USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 579 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 57 CYS SG : rot 180:sc= -0.932 USER MOD Set 1.2: A 60 GLN : amide:sc= -0.409 K(o=-1.3,f=-5.8!) USER MOD Set 2.1: A 44 GLN : amide:sc= -1.07 K(o=-1.8,f=-5.1!) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= -0.692 USER MOD Set 3.1: A 39 LYS NZ :NH3+ 174:sc= 0.069 (180deg=-0.00357) USER MOD Set 3.2: A 41 SER OG : rot -150:sc= 0.0601 USER MOD Set 4.1: A 24 SER OG : rot 77:sc= 0.836 USER MOD Set 4.2: A 68 MET CE :methyl -167:sc= -0.0377 (180deg=-0.313) USER MOD Set 5.1: A 17 THR OG1 : rot -160:sc= -0.161 USER MOD Set 5.2: A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.0567) USER MOD Single : A 3 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.66) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc=-0.00535 K(o=-0.0053,f=-0.82) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 10 THR OG1 : rot 12:sc= 1.16 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0788 K(o=-0.079,f=-0.63) USER MOD Single : A 21 CYS SG : rot -12:sc= 0.167 USER MOD Single : A 23 LYS NZ :NH3+ -171:sc=-0.00168 (180deg=-0.0995) USER MOD Single : A 30 SER OG : rot 93:sc= 1.32 USER MOD Single : A 31 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.121 USER MOD Single : A 38 MET CE :methyl -127:sc= -0.0513 (180deg=-0.744) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 62 CYS SG : rot 77:sc= -2.12! USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.875 K(o=-0.87,f=-3.9!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.151 -10.767 -6.557 1.00 0.00 N ATOM 2 CA ALA A 1 12.680 -11.978 -5.898 1.00 0.00 C ATOM 3 C ALA A 1 12.690 -11.831 -4.375 1.00 0.00 C ATOM 4 O ALA A 1 12.415 -12.791 -3.652 1.00 0.00 O ATOM 5 CB ALA A 1 14.080 -12.294 -6.407 1.00 0.00 C ATOM 0 H1 ALA A 1 12.047 -10.944 -7.577 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.224 -10.528 -6.151 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.809 -9.975 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 1 12.017 -12.806 -6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.454 -13.189 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.046 -12.463 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.743 -11.456 -6.192 1.00 0.00 H new ATOM 13 N GLY A 2 13.016 -10.631 -3.891 1.00 0.00 N ATOM 14 CA GLY A 2 13.077 -10.392 -2.459 1.00 0.00 C ATOM 15 C GLY A 2 11.747 -10.591 -1.761 1.00 0.00 C ATOM 16 O GLY A 2 11.684 -11.223 -0.709 1.00 0.00 O ATOM 0 H GLY A 2 13.239 -9.820 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 2 13.815 -11.061 -2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 2 13.424 -9.374 -2.282 1.00 0.00 H new ATOM 20 N HIS A 3 10.681 -10.064 -2.344 1.00 0.00 N ATOM 21 CA HIS A 3 9.353 -10.220 -1.756 1.00 0.00 C ATOM 22 C HIS A 3 8.680 -11.475 -2.289 1.00 0.00 C ATOM 23 O HIS A 3 9.126 -12.046 -3.284 1.00 0.00 O ATOM 24 CB HIS A 3 8.459 -8.984 -2.008 1.00 0.00 C ATOM 25 CG HIS A 3 8.086 -8.746 -3.451 1.00 0.00 C ATOM 26 ND1 HIS A 3 7.077 -9.439 -4.097 1.00 0.00 N ATOM 27 CD2 HIS A 3 8.577 -7.878 -4.363 1.00 0.00 C ATOM 28 CE1 HIS A 3 6.974 -9.006 -5.340 1.00 0.00 C ATOM 29 NE2 HIS A 3 7.869 -8.062 -5.525 1.00 0.00 N ATOM 0 H HIS A 3 10.704 -9.530 -3.213 1.00 0.00 H new ATOM 0 HA HIS A 3 9.484 -10.315 -0.678 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.544 -9.092 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.974 -8.100 -1.632 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.378 -7.171 -4.207 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.273 -9.366 -6.079 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.015 -7.548 -6.394 1.00 0.00 H new ATOM 37 N MET A 4 7.621 -11.907 -1.628 1.00 0.00 N ATOM 38 CA MET A 4 6.868 -13.063 -2.088 1.00 0.00 C ATOM 39 C MET A 4 5.404 -12.696 -2.331 1.00 0.00 C ATOM 40 O MET A 4 4.577 -12.755 -1.416 1.00 0.00 O ATOM 41 CB MET A 4 6.975 -14.217 -1.083 1.00 0.00 C ATOM 42 CG MET A 4 6.232 -15.477 -1.507 1.00 0.00 C ATOM 43 SD MET A 4 6.858 -16.170 -3.050 1.00 0.00 S ATOM 44 CE MET A 4 5.753 -17.563 -3.262 1.00 0.00 C ATOM 0 H MET A 4 7.263 -11.478 -0.775 1.00 0.00 H new ATOM 0 HA MET A 4 7.299 -13.392 -3.034 1.00 0.00 H new ATOM 0 HB2 MET A 4 8.027 -14.460 -0.935 1.00 0.00 H new ATOM 0 HB3 MET A 4 6.586 -13.885 -0.121 1.00 0.00 H new ATOM 0 HG2 MET A 4 6.314 -16.225 -0.718 1.00 0.00 H new ATOM 0 HG3 MET A 4 5.172 -15.248 -1.620 1.00 0.00 H new ATOM 0 HE1 MET A 4 6.011 -18.097 -4.177 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.848 -18.236 -2.410 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.725 -17.205 -3.329 1.00 0.00 H new ATOM 54 N GLN A 5 5.107 -12.295 -3.573 1.00 0.00 N ATOM 55 CA GLN A 5 3.746 -11.917 -4.004 1.00 0.00 C ATOM 56 C GLN A 5 3.098 -10.860 -3.104 1.00 0.00 C ATOM 57 O GLN A 5 1.873 -10.780 -3.009 1.00 0.00 O ATOM 58 CB GLN A 5 2.847 -13.149 -4.121 1.00 0.00 C ATOM 59 CG GLN A 5 3.203 -14.055 -5.288 1.00 0.00 C ATOM 60 CD GLN A 5 2.406 -15.343 -5.293 1.00 0.00 C ATOM 61 OE1 GLN A 5 2.051 -15.876 -4.239 1.00 0.00 O ATOM 62 NE2 GLN A 5 2.102 -15.844 -6.474 1.00 0.00 N ATOM 0 H GLN A 5 5.804 -12.222 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 5 3.855 -11.462 -4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.908 -13.722 -3.196 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.812 -12.824 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.030 -13.522 -6.223 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.266 -14.291 -5.248 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.414 -15.373 -7.323 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.554 -16.702 -6.538 1.00 0.00 H new ATOM 71 N VAL A 6 3.914 -10.029 -2.490 1.00 0.00 N ATOM 72 CA VAL A 6 3.418 -8.966 -1.637 1.00 0.00 C ATOM 73 C VAL A 6 4.321 -7.745 -1.748 1.00 0.00 C ATOM 74 O VAL A 6 5.542 -7.870 -1.763 1.00 0.00 O ATOM 75 CB VAL A 6 3.305 -9.425 -0.151 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.659 -9.848 0.409 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.680 -8.334 0.710 1.00 0.00 C ATOM 0 H VAL A 6 4.930 -10.069 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 6 2.416 -8.704 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 6 2.651 -10.297 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.542 -10.162 1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.053 -10.677 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.352 -9.008 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.612 -8.679 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.298 -7.437 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.682 -8.104 0.338 1.00 0.00 H new ATOM 87 N ALA A 7 3.729 -6.577 -1.864 1.00 0.00 N ATOM 88 CA ALA A 7 4.501 -5.362 -1.975 1.00 0.00 C ATOM 89 C ALA A 7 4.020 -4.321 -0.984 1.00 0.00 C ATOM 90 O ALA A 7 2.821 -4.031 -0.904 1.00 0.00 O ATOM 91 CB ALA A 7 4.430 -4.817 -3.395 1.00 0.00 C ATOM 0 H ALA A 7 2.718 -6.444 -1.884 1.00 0.00 H new ATOM 0 HA ALA A 7 5.540 -5.597 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.017 -3.901 -3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.830 -5.556 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.392 -4.603 -3.651 1.00 0.00 H new ATOM 97 N THR A 8 4.951 -3.775 -0.221 1.00 0.00 N ATOM 98 CA THR A 8 4.638 -2.728 0.724 1.00 0.00 C ATOM 99 C THR A 8 5.534 -1.529 0.489 1.00 0.00 C ATOM 100 O THR A 8 6.738 -1.677 0.266 1.00 0.00 O ATOM 101 CB THR A 8 4.798 -3.203 2.186 1.00 0.00 C ATOM 102 OG1 THR A 8 6.134 -3.691 2.403 1.00 0.00 O ATOM 103 CG2 THR A 8 3.801 -4.301 2.510 1.00 0.00 C ATOM 0 H THR A 8 5.935 -4.045 -0.241 1.00 0.00 H new ATOM 0 HA THR A 8 3.595 -2.453 0.568 1.00 0.00 H new ATOM 0 HB THR A 8 4.608 -2.353 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.227 -3.988 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.933 -4.619 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.787 -3.924 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.966 -5.149 1.846 1.00 0.00 H new ATOM 111 N SER A 9 4.952 -0.360 0.535 1.00 0.00 N ATOM 112 CA SER A 9 5.682 0.869 0.341 1.00 0.00 C ATOM 113 C SER A 9 4.882 2.012 0.942 1.00 0.00 C ATOM 114 O SER A 9 3.686 1.857 1.209 1.00 0.00 O ATOM 115 CB SER A 9 5.947 1.103 -1.152 1.00 0.00 C ATOM 116 OG SER A 9 6.752 2.247 -1.360 1.00 0.00 O ATOM 0 H SER A 9 3.955 -0.231 0.708 1.00 0.00 H new ATOM 0 HA SER A 9 6.650 0.809 0.839 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.439 0.228 -1.577 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.999 1.223 -1.677 1.00 0.00 H new ATOM 0 HG SER A 9 6.905 2.369 -2.320 1.00 0.00 H new ATOM 122 N THR A 10 5.518 3.138 1.173 1.00 0.00 N ATOM 123 CA THR A 10 4.828 4.261 1.757 