USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 538 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 74 THR OG1 : rot 78:sc= 1 USER MOD Set 1.2: A 77 THR OG1 : rot 137:sc= 1.37 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -3.63! C(o=-3.6!,f=-5!) USER MOD Set 2.2: A 65 HIS : no HD1:sc= 0 X(o=-3.6,f=-3.7) USER MOD Set 3.1: A 52 HIS : no HE2:sc= -0.665 X(o=-0.66,f=-0.66) USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0 X(o=-0.66,f=-0.66) USER MOD Set 4.1: A 49 HIS : no HE2:sc= -0.52! C(o=-0.52!,f=-4.7!) USER MOD Set 4.2: A 62 HIS : no HD1:sc= 0 X(o=-0.52,f=-0.55) USER MOD Set 5.1: A 9 HIS : no HE2:sc= 0.438 K(o=0.44,f=-1.5!) USER MOD Set 5.2: A 39 HIS : no HD1:sc= 0 X(o=0.44,f=0.41) USER MOD Set 6.1: A 17 ASN : amide:sc= 0.131 K(o=-1.5,f=-2) USER MOD Set 6.2: A 18 CYS SG : rot 180:sc= -1.66! USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0361 USER MOD Single : A 12 MET CE :methyl -119:sc= -4.59! (180deg=-11.9!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -93:sc= 1.21 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.948 K(o=-0.95,f=-2!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0202 USER MOD Single : A 36 GLN : amide:sc= -0.172 X(o=-0.17,f=0.015) USER MOD Single : A 37 SER OG : rot 51:sc= 0.318 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0583 USER MOD Single : A 41 SER OG : rot 180:sc= 0.264 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -162:sc= -0.655 (180deg=-0.889) USER MOD Single : A 58 CYS SG : rot 56:sc= 0.278 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot 180:sc= 0.0233 USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N GLU A 3 12.869 -8.577 3.254 1.00 0.00 N ATOM 25 CA GLU A 3 13.075 -7.142 3.158 1.00 0.00 C ATOM 26 C GLU A 3 11.730 -6.413 3.131 1.00 0.00 C ATOM 27 O GLU A 3 10.681 -7.043 3.013 1.00 0.00 O ATOM 28 CB GLU A 3 13.915 -6.790 1.929 1.00 0.00 C ATOM 29 CG GLU A 3 13.139 -7.061 0.639 1.00 0.00 C ATOM 30 CD GLU A 3 14.085 -7.459 -0.496 1.00 0.00 C ATOM 31 OE1 GLU A 3 14.113 -8.632 -0.897 1.00 0.00 O ATOM 32 OE2 GLU A 3 14.808 -6.500 -0.965 1.00 0.00 O ATOM 0 HA GLU A 3 13.626 -6.814 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.204 -5.740 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.835 -7.374 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.413 -7.856 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.578 -6.171 0.354 1.00 0.00 H new ATOM 40 N THR A 4 11.806 -5.095 3.243 1.00 0.00 N ATOM 41 CA THR A 4 10.608 -4.273 3.233 1.00 0.00 C ATOM 42 C THR A 4 10.077 -4.122 1.806 1.00 0.00 C ATOM 43 O THR A 4 10.807 -4.344 0.841 1.00 0.00 O ATOM 44 CB THR A 4 10.944 -2.939 3.901 1.00 0.00 C ATOM 45 OG1 THR A 4 12.069 -2.459 3.171 1.00 0.00 O ATOM 46 CG2 THR A 4 11.471 -3.114 5.327 1.00 0.00 C ATOM 0 H THR A 4 12.679 -4.576 3.341 1.00 0.00 H new ATOM 0 HA THR A 4 9.802 -4.741 3.798 1.00 0.00 H new ATOM 0 HB THR A 4 10.056 -2.308 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.352 -1.595 3.537 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.694 -2.137 5.755 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.716 -3.613 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.379 -3.717 5.308 1.00 0.00 H new ATOM 54 N LEU A 5 8.810 -3.744 1.717 1.00 0.00 N ATOM 55 CA LEU A 5 8.173 -3.560 0.424 1.00 0.00 C ATOM 56 C LEU A 5 8.866 -2.419 -0.323 1.00 0.00 C ATOM 57 O LEU A 5 9.059 -2.493 -1.536 1.00 0.00 O ATOM 58 CB LEU A 5 6.666 -3.359 0.593 1.00 0.00 C ATOM 59 CG LEU A 5 5.791 -3.846 -0.564 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.121 -5.179 -0.222 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.770 -2.779 -0.966 1.00 0.00 C ATOM 0 H LEU A 5 8.208 -3.560 2.519 1.00 0.00 H new ATOM 0 HA LEU A 5 8.285 -4.456 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.351 -3.872 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.476 -2.296 0.744 1.00 0.00 H new ATOM 0 HG LEU A 5 6.433 -4.020 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.505 -5.502 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.886 -5.930 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.495 -5.055 0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.161 -3.150 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.128 -2.550 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.293 -1.875 -1.280 1.00 0.00 H new ATOM 73 N ALA A 6 9.222 -1.390 0.431 1.00 0.00 N ATOM 74 CA ALA A 6 9.889 -0.235 -0.144 1.00 0.00 C ATOM 75 C ALA A 6 11.213 -0.676 -0.772 1.00 0.00 C ATOM 76 O ALA A 6 11.675 -0.075 -1.740 1.00 0.00 O ATOM 77 CB ALA A 6 10.082 0.833 0.934 1.00 0.00 C ATOM 0 H ALA A 6 9.061 -1.332 1.437 1.00 0.00 H new ATOM 0 HA ALA A 6 9.280 0.206 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.583 1.700 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.111 1.133 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.691 0.428 1.743 1.00 0.00 H new ATOM 83 N GLU A 7 11.785 -1.722 -0.194 1.00 0.00 N ATOM 84 CA GLU A 7 13.047 -2.251 -0.684 1.00 0.00 C ATOM 85 C GLU A 7 12.835 -2.982 -2.011 1.00 0.00 C ATOM 86 O GLU A 7 13.421 -2.612 -3.028 1.00 0.00 O ATOM 87 CB GLU A 7 13.695 -3.171 0.352 1.00 0.00 C ATOM 88 CG GLU A 7 14.608 -2.381 1.292 1.00 0.00 C ATOM 89 CD GLU A 7 15.807 -1.805 0.536 1.00 0.00 C ATOM 90 OE1 GLU A 7 16.323 -2.447 -0.391 1.00 0.00 O ATOM 91 OE2 GLU A 7 16.201 -0.645 0.941 1.00 0.00 O ATOM 0 H GLU A 7 11.398 -2.218 0.609 1.00 0.00 H new ATOM 0 HA GLU A 7 13.727 -1.417 -0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.921 -3.676 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.271 -3.946 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.044 -1.572 1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.957 -3.030 2.095 1.00 0.00 H new ATOM 99 N PHE A 8 11.997 -4.007 -1.959 1.00 0.00 N ATOM 100 CA PHE A 8 11.701 -4.793 -3.145 1.00 0.00 C ATOM 101 C PHE A 8 11.454 -3.889 -4.354 1.00 0.00 C ATOM 102 O PHE A 8 11.884 -4.200 -5.464 1.00 0.00 O ATOM 103 CB PHE A 8 10.428 -5.588 -2.848 1.00 0.00 C ATOM 104 CG PHE A 8 9.882 -6.360 -4.051 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.574 -7.418 -4.551 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.704 -5.987 -4.621 1.00 0.00 C ATOM 107 CE1 PHE A 8 10.067 -8.135 -5.667 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.198 -6.703 -5.737 1.00 0.00 C ATOM 109 CZ PHE A 8 8.890 -7.762 -6.237 1.00 0.00 C ATOM 0 H PHE A 8 11.514 -4.311 -1.114 1.00 0.00 H new ATOM 0 HA PHE A 8 12.542 -5.445 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.631 -6.291 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.660 -4.903 -2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.510 -7.713 -4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.154 -5.146 -4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.616 -8.976 -6.063 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.263 -6.407 -6.189 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.505 -8.306 -7.086 1.00 0.00 H new ATOM 119 N HIS A 9 10.762 -2.789 -4.099 1.00 0.00 N ATOM 120 CA HIS A 9 10.452 -1.838 -5.153 1.00 0.00 C ATOM 121 C HIS A 9 11.722 -1.083 -5.553 1.00 0.00 C ATOM 122 O HIS A 9 11.936 -0.802 -6.731 1.00 0.00 O ATOM 123 CB HIS A 9 9.317 -0.905 -4.727 1.00 0.00 C ATOM 124 CG HIS A 9 7.938 -1.490 -4.916 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.328 -2.293 -3.968 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.056 -1.380 -5.951 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.135 -2.645 -4.423 1.00 0.00 C ATOM 128 NE2 HIS A 9 5.968 -2.079 -5.652 1.00 0.00 N ATOM 0 H HIS A 9 10.407 -2.535 -3.177 1.00 0.00 H new ATOM 0 HA HIS A 9 10.095 -2.371 -6.034 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.449 -0.645 -3.677 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.389 0.021 -5.297 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.729 -2.567 -3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.216 -0.819 -6.860 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.420 -3.271 -3.910 1.00 0.00 H new ATOM 136 N VAL A 10 12.530 -0.777 -4.549 1.00 0.00 N ATOM 137 CA VAL A 10 13.772 -0.060 -4.780 1.00 0.00 C ATOM 138 C VAL A 10 14.639 -0.854 -5.759 1.00 0.00 C ATOM 139 O VAL A 10 15.049 -0.332 -6.795 1.00 0.00 O ATOM 140 CB VAL A 10 14.474 0.215 -3.448 1.00 0.00 C ATOM 141 CG1 VAL A 10 15.974 0.434 -3.654 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.839 1.408 -2.731 1.00 0.00 C ATOM 0 H VAL A 10 12.349 -1.013 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 10 13.573 0.911 -5.234 1.00 0.00 H new ATOM 0 HB VAL A 10 14.348 -0.663 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.449 0.627 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.413 -0.457 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.130 1.288 -4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.356 1.583 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.920 2.295 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.788 1.197 -2.535 1.00 0.00 H new ATOM 152 N GLU A 11 14.893 -2.103 -5.397 1.00 0.00 N ATOM 153 CA GLU A 11 15.704 -2.974 -6.230 1.00 0.00 C ATOM 154 C GLU A 11 15.157 -3.002 -7.659 1.00 0.00 C ATOM 155 O GLU A 11 15.870 -3.365 -8.593 1.00 0.00 O ATOM 156 CB GLU A 11 15.775 -4.385 -5.643 1.00 0.00 C ATOM 157 CG GLU A 11 16.884 -5.201 -6.309 1.00 0.00 C ATOM 158 CD GLU A 11 16.681 -6.699 -6.072 1.00 0.00 C ATOM 159 OE1 GLU A 11 15.749 -7.295 -6.634 1.00 0.00 O ATOM 160 OE2 GLU A 11 17.533 -7.246 -5.272 1.00 0.00 O ATOM 0 H GLU A 11 14.551 -2.533 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 11 16.718 -2.576 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.956 -4.327 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.817 -4.888 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.897 -4.997 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.853 -4.895 -5.914 1.00 0.00 H new ATOM 168 N MET A 12 13.897 -2.612 -7.783 1.00 0.00 N ATOM 169 CA MET A 12 13.246 -2.588 -9.082 1.00 0.00 C ATOM 170 C MET A 12 13.173 -1.162 -9.632 1.00 0.00 C ATOM 171 O MET A 12 12.394 -0.883 -10.542 1.00 0.00 O ATOM 172 CB MET A 12 11.833 -3.160 -8.956 1.00 0.00 C ATOM 173 CG MET A 12 11.765 -4.582 -9.516 1.00 0.00 C ATOM 174 SD MET A 12 11.123 -5.696 -8.277 1.00 0.00 S ATOM 175 CE MET A 12 9.743 -4.734 -7.681 1.00 0.00 C ATOM 0 H MET A 12 13.310 -2.310 -7.006 1.00 0.00 H new ATOM 0 HA MET A 12 13.832 -3.194 -9.773 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.530 -3.163 -7.909 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.129 -2.521 -9.490 1.00 0.00 H new ATOM 0 HG2 MET A 12 11.129 -4.603 -10.401 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.757 -4.906 -9.829 1.00 0.00 H new ATOM 0 HE1 MET A 12 9.879 -4.521 -6.621 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.686 -3.797 -8.235 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.820 -5.296 -7.822 1.00 0.00 H new ATOM 185 N GLY A 13 13.994 -0.297 -9.056 1.00 0.00 N ATOM 186 CA GLY A 13 14.032 1.093 -9.476 1.00 0.00 C ATOM 187 C GLY A 13 14.936 1.919 -8.559 1.00 0.00 C ATOM 188 O GLY A 13 16.071 2.229 -8.915 1.00 0.00 O ATOM 0 H GLY A 13 14.639 -0.532 -8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.394 1.157 -10.502 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.024 1.507 -9.467 1.00 0.00 H new ATOM 192 N GLY A 14 14.397 2.253 -7.395 1.00 0.00 N ATOM 193 CA GLY A 14 15.140 3.037 -6.424 1.00 0.00 C ATOM 194 C GLY A 14 14.197 3.705 -5.421 1.00 0.00 C ATOM 195 O GLY A 14 13.006 3.398 -5.384 1.00 0.00 O ATOM 0 H GLY A 14 13.454 1.995 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.844 2.395 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.727 3.798 -6.938 1.00 0.00 H new ATOM 199 N CYS A 15 14.765 4.605 -4.632 1.00 0.00 N ATOM 200 CA CYS A 15 13.989 5.319 -3.632 1.00 0.00 C ATOM 201 C CYS A 15 13.060 6.297 -4.352 1.00 0.00 C ATOM 202 O CYS A 15 12.098 6.791 -3.766 1.00 0.00 O ATOM 203 CB CYS A 15 14.890 6.028 -2.618 1.00 0.00 C ATOM 204 SG CYS A 15 15.898 4.913 -1.575 1.00 0.00 S ATOM 0 H CYS A 15 15.753 4.856 -4.665 1.00 0.00 H new ATOM 0 HA CYS A 15 13.392 4.611 -3.057 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.557 6.702 -3.155 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.268 6.645 -1.970 1.00 0.00 H new ATOM 0 HG CYS A 15 16.621 5.619 -0.758 1.00 0.00 H new ATOM 209 N GLU A 16 13.379 6.547 -5.613 1.00 0.00 N ATOM 210 CA GLU A 16 12.585 7.458 -6.420 1.00 0.00 C ATOM 211 C GLU A 16 11.377 6.727 -7.010 1.00 0.00 C ATOM 212 O GLU A 16 10.699 7.253 -7.892 1.00 0.00 O ATOM 213 CB GLU A 16 13.432 8.095 -7.523 1.00 0.00 C ATOM 214 CG GLU A 16 14.363 9.166 -6.949 1.00 0.00 C ATOM 215 CD GLU A 16 14.102 10.526 -7.600 1.00 0.00 C ATOM 216 OE1 GLU A 16 12.944 10.960 -7.686 1.00 0.00 O ATOM 217 OE2 GLU A 16 15.155 11.137 -8.025 1.00 0.00 O ATOM 0 H GLU A 16 14.177 6.134 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 16 12.223 8.260 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.021 7.327 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.781 8.539 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.217 9.241 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.401 8.875 -7.110 1.00 0.00 H new ATOM 225 N ASN A 17 11.144 5.527 -6.500 1.00 0.00 N ATOM 226 CA ASN A 17 10.029 4.720 -6.965 1.00 0.00 C ATOM 227 C ASN A 17 8.719 5.319 -6.449 1.00 0.00 C ATOM 228 O ASN A 17 7.665 5.129 -7.053 1.00 0.00 O ATOM 229 CB ASN A 17 10.131 3.286 -6.441 1.00 0.00 C ATOM 230 CG ASN A 17 9.368 2.316 -7.345 1.00 0.00 C ATOM 231 OD1 ASN A 17 9.931 1.423 -7.957 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.058 2.541 -7.396 1.00 0.00 N ATOM 0 H ASN A 17 11.708 5.094 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 17 10.053 4.709 -8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.178 2.989 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.731 3.236 -5.428 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.461 1.948 -7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.651 3.306 -6.858 1.00 0.00 H new ATOM 239 N CYS A 18 8.830 6.032 -5.338 1.00 0.00 N ATOM 240 CA CYS A 18 7.668 6.661 -4.734 1.00 0.00 C ATOM 241 C CYS A 18 8.119 7.959 -4.061 1.00 0.00 C ATOM 242 O CYS A 18 7.487 8.423 -3.113 1.00 0.00 O ATOM 243 CB CYS A 18 6.964 5.723 -3.751 1.00 0.00 C ATOM 244 SG CYS A 18 7.097 3.993 -4.332 1.00 0.00 S ATOM 0 H CYS A 18 9.707 6.188 -4.840 1.00 0.00 H new ATOM 0 HA CYS A 18 6.933 6.890 -5.506 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.411 5.818 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.915 6.004 -3.656 1.00 0.00 H new ATOM 0 HG CYS A 18 6.498 3.205 -3.489 1.00 0.00 H new ATOM 249 N HIS A 19 9.209 8.507 -4.576 1.00 0.00 N ATOM 250 CA HIS A 19 9.753 9.742 -4.037 1.00 0.00 C ATOM 251 C HIS A 19 10.349 10.579 -5.170 1.00 0.00 C ATOM 252 O HIS A 19 11.102 10.066 -5.996 1.00 0.00 O ATOM 253 CB HIS A 19 10.759 9.451 -2.922 1.00 0.00 C ATOM 254 CG HIS A 19 10.164 8.751 -1.724 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.935 9.096 -1.188 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.640 7.723 -0.965 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.694 8.305 -0.153 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.752 7.455 -0.016 1.00 0.00 N ATOM 0 H HIS A 19 9.731 8.118 -5.362 1.00 0.00 H new ATOM 0 HA HIS A 19 8.954 10.327 -3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.565 8.837 -3.325 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.206 10.390 -2.596 1.00 0.00 H new ATOM 0 HD1 HIS A 19 8.320 9.834 -1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.581 7.213 -1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.814 8.329 0.473 1.00 0.00 H new ATOM 266 N ALA A 20 9.989 11.854 -5.174 1.00 0.00 N ATOM 267 CA ALA A 20 10.478 12.767 -6.193 1.00 0.00 C ATOM 268 C ALA A 20 11.700 13.516 -5.656 1.00 0.00 C ATOM 269 O ALA A 20 11.590 14.293 -4.709 1.00 0.00 O ATOM 270 CB ALA A 20 9.353 13.715 -6.613 1.00 0.00 C ATOM 0 H ALA A 20 9.364 12.277 -4.487 1.00 0.00 H new ATOM 0 HA ALA A 20 10.790 12.218 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.720 14.400 -7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.520 13.137 -7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.015 14.285 -5.747 1.00 0.00 H new ATOM 276 N ASP A 21 12.837 13.255 -6.284 1.00 0.00 N ATOM 277 CA ASP A 21 14.078 13.894 -5.881 1.00 0.00 C ATOM 278 C ASP A 21 14.307 13.658 -4.387 1.00 0.00 C ATOM 279 O ASP A 21 14.940 14.472 -3.716 1.00 0.00 O ATOM 280 CB ASP A 21 14.022 15.404 -6.118 1.00 0.00 C ATOM 281 CG ASP A 21 14.316 15.845 -7.554 1.00 0.00 C ATOM 282 OD1 ASP A 21 15.233 16.642 -7.802 1.00 0.00 O ATOM 283 OD2 ASP A 21 13.546 15.329 -8.451 1.00 0.00 O ATOM 0 H ASP A 21 12.925 12.610 -7.069 1.00 0.00 H new ATOM 0 HA ASP A 21 14.886 13.465 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.032 15.764 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.736 15.888 -5.452 1.00 0.00 H new ATOM 289 N GLY A 22 13.780 12.540 -3.910 1.00 0.00 N ATOM 290 CA GLY A 22 13.918 12.187 -2.507 1.00 0.00 C ATOM 291 C GLY A 22 13.322 13.271 -1.607 1.00 0.00 C ATOM 292 O GLY A 22 14.024 13.853 -0.782 1.00 0.00 O ATOM 0 H GLY A 22 13.257 11.867 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.419 11.237 -2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.972 12.048 -2.265 1.00 0.00 H new ATOM 296 N GLU A 23 12.032 13.509 -1.796 1.00 0.00 N ATOM 297 CA GLU A 23 11.333 14.512 -1.012 1.00 0.00 C ATOM 298 C GLU A 23 9.854 14.147 -0.880 1.00 0.00 C ATOM 299 O GLU A 23 8.964 14.849 -1.356 1.00 0.00 O ATOM 300 CB GLU A 23 