USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 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 83 SER OG : rot -45:sc= 0.859 USER MOD Set 1.2: A 85 THR OG1 : rot -28:sc= 0.534 USER MOD Set 1.3: A 86 THR OG1 : rot -178:sc= 1.26 USER MOD Set 2.1: A 63 ASN : amide:sc= -0.622 K(o=-0.62,f=-3.6!) USER MOD Set 2.2: A 65 ASN : amide:sc= 0 X(o=-0.62,f=-0.74) USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.0521 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 19 THR OG1 : rot -82:sc= 1.13 USER MOD Single : A 25 SER OG : rot 177:sc= 0.074 USER MOD Single : A 27 GLN : amide:sc=-0.00867 X(o=-0.0087,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.439 X(o=-0.44,f=-0.86) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00392 K(o=-0.0039,f=-1) USER MOD Single : A 50 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0249) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -73:sc= 0.946 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 87 ASN : amide:sc= -0.0193 K(o=-0.019,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.091 -0.004 -0.204 1.00 0.00 N ATOM 2 CA ALA A 1 2.392 -0.215 -0.824 1.00 0.00 C ATOM 3 C ALA A 1 3.116 1.109 -1.047 1.00 0.00 C ATOM 4 O ALA A 1 2.486 2.163 -1.138 1.00 0.00 O ATOM 5 CB ALA A 1 2.234 -0.960 -2.141 1.00 0.00 C ATOM 0 H1 ALA A 1 1.122 -0.324 0.785 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.852 1.008 -0.233 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.368 -0.545 -0.720 1.00 0.00 H new ATOM 0 HA ALA A 1 2.996 -0.819 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.214 -1.111 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.766 -1.927 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.609 -0.376 -2.816 1.00 0.00 H new ATOM 11 N ILE A 2 4.440 1.047 -1.133 1.00 0.00 N ATOM 12 CA ILE A 2 5.248 2.241 -1.345 1.00 0.00 C ATOM 13 C ILE A 2 5.186 2.696 -2.799 1.00 0.00 C ATOM 14 O ILE A 2 5.583 1.965 -3.706 1.00 0.00 O ATOM 15 CB ILE A 2 6.719 2.002 -0.956 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.825 1.637 0.526 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.556 3.235 -1.264 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.624 0.163 0.801 1.00 0.00 C ATOM 0 H ILE A 2 4.976 0.182 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 2 4.833 3.020 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 2 7.104 1.169 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.805 1.937 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.084 2.207 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.593 3.050 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.502 3.454 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.173 4.085 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.713 -0.023 1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.633 -0.139 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.381 -0.413 0.269 1.00 0.00 H new ATOM 30 N SER A 3 4.686 3.909 -3.013 1.00 0.00 N ATOM 31 CA SER A 3 4.570 4.461 -4.358 1.00 0.00 C ATOM 32 C SER A 3 5.777 5.332 -4.694 1.00 0.00 C ATOM 33 O SER A 3 6.656 4.928 -5.456 1.00 0.00 O ATOM 34 CB SER A 3 3.285 5.281 -4.486 1.00 0.00 C ATOM 35 OG SER A 3 3.261 6.006 -5.703 1.00 0.00 O ATOM 0 H SER A 3 4.355 4.528 -2.273 1.00 0.00 H new ATOM 0 HA SER A 3 4.535 3.630 -5.063 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.421 4.618 -4.437 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.205 5.971 -3.646 1.00 0.00 H new ATOM 0 HG SER A 3 2.429 6.520 -5.761 1.00 0.00 H new ATOM 41 N CYS A 4 5.814 6.529 -4.119 1.00 0.00 N ATOM 42 CA CYS A 4 6.911 7.459 -4.356 1.00 0.00 C ATOM 43 C CYS A 4 6.760 8.710 -3.495 1.00 0.00 C ATOM 44 O CYS A 4 7.736 9.218 -2.944 1.00 0.00 O ATOM 45 CB CYS A 4 6.967 7.848 -5.835 1.00 0.00 C ATOM 46 SG CYS A 4 8.652 7.909 -6.524 1.00 0.00 S ATOM 0 H CYS A 4 5.096 6.878 -3.485 1.00 0.00 H new ATOM 0 HA CYS A 4 7.841 6.961 -4.082 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.376 7.135 -6.410 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.499 8.824 -5.961 1.00 0.00 H new ATOM 51 N GLY A 5 5.529 9.200 -3.384 1.00 0.00 N ATOM 52 CA GLY A 5 5.273 10.387 -2.589 1.00 0.00 C ATOM 53 C GLY A 5 5.759 10.244 -1.160 1.00 0.00 C ATOM 