1.00 0.00 C ATOM 124 C THR A 10 4.565 5.339 0.721 1.00 0.00 C ATOM 125 O THR A 10 5.425 5.666 -0.090 1.00 0.00 O ATOM 126 CB THR A 10 5.624 4.862 2.942 1.00 0.00 C ATOM 127 OG1 THR A 10 6.941 5.239 2.519 1.00 0.00 O ATOM 128 CG2 THR A 10 5.732 3.863 4.078 1.00 0.00 C ATOM 0 H THR A 10 6.504 3.298 0.967 1.00 0.00 H new ATOM 0 HA THR A 10 3.874 3.890 2.132 1.00 0.00 H new ATOM 0 HB THR A 10 5.088 5.744 3.292 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.990 5.215 1.540 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.295 4.306 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.733 3.596 4.424 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.245 2.968 3.728 1.00 0.00 H new ATOM 136 N VAL A 11 3.382 5.880 0.750 1.00 0.00 N ATOM 137 CA VAL A 11 3.020 6.940 -0.143 1.00 0.00 C ATOM 138 C VAL A 11 2.612 8.153 0.666 1.00 0.00 C ATOM 139 O VAL A 11 1.740 8.073 1.535 1.00 0.00 O ATOM 140 CB VAL A 11 1.880 6.509 -1.122 1.00 0.00 C ATOM 141 CG1 VAL A 11 0.647 6.024 -0.370 1.00 0.00 C ATOM 142 CG2 VAL A 11 1.520 7.644 -2.069 1.00 0.00 C ATOM 0 H VAL A 11 2.642 5.599 1.393 1.00 0.00 H new ATOM 0 HA VAL A 11 3.884 7.189 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 11 2.256 5.674 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.124 5.733 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.912 5.166 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.269 6.825 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.725 7.320 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.180 8.505 -1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.397 7.922 -2.654 1.00 0.00 H new ATOM 152 N ARG A 12 3.270 9.262 0.423 1.00 0.00 N ATOM 153 CA ARG A 12 2.973 10.466 1.156 1.00 0.00 C ATOM 154 C ARG A 12 1.751 11.121 0.558 1.00 0.00 C ATOM 155 O ARG A 12 1.581 11.128 -0.665 1.00 0.00 O ATOM 156 CB ARG A 12 4.175 11.423 1.159 1.00 0.00 C ATOM 157 CG ARG A 12 4.405 12.155 -0.149 1.00 0.00 C ATOM 158 CD ARG A 12 5.641 13.035 -0.082 1.00 0.00 C ATOM 159 NE ARG A 12 5.571 14.006 1.014 1.00 0.00 N ATOM 160 CZ ARG A 12 6.538 14.880 1.300 1.00 0.00 C ATOM 161 NH1 ARG A 12 7.582 15.012 0.488 1.00 0.00 N ATOM 162 NH2 ARG A 12 6.442 15.643 2.379 1.00 0.00 N ATOM 0 H ARG A 12 4.010 9.354 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 12 2.767 10.212 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.035 12.158 1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.073 10.856 1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.514 11.432 -0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.534 12.766 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.524 12.409 0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.759 13.565 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 12 4.732 14.014 1.594 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.646 14.444 -0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.319 15.681 0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.629 15.562 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.181 16.311 2.598 1.00 0.00 H new ATOM 176 N ILE A 13 0.903 11.662 1.397 1.00 0.00 N ATOM 177 CA ILE A 13 -0.313 12.269 0.919 1.00 0.00 C ATOM 178 C ILE A 13 -0.272 13.776 1.065 1.00 0.00 C ATOM 179 O ILE A 13 0.017 14.309 2.140 1.00 0.00 O ATOM 180 CB ILE A 13 -1.568 11.697 1.636 1.00 0.00 C ATOM 181 CG1 ILE A 13 -1.467 11.887 3.160 1.00 0.00 C ATOM 182 CG2 ILE A 13 -1.755 10.224 1.288 1.00 0.00 C ATOM 183 CD1 ILE A 13 -2.728 11.510 3.910 1.00 0.00 C ATOM 0 H ILE A 13 1.031 11.694 2.408 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.389 12.024 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.441 12.249 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.639 11.287 3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.228 12.929 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.638 9.839 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.883 10.118 0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.878 9.661 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.578 11.671 4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.556 12.127 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.958 10.460 3.731 1.00 0.00 H new ATOM 195 N LEU A 14 -0.530 14.454 -0.023 1.00 0.00 N ATOM 196 CA LEU A 14 -0.584 15.888 -0.038 1.00 0.00 C ATOM 197 C LEU A 14 -1.905 16.320 -0.627 1.00 0.00 C ATOM 198 O LEU A 14 -2.213 16.018 -1.779 1.00 0.00 O ATOM 199 CB LEU A 14 0.584 16.466 -0.851 1.00 0.00 C ATOM 200 CG LEU A 14 0.610 17.994 -0.992 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.726 18.662 0.369 1.00 0.00 C ATOM 202 CD2 LEU A 14 1.753 18.427 -1.898 1.00 0.00 C ATOM 0 H LEU A 14 -0.709 14.021 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.498 16.265 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.517 16.147 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.558 16.029 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.330 18.309 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.743 19.745 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.128 18.382 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.647 18.339 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.756 19.513 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.700 18.095 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.623 17.983 -2.885 1.00 0.00 H new ATOM 214 N GLY A 15 -2.688 16.999 0.156 1.00 0.00 N ATOM 215 CA GLY A 15 -3.958 17.436 -0.311 1.00 0.00 C ATOM 216 C GLY A 15 -4.542 18.470 0.585 1.00 0.00 C ATOM 217 O GLY A 15 -4.133 18.596 1.740 1.00 0.00 O ATOM 0 H GLY A 15 -2.466 17.259 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.857 17.841 -1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.636 16.585 -0.376 1.00 0.00 H new ATOM 221 N MET A 16 -5.490 19.219 0.066 1.00 0.00 N ATOM 222 CA MET A 16 -6.157 20.237 0.848 1.00 0.00 C ATOM 223 C MET A 16 -6.945 19.568 1.964 1.00 0.00 C ATOM 224 O MET A 16 -6.978 20.042 3.101 1.00 0.00 O ATOM 225 CB MET A 16 -7.082 21.056 -0.043 1.00 0.00 C ATOM 226 CG MET A 16 -6.355 21.805 -1.148 1.00 0.00 C ATOM 227 SD MET A 16 -5.104 22.939 -0.522 1.00 0.00 S ATOM 228 CE MET A 16 -4.381 23.512 -2.059 1.00 0.00 C ATOM 0 H MET A 16 -5.817 19.142 -0.897 1.00 0.00 H new ATOM 0 HA MET A 16 -5.419 20.910 1.284 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.822 20.393 -0.491 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.626 21.772 0.573 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.883 21.086 -1.818 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.081 22.363 -1.740 1.00 0.00 H new ATOM 0 HE1 MET A 16 -3.585 24.225 -1.843 1.00 0.00 H new ATOM 0 HE2 MET A 16 -3.969 22.664 -2.606 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.148 23.996 -2.664 1.00 0.00 H new ATOM 238 N THR A 17 -7.560 18.450 1.625 1.00 0.00 N ATOM 239 CA THR A 17 -8.281 17.644 2.573 1.00 0.00 C ATOM 240 C THR A 17 -7.704 16.226 2.590 1.00 0.00 C ATOM 241 O THR A 17 -7.906 15.444 1.651 1.00 0.00 O ATOM 242 CB THR A 17 -9.789 17.609 2.244 1.00 0.00 C ATOM 243 OG1 THR A 17 -9.979 17.503 0.823 1.00 0.00 O ATOM 244 CG2 THR A 17 -10.484 18.858 2.761 1.00 0.00 C ATOM 0 H THR A 17 -7.569 18.079 0.675 1.00 0.00 H new ATOM 0 HA THR A 17 -8.168 18.090 3.561 1.00 0.00 H new ATOM 0 HB THR A 17 -10.226 16.740 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.886 17.795 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.545 18.811 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.362 18.921 3.842 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.043 19.739 2.294 1.00 0.00 H new ATOM 252 N CYS A 18 -6.968 15.910 3.646 1.00 0.00 N ATOM 253 CA CYS A 18 -6.308 14.616 3.769 1.00 0.00 C ATOM 254 C CYS A 18 -7.317 13.471 3.835 1.00 0.00 C ATOM 255 O CYS A 18 -7.115 12.418 3.229 1.00 0.00 O ATOM 256 CB CYS A 18 -5.397 14.596 4.995 1.00 0.00 C ATOM 257 SG CYS A 18 -3.941 15.666 4.849 1.00 0.00 S ATOM 0 H CYS A 18 -6.812 16.536 4.436 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.701 14.469 2.875 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.973 14.901 5.868 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.067 13.573 5.173 1.00 0.00 H new ATOM 0 HG CYS A 18 -3.232 15.584 5.935 1.00 0.00 H new ATOM 263 N GLN A 19 -8.405 13.681 4.552 1.00 0.00 N ATOM 264 CA GLN A 19 -9.424 12.653 4.690 1.00 0.00 C ATOM 265 C GLN A 19 -10.042 12.326 3.329 1.00 0.00 C ATOM 266 O GLN A 19 -10.277 11.161 3.007 1.00 0.00 O ATOM 267 CB GLN A 19 -10.507 13.099 5.679 1.00 0.00 C ATOM 268 CG GLN A 19 -11.553 12.034 5.981 1.00 0.00 C ATOM 269 CD GLN A 19 -10.967 10.809 6.662 1.00 0.00 C ATOM 270 OE1 GLN A 19 -9.996 10.905 7.415 1.00 0.00 O ATOM 271 NE2 