00 C ATOM 277 C LYS A 20 0.186 8.736 4.003 1.00 0.00 C ATOM 278 O LYS A 20 -0.805 8.823 4.726 1.00 0.00 O ATOM 279 CB LYS A 20 -0.051 9.914 1.740 1.00 0.00 C ATOM 280 CG LYS A 20 -0.017 11.311 1.118 1.00 0.00 C ATOM 281 CD LYS A 20 -0.390 11.260 -0.365 1.00 0.00 C ATOM 282 CE LYS A 20 -0.763 12.650 -0.885 1.00 0.00 C ATOM 283 NZ LYS A 20 -2.229 12.844 -0.840 1.00 0.00 N ATOM 0 H LYS A 20 2.404 9.684 2.064 1.00 0.00 H new ATOM 0 HA LYS A 20 0.265 10.821 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.462 9.209 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.084 9.575 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.708 11.966 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.979 11.740 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.447 10.865 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.227 10.577 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.271 13.414 -0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.406 12.770 -1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.465 13.792 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.693 12.126 -1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.562 12.750 0.141 1.00 0.00 H new ATOM 297 N PHE A 21 0.958 7.663 3.914 1.00 0.00 N ATOM 298 CA PHE A 21 0.675 6.471 4.695 1.00 0.00 C ATOM 299 C PHE A 21 1.902 6.040 5.501 1.00 0.00 C ATOM 300 O PHE A 21 2.540 5.039 5.180 1.00 0.00 O ATOM 301 CB PHE A 21 0.316 5.362 3.704 1.00 0.00 C ATOM 302 CG PHE A 21 -0.778 5.749 2.706 1.00 0.00 C ATOM 303 CD1 PHE A 21 -2.085 5.534 3.013 1.00 0.00 C ATOM 304 CD2 PHE A 21 -0.442 6.308 1.513 1.00 0.00 C ATOM 305 CE1 PHE A 21 -3.100 5.893 2.087 1.00 0.00 C ATOM 306 CE2 PHE A 21 -1.457 6.667 0.587 1.00 0.00 C ATOM 307 CZ PHE A 21 -2.764 6.452 0.893 1.00 0.00 C ATOM 0 H PHE A 21 1.779 7.594 3.313 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.136 6.669 5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.212 5.077 3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.009 4.483 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.351 5.090 3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.596 6.479 1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.138 5.722 2.330 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.190 7.111 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.536 6.725 0.188 1.00 0.00 H new ATOM 317 N PRO A 22 2.203 6.839 6.560 1.00 0.00 N ATOM 318 CA PRO A 22 3.342 6.550 7.415 1.00 0.00 C ATOM 319 C PRO A 22 3.046 5.371 8.344 1.00 0.00 C ATOM 320 O PRO A 22 3.926 4.557 8.619 1.00 0.00 O ATOM 321 CB PRO A 22 3.609 7.845 8.165 1.00 0.00 C ATOM 322 CG PRO A 22 2.333 8.663 8.051 1.00 0.00 C ATOM 323 CD PRO A 22 1.470 8.033 6.970 1.00 0.00 C ATOM 0 HA PRO A 22 4.223 6.242 6.852 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.855 7.648 9.209 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.455 8.379 7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.802 8.677 9.003 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.564 9.698 7.800 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.481 7.779 7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.324 8.715 6.132 1.00 0.00 H new ATOM 331 N GLU A 23 1.804 5.317 8.801 1.00 0.00 N ATOM 332 CA GLU A 23 1.381 4.251 9.694 1.00 0.00 C ATOM 333 C GLU A 23 0.940 3.028 8.888 1.00 0.00 C ATOM 334 O GLU A 23 -0.109 2.445 9.161 1.00 0.00 O ATOM 335 CB GLU A 23 0.263 4.727 10.624 1.00 0.00 C ATOM 336 CG GLU A 23 -0.944 5.219 9.824 1.00 0.00 C ATOM 337 CD GLU A 23 -2.215 5.192 10.677 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.696 4.070 10.942 1.00 0.00 O ATOM 339 OE2 GLU A 23 -2.676 6.295 11.043 1.00 0.00 O ATOM 0 H GLU A 23 1.077 5.994 8.570 1.00 0.00 H new ATOM 0 HA GLU A 23 2.229 3.965 10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.040 3.912 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.633 5.530 11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.761 6.233 9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.080 4.593 8.942 1.00 0.00 H new ATOM 346 N VAL A 24 1.762 2.675 7.911 1.00 0.00 N ATOM 347 CA VAL A 24 1.470 1.532 7.063 1.00 0.00 C ATOM 348 C VAL A 24 2.731 0.678 6.913 1.00 0.00 C ATOM 349 O VAL A 24 3.838 1.208 6.835 1.00 0.00 O ATOM 350 CB VAL A 24 0.905 2.005 5.722 1.00 0.00 C ATOM 351 CG1 VAL A 24 0.752 0.835 4.748 1.00 0.00 C ATOM 352 CG2 VAL A 24 -0.424 2.737 5.914 1.00 0.00 C ATOM 0 H VAL A 24 2.631 3.161 7.688 1.00 0.00 H new ATOM 0 HA VAL A 24 0.705 0.904 7.519 1.00 0.00 H new ATOM 0 HB VAL A 24 1.615 2.710 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.349 1.199 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.725 0.376 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.073 0.095 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.803 3.062 4.945 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.145 2.065 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.272 3.606 6.554 1.00 0.00 H new ATOM 362 N PRO A 25 2.515 -0.664 6.877 1.00 0.00 N ATOM 363 CA PRO A 25 3.621 -1.597 6.738 1.00 0.00 C ATOM 364 C PRO A 25 4.151 -1.608 5.303 1.00 0.00 C ATOM 365 O PRO A 25 3.484 -2.101 4.395 1.00 0.00 O ATOM 366 CB PRO A 25 3.060 -2.940 7.175 1.00 0.00 C ATOM 367 CG PRO A 25 1.548 -2.805 7.098 1.00 0.00 C ATOM 368 CD PRO A 25 1.217 -1.328 6.967 1.00 0.00 C ATOM 0 HA PRO A 25 4.482 -1.323 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.414 -3.741 6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.379 -3.186 8.188 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.158 -3.360 6.245 1.00 0.00 H new ATOM 0 HG3 PRO A 25 1.082 -3.223 7.990 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.611 -1.135 6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.649 -0.972 7.826 1.00 0.00 H new ATOM 376 N GLU A 26 5.346 -1.059 5.143 1.00 0.00 N ATOM 377 CA GLU A 26 5.974 -1.000 3.834 1.00 0.00 C ATOM 378 C GLU A 26 5.734 -2.305 3.071 1.00 0.00 C ATOM 379 O GLU A 26 5.230 -2.289 1.949 1.00 