11.502 15.903 -1.626 1.00 0.00 C ATOM 301 CG GLU A 23 11.375 16.993 -0.559 1.00 0.00 C ATOM 302 CD GLU A 23 11.749 18.363 -1.127 1.00 0.00 C ATOM 303 OE1 GLU A 23 10.913 19.278 -1.139 1.00 0.00 O ATOM 304 OE2 GLU A 23 12.959 18.460 -1.565 1.00 0.00 O ATOM 0 H GLU A 23 11.453 13.024 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 23 11.771 14.535 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.476 15.975 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.750 16.057 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.353 17.019 -0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.022 16.757 0.286 1.00 0.00 H new ATOM 312 N PRO A 24 9.608 13.017 -0.214 1.00 0.00 N ATOM 313 CA PRO A 24 8.285 12.484 0.030 1.00 0.00 C ATOM 314 C PRO A 24 7.307 13.629 0.254 1.00 0.00 C ATOM 315 O PRO A 24 7.638 14.556 0.991 1.00 0.00 O ATOM 316 CB PRO A 24 8.431 11.634 1.290 1.00 0.00 C ATOM 317 CG PRO A 24 9.878 11.209 1.278 1.00 0.00 C ATOM 318 CD PRO A 24 10.631 12.168 0.358 1.00 0.00 C ATOM 0 HA PRO A 24 7.903 11.898 -0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.190 12.205 2.187 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.762 10.774 1.271 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.294 11.238 2.285 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.973 10.183 0.923 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.365 12.753 0.913 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.174 11.627 -0.417 1.00 0.00 H new ATOM 326 N SER A 25 6.143 13.547 -0.374 1.00 0.00 N ATOM 327 CA SER A 25 5.140 14.588 -0.229 1.00 0.00 C ATOM 328 C SER A 25 4.810 14.794 1.250 1.00 0.00 C ATOM 329 O SER A 25 5.090 13.929 2.079 1.00 0.00 O ATOM 330 CB SER A 25 3.872 14.244 -1.013 1.00 0.00 C ATOM 331 OG SER A 25 3.297 15.394 -1.629 1.00 0.00 O ATOM 0 H SER A 25 5.872 12.776 -0.984 1.00 0.00 H new ATOM 0 HA SER A 25 5.546 15.514 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.108 13.503 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.143 13.789 -0.342 1.00 0.00 H new ATOM 0 HG SER A 25 2.622 15.781 -1.033 1.00 0.00 H new ATOM 337 N LYS A 26 4.219 15.944 1.537 1.00 0.00 N ATOM 338 CA LYS A 26 3.847 16.275 2.903 1.00 0.00 C ATOM 339 C LYS A 26 2.361 15.973 3.110 1.00 0.00 C ATOM 340 O LYS A 26 1.706 16.601 3.940 1.00 0.00 O ATOM 341 CB LYS A 26 4.232 17.719 3.228 1.00 0.00 C ATOM 342 CG LYS A 26 3.365 18.708 2.447 1.00 0.00 C ATOM 343 CD LYS A 26 3.856 20.143 2.643 1.00 0.00 C ATOM 344 CE LYS A 26 2.809 20.986 3.375 1.00 0.00 C ATOM 345 NZ LYS A 26 2.694 22.324 2.752 1.00 0.00 N ATOM 0 H LYS A 26 3.988 16.659 0.847 1.00 0.00 H new ATOM 0 HA LYS A 26 4.400 15.655 3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.119 17.897 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.282 17.882 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.384 18.455 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.329 18.627 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.786 20.138 3.211 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.076 20.591 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.843 20.481 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.085 21.089 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.980 22.883 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.612 22.809 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.409 22.220 1.757 1.00 0.00 H new ATOM 358 N ASP A 27 1.873 15.011 2.340 1.00 0.00 N ATOM 359 CA ASP A 27 0.477 14.618 2.429 1.00 0.00 C ATOM 360 C ASP A 27 0.374 13.094 2.341 1.00 0.00 C ATOM 361 O ASP A 27 -0.055 12.441 3.291 1.00 0.00 O ATOM 362 CB ASP A 27 -0.337 15.214 1.279 1.00 0.00 C ATOM 363 CG ASP A 27 0.391 15.273 -0.066 1.00 0.00 C ATOM 364 OD1 ASP A 27 0.238 14.381 -0.914 1.00 0.00 O ATOM 365 OD2 ASP A 27 1.153 16.301 -0.229 1.00 0.00 O ATOM 0 H ASP A 27 2.419 14.493 1.652 1.00 0.00 H new ATOM 0 HA ASP A 27 0.083 14.984 3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.248 14.628 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.642 16.224 1.555 1.00 0.00 H new ATOM 371 N GLY A 28 0.774 12.571 1.191 1.00 0.00 N ATOM 372 CA GLY A 28 0.732 11.136 0.967 1.00 0.00 C ATOM 373 C GLY A 28 0.063 10.809 -0.369 1.00 0.00 C ATOM 374 O GLY A 28 0.507 9.916 -1.088 1.00 0.00 O ATOM 0 H GLY A 28 1.129 13.115 0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.745 10.733 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.187 10.653 1.778 1.00 0.00 H new ATOM 378 N ALA A 29 -0.996 11.552 -0.661 1.00 0.00 N ATOM 379 CA ALA A 29 -1.731 11.352 -1.899 1.00 0.00 C ATOM 380 C ALA A 29 -0.748 11.317 -3.071 1.00 0.00 C ATOM 381 O ALA A 29 -0.676 10.356 -3.834 1.00 0.00 O ATOM 382 CB ALA A 29 -2.782 12.454 -2.052 1.00 0.00 C ATOM 0 H ALA A 29 -1.362 12.292 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.258 10.398 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.333 12.305 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.473 12.417 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.289 13.426 -2.075 1.00 0.00 H new ATOM 388 N TYR A 30 0.018 12.403 -3.198 1.00 0.00 N ATOM 389 CA TYR A 30 0.998 12.525 -4.258 1.00 0.00 C ATOM 390 C TYR A 30 1.714 11.197 -4.456 1.00 0.00 C ATOM 391 O TYR A 30 1.916 10.795 -5.600 1.00 0.00 O ATOM 392 CB TYR A 30 1.991 13.629 -3.905 1.00 0.00 C ATOM 393 CG TYR A 30 3.027 13.872 -4.977 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.663 13.819 -6.328 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.352 14.151 -4.619 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.624 14.044 -7.321 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.312 14.376 -5.612 1.00 0.00 C ATOM 398 CZ TYR A 30 4.948 14.323 -6.963 1.00 0.00 C ATOM 399 OH TYR A 30 5.884 14.542 -7.931 1.00 0.00 O ATOM 0 H TYR A 30 -0.029 13.208 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 30 0.500 12.787 -5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.444 14.554 -3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.496 13.369 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.641 13.605 -6.604 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.633 14.192 -3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.344 14.002 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.334 14.591 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 30 6.751 14.723 -7.512 1.00 0.00 H new ATOM 409 N GLU A 31 2.079 10.551 -3.358 1.00 0.00 N ATOM 410 CA GLU A 31 2.769 9.275 -3.435 1.00 0.00 C ATOM 411 C GLU A 31 1.813 8.184 -3.921 1.00 0.00 C ATOM 412 O GLU A 31 2.111 7.475 -4.882 1.00 0.00 O ATOM 413 CB GLU A 31 3.386 8.903 -2.085 1.00 0.00 C ATOM 414 CG GLU A 31 4.884 9.214 -2.062 1.00 0.00 C ATOM 415 CD GLU A 31 5.130 10.705 -1.821 1.00 0.00 C ATOM 416 OE1 GLU A 31 5.227 11.480 -2.784 1.00 0.00 O ATOM 417 OE2 GLU A 31 5.220 11.049 -0.581 1.00 0.00 O ATOM 0 H GLU A 31 1.910 10.888 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 31 3.582 9.366 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.885 9.453 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.228 7.842 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.368 8.630 -1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.336 8.915 -3.008 1.00 0.00 H new ATOM 425 N PHE A 32 0.684 8.082 -3.235 1.00 0.00 N ATOM 426 CA PHE A 32 -0.317 7.089 -3.584 1.00 0.00 C ATOM 427 C PHE A 32 -0.514 7.019 -5.100 1.00 0.00 C ATOM 428 O PHE A 32 -0.910 5.982 -5.631 1.00 0.00 O ATOM 429 CB PHE A 32 -1.629 7.527 -2.931 1.00 0.00 C ATOM 430 CG PHE A 32 -2.867 6.819 -3.485 1.00 0.00 C ATOM 431 CD1 PHE A 32 -2.848 5.474 -3.687 1.00 0.00 C ATOM 432 CD2 PHE A 32 -3.987 7.534 -3.776 1.00 0.00 C ATOM 433 CE1 PHE A 32 -3.997 4.817 -4.200 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.136 6.877 -4.290 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.116 5.531 -4.491 1.00 0.00 C ATOM 0 H PHE A 32 0.441 8.671 -2.439 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.000 6.105 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.568 7.344 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.748 8.602 -3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.959 4.906 -3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.002 8.602 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.982 3.749 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.025 7.445 -4.521 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.990 5.030 -4.882 1.00 0.00 H new ATOM 445 N GLU A 33 -0.228 8.135 -5.754 1.00 0.00 N ATOM 446 CA GLU A 33 -0.369 8.214 -7.198 1.00 0.00 C ATOM 447 C GLU A 33 0.614 7.260 -7.880 1.00 0.00 C ATOM 448 O GLU A 33 0.253 6.565 -8.829 1.00 0.00 O ATOM 449 CB GLU A 33 -0.172 9.648 -7.691 1.00 0.00 C ATOM 450 CG GLU A 33 -1.482 10.228 -8.230 1.00 0.00 C ATOM 451 CD GLU A 33 -1.229 