GLN A 19 -11.551 9.655 6.406 1.00 0.00 N ATOM 0 H GLN A 19 -8.607 14.550 5.047 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.953 11.751 5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.030 13.399 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.007 13.981 5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.327 12.462 6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.035 11.731 5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.353 9.618 5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.201 8.800 6.837 1.00 0.00 H new ATOM 280 N SER A 20 -10.278 13.360 2.528 1.00 0.00 N ATOM 281 CA SER A 20 -10.877 13.188 1.215 1.00 0.00 C ATOM 282 C SER A 20 -9.990 12.348 0.291 1.00 0.00 C ATOM 283 O SER A 20 -10.478 11.438 -0.378 1.00 0.00 O ATOM 284 CB SER A 20 -11.142 14.547 0.576 1.00 0.00 C ATOM 285 OG SER A 20 -12.063 15.301 1.344 1.00 0.00 O ATOM 0 H SER A 20 -10.062 14.327 2.769 1.00 0.00 H new ATOM 0 HA SER A 20 -11.819 12.657 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.206 15.097 0.483 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.532 14.408 -0.432 1.00 0.00 H new ATOM 0 HG SER A 20 -12.215 16.168 0.914 1.00 0.00 H new ATOM 291 N CYS A 21 -8.681 12.630 0.276 1.00 0.00 N ATOM 292 CA CYS A 21 -7.775 11.894 -0.599 1.00 0.00 C ATOM 293 C CYS A 21 -7.658 10.441 -0.169 1.00 0.00 C ATOM 294 O CYS A 21 -7.608 9.539 -1.010 1.00 0.00 O ATOM 295 CB CYS A 21 -6.391 12.561 -0.670 1.00 0.00 C ATOM 296 SG CYS A 21 -5.514 12.689 0.901 1.00 0.00 S ATOM 0 H CYS A 21 -8.237 13.348 0.849 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.202 11.915 -1.602 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.771 11.999 -1.368 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.510 13.563 -1.083 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.326 12.403 1.876 1.00 0.00 H new ATOM 302 N VAL A 22 -7.641 10.215 1.142 1.00 0.00 N ATOM 303 CA VAL A 22 -7.580 8.869 1.676 1.00 0.00 C ATOM 304 C VAL A 22 -8.846 8.110 1.308 1.00 0.00 C ATOM 305 O VAL A 22 -8.794 6.970 0.862 1.00 0.00 O ATOM 306 CB VAL A 22 -7.396 8.870 3.218 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.520 7.461 3.785 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.051 9.474 3.591 1.00 0.00 C ATOM 0 H VAL A 22 -7.669 10.950 1.849 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.713 8.375 1.237 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.188 9.481 3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.387 7.491 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.507 7.060 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.755 6.822 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.937 9.467 4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.251 8.888 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.999 10.500 3.227 1.00 0.00 H new ATOM 318 N LYS A 23 -9.983 8.767 1.476 1.00 0.00 N ATOM 319 CA LYS A 23 -11.265 8.159 1.162 1.00 0.00 C ATOM 320 C LYS A 23 -11.368 7.844 -0.324 1.00 0.00 C ATOM 321 O LYS A 23 -11.831 6.774 -0.710 1.00 0.00 O ATOM 322 CB LYS A 23 -12.418 9.068 1.583 1.00 0.00 C ATOM 323 CG LYS A 23 -13.792 8.463 1.336 1.00 0.00 C ATOM 324 CD LYS A 23 -14.895 9.398 1.786 1.00 0.00 C ATOM 325 CE LYS A 23 -16.268 8.777 1.598 1.00 0.00 C ATOM 326 NZ LYS A 23 -16.572 8.486 0.170 1.00 0.00 N ATOM 0 H LYS A 23 -10.043 9.722 1.828 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.334 7.226 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.318 9.300 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.343 10.011 1.041 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.909 8.243 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.876 7.516 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -14.751 9.652 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.836 10.329 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.327 7.854 2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.026 9.451 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.570 8.208 0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.395 9.336 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.964 7.711 -0.163 1.00 0.00 H new ATOM 340 N SER A 24 -10.927 8.780 -1.153 1.00 0.00 N ATOM 341 CA SER A 24 -10.997 8.615 -2.591 1.00 0.00 C ATOM 342 C SER A 24 -10.159 7.426 -3.069 1.00 0.00 C ATOM 343 O SER A 24 -10.606 6.650 -3.923 1.00 0.00 O ATOM 344 CB SER A 24 -10.559 9.895 -3.294 1.00 0.00 C ATOM 345 OG SER A 24 -11.446 10.960 -2.999 1.00 0.00 O ATOM 0 H SER A 24 -10.516 9.663 -0.849 1.00 0.00 H new ATOM 0 HA SER A 24 -12.035 8.407 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.549 10.160 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 24 -10.526 9.731 -4.371 1.00 0.00 H new ATOM 0 HG SER A 24 -11.263 11.298 -2.098 1.00 0.00 H new ATOM 351 N ILE A 25 -8.951 7.277 -2.521 1.00 0.00 N ATOM 352 CA ILE A 25 -8.104 6.162 -2.898 1.00 0.00 C ATOM 353 C ILE A 25 -8.645 4.854 -2.304 1.00 0.00 C ATOM 354 O ILE A 25 -8.632 3.820 -2.961 1.00 0.00 O ATOM 355 CB ILE A 25 -6.607 6.387 -2.501 1.00 0.00 C ATOM 356 CG1 ILE A 25 -5.718 5.316 -3.134 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.422 6.410 -0.989 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.236 5.547 -2.927 1.00 0.00 C ATOM 0 H ILE A 25 -8.549 7.907 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.128 6.089 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.308 7.363 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.986 4.344 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.923 5.273 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.370 6.568 -0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.015 7.219 -0.562 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.749 5.459 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.673 4.746 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.952 6.503 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.015 5.559 -1.860 1.00 0.00 H new ATOM 370 N GLU A 26 -9.165 4.931 -1.073 1.00 0.00 N ATOM 371 CA GLU A 26 -9.753 3.772 -0.395 1.00 0.00 C ATOM 372 C GLU A 26 -10.933 3.244 -1.198 1.00 0.00 C ATOM 373 O GLU A 26 -11.054 2.046 -1.439 1.00 0.00 O ATOM 374 CB GLU A 26 -10.224 4.179 1.014 1.00 0.00 C ATOM 375 CG GLU A 26 -10.891 3.067 1.819 1.00 0.00 C ATOM 376 CD GLU A 26 -9.940 1.959 2.218 1.00 0.00 C ATOM 377 OE1 GLU A 26 -9.770 1.001 1.439 1.00 0.00 O ATOM 378 OE2 GLU A 26 -9.374 2.030 3.331 1.00 0.00 O ATOM 0 H GLU A 26 -9.190 5.790 -0.524 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.000 2.988 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.365 4.548 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.924 5.009 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.335 3.496 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.706 2.643 1.232 1.00 0.00 H new ATOM 385 N ASP A 27 -11.779 4.161 -1.632 1.00 0.00 N ATOM 386 CA ASP A 27 -12.961 3.835 -2.420 1.00 0.00 C ATOM 387 C ASP A 27 -12.585 3.156 -3.728 1.00 0.00 C ATOM 388 O ASP A 27 -13.123 2.100 -4.076 1.00 0.00 O ATOM 389 CB ASP A 27 -13.737 5.124 -2.714 1.00 0.00 C ATOM 390 CG ASP A 27 -14.940 4.912 -3.604 1.00 0.00 C ATOM 391 OD1 ASP A 27 -15.945 4.342 -3.134 1.00 0.00 O ATOM 392 OD2 ASP A 27 -14.887 5.331 -4.780 1.00 0.00 O ATOM 0 H ASP A 27 -11.668 5.158 -1.449 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.579 3.143 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.064 5.565 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.067 5.843 -3.186 1.00 0.00 H new ATOM 397 N ARG A 28 -11.654 3.759 -4.437 1.00 0.00 N ATOM 398 CA ARG A 28 -11.221 3.260 -5.728 1.00 0.00 C ATOM 399 C ARG A 28 -10.512 1.897 -5.591 1.00 0.00 C ATOM 400 O ARG A 28 -10.781 0.965 -6.359 1.00 0.00 O ATOM 401 CB ARG A 28 -10.342 4.314 -6.396 1.00 0.00 C ATOM 402 CG ARG A 28 -9.999 4.052 -7.848 1.00 0.00 C ATOM 403 CD ARG A 28 -9.427 5.315 -8.470 1.00 0.00 C ATOM 404 NE ARG A 28 -9.069 5.157 -9.876 1.00 0.00 N ATOM 405 CZ ARG A 28 -9.068 6.160 -10.757 1.00 0.00 C ATOM 406 NH1 ARG A 28 -9.530 7.359 -10.405 1.00 0.00 N ATOM 407 NH2 ARG A 28 -8.636 5.961 -11.990 1.00 0.00 N ATOM 0 H ARG A 28 -11.176 4.608 -4.136 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.088 3.082 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.846 5.278 -6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.414 4.399 -5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.277 3.239 -7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.890 3.737 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.156 6.120 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.543 5.619 -7.909 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.805 