0.00 O ATOM 380 CB GLU A 26 7.469 -0.702 3.955 1.00 0.00 C ATOM 381 CG GLU A 26 8.003 -0.046 2.681 1.00 0.00 C ATOM 382 CD GLU A 26 9.528 -0.150 2.608 1.00 0.00 C ATOM 383 OE1 GLU A 26 10.183 0.502 3.449 1.00 0.00 O ATOM 384 OE2 GLU A 26 10.005 -0.880 1.712 1.00 0.00 O ATOM 0 H GLU A 26 5.896 -0.651 5.899 1.00 0.00 H new ATOM 0 HA GLU A 26 5.520 -0.184 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.645 -0.045 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.013 -1.627 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.560 -0.525 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.705 1.002 2.655 1.00 0.00 H new ATOM 391 N VAL A 27 6.108 -3.404 3.711 1.00 0.00 N ATOM 392 CA VAL A 27 5.940 -4.714 3.107 1.00 0.00 C ATOM 393 C VAL A 27 4.599 -4.765 2.372 1.00 0.00 C ATOM 394 O VAL A 27 4.519 -5.270 1.253 1.00 0.00 O ATOM 395 CB VAL A 27 6.079 -5.803 4.172 1.00 0.00 C ATOM 396 CG1 VAL A 27 5.540 -5.322 5.521 1.00 0.00 C ATOM 397 CG2 VAL A 27 5.384 -7.093 3.732 1.00 0.00 C ATOM 0 H VAL A 27 6.526 -3.413 4.641 1.00 0.00 H new ATOM 0 HA VAL A 27 6.722 -4.897 2.370 1.00 0.00 H new ATOM 0 HB VAL A 27 7.140 -6.020 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.651 -6.115 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.099 -4.444 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.486 -5.064 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.498 -7.851 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.324 -6.898 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.834 -7.451 2.806 1.00 0.00 H new ATOM 407 N VAL A 28 3.579 -4.235 3.031 1.00 0.00 N ATOM 408 CA VAL A 28 2.246 -4.213 2.454 1.00 0.00 C ATOM 409 C VAL A 28 2.211 -3.211 1.298 1.00 0.00 C ATOM 410 O VAL A 28 1.681 -3.510 0.229 1.00 0.00 O ATOM 411 CB VAL A 28 1.211 -3.909 3.539 1.00 0.00 C ATOM 412 CG1 VAL A 28 -0.160 -3.622 2.924 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.129 -5.052 4.553 1.00 0.00 C ATOM 0 H VAL A 28 3.649 -3.818 3.959 1.00 0.00 H new ATOM 0 HA VAL A 28 1.991 -5.191 2.045 1.00 0.00 H new ATOM 0 HB VAL A 28 1.534 -3.013 4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.877 -3.409 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.088 -2.761 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.494 -4.491 2.357 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.386 -4.811 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.841 -5.971 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.101 -5.189 5.026 1.00 0.00 H new ATOM 423 N VAL A 29 2.783 -2.043 1.552 1.00 0.00 N ATOM 424 CA VAL A 29 2.824 -0.996 0.545 1.00 0.00 C ATOM 425 C VAL A 29 3.337 -1.580 -0.772 1.00 0.00 C ATOM 426 O VAL A 29 2.651 -1.520 -1.791 1.00 0.00 O ATOM 427 CB VAL A 29 3.666 0.179 1.047 1.00 0.00 C ATOM 428 CG1 VAL A 29 3.920 1.189 -0.073 1.00 0.00 C ATOM 429 CG2 VAL A 29 3.006 0.851 2.253 1.00 0.00 C ATOM 0 H VAL A 29 3.222 -1.799 2.440 1.00 0.00 H new ATOM 0 HA VAL A 29 1.823 -0.606 0.359 1.00 0.00 H new ATOM 0 HB VAL A 29 4.631 -0.213 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.520 2.014 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.453 0.701 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.968 1.573 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.625 1.683 2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.022 1.223 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.901 0.127 3.061 1.00 0.00 H new ATOM 439 N SER A 30 4.540 -2.132 -0.709 1.00 0.00 N ATOM 440 CA SER A 30 5.153 -2.727 -1.884 1.00 0.00 C ATOM 441 C SER A 30 4.129 -3.582 -2.632 1.00 0.00 C ATOM 442 O SER A 30 3.778 -3.282 -3.772 1.00 0.00 O ATOM 443 CB SER A 30 6.372 -3.570 -1.503 1.00 0.00 C ATOM 444 OG SER A 30 6.576 -4.652 -2.407 1.00 0.00 O ATOM 0 H SER A 30 5.107 -2.180 0.138 1.00 0.00 H new ATOM 0 HA SER A 30 5.492 -1.923 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.260 -2.938 -1.488 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.242 -3.960 -0.494 1.00 0.00 H new ATOM 0 HG SER A 30 7.364 -5.165 -2.131 1.00 0.00 H new ATOM 450 N ARG A 31 3.679 -4.632 -1.961 1.00 0.00 N ATOM 451 CA ARG A 31 2.702 -5.533 -2.548 1.00 0.00 C ATOM 452 C ARG A 31 1.587 -4.737 -3.229 1.00 0.00 C ATOM 453 O ARG A 31 1.119 -5.111 -4.303 1.00 0.00 O ATOM 454 CB ARG A 31 2.090 -6.450 -1.487 1.00 0.00 C ATOM 455 CG ARG A 31 1.974 -7.885 -2.003 1.00 0.00 C ATOM 456 CD ARG A 31 0.930 -8.671 -1.207 1.00 0.00 C ATOM 457 NE ARG A 31 1.443 -10.025 -0.898 1.00 0.00 N ATOM 458 CZ ARG A 31 1.639 -10.981 -1.815 1.00 0.00 C ATOM 459 NH1 ARG A 31 1.367 -10.739 -3.105 1.00 0.00 N ATOM 460 NH2 ARG A 31 2.108 -12.180 -1.443 1.00 0.00 N ATOM 0 H ARG A 31 3.973 -4.879 -1.016 1.00 0.00 H new ATOM 0 HA ARG A 31 3.219 -6.146 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.705 -6.432 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.104 -6.080 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.700 -7.875 -3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.942 -8.381 -1.930 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.692 -8.144 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.005 -8.745 -1.779 1.00 0.00 H new ATOM 0 HE ARG A 31 1.661 -10.243 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.011 -9.826 -3.389 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.516 -11.468 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.316 -12.364 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.257 -12.908 -2.141 1.00 0.00 H new ATOM 474 N CYS A 32 1.193 -3.654 -2.575 1.00 0.00 N ATOM 475 CA CYS A 32 0.142 -2.801 -3.104 1.00 0.00 C ATOM 476 C CYS A 32 0.641 -2.175 -4.407 1.00 0.00 C ATOM 477 O CYS A 32 -0.084 -2.139 -5.401 1.00 0.00 O ATOM 478 CB CYS A 32 -0.290 -1.741 -2.090 1.00 0.00 C ATOM 479 SG CYS A 32 -2.115 -1.702 -1.963 1.00 0.00 S ATOM 0 H CYS A 32 1.583 -3.348 -1.684 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.747 -3.398 -3.307 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.146 -1.960 -1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.082 -0.763 -2.393 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.464 -0.959 -0.955 1.00 0.00 H new ATOM 485 N MET A 33 1.876 -1.697 -4.362 1.00 0.00 N ATOM 486 CA MET A 33 2.481 -1.073 -5.527 1.00 0.00 C ATOM 487 C MET A 33 2.669 -2.089 -6.656 1.00 0.00 C ATOM 488 O MET A 33 2.190 -1.881 -7.769 1.00 0.00 O ATOM 489 CB MET A 33 3.837 -0.480 -5.142 1.00 0.00 C ATOM 490 CG MET A 33 3.663 0.780 -4.291 1.00 0.00 C ATOM 491 SD MET A 33 3.996 2.232 -5.274 1.00 0.00 S ATOM 492 CE MET A 33 5.775 2.126 -5.389 1.00 0.00 C ATOM 0 H MET A 33 2.475 -1.729 -3.537 1.00 0.00 H new ATOM 0 HA MET A 33 1.817 -0.284 -5.880 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.417 -1.219 -4.590 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.402 -0.240 -6.043 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.648 0.824 -3.895 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.338 0.747 -3.436 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.173 3.074 -5.751 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.191 1.910 -4.405 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.048 1.329 -6.081 1.00 0.00 H new ATOM 502 N LEU A 34 3.369 -3.165 -6.329 1.00 0.00 N ATOM 503 CA LEU A 34 3.627 -4.213 -7.302 1.00 0.00 C ATOM 504 C LEU A 34 2.308 -4.639 -7.949 1.00 0.00 C ATOM 505 O LEU A 34 2.300 -5.187 -9.050 1.00 0.00 O ATOM 506 CB LEU A 34 4.396 -5.367 -6.655 1.00 0.00 C ATOM 507 CG LEU A 34 5.903 -5.161 -6.490 1.00 0.00 C ATOM 508 CD1 LEU A 34 6.527 -6.299 -5.680 1.00 0.00 C ATOM 509 CD2 LEU A 34 6.584 -4.984 -7.849 1.00 0.00 C ATOM 0 H LEU A 34 3.765 -3.334 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 34 4.268 -3.841 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.966 -5.558 -5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.236 -6.264 -7.253 1.00 0.00 H new ATOM 0 HG LEU A 34 6.062 -4.241 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.599 -6.128 -5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.069 -6.335 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.358 -7.246 -6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.655 -4.839 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.417 -5.873 -8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.166 -4.114 -8.355 1.00 0.00 H new ATOM 521 N GLN A 35 1.223 -4.371 -7.237 1.00 0.00 N ATOM 522 CA GLN A 35 -0.100 -4.720 -7.728 1.00 0.00 C ATOM 523 C GLN A 35 -0.643 -3.606 -8.624 1.00 0.00 C ATOM 524 O GLN A 35 -1.443 -3.862 -9.524 1.00 0.00 O ATOM 525 CB GLN A 35 -1.056 -5.007 -6.569 1.00 0.00 C ATOM 526 CG GLN A 35 -0.994 -6.480 -6.159 1.00 0.00 C ATOM 527 CD GLN A 35 -2.398 -7.081 -6.061 1.00 0.00 C ATOM 528 OE1 GLN A 35 -2.932 -7.632 -7.009 1.00 0.00 O ATOM 529 NE2 GLN A 35 -2.962 -6.946 -4.864 1.00 0.00 N ATOM 0 H GLN A 35 1.233 -3.916 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.018 -5.630 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.799 -4.378 -5.717 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.074 -4.749 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.405 -7.039 -6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.487 -6.573 -5.199 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.459 -6.473 -4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.898 -7.315 -4.697 1.00 0.00 H new ATOM 538 N ASN A 36 -0.189 -2.392 -8.348 1.00 0.00 N ATOM 539 CA ASN A 36 -0.620 -1.238 -9.119 1.00 0.00 C ATOM 540 C ASN A 36 0.527 -0.775 -10.020 1.00 0.00 C ATOM 541 O ASN A 36 0.582 0.390 -10.411 1.00 0.00 O ATOM 542 CB ASN A 36 -1.000 -0.074 -8.202 1.00 0.00 C ATOM 543 CG ASN A 36 -2.270 -0.393 -7.410 1.00 0.00 C ATOM 544 OD1 ASN A 36 -3.374 -0.390 -7.929 1.00 0.00 O ATOM 545 ND2 ASN A 36 -2.052 -0.668 -6.127 1.00 0.00 N ATOM 0 H ASN A 36 0.473 -2.182 -7.601 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.489 -1.531 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.181 0.134 -7.514 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.154 0.827 -8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.835 -0.894 -5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.102 -0.653 -5.756 1.00 0.00 H new ATOM 552 N ASN A 37 1.415 -1.711 -10.322 1.00 0.00 N ATOM 553 CA ASN A 37 2.557 -1.413 -11.170 1.00 0.00 C ATOM 554 C ASN A 37 3.251 -0.149 -10.657 1.00 0.00 C ATOM 555 O ASN A 37 3.623 0.721 -11.443 1.00 0.00 O ATOM 556 CB ASN A 37 2.120 -1.159 -12.614 1.00 0.00 C ATOM 557 CG ASN A 37 3.239 -1.513 -13.596 1.00 0.00 C ATOM 558 OD1 ASN A 37 4.211 -2.169 -13.259 1.00 0.00 O ATOM 559 ND2 ASN A 37 3.049 -1.042 -14.825 1.00 0.00 N ATOM 0 H ASN A 37 1.367 -2.676 -9.995 1.00 0.00 H new ATOM 0 HA ASN A 37 3.230 -2.270 -11.143 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.233 -1.751 -12.839 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.843 -0.112 -12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.740 -1.223 -15.553 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.212 -0.500 -15.040 1.00 0.00 H new ATOM 566 N ASN A 38 3.405 -0.089 -9.343 1.00 0.00 N ATOM 567 CA ASN A 38 4.048 1.053 -8.716 1.00 0.00 C ATOM 568 C ASN A 38 3.353 2.338 -9.172 1.00 0.00 C ATOM 569 O ASN A 38 3.724 2.921 -10.189 1.00 0.00 O ATOM 570 CB ASN A 38 5.521 1.145 -9.117 1.00 0.00 C ATOM 571 CG ASN A 38 6.100 -0.244 -9.398 1.00 0.00 C ATOM 572 OD1 ASN A 38 6.408 -0.600 -10.523 1.00 0.00 O ATOM 573 ND2 ASN A 38 6.231 -1.004 -8.315 1.00 0.00 N ATOM 0 H ASN A 38 3.095 -0.813 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 38 3.976 0.929 -7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.622 1.771 -10.003 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.089 1.626 -8.321 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.609 -1.948 -8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.953 -0.643 -7.402 1.00 0.00 H new ATOM 580 N ASN A 39 2.356 2.741 -8.397 1.00 0.00 N ATOM 581 CA ASN A 39 1.606 3.945 -8.709 1.00 0.00 C ATOM 582 C ASN A 