11.108 -9.456 1.00 0.00 C ATOM 452 OE1 GLU A 33 -1.814 10.868 -10.523 1.00 0.00 O ATOM 453 OE2 GLU A 33 -0.391 12.071 -9.272 1.00 0.00 O ATOM 0 H GLU A 33 0.101 8.992 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.382 7.911 -7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.196 10.269 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.587 9.666 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.161 9.417 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.972 10.814 -7.452 1.00 0.00 H new ATOM 461 N GLN A 34 1.836 7.257 -7.369 1.00 0.00 N ATOM 462 CA GLN A 34 2.874 6.399 -7.917 1.00 0.00 C ATOM 463 C GLN A 34 2.378 4.954 -8.003 1.00 0.00 C ATOM 464 O GLN A 34 2.776 4.210 -8.897 1.00 0.00 O ATOM 465 CB GLN A 34 4.156 6.491 -7.087 1.00 0.00 C ATOM 466 CG GLN A 34 4.772 7.888 -7.182 1.00 0.00 C ATOM 467 CD GLN A 34 4.762 8.394 -8.626 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.980 7.655 -9.571 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.498 9.693 -8.741 1.00 0.00 N ATOM 0 H GLN A 34 2.131 7.834 -6.582 1.00 0.00 H new ATOM 0 HA GLN A 34 3.108 6.742 -8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.937 6.257 -6.045 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.874 5.749 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.217 8.578 -6.547 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.796 7.864 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.325 10.254 -7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.469 10.128 -9.663 1.00 0.00 H new ATOM 478 N CYS A 35 1.517 4.601 -7.060 1.00 0.00 N ATOM 479 CA CYS A 35 0.962 3.259 -7.018 1.00 0.00 C ATOM 480 C CYS A 35 -0.262 3.215 -7.935 1.00 0.00 C ATOM 481 O CYS A 35 -1.325 2.742 -7.535 1.00 0.00 O ATOM 482 CB CYS A 35 0.621 2.832 -5.589 1.00 0.00 C ATOM 483 SG CYS A 35 1.633 3.627 -4.288 1.00 0.00 S ATOM 0 H CYS A 35 1.190 5.221 -6.319 1.00 0.00 H new ATOM 0 HA CYS A 35 1.705 2.545 -7.373 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.429 3.054 -5.399 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.737 1.751 -5.510 1.00 0.00 H new ATOM 0 HG CYS A 35 1.257 3.194 -3.121 1.00 0.00 H new ATOM 488 N GLN A 36 -0.072 3.716 -9.147 1.00 0.00 N ATOM 489 CA GLN A 36 -1.148 3.740 -10.123 1.00 0.00 C ATOM 490 C GLN A 36 -0.577 3.720 -11.543 1.00 0.00 C ATOM 491 O GLN A 36 -0.684 4.704 -12.273 1.00 0.00 O ATOM 492 CB GLN A 36 -2.052 4.956 -9.913 1.00 0.00 C ATOM 493 CG GLN A 36 -3.519 4.537 -9.802 1.00 0.00 C ATOM 494 CD GLN A 36 -4.238 5.339 -8.715 1.00 0.00 C ATOM 495 OE1 GLN A 36 -4.939 4.802 -7.873 1.00 0.00 O ATOM 496 NE2 GLN A 36 -4.025 6.650 -8.780 1.00 0.00 N ATOM 0 H GLN A 36 0.811 4.108 -9.475 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.758 2.847 -9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.752 5.485 -9.008 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.931 5.651 -10.744 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.017 4.688 -10.760 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.581 3.473 -9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.426 7.034 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.460 7.272 -8.099 1.00 0.00 H new ATOM 505 N SER A 37 0.018 2.589 -11.891 1.00 0.00 N ATOM 506 CA SER A 37 0.606 2.428 -13.210 1.00 0.00 C ATOM 507 C SER A 37 0.992 0.965 -13.436 1.00 0.00 C ATOM 508 O SER A 37 0.347 0.262 -14.213 1.00 0.00 O ATOM 509 CB SER A 37 1.829 3.331 -13.382 1.00 0.00 C ATOM 510 OG SER A 37 1.531 4.492 -14.153 1.00 0.00 O ATOM 0 H SER A 37 0.106 1.775 -11.283 1.00 0.00 H new ATOM 0 HA SER A 37 -0.136 2.721 -13.953 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.198 3.632 -12.402 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.629 2.770 -13.866 1.00 0.00 H new ATOM 0 HG SER A 37 0.737 4.934 -13.786 1.00 0.00 H new ATOM 516 N CYS A 38 2.041 0.548 -12.743 1.00 0.00 N ATOM 517 CA CYS A 38 2.520 -0.819 -12.858 1.00 0.00 C ATOM 518 C CYS A 38 1.494 -1.744 -12.203 1.00 0.00 C ATOM 519 O CYS A 38 1.588 -2.965 -12.321 1.00 0.00 O ATOM 520 CB CYS A 38 3.912 -0.984 -12.245 1.00 0.00 C ATOM 521 SG CYS A 38 4.944 0.477 -12.631 1.00 0.00 S ATOM 0 H CYS A 38 2.573 1.133 -12.099 1.00 0.00 H new ATOM 0 HA CYS A 38 2.625 -1.083 -13.910 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.830 -1.107 -11.165 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.385 -1.886 -12.633 1.00 0.00 H new ATOM 0 HG CYS A 38 6.123 0.327 -12.104 1.00 0.00 H new ATOM 526 N HIS A 39 0.536 -1.128 -11.525 1.00 0.00 N ATOM 527 CA HIS A 39 -0.507 -1.882 -10.850 1.00 0.00 C ATOM 528 C HIS A 39 -1.867 -1.528 -11.454 1.00 0.00 C ATOM 529 O HIS A 39 -2.321 -2.177 -12.395 1.00 0.00 O ATOM 530 CB HIS A 39 -0.451 -1.652 -9.338 1.00 0.00 C ATOM 531 CG HIS A 39 0.784 -2.215 -8.677 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.094 -3.563 -8.691 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.783 -1.597 -7.984 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.230 -3.739 -8.032 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.655 -2.519 -7.594 1.00 0.00 N ATOM 0 H HIS A 39 0.460 -0.115 -11.429 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.347 -2.949 -11.002 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.500 -0.581 -9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.332 -2.100 -8.880 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.853 -0.538 -7.786 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.731 -4.682 -7.870 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.503 -2.344 -7.055 1.00 0.00 H new ATOM 543 N GLY A 40 -2.481 -0.500 -10.887 1.00 0.00 N ATOM 544 CA GLY A 40 -3.781 -0.052 -11.358 1.00 0.00 C ATOM 545 C GLY A 40 -4.543 0.678 -10.250 1.00 0.00 C ATOM 546 O GLY A 40 -3.936 1.247 -9.344 1.00 0.00 O ATOM 0 H GLY A 40 -2.103 0.036 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.653 0.611 -12.214 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.362 -0.908 -11.701 1.00 0.00 H new ATOM 550 N SER A 41 -5.863 0.638 -10.359 1.00 0.00 N ATOM 551 CA SER A 41 -6.715 1.289 -9.378 1.00 0.00 C ATOM 552 C SER A 41 -7.444 0.238 -8.538 1.00 0.00 C ATOM 553 O SER A 41 -7.780 -0.835 -9.036 1.00 0.00 O ATOM 554 CB SER A 41 -7.723 2.220 -10.054 1.00 0.00 C ATOM 555 OG SER A 41 -8.942 2.309 -9.323 1.00 0.00 O ATOM 0 H SER A 41 -6.363 0.165 -11.112 1.00 0.00 H new ATOM 0 HA SER A 41 -6.084 1.893 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.287 3.214 -10.154 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.930 1.859 -11.062 1.00 0.00 H new ATOM 0 HG SER A 41 -9.558 2.914 -9.787 1.00 0.00 H new ATOM 561 N LEU A 42 -7.666 0.583 -7.279 1.00 0.00 N ATOM 562 CA LEU A 42 -8.349 -0.317 -6.365 1.00 0.00 C ATOM 563 C LEU A 42 -9.697 -0.721 -6.967 1.00 0.00 C ATOM 564 O LEU A 42 -10.158 -1.844 -6.768 1.00 0.00 O ATOM 565 CB LEU A 42 -8.460 0.312 -4.975 1.00 0.00 C ATOM 566 CG LEU A 42 -7.148 0.787 -4.348 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.345 2.106 -3.597 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.543 -0.297 -3.453 1.00 0.00 C ATOM 0 H LEU A 42 -7.385 1.474 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.772 -1.232 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.140 1.162 -5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.918 -0.415 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.435 0.976 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.397 2.421 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.698 2.870 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.081 1.967 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.611 0.067 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.243 -0.542 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.343 -1.189 -4.046 1.00 0.00 H new ATOM 580 N ALA A 43 -10.291 0.217 -7.689 1.00 0.00 N ATOM 581 CA ALA A 43 -11.577 -0.027 -8.321 1.00 0.00 C ATOM 582 C ALA A 43 -11.390 -0.994 -9.491 1.00 0.00 C ATOM 583 O ALA A 43 -12.363 -1.420 -10.111 1.00 0.00 O ATOM 584 CB ALA A 43 -12.193 1.304 -8.757 1.00 0.00 C ATOM 0 H ALA A 43 -9.906 1.148 -7.851 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.268 -0.491 -7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.157 1.121 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.333 1.943 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.528 1.798 -9.466 1.00 0.00 H new ATOM 590 N GLU A 44 -10.132 -1.313 -9.759 1.00 0.00 N ATOM 591 CA GLU A 44 -9.805 -2.222 -10.845 1.00 0.00 C ATOM 592 C GLU A 44 -9.025 -3.425 -10.312 1.00 0.00 C ATOM 593 O GLU A 44 -8.260 -4.049 -11.047 1.00 0.00 O ATOM 594 CB GLU A 44 -9.020 -1.503 -11.944 1.00 0.00 C ATOM 595 CG GLU A 44 -9.508 -1.926 -13.331 1.00 0.00 C ATOM 596 CD GLU A 44 -10.291 -0.798 -14.005 1.00 0.00 C ATOM 597 OE1 GLU A 44 -11.134 -0.157 -13.360 