4.228 -10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.885 7.512 -9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.528 8.124 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.302 5.039 -12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.637 6.729 -12.661 1.00 0.00 H new ATOM 421 N ILE A 29 -9.637 1.778 -4.590 1.00 0.00 N ATOM 422 CA ILE A 29 -8.946 0.519 -4.324 1.00 0.00 C ATOM 423 C ILE A 29 -9.933 -0.567 -3.928 1.00 0.00 C ATOM 424 O ILE A 29 -9.801 -1.700 -4.343 1.00 0.00 O ATOM 425 CB ILE A 29 -7.824 0.655 -3.255 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.672 1.491 -3.809 1.00 0.00 C ATOM 427 CG2 ILE A 29 -7.318 -0.714 -2.815 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.617 1.829 -2.789 1.00 0.00 C ATOM 0 H ILE A 29 -9.392 2.537 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.458 0.233 -5.256 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.242 1.157 -2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.207 0.950 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.074 2.416 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.534 -0.589 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.141 -1.285 -2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.916 -1.247 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.834 2.424 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.066 2.399 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.186 0.910 -2.393 1.00 0.00 H new ATOM 440 N SER A 30 -10.928 -0.204 -3.130 1.00 0.00 N ATOM 441 CA SER A 30 -11.959 -1.149 -2.715 1.00 0.00 C ATOM 442 C SER A 30 -12.692 -1.706 -3.934 1.00 0.00 C ATOM 443 O SER A 30 -13.065 -2.879 -3.968 1.00 0.00 O ATOM 444 CB SER A 30 -12.949 -0.483 -1.762 1.00 0.00 C ATOM 445 OG SER A 30 -12.309 -0.091 -0.561 1.00 0.00 O ATOM 0 H SER A 30 -11.044 0.738 -2.756 1.00 0.00 H new ATOM 0 HA SER A 30 -11.476 -1.973 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.393 0.388 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.763 -1.172 -1.537 1.00 0.00 H new ATOM 0 HG SER A 30 -12.010 0.839 -0.638 1.00 0.00 H new ATOM 451 N ASN A 31 -12.903 -0.853 -4.927 1.00 0.00 N ATOM 452 CA ASN A 31 -13.565 -1.258 -6.161 1.00 0.00 C ATOM 453 C ASN A 31 -12.684 -2.218 -6.967 1.00 0.00 C ATOM 454 O ASN A 31 -13.188 -3.029 -7.746 1.00 0.00 O ATOM 455 CB ASN A 31 -13.924 -0.034 -7.011 1.00 0.00 C ATOM 456 CG ASN A 31 -15.037 0.797 -6.397 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.866 0.289 -5.642 1.00 0.00 O ATOM 458 ND2 ASN A 31 -15.063 2.075 -6.715 1.00 0.00 N ATOM 0 H ASN A 31 -12.624 0.128 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.484 -1.778 -5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.038 0.588 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.227 -0.363 -8.005 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.788 2.681 -6.332 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.358 2.458 -7.344 1.00 0.00 H new ATOM 465 N LEU A 32 -11.370 -2.114 -6.779 1.00 0.00 N ATOM 466 CA LEU A 32 -10.413 -2.984 -7.476 1.00 0.00 C ATOM 467 C LEU A 32 -9.968 -4.173 -6.603 1.00 0.00 C ATOM 468 O LEU A 32 -9.945 -4.092 -5.381 1.00 0.00 O ATOM 469 CB LEU A 32 -9.184 -2.190 -7.948 1.00 0.00 C ATOM 470 CG LEU A 32 -9.312 -1.486 -9.311 1.00 0.00 C ATOM 471 CD1 LEU A 32 -10.382 -0.406 -9.282 1.00 0.00 C ATOM 472 CD2 LEU A 32 -7.973 -0.903 -9.734 1.00 0.00 C ATOM 0 H LEU A 32 -10.939 -1.436 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.932 -3.384 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.952 -1.438 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.333 -2.870 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.617 -2.232 -10.045 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.445 0.070 -10.261 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.344 -0.854 -9.034 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.125 0.341 -8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.080 -0.409 -10.700 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.640 -0.179 -8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.237 -1.703 -9.816 1.00 0.00 H new ATOM 484 N LYS A 33 -9.647 -5.281 -7.247 1.00 0.00 N ATOM 485 CA LYS A 33 -9.167 -6.476 -6.549 1.00 0.00 C ATOM 486 C LYS A 33 -7.721 -6.299 -6.106 1.00 0.00 C ATOM 487 O LYS A 33 -6.978 -5.510 -6.691 1.00 0.00 O ATOM 488 CB LYS A 33 -9.266 -7.716 -7.441 1.00 0.00 C ATOM 489 CG LYS A 33 -10.678 -8.117 -7.811 1.00 0.00 C ATOM 490 CD LYS A 33 -10.675 -9.352 -8.694 1.00 0.00 C ATOM 491 CE LYS A 33 -12.080 -9.760 -9.082 1.00 0.00 C ATOM 492 NZ LYS A 33 -12.087 -10.962 -9.952 1.00 0.00 N ATOM 0 H LYS A 33 -9.708 -5.385 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.802 -6.615 -5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.703 -7.535 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.787 -8.552 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.254 -8.313 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.170 -7.295 -8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.090 -9.156 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.188 -10.174 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.662 -9.960 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.568 -8.934 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.068 -11.209 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.554 -10.764 -10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.645 -11.757 -9.449 1.00 0.00 H new ATOM 506 N GLY A 34 -7.332 -7.019 -5.066 1.00 0.00 N ATOM 507 CA GLY A 34 -5.959 -6.967 -4.605 1.00 0.00 C ATOM 508 C GLY A 34 -5.790 -6.147 -3.354 1.00 0.00 C ATOM 509 O GLY A 34 -4.672 -5.982 -2.861 1.00 0.00 O ATOM 0 H GLY A 34 -7.941 -7.639 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.605 -7.981 -4.419 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.332 -6.550 -5.393 1.00 0.00 H new ATOM 513 N ILE A 35 -6.890 -5.636 -2.836 1.00 0.00 N ATOM 514 CA ILE A 35 -6.858 -4.853 -1.616 1.00 0.00 C ATOM 515 C ILE A 35 -6.604 -5.752 -0.398 1.00 0.00 C ATOM 516 O ILE A 35 -7.462 -6.536 0.007 1.00 0.00 O ATOM 517 CB ILE A 35 -8.172 -4.029 -1.427 1.00 0.00 C ATOM 518 CG1 ILE A 35 -8.174 -3.300 -0.072 1.00 0.00 C ATOM 519 CG2 ILE A 35 -9.410 -4.909 -1.583 1.00 0.00 C ATOM 520 CD1 ILE A 35 -9.340 -2.350 0.112 1.00 0.00 C ATOM 0 H ILE A 35 -7.819 -5.749 -3.242 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.033 -4.146 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.207 -3.275 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.191 -4.040 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.243 -2.742 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.306 -4.304 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.420 -5.350 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.389 -5.702 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.271 -1.875 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.313 -1.586 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.276 -2.905 0.043 1.00 0.00 H new ATOM 532 N ILE A 36 -5.410 -5.654 0.166 1.00 0.00 N ATOM 533 CA ILE A 36 -5.062 -6.459 1.320 1.00 0.00 C ATOM 534 C ILE A 36 -5.146 -5.637 2.598 1.00 0.00 C ATOM 535 O ILE A 36 -6.050 -5.837 3.414 1.00 0.00 O ATOM 536 CB ILE A 36 -3.642 -7.076 1.188 1.00 0.00 C ATOM 537 CG1 ILE A 36 -3.516 -7.877 -0.119 1.00 0.00 C ATOM 538 CG2 ILE A 36 -3.321 -7.961 2.392 1.00 0.00 C ATOM 539 CD1 ILE A 36 -4.500 -9.029 -0.239 1.00 0.00 C ATOM 0 H ILE A 36 -4.672 -5.028 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.784 -7.274 1.368 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.920 -6.260 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.660 -7.201 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.502 -8.270 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.322 -8.382 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.361 -7.364 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.050 -8.769 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.345 -9.542 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.343 -9.729 0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.519 -8.643 -0.197 1.00 0.00 H new ATOM 551 N SER A 37 -4.206 -4.718 2.780 1.00 0.00 N ATOM 552 CA SER A 37 -4.184 -3.872 3.965 1.00 0.00 C ATOM 553 C SER A 37 -3.444 -2.567 3.698 1.00 0.00 C ATOM 554 O SER A 37 -2.640 -2.477 2.767 1.00 0.00 O ATOM 555 CB SER A 37 -3.525 -4.609 5.137 1.00 0.00 C ATOM 556 OG SER A 37 -4.230 -5.800 5.457 1.00 0.00 O ATOM 0 H SER A 37 -3.448 -4.540 2.121 1.00 0.00 H new ATOM 0 HA SER A 37 -5.217 -3.637 4.223 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.493 -4.851 