54 O GLY A 5 6.255 11.202 -0.568 1.00 0.00 O ATOM 0 H GLY A 5 4.705 8.797 -3.830 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.763 11.243 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.203 10.595 -2.586 1.00 0.00 H new ATOM 58 N ALA A 6 5.615 9.045 -0.605 1.00 0.00 N ATOM 59 CA ALA A 6 6.043 8.780 0.763 1.00 0.00 C ATOM 60 C ALA A 6 7.564 8.771 0.870 1.00 0.00 C ATOM 61 O ALA A 6 8.126 9.131 1.904 1.00 0.00 O ATOM 62 CB ALA A 6 5.470 7.457 1.249 1.00 0.00 C ATOM 0 H ALA A 6 5.205 8.242 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 6 5.665 9.582 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.798 7.272 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.381 7.499 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.820 6.650 0.605 1.00 0.00 H new ATOM 68 N VAL A 7 8.226 8.358 -0.206 1.00 0.00 N ATOM 69 CA VAL A 7 9.683 8.302 -0.234 1.00 0.00 C ATOM 70 C VAL A 7 10.283 9.697 -0.365 1.00 0.00 C ATOM 71 O VAL A 7 11.205 10.061 0.366 1.00 0.00 O ATOM 72 CB VAL A 7 10.189 7.425 -1.394 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.702 7.280 -1.333 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.513 6.063 -1.367 1.00 0.00 C ATOM 0 H VAL A 7 7.776 8.057 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 7 10.002 7.860 0.710 1.00 0.00 H new ATOM 0 HB VAL A 7 9.932 7.913 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.041 6.657 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.165 8.264 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.985 6.815 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.883 5.457 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.736 5.565 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.435 6.190 -1.464 1.00 0.00 H new ATOM 84 N THR A 8 9.755 10.477 -1.304 1.00 0.00 N ATOM 85 CA THR A 8 10.239 11.833 -1.532 1.00 0.00 C ATOM 86 C THR A 8 9.978 12.721 -0.322 1.00 0.00 C ATOM 87 O THR A 8 10.646 13.737 -0.130 1.00 0.00 O ATOM 88 CB THR A 8 9.576 12.464 -2.771 1.00 0.00 C ATOM 89 OG1 THR A 8 9.500 11.503 -3.830 1.00 0.00 O ATOM 90 CG2 THR A 8 10.357 13.682 -3.241 1.00 0.00 C ATOM 0 H THR A 8 8.992 10.193 -1.919 1.00 0.00 H new ATOM 0 HA THR A 8 11.314 11.761 -1.700 1.00 0.00 H new ATOM 0 HB THR A 8 8.570 12.780 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.076 11.912 -4.613 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.870 14.111 -4.117 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.388 14.424 -2.443 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.373 13.385 -3.500 1.00 0.00 H new ATOM 98 N SER A 9 9.001 12.333 0.492 1.00 0.00 N ATOM 99 CA SER A 9 8.650 13.097 1.683 1.00 0.00 C ATOM 100 C SER A 9 9.809 13.121 2.675 1.00 0.00 C ATOM 101 O SER A 9 10.186 14.178 3.180 1.00 0.00 O ATOM 102 CB SER A 9 7.407 12.502 2.348 1.00 0.00 C ATOM 103 OG SER A 9 6.656 13.502 3.013 1.00 0.00 O ATOM 0 H SER A 9 8.439 11.494 0.348 1.00 0.00 H new ATOM 0 HA SER A 9 8.435 14.121 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.786 12.016 1.596 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.705 11.733 3.060 1.00 0.00 H new ATOM 0 HG SER A 9 5.866 13.096 3.428 1.00 0.00 H new ATOM 109 N ASP A 10 10.369 11.948 2.949 1.00 0.00 N ATOM 110 CA ASP A 10 11.486 11.832 3.880 1.00 0.00 C ATOM 111 C ASP A 10 12.783 12.309 3.233 1.00 0.00 C ATOM 112 O ASP A 10 13.734 12.677 3.924 1.00 0.00 O ATOM 113 CB ASP A 10 11.638 10.385 4.350 1.00 0.00 C ATOM 114 CG ASP A 10 10.309 9.660 4.430 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.332 10.263 4.922 1.00 0.00 O ATOM 116 OD2 ASP A 10 10.246 8.489 4.001 1.00 0.00 O ATOM 0 H ASP A 10 10.068 11.064 2.540 1.00 0.00 H new ATOM 0 HA ASP A 10 11.276 12.465 4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 10 12.299 9.852 3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.115 10.372 5.330 1.00 0.00 H new ATOM 121 N LEU A 11 12.814 12.299 1.905 1.00 0.00 N ATOM 122 CA LEU A 11 13.995 12.730 1.165 1.00 0.00 C ATOM 123 C LEU A 11 14.195 14.237 1.288 1.00 0.00 C ATOM 124 O LEU A 11 15.326 14.723 1.313 1.00 0.00 O ATOM 125 CB LEU A 11 13.868 12.340 -0.309 1.00 0.00 C ATOM 126 CG LEU A 11 14.297 10.916 -0.665 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.499 10.399 -1.852 