1.00 0.00 O ATOM 598 OE2 GLU A 44 -9.998 -0.595 -15.245 1.00 0.00 O ATOM 0 H GLU A 44 -9.327 -0.958 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.735 -2.582 -11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.130 -0.425 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.958 -1.727 -11.844 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.656 -2.203 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.139 -2.810 -13.244 1.00 0.00 H new ATOM 606 N MET A 45 -9.245 -3.716 -9.038 1.00 0.00 N ATOM 607 CA MET A 45 -8.572 -4.834 -8.399 1.00 0.00 C ATOM 608 C MET A 45 -9.578 -5.900 -7.957 1.00 0.00 C ATOM 609 O MET A 45 -10.761 -5.815 -8.284 1.00 0.00 O ATOM 610 CB MET A 45 -7.792 -4.333 -7.182 1.00 0.00 C ATOM 611 CG MET A 45 -6.648 -3.410 -7.607 1.00 0.00 C ATOM 612 SD MET A 45 -5.336 -3.469 -6.398 1.00 0.00 S ATOM 613 CE MET A 45 -4.380 -2.050 -6.909 1.00 0.00 C ATOM 0 H MET A 45 -9.880 -3.197 -8.431 1.00 0.00 H new ATOM 0 HA MET A 45 -7.889 -5.282 -9.120 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.464 -3.800 -6.509 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.392 -5.182 -6.627 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.269 -3.713 -8.583 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.013 -2.388 -7.710 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.515 -1.939 -6.255 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.043 -2.189 -7.936 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.998 -1.154 -6.849 1.00 0.00 H new ATOM 623 N ASP A 46 -9.070 -6.878 -7.222 1.00 0.00 N ATOM 624 CA ASP A 46 -9.910 -7.958 -6.732 1.00 0.00 C ATOM 625 C ASP A 46 -11.151 -7.370 -6.060 1.00 0.00 C ATOM 626 O ASP A 46 -11.300 -6.151 -5.981 1.00 0.00 O ATOM 627 CB ASP A 46 -9.168 -8.806 -5.696 1.00 0.00 C ATOM 628 CG ASP A 46 -7.796 -8.268 -5.284 1.00 0.00 C ATOM 629 OD1 ASP A 46 -7.567 -7.049 -5.265 1.00 0.00 O ATOM 630 OD2 ASP A 46 -6.930 -9.170 -4.968 1.00 0.00 O ATOM 0 H ASP A 46 -8.088 -6.945 -6.954 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.184 -8.584 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.791 -8.892 -4.805 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.042 -9.813 -6.095 1.00 0.00 H new ATOM 636 N ASP A 47 -12.011 -8.262 -5.592 1.00 0.00 N ATOM 637 CA ASP A 47 -13.235 -7.846 -4.929 1.00 0.00 C ATOM 638 C ASP A 47 -12.935 -7.537 -3.461 1.00 0.00 C ATOM 639 O ASP A 47 -13.851 -7.326 -2.668 1.00 0.00 O ATOM 640 CB ASP A 47 -14.289 -8.954 -4.973 1.00 0.00 C ATOM 641 CG ASP A 47 -15.738 -8.467 -5.051 1.00 0.00 C ATOM 642 OD1 ASP A 47 -16.434 -8.367 -4.030 1.00 0.00 O ATOM 643 OD2 ASP A 47 -16.153 -8.179 -6.238 1.00 0.00 O ATOM 0 H ASP A 47 -11.884 -9.272 -5.659 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.616 -6.965 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.089 -9.591 -5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.178 -9.576 -4.085 1.00 0.00 H new ATOM 649 N ASN A 48 -11.649 -7.521 -3.144 1.00 0.00 N ATOM 650 CA ASN A 48 -11.217 -7.241 -1.785 1.00 0.00 C ATOM 651 C ASN A 48 -10.687 -5.808 -1.708 1.00 0.00 C ATOM 652 O ASN A 48 -10.774 -5.165 -0.663 1.00 0.00 O ATOM 653 CB ASN A 48 -10.090 -8.185 -1.360 1.00 0.00 C ATOM 654 CG ASN A 48 -10.470 -9.644 -1.620 1.00 0.00 C ATOM 655 OD1 ASN A 48 -11.602 -9.970 -1.939 1.00 0.00 O ATOM 656 ND2 ASN A 48 -9.465 -10.500 -1.467 1.00 0.00 N ATOM 0 H ASN A 48 -10.892 -7.697 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.072 -7.379 -1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.180 -7.940 -1.907 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.873 -8.045 -0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.617 -11.497 -1.618 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.542 -10.160 -1.198 1.00 0.00 H new ATOM 663 N HIS A 49 -10.148 -5.349 -2.829 1.00 0.00 N ATOM 664 CA HIS A 49 -9.604 -4.004 -2.901 1.00 0.00 C ATOM 665 C HIS A 49 -10.707 -3.025 -3.309 1.00 0.00 C ATOM 666 O HIS A 49 -10.744 -1.892 -2.833 1.00 0.00 O ATOM 667 CB HIS A 49 -8.394 -3.957 -3.836 1.00 0.00 C ATOM 668 CG HIS A 49 -7.134 -4.536 -3.239 1.00 0.00 C ATOM 669 ND1 HIS A 49 -6.896 -5.898 -3.167 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.045 -3.926 -2.689 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.715 -6.087 -2.596 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.190 -4.863 -2.301 1.00 0.00 N ATOM 0 H HIS A 49 -10.077 -5.885 -3.694 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.243 -3.701 -1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.633 -4.500 -4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.207 -2.921 -4.120 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.523 -6.631 -3.497 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.903 -2.860 -2.587 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.250 -7.042 -2.399 1.00 0.00 H new ATOM 680 N LYS A 50 -11.578 -3.499 -4.188 1.00 0.00 N ATOM 681 CA LYS A 50 -12.679 -2.680 -4.665 1.00 0.00 C ATOM 682 C LYS A 50 -13.440 -2.106 -3.468 1.00 0.00 C ATOM 683 O LYS A 50 -13.517 -0.897 -3.263 1.00 0.00 O ATOM 684 CB LYS A 50 -13.561 -3.476 -5.629 1.00 0.00 C ATOM 685 CG LYS A 50 -12.996 -3.434 -7.051 1.00 0.00 C ATOM 686 CD LYS A 50 -14.031 -3.924 -8.066 1.00 0.00 C ATOM 687 CE LYS A 50 -14.078 -5.452 -8.108 1.00 0.00 C ATOM 688 NZ LYS A 50 -13.791 -5.943 -9.474 1.00 0.00 N ATOM 0 H LYS A 50 -11.543 -4.439 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.302 -1.834 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.632 -4.510 -5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.572 -3.069 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.694 -2.416 -7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.102 -4.054 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.015 -3.534 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.787 -3.537 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.351 -5.863 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.060 -5.800 -7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.827 -6.982 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.500 -5.566 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.844 -5.627 -9.765 1.00 0.00 H new ATOM 701 N PRO A 51 -14.007 -3.015 -2.672 1.00 0.00 N ATOM 702 CA PRO A 51 -14.771 -2.697 -1.485 1.00 0.00 C ATOM 703 C PRO A 51 -14.313 -1.357 -0.927 1.00 0.00 C ATOM 704 O PRO A 51 -15.161 -0.546 -0.557 1.00 0.00 O ATOM 705 CB PRO A 51 -14.466 -3.830 -0.507 1.00 0.00 C ATOM 706 CG PRO A 51 -14.319 -5.062 -1.541 1.00 0.00 C ATOM 707 CD PRO A 51 -13.936 -4.445 -2.884 1.00 0.00 C ATOM 0 HA PRO A 51 -15.840 -2.613 -1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.554 -3.654 0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.268 -3.985 0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.557 -5.765 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.253 -5.618 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.934 -4.750 -3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.618 -4.762 -3.673 1.00 0.00 H new ATOM 715 N HIS A 52 -13.005 -1.151 -0.875 1.00 0.00 N ATOM 716 CA HIS A 52 -12.463 0.094 -0.358 1.00 0.00 C ATOM 717 C HIS A 52 -12.507 1.165 -1.449 1.00 0.00 C ATOM 718 O HIS A 52 -13.165 2.192 -1.291 1.00 0.00 O ATOM 719 CB HIS A 52 -11.058 -0.119 0.209 1.00 0.00 C ATOM 720 CG HIS A 52 -11.014 -1.021 1.418 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.361 -2.242 1.419 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.546 -0.868 2.665 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.502 -2.790 2.617 1.00 0.00 C ATOM 724 NE2 HIS A 52 -11.237 -1.938 3.387 1.00 0.00 N ATOM 0 H HIS A 52 -12.305 -1.826 -1.183 1.00 0.00 H new ATOM 0 HA HIS A 52 -13.076 0.445 0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.423 -0.541 -0.570 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.634 0.849 0.475 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.857 -2.650 0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -12.121 -0.020 3.007 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.104 -3.744 2.929 1.00 0.00 H new ATOM 732 N ASP A 53 -11.797 0.888 -2.534 1.00 0.00 N ATOM 733 CA ASP A 53 -11.746 1.815 -3.651 1.00 0.00 C ATOM 734 C ASP A 53 -12.148 3.211 -3.170 1.00 0.00 C ATOM 735 O ASP A 53 -13.325 3.566 -3.198 1.00 0.00 O ATOM 736 CB ASP A 53 -12.719 1.399 -4.757 1.00 0.00 C ATOM 737 CG ASP A 53 -12.990 2.469 -5.816 1.00 0.00 C ATOM 738 OD1 ASP A 53 -12.081 3.203 -6.230 1.00 0.00 O ATOM 739 OD2 ASP A 53 -14.212 2.534 -6.224 1.00 0.00 O ATOM 0 H ASP A 53 -11.253 0.035 -2.662 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.729 1.813 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.325 0.511 -5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.666 1.115 -4.299 1.00 