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.494 -3.956 6.009 1.00 0.00 H new ATOM 0 HG SER A 37 -3.788 -6.251 6.206 1.00 0.00 H new ATOM 562 N MET A 38 -3.724 -1.562 4.506 1.00 0.00 N ATOM 563 CA MET A 38 -3.029 -0.296 4.414 1.00 0.00 C ATOM 564 C MET A 38 -2.934 0.353 5.786 1.00 0.00 C ATOM 565 O MET A 38 -3.813 0.181 6.632 1.00 0.00 O ATOM 566 CB MET A 38 -3.734 0.666 3.441 1.00 0.00 C ATOM 567 CG MET A 38 -5.130 1.086 3.885 1.00 0.00 C ATOM 568 SD MET A 38 -5.868 2.332 2.810 1.00 0.00 S ATOM 569 CE MET A 38 -4.842 3.756 3.182 1.00 0.00 C ATOM 0 H MET A 38 -4.433 -1.601 5.238 1.00 0.00 H new ATOM 0 HA MET A 38 -2.028 -0.498 4.033 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.119 1.558 3.319 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.803 0.190 2.463 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.776 0.208 3.911 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.080 1.475 4.902 1.00 0.00 H new ATOM 0 HE1 MET A 38 -5.476 4.599 3.459 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.174 3.517 4.009 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.252 4.019 2.304 1.00 0.00 H new ATOM 579 N LYS A 39 -1.873 1.086 5.992 1.00 0.00 N ATOM 580 CA LYS A 39 -1.657 1.828 7.214 1.00 0.00 C ATOM 581 C LYS A 39 -1.605 3.302 6.900 1.00 0.00 C ATOM 582 O LYS A 39 -0.678 3.767 6.259 1.00 0.00 O ATOM 583 CB LYS A 39 -0.341 1.399 7.875 1.00 0.00 C ATOM 584 CG LYS A 39 0.113 2.304 9.020 1.00 0.00 C ATOM 585 CD LYS A 39 1.441 1.839 9.596 1.00 0.00 C ATOM 586 CE LYS A 39 2.052 2.877 10.534 1.00 0.00 C ATOM 587 NZ LYS A 39 1.185 3.176 11.698 1.00 0.00 N ATOM 0 H LYS A 39 -1.122 1.189 5.309 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.478 1.624 7.902 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.453 0.383 8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.441 1.373 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.208 3.329 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.644 2.310 9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.294 0.904 10.136 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.136 1.631 8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.018 2.517 10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.239 3.797 9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.689 3.807 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.313 3.640 11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.944 2.291 12.188 1.00 0.00 H new ATOM 601 N VAL A 40 -2.583 4.032 7.344 1.00 0.00 N ATOM 602 CA VAL A 40 -2.597 5.449 7.107 1.00 0.00 C ATOM 603 C VAL A 40 -2.575 6.194 8.423 1.00 0.00 C ATOM 604 O VAL A 40 -3.498 6.090 9.237 1.00 0.00 O ATOM 605 CB VAL A 40 -3.806 5.889 6.226 1.00 0.00 C ATOM 606 CG1 VAL A 40 -5.127 5.404 6.804 1.00 0.00 C ATOM 607 CG2 VAL A 40 -3.820 7.403 6.040 1.00 0.00 C ATOM 0 H VAL A 40 -3.380 3.675 7.871 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.698 5.702 6.544 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.685 5.424 5.248 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.946 5.730 6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.122 4.315 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.261 5.819 7.803 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.672 7.686 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.900 7.888 7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.898 7.718 5.552 1.00 0.00 H new ATOM 617 N SER A 41 -1.499 6.906 8.655 1.00 0.00 N ATOM 618 CA SER A 41 -1.357 7.651 9.881 1.00 0.00 C ATOM 619 C SER A 41 -1.074 9.124 9.597 1.00 0.00 C ATOM 620 O SER A 41 -0.144 9.461 8.858 1.00 0.00 O ATOM 621 CB SER A 41 -0.253 7.030 10.739 1.00 0.00 C ATOM 622 OG SER A 41 -0.561 5.670 11.039 1.00 0.00 O ATOM 0 H SER A 41 -0.711 6.985 8.012 1.00 0.00 H new ATOM 0 HA SER A 41 -2.296 7.602 10.433 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.700 7.086 10.213 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.140 7.596 11.663 1.00 0.00 H new ATOM 0 HG SER A 41 -0.171 5.430 11.905 1.00 0.00 H new ATOM 628 N LEU A 42 -1.880 9.993 10.196 1.00 0.00 N ATOM 629 CA LEU A 42 -1.752 11.436 10.017 1.00 0.00 C ATOM 630 C LEU A 42 -0.422 11.939 10.545 1.00 0.00 C ATOM 631 O LEU A 42 0.201 12.815 9.947 1.00 0.00 O ATOM 632 CB LEU A 42 -2.903 12.162 10.710 1.00 0.00 C ATOM 633 CG LEU A 42 -4.280 11.962 10.079 1.00 0.00 C ATOM 634 CD1 LEU A 42 -5.361 12.564 10.958 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.320 12.578 8.688 1.00 0.00 C ATOM 0 H LEU A 42 -2.640 9.719 10.819 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.793 11.646 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.946 11.831 11.748 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.681 13.229 10.725 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.467 10.892 9.989 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.335 12.412 10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.346 12.081 11.935 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.179 13.632 11.078 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.307 12.427 8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.113 13.646 8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.568 12.103 8.058 1.00 0.00 H new ATOM 647 N GLU A 43 0.007 11.382 11.669 1.00 0.00 N ATOM 648 CA GLU A 43 1.279 11.750 12.276 1.00 0.00 C ATOM 649 C GLU A 43 2.431 11.427 11.331 1.00 0.00 C ATOM 650 O GLU A 43 3.390 12.187 11.211 1.00 0.00 O ATOM 651 CB GLU A 43 1.477 11.007 13.592 1.00 0.00 C ATOM 652 CG GLU A 43 2.750 11.396 14.313 1.00 0.00 C ATOM 653 CD GLU A 43 2.974 10.607 15.570 1.00 0.00 C ATOM 654 OE1 GLU A 43 3.550 9.508 15.487 1.00 0.00 O ATOM 655 OE2 GLU A 43 2.594 11.083 16.651 1.00 0.00 O ATOM 0 H GLU A 43 -0.511 10.669 12.182 1.00 0.00 H new ATOM 0 HA GLU A 43 1.265 12.822 12.471 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.625 11.202 14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.491 9.935 13.397 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.599 11.253 13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.713 12.457 14.558 1.00 0.00 H new ATOM 662 N GLN A 44 2.315 10.298 10.661 1.00 0.00 N ATOM 663 CA GLN A 44 3.339 9.832 9.747 1.00 0.00 C ATOM 664 C GLN A 44 3.344 10.679 8.472 1.00 0.00 C ATOM 665 O GLN A 44 4.383 10.858 7.836 1.00 0.00 O ATOM 666 CB GLN A 44 3.083 8.358 9.415 1.00 0.00 C ATOM 667 CG GLN A 44 4.162 7.702 8.577 1.00 0.00 C ATOM 668 CD GLN A 44 3.896 6.226 8.342 1.00 0.00 C ATOM 669 OE1 GLN A 44 3.293 5.551 9.173 1.00 0.00 O ATOM 670 NE2 GLN A 44 4.328 5.722 7.205 1.00 0.00 N ATOM 0 H GLN A 44 1.509 9.678 10.735 1.00 0.00 H new ATOM 0 HA GLN A 44 4.317 9.930 10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.978 7.803 10.347 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.133 8.278 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.233 8.213 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.125 7.820 9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.825 6.315 6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.166 4.738 6.989 1.00 0.00 H new ATOM 679 N GLY A 45 2.177 11.195 8.108 1.00 0.00 N ATOM 680 CA GLY A 45 2.065 12.036 6.928 1.00 0.00 C ATOM 681 C GLY A 45 2.137 11.233 5.651 1.00 0.00 C ATOM 682 O GLY A 45 2.330 11.785 4.562 1.00 0.00 O ATOM 0 H GLY A 45 1.302 11.046 8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.122 12.582 6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.863 12.778 6.935 1.00 0.00 H new ATOM 686 N SER A 46 1.978 9.935 5.784 1.00 0.00 N ATOM 687 CA SER A 46 2.030 9.038 4.663 1.00 0.00 C ATOM 688 C SER A 46 1.265 7.768 4.981 1.00 0.00 C ATOM 689 O SER A 46 0.940 7.499 6.146 1.00 0.00 O ATOM 690 CB SER A 46 3.490 8.719 4.296 1.00 0.00 C ATOM 691 OG SER A 46 4.160 8.058 5.358 1.00 0.00 O ATOM 0 H SER A 46 1.809 9.475 6.679 1.00 0.00 H new ATOM 0 HA SER A 46 1.563 9.519 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.514 8.093 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.015 9.642 4.052 1.00 0.00 H new ATOM 0 HG SER A 46 5.084 7.868 5.093 1.00 0.00 H new ATOM 697 N ALA A 47 0.961 7.007 3.961 1.00 0.00 N ATOM 698 CA ALA A 47 0.254 5.774 4.132 1.00 0.00 C ATOM 699 C ALA A 47 1.094 4.625 3.628 1.00 0.00 C ATOM 700 O ALA A 47 1.696 4.709 2.564 1.00 0.00 O ATOM 701 CB ALA A 47 -1.080 5.820 3.401 1.00 0.00 C ATOM 0 H ALA A 47 1.198 7.228 2.994 1.00 0.00 H new ATOM 0 HA ALA A 47 0.057 5.626 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.605 4.875 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.686 6.634 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.907 5.984 2.337 1.00 0.00 H new ATOM 707 N THR A 48 1.151 3.572 4.393 1.00 0.00 N ATOM 708 CA THR A 