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.789 10.867 -0.961 1.00 0.00 C ATOM 0 H LEU A 11 12.036 11.997 1.319 1.00 0.00 H new ATOM 0 HA LEU A 11 14.864 12.230 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.829 12.471 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.462 13.036 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 11 14.095 10.272 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.818 9.384 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.438 10.397 -1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.669 11.045 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.077 9.846 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.015 11.525 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.345 11.195 -0.083 1.00 0.00 H new ATOM 140 N SER A 12 13.090 14.971 1.366 1.00 0.00 N ATOM 141 CA SER A 12 13.144 16.424 1.486 1.00 0.00 C ATOM 142 C SER A 12 14.001 16.840 2.677 1.00 0.00 C ATOM 143 O SER A 12 14.988 17.563 2.541 1.00 0.00 O ATOM 144 CB SER A 12 11.733 16.997 1.633 1.00 0.00 C ATOM 145 OG SER A 12 11.744 18.185 2.406 1.00 0.00 O ATOM 0 H SER A 12 12.146 14.584 1.348 1.00 0.00 H new ATOM 0 HA SER A 12 13.598 16.822 0.578 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.317 17.204 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.084 16.259 2.104 1.00 0.00 H new ATOM 0 HG SER A 12 10.831 18.533 2.484 1.00 0.00 H new ATOM 151 N PRO A 13 13.617 16.372 3.874 1.00 0.00 N ATOM 152 CA PRO A 13 14.336 16.681 5.113 1.00 0.00 C ATOM 153 C PRO A 13 15.700 16.002 5.176 1.00 0.00 C ATOM 154 O PRO A 13 16.598 16.456 5.887 1.00 0.00 O ATOM 155 CB PRO A 13 13.414 16.132 6.205 1.00 0.00 C ATOM 156 CG PRO A 13 12.630 15.058 5.534 1.00 0.00 C ATOM 157 CD PRO A 13 12.450 15.504 4.109 1.00 0.00 C ATOM 0 HA PRO A 13 14.544 17.747 5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.986 15.738 7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.761 16.910 6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.156 14.104 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.666 14.915 6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.433 14.658 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.513 16.044 3.972 1.00 0.00 H new ATOM 165 N CYS A 14 15.849 14.913 4.430 1.00 0.00 N ATOM 166 CA CYS A 14 17.103 14.171 4.401 1.00 0.00 C ATOM 167 C CYS A 14 18.089 14.807 3.425 1.00 0.00 C ATOM 168 O CYS A 14 19.294 14.560 3.493 1.00 0.00 O ATOM 169 CB CYS A 14 16.849 12.714 4.009 1.00 0.00 C ATOM 170 SG CYS A 14 16.216 11.679 5.367 1.00 0.00 S ATOM 0 H CYS A 14 15.116 14.524 3.837 1.00 0.00 H new ATOM 0 HA CYS A 14 17.537 14.201 5.400 1.00 0.00 H new ATOM 0 HB2 CYS A 14 16.136 12.690 3.185 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.778 12.281 3.639 1.00 0.00 H new ATOM 175 N LEU A 15 17.570 15.628 2.519 1.00 0.00 N ATOM 176 CA LEU A 15 18.404 16.301 1.529 1.00 0.00 C ATOM 177 C LEU A 15 19.440 17.193 2.205 1.00 0.00 C ATOM 178 O LEU A 15 20.635 17.098 1.925 1.00 0.00 O ATOM 179 CB LEU A 15 17.536 17.134 0.584 1.00 0.00 C ATOM 180 CG LEU A 15 17.059 16.428 -0.686 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.213 17.367 -1.533 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.245 15.909 -1.486 1.00 0.00 C ATOM 0 H LEU A 15 16.576 15.844 2.449 1.00 0.00 H new ATOM 0 HA LEU A 15 18.929 15.538 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.661 17.478 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.099 18.021 0.293 1.00 0.00 H new ATOM 0 HG LEU A 15 16.442 15.578 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.883 16.847 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.344 17.690 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.806 18.237 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.886 15.410 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.888 16.743 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.811 15.202 -0.880 1.00 0.00 H new ATOM 194 N THR A 16 18.973 18.060 3.099 1.00 0.00 N ATOM 195 CA THR A 16 19.859 18.969 3.816 1.00 0.00 C ATOM 196 C THR A 16 21.022 18.215 4.451 1.00 0.00 C ATOM 197 O THR A 16 22.126 18.747 4.574 1.00 0.00 O ATOM 198 CB THR A 16 19.102 19.741 4.913 1.00 0.00 C ATOM 199 OG1 THR A 