0.00 H new ATOM 745 N GLY A 54 -11.147 3.964 -2.738 1.00 0.00 N ATOM 746 CA GLY A 54 -11.382 5.313 -2.251 1.00 0.00 C ATOM 747 C GLY A 54 -11.780 5.300 -0.774 1.00 0.00 C ATOM 748 O GLY A 54 -12.887 5.706 -0.422 1.00 0.00 O ATOM 0 H GLY A 54 -10.172 3.666 -2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.482 5.913 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.169 5.784 -2.840 1.00 0.00 H new ATOM 752 N LEU A 55 -10.856 4.831 0.052 1.00 0.00 N ATOM 753 CA LEU A 55 -11.097 4.760 1.483 1.00 0.00 C ATOM 754 C LEU A 55 -9.769 4.913 2.227 1.00 0.00 C ATOM 755 O LEU A 55 -9.682 5.659 3.202 1.00 0.00 O ATOM 756 CB LEU A 55 -11.856 3.480 1.836 1.00 0.00 C ATOM 757 CG LEU A 55 -13.383 3.580 1.823 1.00 0.00 C ATOM 758 CD1 LEU A 55 -14.022 2.277 2.307 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.861 4.788 2.631 1.00 0.00 C ATOM 0 H LEU A 55 -9.939 4.496 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.739 5.581 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.557 2.699 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.541 3.157 2.828 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.706 3.734 0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.107 2.375 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.720 1.459 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.694 2.067 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.950 4.835 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -13.526 4.690 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.448 5.700 2.201 1.00 0.00 H new ATOM 771 N LEU A 56 -8.768 4.195 1.740 1.00 0.00 N ATOM 772 CA LEU A 56 -7.449 4.241 2.348 1.00 0.00 C ATOM 773 C LEU A 56 -6.388 4.017 1.269 1.00 0.00 C ATOM 774 O LEU A 56 -6.655 3.376 0.254 1.00 0.00 O ATOM 775 CB LEU A 56 -7.360 3.253 3.512 1.00 0.00 C ATOM 776 CG LEU A 56 -8.349 2.085 3.478 1.00 0.00 C ATOM 777 CD1 LEU A 56 -8.382 1.436 2.094 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.036 1.071 4.580 1.00 0.00 C ATOM 0 H LEU A 56 -8.844 3.578 0.931 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.263 5.224 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.349 2.846 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.509 3.803 4.441 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.348 2.476 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.092 0.609 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.688 2.175 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.390 1.061 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.753 0.251 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.028 0.680 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.104 1.558 5.553 1.00 0.00 H new ATOM 790 N MET A 57 -5.206 4.557 1.525 1.00 0.00 N ATOM 791 CA MET A 57 -4.103 4.424 0.589 1.00 0.00 C ATOM 792 C MET A 57 -3.499 3.020 0.648 1.00 0.00 C ATOM 793 O MET A 57 -3.787 2.255 1.568 1.00 0.00 O ATOM 794 CB MET A 57 -3.024 5.458 0.919 1.00 0.00 C ATOM 795 CG MET A 57 -3.108 6.659 -0.026 1.00 0.00 C ATOM 796 SD MET A 57 -4.508 7.679 0.405 1.00 0.00 S ATOM 797 CE MET A 57 -3.975 9.240 -0.277 1.00 0.00 C ATOM 0 H MET A 57 -4.988 5.088 2.368 1.00 0.00 H new ATOM 0 HA MET A 57 -4.485 4.593 -0.418 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.139 5.793 1.950 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.039 4.998 0.842 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.190 7.244 0.033 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.201 6.316 -1.056 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.557 10.048 0.165 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.918 9.391 -0.057 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.123 9.235 -1.357 1.00 0.00 H new ATOM 807 N CYS A 58 -2.673 2.722 -0.344 1.00 0.00 N ATOM 808 CA CYS A 58 -2.027 1.423 -0.416 1.00 0.00 C ATOM 809 C CYS A 58 -1.163 1.247 0.835 1.00 0.00 C ATOM 810 O CYS A 58 -1.489 0.448 1.711 1.00 0.00 O ATOM 811 CB CYS A 58 -1.210 1.268 -1.700 1.00 0.00 C ATOM 812 SG CYS A 58 -2.059 1.827 -3.222 1.00 0.00 S ATOM 0 H CYS A 58 -2.436 3.359 -1.105 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.783 0.639 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.281 1.828 -1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.938 0.219 -1.817 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.436 3.063 -3.079 1.00 0.00 H new ATOM 817 N ALA A 59 -0.078 2.006 0.877 1.00 0.00 N ATOM 818 CA ALA A 59 0.835 1.943 2.006 1.00 0.00 C ATOM 819 C ALA A 59 0.031 1.803 3.300 1.00 0.00 C ATOM 820 O ALA A 59 0.266 0.886 4.085 1.00 0.00 O ATOM 821 CB ALA A 59 1.731 3.183 2.007 1.00 0.00 C ATOM 0 H ALA A 59 0.189 2.667 0.148 1.00 0.00 H new ATOM 0 HA ALA A 59 1.485 1.071 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.416 3.136 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.302 3.220 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.114 4.078 2.089 1.00 0.00 H new ATOM 827 N ASP A 60 -0.901 2.727 3.482 1.00 0.00 N ATOM 828 CA ASP A 60 -1.742 2.718 4.668 1.00 0.00 C ATOM 829 C ASP A 60 -2.043 1.271 5.063 1.00 0.00 C ATOM 830 O ASP A 60 -2.185 0.963 6.245 1.00 0.00 O ATOM 831 CB ASP A 60 -3.073 3.423 4.404 1.00 0.00 C ATOM 832 CG ASP A 60 -2.969 4.928 4.150 1.00 0.00 C ATOM 833 OD1 ASP A 60 -1.867 5.473 3.983 1.00 0.00 O ATOM 834 OD2 ASP A 60 -4.095 5.557 4.126 1.00 0.00 O ATOM 0 H ASP A 60 -1.093 3.487 2.829 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.210 3.239 5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.549 2.956 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.730 3.259 5.258 1.00 0.00 H new ATOM 840 N CYS A 61 -2.133 0.421 4.050 1.00 0.00 N ATOM 841 CA CYS A 61 -2.415 -0.986 4.277 1.00 0.00 C ATOM 842 C CYS A 61 -1.131 -1.780 4.030 1.00 0.00 C ATOM 843 O CYS A 61 -0.788 -2.671 4.805 1.00 0.00 O ATOM 844 CB CYS A 61 -3.569 -1.480 3.402 1.00 0.00 C ATOM 845 SG CYS A 61 -5.014 -1.894 4.446 1.00 0.00 S ATOM 0 H CYS A 61 -2.016 0.680 3.070 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.739 -1.133 5.307 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.841 -0.712 2.678 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.257 -2.357 2.835 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.989 -2.310 3.693 1.00 0.00 H new ATOM 850 N HIS A 62 -0.455 -1.428 2.946 1.00 0.00 N ATOM 851 CA HIS A 62 0.784 -2.096 2.586 1.00 0.00 C ATOM 852 C HIS A 62 1.974 -1.275 3.087 1.00 0.00 C ATOM 853 O HIS A 62 2.882 -0.960 2.320 1.00 0.00 O ATOM 854 CB HIS A 62 0.840 -2.364 1.081 1.00 0.00 C ATOM 855 CG HIS A 62 -0.226 -3.311 0.585 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.371 -4.598 1.072 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.198 -3.144 -0.357 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.387 -5.171 0.443 1.00 0.00 C ATOM 859 NE2 HIS A 62 -1.897 -4.269 -0.443 1.00 0.00 N ATOM 0 H HIS A 62 -0.742 -0.688 2.305 1.00 0.00 H new ATOM 0 HA HIS A 62 0.830 -3.071 3.071 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.745 -1.417 0.550 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.819 -2.773 0.831 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.370 -2.248 -0.935 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.748 -6.176 0.604 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.686 -4.432 -1.069 1.00 0.00 H new ATOM 867 N ALA A 63 1.931 -0.953 4.372 1.00 0.00 N ATOM 868 CA ALA A 63 2.994 -0.175 4.984 1.00 0.00 C ATOM 869 C ALA A 63 4.343 -0.641 4.434 1.00 0.00 C ATOM 870 O ALA A 63 4.920 -1.633 4.875 1.00 0.00 O ATOM 871 CB ALA A 63 2.908 -0.303 6.507 1.00 0.00 C ATOM 0 H ALA A 63 1.177 -1.217 5.006 1.00 0.00 H new ATOM 0 HA ALA A 63 2.887 0.882 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.706 0.281 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.942 0.069 6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.015 -1.350 6.791 1.00 0.00 H new ATOM 877 N PRO A 64 4.839 0.108 3.447 1.00 0.00 N ATOM 878 CA PRO A 64 6.099 -0.149 2.783 1.00 0.00 C ATOM 879 C PRO A 64 7.238 -0.029 3.785 1.00 0.00 C ATOM 880 O PRO A 64 8.002 -0.982 3.933 1.00 0.00 O ATOM 881 CB PRO A 64 6.201 0.930 1.707 1.00 0.00 C ATOM 882 CG PRO A 64 4.739 1.417 1.487 1.00 0.00 C ATOM 883 CD PRO A 64 4.188 1.280 2.904 1.00 0.00 C ATOM 0 HA PRO A 64 6.157 -1.149 2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.846 1.748 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.627 0.531 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.694 2.443 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.199 0.799 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.408 2.166 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.104 1.162 2.896 1.00 0.00 H new ATOM 891 N HIS A 65 7.333 1.117 4.443 1.00 0.00 N ATOM 892 CA HIS A 65 8.385 1.334 5.421 1.00 0.00 C