48 1.876 2.407 3.999 1.00 0.00 C ATOM 709 C THR A 48 0.905 1.453 3.338 1.00 0.00 C ATOM 710 O THR A 48 -0.112 1.099 3.924 1.00 0.00 O ATOM 711 CB THR A 48 2.530 1.722 5.211 1.00 0.00 C ATOM 712 OG1 THR A 48 3.352 2.672 5.900 1.00 0.00 O ATOM 713 CG2 THR A 48 3.390 0.544 4.765 1.00 0.00 C ATOM 0 H THR A 48 0.697 3.501 5.303 1.00 0.00 H new ATOM 0 HA THR A 48 2.671 2.692 3.310 1.00 0.00 H new ATOM 0 HB THR A 48 1.746 1.352 5.871 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.770 2.242 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.843 0.074 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.768 -0.183 4.243 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.174 0.899 4.096 1.00 0.00 H new ATOM 721 N VAL A 49 1.194 1.053 2.130 1.00 0.00 N ATOM 722 CA VAL A 49 0.287 0.195 1.410 1.00 0.00 C ATOM 723 C VAL A 49 0.827 -1.214 1.301 1.00 0.00 C ATOM 724 O VAL A 49 2.031 -1.421 1.143 1.00 0.00 O ATOM 725 CB VAL A 49 -0.025 0.750 -0.002 1.00 0.00 C ATOM 726 CG1 VAL A 49 -0.771 2.073 0.098 1.00 0.00 C ATOM 727 CG2 VAL A 49 1.251 0.919 -0.820 1.00 0.00 C ATOM 0 H VAL A 49 2.044 1.304 1.624 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.640 0.169 1.982 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.661 0.028 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.982 2.448 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.708 1.923 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.158 2.797 0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.002 1.310 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.919 1.614 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.745 -0.047 -0.927 1.00 0.00 H new ATOM 737 N LYS A 50 -0.069 -2.175 1.412 1.00 0.00 N ATOM 738 CA LYS A 50 0.276 -3.573 1.303 1.00 0.00 C ATOM 739 C LYS A 50 -0.691 -4.245 0.349 1.00 0.00 C ATOM 740 O LYS A 50 -1.848 -4.506 0.701 1.00 0.00 O ATOM 741 CB LYS A 50 0.193 -4.224 2.686 1.00 0.00 C ATOM 742 CG LYS A 50 0.543 -5.700 2.722 1.00 0.00 C ATOM 743 CD LYS A 50 0.451 -6.229 4.139 1.00 0.00 C ATOM 744 CE LYS A 50 0.788 -7.704 4.217 1.00 0.00 C ATOM 745 NZ LYS A 50 0.707 -8.207 5.610 1.00 0.00 N ATOM 0 H LYS A 50 -1.060 -2.004 1.581 1.00 0.00 H new ATOM 0 HA LYS A 50 1.291 -3.681 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.861 -3.691 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.819 -4.096 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.134 -6.257 2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.551 -5.851 2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.130 -5.668 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.556 -6.067 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.103 -8.269 3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.792 -7.870 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.943 -9.220 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.379 -7.684 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.258 -8.071 5.973 1.00 0.00 H new ATOM 759 N TYR A 51 -0.225 -4.521 -0.849 1.00 0.00 N ATOM 760 CA TYR A 51 -1.064 -5.111 -1.875 1.00 0.00 C ATOM 761 C TYR A 51 -0.301 -6.153 -2.666 1.00 0.00 C ATOM 762 O TYR A 51 0.932 -6.180 -2.646 1.00 0.00 O ATOM 763 CB TYR A 51 -1.622 -4.027 -2.814 1.00 0.00 C ATOM 764 CG TYR A 51 -2.455 -2.979 -2.102 1.00 0.00 C ATOM 765 CD1 TYR A 51 -3.660 -3.320 -1.515 1.00 0.00 C ATOM 766 CD2 TYR A 51 -2.024 -1.663 -1.993 1.00 0.00 C ATOM 767 CE1 TYR A 51 -4.419 -2.387 -0.844 1.00 0.00 C ATOM 768 CE2 TYR A 51 -2.780 -0.721 -1.316 1.00 0.00 C ATOM 769 CZ TYR A 51 -3.976 -1.092 -0.745 1.00 0.00 C ATOM 770 OH TYR A 51 -4.727 -0.168 -0.061 1.00 0.00 O ATOM 0 H TYR A 51 0.737 -4.346 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.901 -5.603 -1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.792 -3.536 -3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.231 -4.502 -3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.013 -4.338 -1.584 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.086 -1.371 -2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.360 -2.674 -0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.433 0.299 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.275 0.701 -0.082 1.00 0.00 H new ATOM 780 N VAL A 52 -1.032 -7.027 -3.336 1.00 0.00 N ATOM 781 CA VAL A 52 -0.417 -8.049 -4.170 1.00 0.00 C ATOM 782 C VAL A 52 -0.022 -7.440 -5.518 1.00 0.00 C ATOM 783 O VAL A 52 -0.889 -7.012 -6.284 1.00 0.00 O ATOM 784 CB VAL A 52 -1.379 -9.242 -4.406 1.00 0.00 C ATOM 785 CG1 VAL A 52 -0.715 -10.316 -5.258 1.00 0.00 C ATOM 786 CG2 VAL A 52 -1.845 -9.825 -3.080 1.00 0.00 C ATOM 0 H VAL A 52 -2.052 -7.051 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 52 0.467 -8.421 -3.652 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.251 -8.871 -4.946 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.410 -11.142 -5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.437 -9.894 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.178 -10.682 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.519 -10.661 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.982 -10.174 -2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.368 -9.058 -2.509 1.00 0.00 H new ATOM 796 N PRO A 53 1.295 -7.422 -5.833 1.00 0.00 N ATOM 797 CA PRO A 53 1.823 -6.799 -7.066 1.00 0.00 C ATOM 798 C PRO A 53 1.302 -7.457 -8.339 1.00 0.00 C ATOM 799 O PRO A 53 1.249 -6.830 -9.393 1.00 0.00 O ATOM 800 CB PRO A 53 3.341 -6.989 -6.945 1.00 0.00 C ATOM 801 CG PRO A 53 3.507 -8.116 -5.986 1.00 0.00 C ATOM 802 CD PRO A 53 2.372 -7.996 -5.015 1.00 0.00 C ATOM 0 HA PRO A 53 1.513 -5.757 -7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 53 3.789 -7.222 -7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.825 -6.084 -6.579 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.480 -9.076 -6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.468 -8.056 -5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.091 -8.964 -4.601 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.627 -7.351 -4.174 1.00 0.00 H new ATOM 810 N SER A 54 0.932 -8.720 -8.237 1.00 0.00 N ATOM 811 CA SER A 54 0.385 -9.444 -9.367 1.00 0.00 C ATOM 812 C SER A 54 -0.932 -8.804 -9.823 1.00 0.00 C ATOM 813 O SER A 54 -1.188 -8.659 -11.022 1.00 0.00 O ATOM 814 CB SER A 54 0.169 -10.922 -8.998 1.00 0.00 C ATOM 815 OG SER A 54 -0.352 -11.666 -10.093 1.00 0.00 O ATOM 0 H SER A 54 1.001 -9.267 -7.379 1.00 0.00 H new ATOM 0 HA SER A 54 1.095 -9.394 -10.192 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.115 -11.359 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.516 -10.990 -8.153 1.00 0.00 H new ATOM 0 HG SER A 54 -0.476 -12.600 -9.824 1.00 0.00 H new ATOM 821 N VAL A 55 -1.755 -8.419 -8.857 1.00 0.00 N ATOM 822 CA VAL A 55 -3.058 -7.849 -9.146 1.00 0.00 C ATOM 823 C VAL A 55 -2.970 -6.329 -9.346 1.00 0.00 C ATOM 824 O VAL A 55 -3.484 -5.791 -10.329 1.00 0.00 O ATOM 825 CB VAL A 55 -4.062 -8.159 -8.014 1.00 0.00 C ATOM 826 CG1 VAL A 55 -5.442 -7.640 -8.364 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.104 -9.651 -7.723 1.00 0.00 C ATOM 0 H VAL A 55 -1.539 -8.493 -7.863 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.410 -8.306 -10.071 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.725 -7.648 -7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.133 -7.869 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.399 -6.561 -8.510 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.788 -8.116 -9.281 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.818 -9.846 -6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.410 -10.188 -8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.114 -9.990 -7.417 1.00 0.00 H new ATOM 837 N VAL A 56 -2.323 -5.649 -8.411 1.00 0.00 N ATOM 838 CA VAL A 56 -2.166 -4.197 -8.474 1.00 0.00 C ATOM 839 C VAL A 56 -0.727 -3.806 -8.195 1.00 0.00 C ATOM 840 O VAL A 56 0.028 -4.581 -7.630 1.00 0.00 O ATOM 841 CB VAL A 56 -3.104 -3.452 -7.482 1.00 0.00 C ATOM 842 CG1 VAL A 56 -4.563 -3.664 -7.849 1.00 0.00 C ATOM 843 CG2 VAL A 56 -2.847 -3.907 -6.054 1.00 0.00 C ATOM 0 H VAL A 56 -1.894 -6.080 -7.592 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.444 -3.897 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.885 -2.386 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.198 -3.133 -7.140 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.744 -3.283 -8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.795 -4.728 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.514 -3.373 -5.377 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.031 -4.978 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.812 -3.696 -5.786 1.00 0.00 H new