39 1.588 4.861 -7.484 1.00 0.00 C ATOM 583 O ASN A 39 1.850 4.416 -6.367 1.00 0.00 O ATOM 584 CB ASN A 39 0.158 3.614 -9.072 1.00 0.00 C ATOM 585 CG ASN A 39 -0.177 4.096 -10.485 1.00 0.00 C ATOM 586 OD1 ASN A 39 0.293 5.122 -10.947 1.00 0.00 O ATOM 587 ND2 ASN A 39 -1.014 3.299 -11.144 1.00 0.00 N ATOM 0 H ASN A 39 2.051 2.255 -7.554 1.00 0.00 H new ATOM 0 HA ASN A 39 2.088 4.432 -9.557 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.001 2.538 -9.004 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.517 4.082 -8.355 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.299 3.533 -12.095 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.371 2.454 -10.698 1.00 0.00 H new ATOM 594 N LEU A 40 1.277 6.125 -7.733 1.00 0.00 N ATOM 595 CA LEU A 40 1.222 7.107 -6.664 1.00 0.00 C ATOM 596 C LEU A 40 -0.210 7.194 -6.131 1.00 0.00 C ATOM 597 O LEU A 40 -0.505 6.691 -5.048 1.00 0.00 O ATOM 598 CB LEU A 40 1.784 8.448 -7.139 1.00 0.00 C ATOM 599 CG LEU A 40 2.544 9.266 -6.093 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.728 10.000 -6.724 1.00 0.00 C ATOM 601 CD2 LEU A 40 1.604 10.222 -5.355 1.00 0.00 C ATOM 0 H LEU A 40 1.061 6.491 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 40 1.855 6.800 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.451 8.262 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.958 9.053 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 40 2.950 8.578 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.250 10.574 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.412 9.275 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.366 10.675 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.170 10.791 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.147 10.907 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.825 9.650 -4.852 1.00 0.00 H new ATOM 613 N ASP A 41 -1.062 7.837 -6.917 1.00 0.00 N ATOM 614 CA ASP A 41 -2.455 7.996 -6.538 1.00 0.00 C ATOM 615 C ASP A 41 -3.127 6.623 -6.489 1.00 0.00 C ATOM 616 O ASP A 41 -3.727 6.257 -5.480 1.00 0.00 O ATOM 617 CB ASP A 41 -3.208 8.855 -7.556 1.00 0.00 C ATOM 618 CG ASP A 41 -4.003 10.018 -6.960 1.00 0.00 C ATOM 619 OD1 ASP A 41 -3.393 10.782 -6.181 1.00 0.00 O ATOM 620 OD2 ASP A 41 -5.204 10.116 -7.295 1.00 0.00 O ATOM 0 H ASP A 41 -0.814 8.254 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.485 8.482 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.491 9.255 -8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.892 8.215 -8.113 1.00 0.00 H new ATOM 625 N ALA A 42 -3.002 5.899 -7.592 1.00 0.00 N ATOM 626 CA ALA A 42 -3.589 4.573 -7.687 1.00 0.00 C ATOM 627 C ALA A 42 -3.391 3.835 -6.362 1.00 0.00 C ATOM 628 O ALA A 42 -4.324 3.226 -5.841 1.00 0.00 O ATOM 629 CB ALA A 42 -2.971 3.825 -8.870 1.00 0.00 C ATOM 0 H ALA A 42 -2.503 6.206 -8.427 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.662 4.640 -7.868 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.411 2.830 -8.942 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.166 4.375 -9.790 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.895 3.736 -8.722 1.00 0.00 H new ATOM 635 N CYS A 43 -2.170 3.915 -5.854 1.00 0.00 N ATOM 636 CA CYS A 43 -1.837 3.262 -4.600 1.00 0.00 C ATOM 637 C CYS A 43 -2.523 4.025 -3.465 1.00 0.00 C ATOM 638 O CYS A 43 -3.118 3.418 -2.575 1.00 0.00 O ATOM 639 CB CYS A 43 -0.323 3.171 -4.393 1.00 0.00 C ATOM 640 SG CYS A 43 0.134 1.485 -3.849 1.00 0.00 S ATOM 0 H CYS A 43 -1.399 4.422 -6.288 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.197 2.233 -4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.194 3.415 -5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -0.005 3.901 -3.649 1.00 0.00 H new ATOM 0 HG CYS A 43 1.026 1.560 -2.907 1.00 0.00 H new ATOM 646 N CYS A 44 -2.417 5.344 -3.532 1.00 0.00 N ATOM 647 CA CYS A 44 -3.020 6.196 -2.521 1.00 0.00 C ATOM 648 C CYS A 44 -4.422 5.663 -2.218 1.00 0.00 C ATOM 649 O CYS A 44 -4.686 5.192 -1.113 1.00 0.00 O ATOM 650 CB CYS A 44 -3.048 7.661 -2.960 1.00 0.00 C ATOM 651 SG CYS A 44 -3.788 8.694 -1.643 1.00 0.00 S ATOM 0 H CYS A 44 -1.922 5.844 -4.271 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.418 6.169 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.036 8.004 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.623 7.763 -3.880 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.257 8.383 -0.498 1.00 0.00 H new ATOM 657 N ALA A 45 -5.285 5.756 -3.220 1.00 0.00 N ATOM 658 CA ALA A 45 -6.653 5.289 -3.074 1.00 0.00 C ATOM 659 C ALA A 45 -6.651 3.921 -2.391 1.00 0.00 C ATOM 660 O ALA A 45 -7.081 3.794 -1.245 1.00 0.00 O ATOM 661 CB ALA A 45 -7.329 5.255 -4.446 1.00 0.00 C ATOM 0 H ALA A 45 -5.063 6.148 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.226 5.970 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.355 4.905 -4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.331 6.257 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.783 4.579 -5.104 1.00 0.00 H new ATOM 667 N VAL A 46 -6.161 2.930 -3.122 1.00 0.00 N ATOM 668 CA VAL A 46 -6.097 1.575 -2.600 1.00 0.00 C ATOM 669 C VAL A 46 -5.666 1.618 -1.133 1.00 0.00 C ATOM 670 O VAL A 46 -6.421 1.219 -0.248 1.00 0.00 O ATOM 671 CB VAL A 46 -5.171 0.723 -3.471 1.00 0.00 C ATOM 672 CG1 VAL A 46 -4.900 -0.633 -2.817 1.00 0.00 C ATOM 673 CG2 VAL A 46 -5.749 0.548 -4.877 1.00 0.00 C ATOM 0 H VAL A 46 -5.805 3.038 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.080 1.104 -2.636 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.220 1.247 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.240 -1.219 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.426 -0.481 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.841 -1.166 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.072 -0.061 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.719 0.056 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.868 1.525 -5.346 1.00 0.00 H new ATOM 683 N LEU A 47 -4.453 