ATOM 893 C HIS A 65 8.006 0.660 6.741 1.00 0.00 C ATOM 894 O HIS A 65 7.866 1.327 7.765 1.00 0.00 O ATOM 895 CB HIS A 65 8.679 2.827 5.581 1.00 0.00 C ATOM 896 CG HIS A 65 9.351 3.452 4.381 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.537 2.973 3.852 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.991 4.521 3.615 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.867 3.727 2.814 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.908 4.687 2.669 1.00 0.00 N ATOM 0 H HIS A 65 6.698 1.905 4.318 1.00 0.00 H new ATOM 0 HA HIS A 65 9.310 0.876 5.072 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.744 3.352 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.313 2.970 6.456 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.110 5.129 3.754 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.741 3.604 2.192 1.00 0.00 H new ATOM 0 HE2 HIS A 65 9.897 5.413 1.952 1.00 0.00 H new ATOM 908 N GLU A 66 7.850 -0.654 6.675 1.00 0.00 N ATOM 909 CA GLU A 66 7.489 -1.426 7.852 1.00 0.00 C ATOM 910 C GLU A 66 7.153 -2.866 7.460 1.00 0.00 C ATOM 911 O GLU A 66 7.721 -3.810 8.007 1.00 0.00 O ATOM 912 CB GLU A 66 6.324 -0.774 8.599 1.00 0.00 C ATOM 913 CG GLU A 66 6.702 -0.473 10.050 1.00 0.00 C ATOM 914 CD GLU A 66 5.505 0.082 10.825 1.00 0.00 C ATOM 915 OE1 GLU A 66 4.868 -0.654 11.592 1.00 0.00 O ATOM 916 OE2 GLU A 66 5.245 1.327 10.608 1.00 0.00 O ATOM 0 H GLU A 66 7.967 -1.204 5.824 1.00 0.00 H new ATOM 0 HA GLU A 66 8.345 -1.445 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.036 0.149 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.457 -1.434 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.062 -1.382 10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.521 0.246 10.075 1.00 0.00 H new ATOM 924 N ALA A 67 6.232 -2.989 6.517 1.00 0.00 N ATOM 925 CA ALA A 67 5.813 -4.298 6.045 1.00 0.00 C ATOM 926 C ALA A 67 6.945 -4.929 5.232 1.00 0.00 C ATOM 927 O ALA A 67 7.919 -4.258 4.893 1.00 0.00 O ATOM 928 CB ALA A 67 4.521 -4.161 5.238 1.00 0.00 C ATOM 0 H ALA A 67 5.763 -2.203 6.066 1.00 0.00 H new ATOM 0 HA ALA A 67 5.603 -4.959 6.885 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.207 -5.143 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.741 -3.736 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.693 -3.506 4.384 1.00 0.00 H new ATOM 934 N LYS A 68 6.780 -6.211 4.943 1.00 0.00 N ATOM 935 CA LYS A 68 7.776 -6.939 4.175 1.00 0.00 C ATOM 936 C LYS A 68 7.083 -7.714 3.053 1.00 0.00 C ATOM 937 O LYS A 68 6.031 -8.316 3.267 1.00 0.00 O ATOM 938 CB LYS A 68 8.624 -7.819 5.097 1.00 0.00 C ATOM 939 CG LYS A 68 7.862 -8.167 6.377 1.00 0.00 C ATOM 940 CD LYS A 68 8.705 -9.057 7.292 1.00 0.00 C ATOM 941 CE LYS A 68 8.218 -8.973 8.740 1.00 0.00 C ATOM 942 NZ LYS A 68 9.170 -8.195 9.563 1.00 0.00 N ATOM 0 H LYS A 68 5.972 -6.765 5.227 1.00 0.00 H new ATOM 0 HA LYS A 68 8.473 -6.247 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.903 -8.735 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.549 -7.301 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.591 -7.252 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.932 -8.677 6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.655 -10.090 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.750 -8.753 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.234 -8.505 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.108 -9.976 9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.824 -8.148 10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.101 -8.657 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.255 -7.232 9.179 1.00 0.00 H new ATOM 955 N VAL A 69 7.700 -7.674 1.881 1.00 0.00 N ATOM 956 CA VAL A 69 7.155 -8.365 0.725 1.00 0.00 C ATOM 957 C VAL A 69 6.506 -9.675 1.177 1.00 0.00 C ATOM 958 O VAL A 69 7.122 -10.460 1.896 1.00 0.00 O ATOM 959 CB VAL A 69 8.248 -8.571 -0.325 1.00 0.00 C ATOM 960 CG1 VAL A 69 7.974 -9.819 -1.166 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.396 -7.333 -1.213 1.00 0.00 C ATOM 0 H VAL A 69 8.572 -7.174 1.707 1.00 0.00 H new ATOM 0 HA VAL A 69 6.378 -7.764 0.253 1.00 0.00 H new ATOM 0 HB VAL A 69 9.191 -8.722 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.766 -9.941 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.943 -10.695 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.017 -9.711 -1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.180 -7.506 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.453 -7.137 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.661 -6.473 -0.597 1.00 0.00 H new ATOM 971 N GLY A 70 5.272 -9.869 0.738 1.00 0.00 N ATOM 972 CA GLY A 70 4.533 -11.070 1.089 1.00 0.00 C ATOM 973 C GLY A 70 3.869 -10.925 2.460 1.00 0.00 C ATOM 974 O GLY A 70 3.802 -11.884 3.226 1.00 0.00 O ATOM 0 H GLY A 70 4.765 -9.215 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.774 -11.268 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.207 -11.927 1.096 1.00 0.00 H new ATOM 978 N GLU A 71 3.394 -9.717 2.726 1.00 0.00 N ATOM 979 CA GLU A 71 2.738 -9.433 3.991 1.00 0.00 C ATOM 980 C GLU A 71 1.222 -9.363 3.798 1.00 0.00 C ATOM 981 O GLU A 71 0.743 -8.804 2.813 1.00 0.00 O ATOM 982 CB GLU A 71 3.272 -8.139 4.608 1.00 0.00 C ATOM 983 CG GLU A 71 3.851 -8.394 6.001 1.00 0.00 C ATOM 984 CD GLU A 71 3.258 -7.426 7.027 1.00 0.00 C ATOM 985 OE1 GLU A 71 3.076 -6.237 6.725 1.00 0.00 O ATOM 986 OE2 GLU A 71 2.982 -7.948 8.174 1.00 0.00 O ATOM 0 H GLU A 71 3.450 -8.924 2.087 1.00 0.00 H new ATOM 0 HA GLU A 71 2.960 -10.245 4.683 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.041 -7.715 3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.469 -7.404 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.644 -9.421 6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.935 -8.282 5.974 1.00 0.00 H new ATOM 994 N LYS A 72 0.508 -9.940 4.754 1.00 0.00 N ATOM 995 CA LYS A 72 -0.944 -9.950 4.702 1.00 0.00 C ATOM 996 C LYS A 72 -1.498 -9.138 5.874 1.00 0.00 C ATOM 997 O LYS A 72 -1.635 -9.622 6.996 1.00 0.00 O ATOM 998 CB LYS A 72 -1.468 -11.386 4.646 1.00 0.00 C ATOM 999 CG LYS A 72 -1.328 -11.967 3.237 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.671 -12.493 2.725 1.00 0.00 C ATOM 1001 CE LYS A 72 -3.073 -13.773 3.459 1.00 0.00 C ATOM 1002 NZ LYS A 72 -4.381 -14.263 2.968 1.00 0.00 N ATOM 0 H LYS A 72 0.909 -10.404 5.569 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.296 -9.471 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.918 -12.005 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.515 -11.407 4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.951 -11.201 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.596 -12.774 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.440 -11.733 2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.605 -12.688 1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.312 -14.539 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.128 -13.583 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.639 -15.133 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.108 -13.537 3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.316 -14.464 1.950 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.818 -7.875 5.585 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.360 -6.931 6.539 1.00 0.00 C ATOM 1017 C PRO A 73 -3.572 -7.541 7.228 1.00 0.00 C ATOM 1018 O PRO A 73 -4.371 -8.192 6.558 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.758 -5.716 5.705 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.754 -5.769 4.523 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.671 -7.274 4.277 1.00 0.00 C ATOM 0 HA PRO A 73 -1.650 -6.664 7.322 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.791 -5.781 5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.668 -4.789 6.271 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.117 -5.228 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.787 -5.340 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.457 -7.607 3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.719 -7.548 3.821 1.00 0.00 H new ATOM 1029 N THR A 74 -3.685 -7.326 8.531 1.00 0.00 N ATOM 1030 CA THR A 74 -4.804 -7.865 9.284 1.00 0.00 C ATOM 1031 C THR A 74 -5.937 -6.839 9.364 1.00 0.00 C ATOM 1032 O THR A 74 -5.694 -5.659 9.610 1.00 0.00 O ATOM 1033 CB THR A 74 -4.284 -8.304 10.654 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.710 -7.122 11.203 1.00 0.00 O ATOM 1035 CG2 THR A 74 -3.107 -9.276 10.550 1.00 0.00 C ATOM 0 H THR A 74 -3.020 -6.786 9.084 1.00 0.00 H new ATOM 0 HA THR A 74 -5.231 -8.736 8.788 1.00 0.00 H new ATOM 0 HB THR A 74 -5.093 -8.772 11.216 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.422 -6.539 11.540 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.777 -9.556 11.550 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.419 -10.169 10.008 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.285 -8.797 10.017 1.00 0.00 H new ATOM 1043 N CYS A 75 -7.150 -7.327 9.152 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.321 -6.468 9.198 1.00 0.00 C ATOM 1045 C CYS A 75 -8.493 -5.965 10.632 1.00 0.00 C ATOM 1046 O CYS A 75 -8.808 -4.797 10.851 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.572 -7.189 8.691 1.00 0.00 C ATOM 1048 SG CYS A 75 -9.326 -8.175 7.170 1.00 0.00 S ATOM 0 H CYS A 75 -7.347 -8.307 8.948 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.177 -5.618 8.532 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.939 -7.847 9.478 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.351 -6.449 8.505 1.00 0.00 H new ATOM 0 HG CYS A 75 -10.447 -8.742 6.834 1.00 0.00 H new ATOM 1053 N ASP A 76 -8.279 -6.874 11.573 1.00 0.00 N ATOM 1054 CA ASP A 76 -8.406 -6.538 12.981 1.00 0.00 C ATOM 1055 C ASP A 76 -7.784 -5.163 13.231 1.00 0.00 C ATOM 1056 O ASP A 76 -8.194 -4.449 14.145 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.674 -7.555 13.858 1.00 0.00 C ATOM 1058 CG ASP A 76 -8.482 -8.086 15.044 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -8.948 -7.315 15.896 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -8.627 -9.368 15.074 1.00 0.00 O ATOM 0 H ASP A 76 -8.019 -7.843 11.387 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.466 -6.541 13.234 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.373 -8.398 13.236 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.761 -7.095 14.236 1.00 0.00 H new ATOM 1066 N THR A 77 -6.804 -4.832 12.402 1.00 0.00 N ATOM 1067 CA THR A 77 -6.121 -3.556 12.522 1.00 0.00 C ATOM 1068 C THR A 77 -7.129 -2.405 12.475 1.00 0.00 C ATOM 1069 O THR A 77 -7.023 -1.451 13.243 1.00 0.00 O ATOM 1070 CB THR A 77 -5.062 -3.481 11.421 1.00 0.00 C ATOM 1071 OG1 THR A 77 -4.444 -4.764 11.445 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.927 -2.514 11.764 1.00 0.00 C ATOM 0 H THR A 77 -6.467 -5.426 11.644 1.00 0.00 H new ATOM 0 HA THR A 77 -5.617 -3.466 13.484 1.00 0.00 H new ATOM 0 HB THR A 77 -5.532 -3.172 10.487 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.318 -5.084 10.527 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.203 -2.499 10.949 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.333 -1.513 11.907 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.435 -2.841 12.680 1.00 0.00 H new ATOM 1080 N CYS A 78 -8.084 -2.534 11.566 1.00 0.00 N ATOM 1081 CA CYS A 78 -9.110 -1.518 11.409 1.00 0.00 C ATOM 1082 C CYS A 78 -10.462 -2.139 11.767 1.00 0.00 C ATOM 1083 O CYS A 78 -11.215 -1.580 12.562 1.00 0.00 O ATOM 1084 CB CYS A 78 -9.110 -0.927 9.998 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.779 0.319 9.840 1.00 0.00 S ATOM 0 H CYS A 78 -8.169 -3.327 10.930 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.905 -0.685 12.081 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.967 -1.719 9.263 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.076 -0.468 9.787 1.00 0.00 H new ATOM 0 HG CYS A 78 -7.787 0.812 8.637 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.727 -3.289 11.163 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.974 -3.992 11.409 1.00 0.00 C ATOM 1092 C HIS A 79 -11.768 -5.034 12.511 1.00 0.00 C ATOM 1093 O HIS A 79 -11.396 -6.173 12.232 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.519 -4.599 10.115 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.550 -3.637 8.951 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -13.176 -2.404 9.014 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -12.026 -3.740 7.696 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -13.029 -1.801 7.843 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.317 -2.630 7.028 1.00 0.00 N ATOM 0 H HIS A 79 -10.099 -3.751 10.504 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.729 -3.288 11.759 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.909 -5.461 9.845 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.529 -4.967 10.296 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.469 -4.581 7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.407 -0.824 7.580 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.051 -2.430 6.064 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.600 -9.305 11.088 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.323 -9.224 9.664 1.00 0.00 C ATOM 1142 C ARG A 83 -12.010 -9.939 9.337 1.00 0.00 C ATOM 1143 O ARG A 83 -10.994 -9.709 9.991 1.00 0.00 O ATOM 1144 CB ARG A 83 -13.231 -7.768 9.202 1.00 0.00 C ATOM 1145 CG ARG A 83 -14.278 -7.467 8.127 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.660 -7.968 8.553 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.632 -6.852 8.528 1.00 0.00 N ATOM 1148 CZ ARG A 83 -17.318 -6.469 7.430 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -17.143 -7.111 6.255 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -18.161 -5.458 7.522 1.00 0.00 N ATOM 0 HA ARG A 83 -14.146 -9.709 9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.377 -7.103 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.234 -7.570 8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.317 -6.393 7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.988 -7.941 7.189 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.990 -8.763 7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.609 -8.394 9.555 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.794 -6.340 9.395 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.489 -7.891 6.193 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.665 -6.816 5.430 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -18.287 -4.978 8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.687 -5.156 6.702 1.00 0.00 H new ATOM 1160 N THR A 84 -12.074 -10.792 8.325 1.00 0.00 N ATOM 1161 CA THR A 84 -10.903 -11.542 7.904 1.00 0.00 C ATOM 1162 C THR A 84 -10.684 -11.386 6.398 1.00 0.00 C ATOM 1163 O THR A 84 -11.620 -11.086 5.658 1.00 0.00 O ATOM 1164 CB THR A 84 -11.089 -12.995 8.343 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.429 -13.303 7.968 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.083 -13.152 9.865 1.00 0.00 C ATOM 0 H THR A 84 -12.918 -10.980 7.785 1.00 0.00 H new ATOM 0 HA THR A 84 -9.998 -11.159 8.374 1.00 0.00 H new ATOM 0 HB THR A 84 -10.298 -13.608 7.911 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.633 -14.229 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.219 -14.202 10.123 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.131 -12.800 10.263 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.895 -12.565 10.295 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.441 -11.596 5.988 1.00 0.00 N ATOM 1175 CA ALA A 85 -9.087 -11.483 4.583 1.00 0.00 C ATOM 1176 C ALA A 85 -9.923 -12.472 3.769 1.00 0.00 C ATOM 1177 O ALA A 85 -10.507 -13.401 4.325 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.584 -11.714 4.415 1.00 0.00 C ATOM 0 H ALA A 85 -8.667 -11.844 6.604 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.307 -10.482 4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.318 -11.629 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.035 -10.968 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.326 -12.710 4.775 1.00 0.00 H new ATOM 1184 N LYS A 86 -9.954 -12.240 2.465 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.709 -13.099 1.569 1.00 0.00 C ATOM 1186 C LYS A 86 -9.791 -13.593 0.450 1.00 0.00 C ATOM 1187 O LYS A 86 -9.498 -14.785 0.363 1.00 0.00 O ATOM 1188 CB LYS A 86 -11.962 -12.379 1.065 1.00 0.00 C ATOM 1189 CG LYS A 86 -13.141 -12.602 2.014 1.00 0.00 C ATOM 1190 CD LYS A 86 -13.944 -11.313 2.203 1.00 0.00 C ATOM 1191 CE LYS A 86 -15.416 -11.620 2.481 1.00 0.00 C ATOM 1192 NZ LYS A 86 -16.188 -10.365 2.630 1.00 0.00 N ATOM 0 H LYS A 86 -9.468 -11.469 2.007 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.069 -13.981 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.761 -11.312 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.218 -12.741 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -13.789 -13.384 1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.775 -12.951 2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.526 -10.738 3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.860 -10.694 1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.830 -12.214 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.504 -12.218 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.185 -10.591 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.803 -9.812 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.119 -9.809 1.754 1.00 0.00 H new