ATOM 853 N CYS A 57 -0.355 -2.605 -8.573 1.00 0.00 N ATOM 854 CA CYS A 57 1.011 -2.153 -8.389 1.00 0.00 C ATOM 855 C CYS A 57 1.044 -0.749 -7.798 1.00 0.00 C ATOM 856 O CYS A 57 0.013 -0.066 -7.734 1.00 0.00 O ATOM 857 CB CYS A 57 1.753 -2.179 -9.721 1.00 0.00 C ATOM 858 SG CYS A 57 1.081 -1.042 -10.950 1.00 0.00 S ATOM 0 H CYS A 57 -0.975 -1.922 -9.009 1.00 0.00 H new ATOM 0 HA CYS A 57 1.505 -2.829 -7.691 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.801 -1.934 -9.548 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.725 -3.192 -10.123 1.00 0.00 H new ATOM 0 HG CYS A 57 1.773 -1.130 -12.047 1.00 0.00 H new ATOM 864 N LEU A 58 2.232 -0.316 -7.390 1.00 0.00 N ATOM 865 CA LEU A 58 2.416 0.988 -6.757 1.00 0.00 C ATOM 866 C LEU A 58 2.046 2.123 -7.700 1.00 0.00 C ATOM 867 O LEU A 58 1.461 3.123 -7.277 1.00 0.00 O ATOM 868 CB LEU A 58 3.861 1.155 -6.284 1.00 0.00 C ATOM 869 CG LEU A 58 4.307 0.220 -5.159 1.00 0.00 C ATOM 870 CD1 LEU A 58 5.783 0.414 -4.861 1.00 0.00 C ATOM 871 CD2 LEU A 58 3.472 0.447 -3.907 1.00 0.00 C ATOM 0 H LEU A 58 3.092 -0.855 -7.487 1.00 0.00 H new ATOM 0 HA LEU A 58 1.749 1.031 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.522 1.006 -7.138 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.997 2.184 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 58 4.154 -0.808 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.084 -0.259 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.367 0.195 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.960 1.445 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.806 -0.228 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.588 1.478 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.423 0.254 -4.130 1.00 0.00 H new ATOM 883 N GLN A 59 2.387 1.966 -8.975 1.00 0.00 N ATOM 884 CA GLN A 59 2.091 2.980 -9.979 1.00 0.00 C ATOM 885 C GLN A 59 0.586 3.211 -10.075 1.00 0.00 C ATOM 886 O GLN A 59 0.125 4.355 -10.113 1.00 0.00 O ATOM 887 CB GLN A 59 2.639 2.550 -11.340 1.00 0.00 C ATOM 888 CG GLN A 59 2.442 3.581 -12.437 1.00 0.00 C ATOM 889 CD GLN A 59 3.000 3.133 -13.773 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.962 2.361 -13.837 1.00 0.00 O ATOM 891 NE2 GLN A 59 2.403 3.610 -14.844 1.00 0.00 N ATOM 0 H GLN A 59 2.870 1.144 -9.337 1.00 0.00 H new ATOM 0 HA GLN A 59 2.571 3.912 -9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.704 2.338 -11.241 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.155 1.620 -11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.378 3.791 -12.545 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.922 4.514 -12.143 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.611 4.245 -14.746 1.00 0.00 H new ATOM 0 HE22 GLN A 59 2.732 3.344 -15.772 1.00 0.00 H new ATOM 900 N GLN A 60 -0.176 2.118 -10.091 1.00 0.00 N ATOM 901 CA GLN A 60 -1.630 2.198 -10.146 1.00 0.00 C ATOM 902 C GLN A 60 -2.189 2.853 -8.896 1.00 0.00 C ATOM 903 O GLN A 60 -3.099 3.670 -8.973 1.00 0.00 O ATOM 904 CB GLN A 60 -2.243 0.812 -10.330 1.00 0.00 C ATOM 905 CG GLN A 60 -2.013 0.216 -11.705 1.00 0.00 C ATOM 906 CD GLN A 60 -2.462 -1.227 -11.795 1.00 0.00 C ATOM 907 OE1 GLN A 60 -2.378 -1.976 -10.821 1.00 0.00 O ATOM 908 NE2 GLN A 60 -2.963 -1.616 -12.950 1.00 0.00 N ATOM 0 H GLN A 60 0.192 1.167 -10.067 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.894 2.814 -11.005 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.828 0.139 -9.579 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.316 0.873 -10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.549 0.807 -12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.953 0.279 -11.952 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.013 -0.961 -13.731 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.301 -2.572 -13.063 1.00 0.00 H new ATOM 917 N VAL A 61 -1.624 2.502 -7.749 1.00 0.00 N ATOM 918 CA VAL A 61 -2.059 3.071 -6.473 1.00 0.00 C ATOM 919 C VAL A 61 -1.832 4.583 -6.460 1.00 0.00 C ATOM 920 O VAL A 61 -2.725 5.363 -6.092 1.00 0.00 O ATOM 921 CB VAL A 61 -1.312 2.412 -5.280 1.00 0.00 C ATOM 922 CG1 VAL A 61 -1.614 3.130 -3.972 1.00 0.00 C ATOM 923 CG2 VAL A 61 -1.677 0.938 -5.172 1.00 0.00 C ATOM 0 H VAL A 61 -0.864 1.827 -7.672 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.124 2.869 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.242 2.497 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.076 2.644 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.297 4.170 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.685 3.090 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.145 0.492 -4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.751 0.840 -5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.396 0.425 -6.092 1.00 0.00 H new ATOM 933 N CYS A 62 -0.651 4.989 -6.899 1.00 0.00 N ATOM 934 CA CYS A 62 -0.299 6.394 -6.971 1.00 0.00 C ATOM 935 C CYS A 62 -1.223 7.109 -7.947 1.00 0.00 C ATOM 936 O CYS A 62 -1.655 8.239 -7.704 1.00 0.00 O ATOM 937 CB CYS A 62 1.156 6.549 -7.412 1.00 0.00 C ATOM 938 SG CYS A 62 2.359 5.989 -6.185 1.00 0.00 S ATOM 0 H CYS A 62 0.085 4.356 -7.213 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.414 6.840 -5.983 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.307 5.990 -8.335 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.346 7.598 -7.640 1.00 0.00 H new ATOM 0 HG CYS A 62 2.415 4.690 -6.193 1.00 0.00 H new ATOM 944 N HIS A 63 -1.526 6.436 -9.052 1.00 0.00 N ATOM 945 CA HIS A 63 -2.403 6.994 -10.066 1.00 0.00 C ATOM 946 C HIS A 63 -3.789 7.241 -9.510 1.00 0.00 C ATOM 947 O HIS A 63 -4.385 8.251 -9.790 1.00 0.00 O ATOM 948 CB HIS A 63 -2.503 6.090 -11.303 1.00 0.00 C ATOM 949 CG HIS A 63 -3.375 6.671 -12.389 1.00 0.00 C ATOM 950 ND1 HIS A 63 -2.946 7.660 -13.248 1.00 0.00 N ATOM 951 CD2 HIS A 63 -4.667 6.428 -12.721 1.00 0.00 C ATOM 952 CE1 HIS A 63 -3.934 8.000 -14.058 1.00 0.00 C ATOM 953 NE2 HIS A 63 -4.989 7.270 -13.760 1.00 0.00 N ATOM 0 H HIS A 63 -1.175 5.502 -9.265 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.961 7.943 -10.371 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.503 5.917 -11.701 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -2.900 5.120 -11.006 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.322 5.707 -12.256 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.884 8.750 -14.833 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.896 7.321 -14.224 1.00 0.00 H new ATOM 961 N GLN A 64 -4.290 6.307 -8.719 1.00 0.00 N ATOM 962 CA GLN A 64 -5.655 6.392 -8.212 1.00 0.00 C ATOM 963 C GLN A 64 -5.879 7.644 -7.370 1.00 0.00 C ATOM 964 O GLN A 64 -6.907 8.309 -7.503 1.00 0.00 O ATOM 965 CB GLN A 64 -6.003 5.146 -7.406 1.00 0.00 C ATOM 966 CG GLN A 64 -6.116 3.892 -8.258 1.00 0.00 C ATOM 967 CD GLN A 64 -6.519 2.679 -7.460 1.00 0.00 C ATOM 968 OE1 GLN A 64 -7.249 2.785 -6.487 1.00 0.00 O ATOM 969 NE2 GLN A 64 -6.048 1.519 -7.871 1.00 0.00 N ATOM 0 H GLN A 64 -3.775 5.481 -8.413 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.316 6.457 -9.076 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.241 4.991 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.947 5.310 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.847 4.060 -9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.159 3.701 -8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.441 1.476 -8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.291 0.664 -7.371 1.00 0.00 H new ATOM 978 N ILE A 65 -4.926 7.974 -6.519 1.00 0.00 N ATOM 979 CA ILE A 65 -5.051 9.176 -5.707 1.00 0.00 C ATOM 980 C ILE A 65 -4.755 10.450 -6.529 1.00 0.00 C ATOM 981 O ILE A 65 -5.458 11.458 -6.402 1.00 0.00 O ATOM 982 CB ILE A 65 -4.171 9.109 -4.431 1.00 0.00 C ATOM 983 CG1 ILE A 65 -4.351 10.368 -3.573 1.00 0.00 C ATOM 984 CG2 ILE A 65 -2.711 8.880 -4.779 1.00 0.00 C ATOM 985 CD1 ILE A 65 -3.703 10.275 -2.207 1.00 0.00 C ATOM 0 H ILE A 65 -4.070 7.440 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.089 9.230 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.503 8.255 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.933 11.222 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.416 10.561 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.121 8.838 -3.863 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.609 7.939 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.353 9.698 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.873 11.202 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.138 9.442 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.631 10.114 -2.323 1.00 0.00 H new ATOM 997 N GLY A 66 -3.732 10.385 -7.385 1.00 0.00 N ATOM 998 CA GLY A 66 -3.380 11.521 -8.238 