2.107 -0.920 1.00 0.00 N ATOM 684 CA LEU A 47 -3.912 2.207 0.425 1.00 0.00 C ATOM 685 C LEU A 47 -5.013 2.675 1.379 1.00 0.00 C ATOM 686 O LEU A 47 -5.386 1.954 2.303 1.00 0.00 O ATOM 687 CB LEU A 47 -2.668 3.098 0.437 1.00 0.00 C ATOM 688 CG LEU A 47 -1.387 2.468 -0.113 1.00 0.00 C ATOM 689 CD1 LEU A 47 -0.384 3.544 -0.535 1.00 0.00 C ATOM 690 CD2 LEU A 47 -0.783 1.485 0.892 1.00 0.00 C ATOM 0 H LEU A 47 -3.830 2.438 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.579 1.230 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.884 3.997 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.482 3.415 1.463 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.644 1.898 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.518 3.069 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.826 4.170 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.128 4.161 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.126 1.052 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.544 2.011 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.500 0.691 1.101 1.00 0.00 H new ATOM 702 N SER A 48 -5.501 3.880 1.123 1.00 0.00 N ATOM 703 CA SER A 48 -6.552 4.453 1.947 1.00 0.00 C ATOM 704 C SER A 48 -7.564 3.371 2.330 1.00 0.00 C ATOM 705 O SER A 48 -8.068 3.358 3.452 1.00 0.00 O ATOM 706 CB SER A 48 -7.253 5.604 1.224 1.00 0.00 C ATOM 707 OG SER A 48 -6.432 6.176 0.209 1.00 0.00 O ATOM 0 H SER A 48 -5.188 4.476 0.356 1.00 0.00 H new ATOM 0 HA SER A 48 -6.097 4.853 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.180 5.242 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.525 6.373 1.946 1.00 0.00 H new ATOM 0 HG SER A 48 -6.313 5.530 -0.518 1.00 0.00 H new ATOM 713 N GLN A 49 -7.831 2.491 1.376 1.00 0.00 N ATOM 714 CA GLN A 49 -8.775 1.409 1.600 1.00 0.00 C ATOM 715 C GLN A 49 -8.085 0.242 2.310 1.00 0.00 C ATOM 716 O GLN A 49 -8.515 -0.177 3.383 1.00 0.00 O ATOM 717 CB GLN A 49 -9.408 0.953 0.284 1.00 0.00 C ATOM 718 CG GLN A 49 -10.519 1.911 -0.150 1.00 0.00 C ATOM 719 CD GLN A 49 -11.735 1.794 0.771 1.00 0.00 C ATOM 720 OE1 GLN A 49 -11.907 0.828 1.496 1.00 0.00 O ATOM 721 NE2 GLN A 49 -12.568 2.829 0.702 1.00 0.00 N ATOM 0 H GLN A 49 -7.410 2.505 0.447 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.575 1.777 2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.644 0.900 -0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.814 -0.052 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.146 2.935 -0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.813 1.691 -1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.365 3.606 0.074 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.410 2.845 1.278 1.00 0.00 H new ATOM 730 N GLU A 50 -7.027 -0.249 1.681 1.00 0.00 N ATOM 731 CA GLU A 50 -6.274 -1.360 2.239 1.00 0.00 C ATOM 732 C GLU A 50 -5.954 -1.097 3.712 1.00 0.00 C ATOM 733 O GLU A 50 -6.194 -1.950 4.565 1.00 0.00 O ATOM 734 CB GLU A 50 -4.996 -1.613 1.437 1.00 0.00 C ATOM 735 CG GLU A 50 -5.319 -2.212 0.067 1.00 0.00 C ATOM 736 CD GLU A 50 -5.724 -3.682 0.192 1.00 0.00 C ATOM 737 OE1 GLU A 50 -4.911 -4.449 0.751 1.00 0.00 O ATOM 738 OE2 GLU A 50 -6.838 -4.005 -0.275 1.00 0.00 O ATOM 0 H GLU A 50 -6.673 0.102 0.791 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.888 -2.259 2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.451 -0.678 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.344 -2.289 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.126 -1.647 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.450 -2.125 -0.586 1.00 0.00 H new ATOM 745 N SER A 51 -5.418 0.088 3.966 1.00 0.00 N ATOM 746 CA SER A 51 -5.062 0.473 5.321 1.00 0.00 C ATOM 747 C SER A 51 -6.184 0.087 6.286 1.00 0.00 C ATOM 748 O SER A 51 -6.005 -0.786 7.134 1.00 0.00 O ATOM 749 CB SER A 51 -4.779 1.974 5.410 1.00 0.00 C ATOM 750 OG SER A 51 -5.884 2.754 4.960 1.00 0.00 O ATOM 0 H SER A 51 -5.222 0.794 3.256 1.00 0.00 H new ATOM 0 HA SER A 51 -4.152 -0.058 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.545 2.238 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.899 2.213 4.812 1.00 0.00 H new ATOM 0 HG SER A 51 -5.894 2.773 3.980 1.00 0.00 H new ATOM 756 N THR A 52 -7.317 0.755 6.125 1.00 0.00 N ATOM 757 CA THR A 52 -8.468 0.493 6.972 1.00 0.00 C ATOM 758 C THR A 52 -8.591 -1.006 7.255 1.00 0.00 C ATOM 759 O THR A 52 -8.823 -1.409 8.393 1.00 0.00 O ATOM 760 CB THR A 52 -9.702 1.086 6.290 1.00 0.00 C ATOM 761 OG1 THR A 52 -9.509 2.494 6.386 1.00 0.00 O ATOM 762 CG2 THR A 52 -10.988 0.831 7.080 1.00 0.00 C ATOM 0 H THR A 52 -7.462 1.478 5.420 1.00 0.00 H new ATOM 0 HA THR A 52 -8.358 0.968 7.947 1.00 0.00 H new ATOM 0 HB THR A 52 -9.801 0.664 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.264 2.957 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.833 1.273 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.145 -0.243 7.183 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.903 1.281 8.069 1.00 0.00 H new ATOM 770 N ARG A 53 -8.430 -1.790 6.199 1.00 0.00 N ATOM 771 CA ARG A 53 -8.520 -3.235 6.320 1.00 0.00 C ATOM 772 C ARG A 53 -7.673 -3.724 7.496 1.00 0.00 C ATOM 773 O ARG A 53 -8.129 -4.537 8.298 1.00 0.00 O ATOM 774 CB ARG A 53 -8.048 -3.925 5.038 1.00 0.00 C ATOM 775 CG ARG A 53 -9.012 -5.040 4.628 1.00 0.00 C ATOM 776 CD ARG A 53 -8.658 -5.590 3.245 1.00 0.00 C ATOM 777 NE ARG A 53 -9.167 -6.972 3.104 1.00 0.00 N ATOM 778 CZ ARG A 53 -8.535 -8.057 3.573 1.00 0.00 C ATOM 779 NH1 ARG A 53 -7.366 -7.926 4.216 1.00 0.00 N ATOM 780 NH2 ARG A 53 -9.072 -9.272 3.400 1.00 0.00 N ATOM 0 H ARG A 53 -8.238 -1.452 5.256 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.566 -3.489 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.970 -3.193 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.051 -4.339 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.977 -5.844 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.033 -4.659 4.621 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.088 -4.955 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.577 -5.576 3.105 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.054 -7.108 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.958 -7.001 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.885 -8.752 4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.962 -9.371 2.911 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.591 -10.098 3.757 1.00 0.00 H new ATOM 794 N TYR A 54 -6.455 -3.207 7.561 1.00 0.00 N ATOM 795 CA TYR A 54 -5.540 -3.580 8.626 1.00 0.00 C ATOM 796 C TYR A 54 -5.671 -2.632 9.820 1.00 0.00 C ATOM 797 O TYR A 54 -5.326 -2.992 10.944 1.00 0.00 O ATOM 798 CB TYR A 54 -4.133 -3.450 8.039 1.00 0.00 C ATOM 799 CG TYR A 54 -3.818 -4.474 6.946 1.00 0.00 C ATOM 800 CD1 TYR A 54 -4.487 -4.425 5.741 1.00 0.00 C ATOM 801 CD2 TYR A 54 -2.864 -5.447 7.167 1.00 0.00 C ATOM 802 CE1 TYR A 54 -4.190 -5.389 4.713 1.00 0.00 C ATOM 803 CE2 TYR A 54 -2.567 -6.410 6.139 1.00 0.00 C ATOM 804 CZ TYR A 54 -3.245 -6.334 4.962 1.00 0.00 C ATOM 805 OH TYR A 54 -2.964 -7.244 3.992 1.00 0.00 O ATOM 0 H TYR A 54 -6.081 -2.533 6.893 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.754 -4.589 8.979 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.013 -2.447 7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.404 -3.555 8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.233 -3.664 5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.341 -5.486 8.111 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.707 -5.362 3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.822 -7.176 6.299 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.268 -7.857 4.310 1.00 0.00 H new ATOM 815 N LEU A 55 -6.170 -1.438 9.534 1.00 0.00 N ATOM 816 CA LEU A 55 -6.350 -0.435 10.570 1.00 0.00 C ATOM 817 C LEU A 55 -7.573 -0.797 11.416 1.00 0.00 C ATOM 818 O LEU A 55 -7.789 -0.218 12.480 1.00 0.00 O ATOM 819 CB LEU A 55 -6.421 0.964 9.954 1.00 0.00 C ATOM 820 CG LEU A 55 -5.213 1.869 10.205 1.00 0.00 C ATOM 821 CD1 LEU A 55 -5.403 3.233 9.540 1.00 0.00 C ATOM 822 CD2 LEU A 55 -4.926 1.996 11.703 1.00 0.00 C ATOM 0 H LEU A 55 -6.455 -1.143 8.600 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.491 -0.420 11.240 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.554 0.859 8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.310 1.464 10.338 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.338 1.407 9.747 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.530 3.857 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.523 3.100 8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.292 3.716 9.947 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.063 2.644 11.854 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.794 2.424 12.205 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.717 1.010 12.118 1.00 0.00 H new ATOM 834 N TYR A 56 -8.339 -1.753 10.912 1.00 0.00 N ATOM 835 CA TYR A 56 -9.534 -2.199 11.609 1.00 0.00 C ATOM 836 C TYR A 56 -9.911 -3.623 11.195 1.00 0.00 C ATOM 837 O TYR A 56 -10.660 -3.818 10.239 1.00 0.00 O ATOM 838 CB TYR A 56 -10.651 -1.244 11.183 1.00 0.00 C ATOM 839 CG TYR A 56 -10.470 0.190 11.685 1.00 0.00 C ATOM 840 CD1 TYR A 56 -10.782 0.509 12.991 1.00 0.00 C ATOM 841 CD2 TYR A 56 -9.994 1.164 10.831 1.00 0.00 C ATOM 842 CE1 TYR A 56 -10.610 1.858 13.462 1.00 0.00 C ATOM 843 CE2 TYR A 56 -9.823 2.513 11.303 1.00 0.00 C ATOM 844 CZ TYR A 56 -10.139 2.794 12.595 1.00 0.00 C ATOM 845 OH TYR A 56 -9.978 4.069 13.041 1.00 0.00 O ATOM 0 H TYR A 56 -8.156 -2.231 10.030 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.372 -2.199 12.687 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -10.709 -1.232 10.095 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -11.603 -1.629 11.549 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.155 -0.253 13.659 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -9.750 0.914 9.809 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -10.850 2.121 14.482 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.452 3.285 10.645 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.634 4.629 12.314 1.00 0.00 H new ATOM 855 N GLY A 57 -9.374 -4.582 11.936 1.00 0.00 N ATOM 856 CA GLY A 57 -9.644 -5.982 11.658 1.00 0.00 C ATOM 857 C GLY A 57 -8.921 -6.889 12.656 1.00 0.00 C ATOM 858 O GLY A 57 -9.508 -7.317 13.648 1.00 0.00 O ATOM 0 H GLY A 57 -8.753 -4.416 12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.717 -6.165 11.706 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.324 -6.223 10.644 1.00 0.00 H new ATOM 862 N GLU A 58 -7.658 -7.154 12.358 1.00 0.00 N ATOM 863 CA GLU A 58 -6.849 -8.002 13.216 1.00 0.00 C ATOM 864 C GLU A 58 -5.542 -7.295 13.581 1.00 0.00 C ATOM 865 O GLU A 58 -4.495 -7.581 13.003 1.00 0.00 O ATOM 866 CB GLU A 58 -6.574 -9.352 12.552 1.00 0.00 C ATOM 867 CG GLU A 58 -6.931 -10.507 13.490 1.00 0.00 C ATOM 868 CD GLU A 58 -7.349 -11.748 12.697 1.00 0.00 C ATOM 869 OE1 GLU A 58 -6.460 -12.323 12.033 1.00 0.00 O ATOM 870 OE2 GLU A 58 -8.548 -12.093 12.774 1.00 0.00 O ATOM 0 H GLU A 58 -7.175 -6.796 11.534 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.406 -8.192 14.134 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.153 -9.434 11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.522 -9.417 12.273 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.075 -10.746 14.121 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.742 -10.205 14.153 1.00 0.00 H new ATOM 877 N GLY A 59 -5.646 -6.385 14.539 1.00 0.00 N ATOM 878 CA GLY A 59 -4.485 -5.635 14.988 1.00 0.00 C ATOM 879 C GLY A 59 -4.316 -5.743 16.504 1.00 0.00 C ATOM 880 O GLY A 59 -4.278 -6.844 17.052 1.00 0.00 O ATOM 0 H GLY A 59 -6.516 -6.150 15.016 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.590 -6.011 14.491 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.592 -4.588 14.704 1.00 0.00 H new ATOM 884 N ASP A 60 -4.217 -4.585 17.141 1.00 0.00 N ATOM 885 CA ASP A 60 -4.052 -4.536 18.584 1.00 0.00 C ATOM 886 C ASP A 60 -5.099 -3.593 19.180 1.00 0.00 C ATOM 887 O ASP A 60 -5.638 -2.736 18.482 1.00 0.00 O ATOM 888 CB ASP A 60 -2.668 -4.005 18.962 1.00 0.00 C ATOM 889 CG ASP A 60 -1.538 -5.034 18.886 1.00 0.00 C ATOM 890 OD1 ASP A 60 -1.781 -6.177 19.328 1.00 0.00 O ATOM 891 OD2 ASP A 60 -0.456 -4.653 18.388 1.00 0.00 O ATOM 0 H ASP A 60 -4.248 -3.674 16.684 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.168 -5.548 18.972 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.424 -3.170 18.305 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.712 -3.610 19.977 1.00 0.00 H new ATOM 896 N LEU A 61 -5.356 -3.783 20.466 1.00 0.00 N ATOM 897 CA LEU A 61 -6.329 -2.961 21.164 1.00 0.00 C ATOM 898 C LEU A 61 -7.593 -2.837 20.311 1.00 0.00 C ATOM 899 O LEU A 61 -7.897 -1.761 19.797 1.00 0.00 O ATOM 900 CB LEU A 61 -5.714 -1.614 21.551 1.00 0.00 C ATOM 901 CG LEU A 61 -5.233 -1.487 22.998 1.00 0.00 C ATOM 902 CD1 LEU A 61 -3.823 -0.898 23.057 1.00 0.00 C ATOM 903 CD2 LEU A 61 -6.227 -0.681 23.837 1.00 0.00 C ATOM 0 H LEU A 61 -4.907 -4.495 21.043 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.622 -3.433 22.102 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.869 -1.419 20.890 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.451 -0.833 21.364 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.183 -2.486 23.431 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.505 -0.818 24.097 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.135 -1.547 22.516 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.823 0.092 22.601 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.862 -0.606 24.861 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.333 0.318 23.415 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.196 -1.181 23.833 1.00 0.00 H new ATOM 915 N ASN A 62 -8.295 -3.953 20.185 1.00 0.00 N ATOM 916 CA ASN A 62 -9.519 -3.984 19.402 1.00 0.00 C ATOM 917 C ASN A 62 -10.629 -4.642 20.224 1.00 0.00 C ATOM 918 O ASN A 62 -10.353 -5.436 21.122 1.00 0.00 O ATOM 919 CB ASN A 62 -9.333 -4.798 18.121 1.00 0.00 C ATOM 920 CG ASN A 62 -9.280 -3.886 16.894 1.00 0.00 C ATOM 921 OD1 ASN A 62 -8.254 -3.322 16.551 1.00 0.00 O ATOM 922 ND2 ASN A 62 -10.440 -3.772 16.254 1.00 0.00 N ATOM 0 H ASN A 62 -8.040 -4.843 20.612 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.779 -2.958 19.142 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.414 -5.380 18.186 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.153 -5.508 18.015 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.508 -3.185 15.423 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.262 -4.272 16.594 1.00 0.00 H new ATOM 929 N PHE A 63 -11.860 -4.288 19.887 1.00 0.00 N ATOM 930 CA PHE A 63 -13.013 -4.834 20.582 1.00 0.00 C ATOM 931 C PHE A 63 -13.034 -6.362 20.494 1.00 0.00 C ATOM 932 O PHE A 63 -13.489 -6.923 19.498 1.00 0.00 O ATOM 933 CB PHE A 63 -14.259 -4.278 19.890 1.00 0.00 C ATOM 934 CG PHE A 63 -15.570 -4.615 20.603 1.00 0.00 C ATOM 935 CD1 PHE A 63 -15.800 -4.147 21.859 1.00 0.00 C ATOM 936 CD2 PHE A 63 -16.505 -5.382 19.980 1.00 0.00 C ATOM 937 CE1 PHE A 63 -17.017 -4.460 22.520 1.00 0.00 C ATOM 938 CE2 PHE A 63 -17.722 -5.694 20.642 1.00 0.00 C ATOM 939 CZ PHE A 63 -17.952 -5.227 21.898 1.00 0.00 C ATOM 0 H PHE A 63 -12.084 -3.629 19.141 1.00 0.00 H new ATOM 0 HA PHE A 63 -12.976 -4.558 21.636 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -14.167 -3.195 19.814 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -14.301 -4.666 18.872 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -15.058 -3.538 22.353 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -16.322 -5.753 18.983 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -17.200 -4.089 23.517 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -18.465 -6.302 20.148 1.00 0.00 H new ATOM 0 HZ PHE A 63 -18.877 -5.465 22.402 1.00 0.00 H new ATOM 949 N SER A 64 -12.535 -6.991 21.548 1.00 0.00 N ATOM 950 CA SER A 64 -12.490 -8.442 21.601 1.00 0.00 C ATOM 951 C SER A 64 -13.837 -9.023 21.166 1.00 0.00 C ATOM 952 O SER A 64 -14.811 -8.973 21.916 1.00 0.00 O ATOM 953 CB SER A 64 -12.131 -8.931 23.006 1.00 0.00 C ATOM 954 OG SER A 64 -10.739 -9.206 23.135 1.00 0.00 O ATOM 0 H SER A 64 -12.158 -6.522 22.372 1.00 0.00 H new ATOM 0 HA SER A 64 -11.714 -8.785 20.916 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.421 -8.177 23.738 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.701 -9.832 23.233 1.00 0.00 H new ATOM 0 HG SER A 64 -10.549 -9.514 24.046 1.00 0.00 H new ATOM 960 N ASP A 65 -13.849 -9.563 19.956 1.00 0.00 N ATOM 961 CA ASP A 65 -15.060 -10.153 19.411 1.00 0.00 C ATOM 962 C ASP A 65 -14.684 -11.196 18.357 1.00 0.00 C ATOM 963 O ASP A 65 -14.196 -10.850 17.283 1.00 0.00 O ATOM 964 CB ASP A 65 -15.934 -9.094 18.737 1.00 0.00 C ATOM 965 CG ASP A 65 -17.249 -9.616 18.155 1.00 0.00 C ATOM 966 OD1 ASP A 65 -17.888 -10.440 18.845 1.00 0.00 O ATOM 967 OD2 ASP A 65 -17.586 -9.179 17.034 1.00 0.00 O ATOM 0 H ASP A 65 -13.039 -9.604 19.337 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.613 -10.607 20.233 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.160 -8.314 19.465 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.360 -8.626 17.937 1.00 0.00 H new ATOM 972 N ASP A 66 -14.926 -12.453 18.702 1.00 0.00 N ATOM 973 CA ASP A 66 -14.619 -13.549 17.799 1.00 0.00 C ATOM 974 C ASP A 66 -15.556 -13.486 16.591 1.00 0.00 C ATOM 975 O ASP A 66 -16.758 -13.711 16.722 1.00 0.00 O ATOM 976 CB ASP A 66 -14.822 -14.901 18.485 1.00 0.00 C ATOM 977 CG ASP A 66 -13.534 -15.607 18.916 1.00 0.00 C ATOM 978 OD1 ASP A 66 -12.475 -15.243 18.362 1.00 0.00 O ATOM 979 OD2 ASP A 66 -13.639 -16.496 19.789 1.00 0.00 O ATOM 0 H ASP A 66 -15.331 -12.736 19.594 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.577 -13.453 17.493 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.450 -14.755 19.364 