1.00 0.00 C ATOM 999 C GLY A 66 -4.486 11.874 -9.216 1.00 0.00 C ATOM 1000 O GLY A 66 -4.748 13.046 -9.487 1.00 0.00 O ATOM 0 H GLY A 66 -3.138 9.565 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.161 12.387 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.470 11.289 -8.791 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.127 10.844 -9.733 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.225 10.955 -10.697 1.00 0.00 C ATOM 1006 C ASP A 67 -7.369 11.772 -10.111 1.00 0.00 C ATOM 1007 O ASP A 67 -8.062 12.501 -10.821 1.00 0.00 O ATOM 1008 CB ASP A 67 -6.722 9.545 -11.053 1.00 0.00 C ATOM 1009 CG ASP A 67 -7.732 9.513 -12.175 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -7.320 9.409 -13.346 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -8.949 9.541 -11.885 1.00 0.00 O ATOM 0 H ASP A 67 -4.899 9.879 -9.494 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.865 11.460 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.867 8.929 -11.331 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.166 9.093 -10.166 1.00 0.00 H new ATOM 1016 N MET A 68 -7.552 11.646 -8.805 1.00 0.00 N ATOM 1017 CA MET A 68 -8.623 12.334 -8.096 1.00 0.00 C ATOM 1018 C MET A 68 -8.279 13.803 -7.825 1.00 0.00 C ATOM 1019 O MET A 68 -9.086 14.541 -7.253 1.00 0.00 O ATOM 1020 CB MET A 68 -8.941 11.614 -6.786 1.00 0.00 C ATOM 1021 CG MET A 68 -9.451 10.193 -6.978 1.00 0.00 C ATOM 1022 SD MET A 68 -10.932 10.109 -8.009 1.00 0.00 S ATOM 1023 CE MET A 68 -12.112 11.004 -6.993 1.00 0.00 C ATOM 0 H MET A 68 -6.964 11.065 -8.207 1.00 0.00 H new ATOM 0 HA MET A 68 -9.504 12.316 -8.738 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.043 11.588 -6.169 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.688 12.188 -6.238 1.00 0.00 H new ATOM 0 HG2 MET A 68 -8.665 9.589 -7.431 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.668 9.756 -6.003 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.119 10.842 -7.377 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.053 10.645 -5.966 1.00 0.00 H new ATOM 0 HE3 MET A 68 -11.880 12.069 -7.019 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.087 14.226 -8.232 1.00 0.00 N ATOM 1034 CA GLY A 69 -6.706 15.614 -8.052 1.00 0.00 C ATOM 1035 C GLY A 69 -5.904 15.864 -6.791 1.00 0.00 C ATOM 1036 O GLY A 69 -5.777 17.010 -6.346 1.00 0.00 O ATOM 0 H GLY A 69 -6.384 13.638 -8.679 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.122 15.937 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.606 16.229 -8.028 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.386 14.809 -6.198 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.576 14.941 -5.000 1.00 0.00 C ATOM 1042 C PHE A 70 -3.143 14.531 -5.284 1.00 0.00 C ATOM 1043 O PHE A 70 -2.891 13.638 -6.097 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.155 14.116 -3.854 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.521 14.566 -3.425 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.671 15.612 -2.528 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.655 13.945 -3.918 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.926 16.028 -2.131 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -8.911 14.355 -3.525 1.00 0.00 C ATOM 1050 CZ PHE A 70 -9.048 15.399 -2.631 1.00 0.00 C ATOM 0 H PHE A 70 -5.510 13.850 -6.524 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.584 15.988 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.204 13.070 -4.158 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.479 14.169 -3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.796 16.107 -2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.555 13.129 -4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.030 16.844 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.788 13.860 -3.916 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.032 15.723 -2.324 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.210 15.188 -4.635 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.808 14.917 -4.853 1.00 0.00 C ATOM 1062 C GLU A 71 -0.315 13.811 -3.929 1.00 0.00 C ATOM 1063 O GLU A 71 -0.552 13.841 -2.725 1.00 0.00 O ATOM 1064 CB GLU A 71 0.032 16.185 -4.639 1.00 0.00 C ATOM 1065 CG GLU A 71 -0.257 17.319 -5.619 1.00 0.00 C ATOM 1066 CD GLU A 71 -1.606 17.983 -5.404 1.00 0.00 C ATOM 1067 OE1 GLU A 71 -2.020 18.149 -4.234 1.00 0.00 O ATOM 1068 OE2 GLU A 71 -2.249 18.365 -6.406 1.00 0.00 O ATOM 0 H GLU A 71 -2.398 15.918 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.693 14.587 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.137 16.548 -3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.087 15.921 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.527 18.072 -5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.212 16.929 -6.636 1.00 0.00 H new ATOM 1075 N ALA A 72 0.364 12.838 -4.494 1.00 0.00 N ATOM 1076 CA ALA A 72 0.918 11.755 -3.712 1.00 0.00 C ATOM 1077 C ALA A 72 2.210 11.261 -4.325 1.00 0.00 C ATOM 1078 O ALA A 72 2.329 11.161 -5.554 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.078 10.621 -3.597 1.00 0.00 C ATOM 0 H ALA A 72 0.546 12.774 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 72 1.133 12.131 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.355 9.815 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.985 10.981 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.323 10.250 -4.592 1.00 0.00 H new ATOM 1085 N SER A 73 3.174 10.955 -3.480 1.00 0.00 N ATOM 1086 CA SER A 73 4.456 10.464 -3.939 1.00 0.00 C ATOM 1087 C SER A 73 4.799 9.163 -3.235 1.00 0.00 C ATOM 1088 O SER A 73 4.541 9.012 -2.042 1.00 0.00 O ATOM 1089 CB SER A 73 5.543 11.512 -3.691 1.00 0.00 C ATOM 1090 OG SER A 73 5.230 12.730 -4.356 1.00 0.00 O ATOM 0 H SER A 73 3.092 11.039 -2.467 1.00 0.00 H new ATOM 0 HA SER A 73 4.398 10.274 -5.011 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.644 11.692 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.504 11.137 -4.043 1.00 0.00 H new ATOM 0 HG SER A 73 5.936 13.388 -4.184 1.00 0.00 H new ATOM 1096 N ILE A 74 5.390 8.240 -3.965 1.00 0.00 N ATOM 1097 CA ILE A 74 5.718 6.937 -3.422 1.00 0.00 C ATOM 1098 C ILE A 74 7.192 6.888 -2.995 1.00 0.00 C ATOM 1099 O ILE A 74 8.073 7.391 -3.700 1.00 0.00 O ATOM 1100 CB ILE A 74 5.414 5.815 -4.460 1.00 0.00 C ATOM 1101 CG1 ILE A 74 5.546 4.426 -3.834 1.00 0.00 C ATOM 1102 CG2 ILE A 74 6.301 5.940 -5.690 1.00 0.00 C ATOM 1103 CD1 ILE A 74 4.478 4.124 -2.806 1.00 0.00 C ATOM 0 H ILE A 74 5.655 8.369 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 74 5.097 6.767 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 74 4.380 5.942 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.503 3.675 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.526 4.339 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.063 5.142 -6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.130 6.906 -6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 74 7.347 5.862 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.633 3.123 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.535 4.853 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.496 4.178 -3.275 1.00 0.00 H new ATOM 1115 N ALA A 75 7.443 6.316 -1.831 1.00 0.00 N ATOM 1116 CA ALA A 75 8.787 6.207 -1.292 1.00 0.00 C ATOM 1117 C ALA A 75 8.877 5.026 -0.339 1.00 0.00 C ATOM 1118 O ALA A 75 7.866 4.551 0.165 1.00 0.00 O ATOM 1119 CB ALA A 75 9.176 7.496 -0.575 1.00 0.00 C ATOM 0 H ALA A 75 6.721 5.914 -1.233 1.00 0.00 H new ATOM 0 HA ALA A 75 9.481 6.044 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.186 7.400 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.141 8.328 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.479 7.682 0.242 1.00 0.00 H new ATOM 1125 N GLU A 76 10.072 4.548 -0.103 1.00 0.00 N ATOM 1126 CA GLU A 76 10.267 3.439 0.803 1.00 0.00 C ATOM 1127 C GLU A 76 11.327 3.775 1.847 1.00 0.00 C ATOM 1128 O GLU A 76 10.944 4.119 2.988 1.00 0.00 O ATOM 1129 CB GLU A 76 10.602 2.147 0.037 1.00 0.00 C ATOM 1130 CG GLU A 76 11.686 2.294 -1.023 1.00 0.00 C ATOM 1131 CD GLU A 76 11.885 1.025 -1.821 1.00 0.00 C ATOM 1132 OE1 GLU A 76 12.584 0.109 -1.334 1.00 0.00 O ATOM 1133 OE2 GLU A 76 11.344 0.931 -2.940 1.00 0.00 O ATOM 1134 OXT GLU A 76 12.528 3.740 1.520 1.00 0.00 O ATOM 0 H GLU A 76 10.928 4.908 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 76 9.331 3.261 1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.915 1.388 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.694 1.779 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.422 3.108 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.625 2.570 -0.543 1.00 0.00 H new TER 1141 GLU A 76