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.369 -15.557 17.808 1.00 0.00 H new ATOM 984 N SER A 67 -14.970 -13.180 15.443 1.00 0.00 N ATOM 985 CA SER A 67 -15.738 -13.086 14.213 1.00 0.00 C ATOM 986 C SER A 67 -15.564 -14.363 13.388 1.00 0.00 C ATOM 987 O SER A 67 -14.662 -15.156 13.649 1.00 0.00 O ATOM 988 CB SER A 67 -15.317 -11.864 13.394 1.00 0.00 C ATOM 989 OG SER A 67 -16.399 -11.332 12.635 1.00 0.00 O ATOM 0 H SER A 67 -13.973 -12.994 15.339 1.00 0.00 H new ATOM 0 HA SER A 67 -16.790 -12.971 14.474 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.931 -11.095 14.063 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.504 -12.140 12.722 1.00 0.00 H new ATOM 0 HG SER A 67 -16.090 -10.552 12.128 1.00 0.00 H new ATOM 995 N GLY A 68 -16.443 -14.521 12.410 1.00 0.00 N ATOM 996 CA GLY A 68 -16.399 -15.688 11.545 1.00 0.00 C ATOM 997 C GLY A 68 -16.467 -15.281 10.072 1.00 0.00 C ATOM 998 O GLY A 68 -16.068 -14.176 9.710 1.00 0.00 O ATOM 0 H GLY A 68 -17.190 -13.860 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.482 -16.248 11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.231 -16.352 11.781 1.00 0.00 H new ATOM 1002 N ILE A 69 -16.975 -16.198 9.261 1.00 0.00 N ATOM 1003 CA ILE A 69 -17.100 -15.949 7.835 1.00 0.00 C ATOM 1004 C ILE A 69 -15.735 -15.552 7.269 1.00 0.00 C ATOM 1005 O ILE A 69 -15.419 -14.368 7.174 1.00 0.00 O ATOM 1006 CB ILE A 69 -18.200 -14.920 7.565 1.00 0.00 C ATOM 1007 CG1 ILE A 69 -19.568 -15.453 7.998 1.00 0.00 C ATOM 1008 CG2 ILE A 69 -18.193 -14.482 6.099 1.00 0.00 C ATOM 1009 CD1 ILE A 69 -20.575 -14.313 8.157 1.00 0.00 C ATOM 0 H ILE A 69 -17.305 -17.114 9.565 1.00 0.00 H new ATOM 0 HA ILE A 69 -17.409 -16.856 7.316 1.00 0.00 H new ATOM 0 HB ILE A 69 -17.995 -14.034 8.166 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.935 -16.166 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.471 -15.991 8.941 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -18.984 -13.751 5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -17.229 -14.034 5.858 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.361 -15.349 5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -21.539 -14.719 8.465 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -20.217 -13.614 8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -20.688 -13.792 7.206 1.00 0.00 H new ATOM 1021 N SER A 70 -14.963 -16.567 6.908 1.00 0.00 N ATOM 1022 CA SER A 70 -13.639 -16.339 6.354 1.00 0.00 C ATOM 1023 C SER A 70 -13.449 -17.179 5.090 1.00 0.00 C ATOM 1024 O SER A 70 -13.606 -18.399 5.122 1.00 0.00 O ATOM 1025 CB SER A 70 -12.550 -16.666 7.378 1.00 0.00 C ATOM 1026 OG SER A 70 -12.360 -18.070 7.525 1.00 0.00 O ATOM 0 H SER A 70 -15.229 -17.548 6.988 1.00 0.00 H new ATOM 0 HA SER A 70 -13.553 -15.283 6.097 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.612 -16.204 7.070 1.00 0.00 H new ATOM 0 HB3 SER A 70 -12.817 -16.233 8.342 1.00 0.00 H new ATOM 0 HG SER A 70 -12.845 -18.542 6.816 1.00 0.00 H new ATOM 1032 N GLY A 71 -13.114 -16.494 4.007 1.00 0.00 N ATOM 1033 CA GLY A 71 -12.901 -17.162 2.734 1.00 0.00 C ATOM 1034 C GLY A 71 -11.410 -17.245 2.401 1.00 0.00 C ATOM 1035 O GLY A 71 -10.576 -17.364 3.297 1.00 0.00 O ATOM 0 H GLY A 71 -12.985 -15.482 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.326 -18.165 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.424 -16.623 1.944 1.00 0.00 H new ATOM 1039 N PRO A 72 -11.113 -17.177 1.076 1.00 0.00 N ATOM 1040 CA PRO A 72 -9.737 -17.244 0.614 1.00 0.00 C ATOM 1041 C PRO A 72 -9.005 -15.927 0.881 1.00 0.00 C ATOM 1042 O PRO A 72 -9.531 -14.852 0.598 1.00 0.00 O ATOM 1043 CB PRO A 72 -9.835 -17.579 -0.866 1.00 0.00 C ATOM 1044 CG PRO A 72 -11.255 -17.232 -1.279 1.00 0.00 C ATOM 1045 CD PRO A 72 -12.074 -17.037 -0.013 1.00 0.00 C ATOM 0 HA PRO A 72 -9.152 -17.997 1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.109 -17.007 -1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.624 -18.634 -1.042 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -11.266 -16.325 -1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.680 -18.028 -1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.551 -16.057 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -12.869 -17.779 0.063 1.00 0.00 H new ATOM 1053 N SER A 73 -7.802 -16.055 1.422 1.00 0.00 N ATOM 1054 CA SER A 73 -6.992 -14.888 1.730 1.00 0.00 C ATOM 1055 C SER A 73 -5.741 -14.872 0.850 1.00 0.00 C ATOM 1056 O SER A 73 -5.124 -15.912 0.624 1.00 0.00 O ATOM 1057 CB SER A 73 -6.601 -14.865 3.209 1.00 0.00 C ATOM 1058 OG SER A 73 -5.530 -15.761 3.492 1.00 0.00 O ATOM 0 H SER A 73 -7.369 -16.949 1.655 1.00 0.00 H new ATOM 0 HA SER A 73 -7.584 -13.996 1.524 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.311 -13.853 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.466 -15.130 3.817 1.00 0.00 H new ATOM 0 HG SER A 73 -5.309 -15.716 4.446 1.00 0.00 H new ATOM 1064 N SER A 74 -5.405 -13.681 0.377 1.00 0.00 N ATOM 1065 CA SER A 74 -4.238 -13.516 -0.474 1.00 0.00 C ATOM 1066 C SER A 74 -2.964 -13.554 0.372 1.00 0.00 C ATOM 1067 O SER A 74 -2.093 -14.393 0.151 1.00 0.00 O ATOM 1068 CB SER A 74 -4.313 -12.207 -1.263 1.00 0.00 C ATOM 1069 OG SER A 74 -3.178 -12.027 -2.105 1.00 0.00 O ATOM 0 H SER A 74 -5.920 -12.821 0.567 1.00 0.00 H new ATOM 0 HA SER A 74 -4.216 -14.339 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.219 -12.200 -1.869 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.387 -11.369 -0.570 1.00 0.00 H new ATOM 0 HG SER A 74 -3.264 -11.182 -2.593 1.00 0.00 H new ATOM 1075 N GLY A 75 -2.896 -12.635 1.324 1.00 0.00 N ATOM 1076 CA GLY A 75 -1.743 -12.552 2.204 1.00 0.00 C ATOM 1077 C GLY A 75 -0.815 -11.410 1.787 1.00 0.00 C ATOM 1078 O GLY A 75 0.254 -11.230 2.368 1.00 0.00 O ATOM 0 H GLY A 75 -3.621 -11.941 1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.075 -12.399 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.197 -13.495 2.183 1.00 0.00 H new TER 1082 GLY A 75