16 17.849 20.211 4.405 1.00 0.00 O ATOM 200 CG2 THR A 16 19.926 20.918 5.413 1.00 0.00 C ATOM 0 H THR A 16 17.987 18.151 3.343 1.00 0.00 H new ATOM 0 HA THR A 16 20.246 19.678 3.084 1.00 0.00 H new ATOM 0 HB THR A 16 18.924 19.062 5.747 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.373 20.699 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.371 21.448 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.867 20.554 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.131 21.596 4.585 1.00 0.00 H new ATOM 208 N TYR A 17 20.769 16.975 4.852 1.00 0.00 N ATOM 209 CA TYR A 17 21.795 16.149 5.476 1.00 0.00 C ATOM 210 C TYR A 17 22.639 15.439 4.422 1.00 0.00 C ATOM 211 O TYR A 17 23.856 15.314 4.565 1.00 0.00 O ATOM 212 CB TYR A 17 21.154 15.120 6.409 1.00 0.00 C ATOM 213 CG TYR A 17 22.148 14.407 7.299 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.182 15.102 7.914 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.053 13.040 7.524 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.093 14.455 8.727 1.00 0.00 C ATOM 217 CE2 TYR A 17 22.958 12.385 8.337 1.00 0.00 C ATOM 218 CZ TYR A 17 23.976 13.097 8.936 1.00 0.00 C ATOM 219 OH TYR A 17 24.880 12.448 9.745 1.00 0.00 O ATOM 0 H TYR A 17 19.862 16.519 4.756 1.00 0.00 H new ATOM 0 HA TYR A 17 22.446 16.802 6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.413 15.620 7.033 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.620 14.382 5.810 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.275 16.166 7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.258 12.479 7.055 1.00 0.00 H new ATOM 0 HE1 TYR A 17 24.892 15.010 9.196 1.00 0.00 H new ATOM 0 HE2 TYR A 17 22.869 11.321 8.502 1.00 0.00 H new ATOM 0 HH TYR A 17 24.655 11.495 9.788 1.00 0.00 H new ATOM 229 N LEU A 18 21.985 14.976 3.363 1.00 0.00 N ATOM 230 CA LEU A 18 22.673 14.279 2.282 1.00 0.00 C ATOM 231 C LEU A 18 23.493 15.253 1.442 1.00 0.00 C ATOM 232 O LEU A 18 24.274 14.844 0.582 1.00 0.00 O ATOM 233 CB LEU A 18 21.663 13.548 1.396 1.00 0.00 C ATOM 234 CG LEU A 18 20.967 12.342 2.026 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.939 11.759 1.069 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.987 11.285 2.424 1.00 0.00 C ATOM 0 H LEU A 18 20.978 15.071 3.230 1.00 0.00 H new ATOM 0 HA LEU A 18 23.351 13.550 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.900 14.261 1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.175 13.216 0.493 1.00 0.00 H new ATOM 0 HG LEU A 18 20.449 12.675 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.454 10.901 1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 18 19.191 12.516 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.435 11.441 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.473 10.434 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.534 10.956 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.686 11.707 3.146 1.00 0.00 H new ATOM 248 N THR A 19 23.313 16.545 1.697 1.00 0.00 N ATOM 249 CA THR A 19 24.036 17.577 0.966 1.00 0.00 C ATOM 250 C THR A 19 25.293 18.005 1.716 1.00 0.00 C ATOM 251 O THR A 19 26.165 18.670 1.159 1.00 0.00 O ATOM 252 CB THR A 19 23.153 18.815 0.720 1.00 0.00 C ATOM 253 OG1 THR A 19 22.331 19.066 1.865 1.00 0.00 O ATOM 254 CG2 THR A 19 22.276 18.618 -0.507 1.00 0.00 C ATOM 0 H THR A 19 22.672 16.902 2.405 1.00 0.00 H new ATOM 0 HA THR A 19 24.318 17.144 0.006 1.00 0.00 H new ATOM 0 HB THR A 19 23.805 19.671 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.542 18.485 1.835 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.661 19.505 -0.661 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.906 18.456 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.632 17.751 -0.358 1.00 0.00 H new ATOM 262 N GLY A 20 25.379 17.617 2.985 1.00 0.00 N ATOM 263 CA GLY A 20 26.534 17.969 3.791 1.00 0.00 C ATOM 264 C GLY A 20 26.193 18.953 4.893 1.00 0.00 C ATOM 265 O GLY A 20 27.075 19.617 5.437 1.00 0.00 O ATOM 0 H GLY A 20 24.670 17.066 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.955 17.065 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.304 18.399 3.150 1.00 0.00 H new ATOM 269 N GLY A 21 24.909 19.048 5.224 1.00 0.00 N ATOM 270 CA GLY A 21 24.476 19.961 6.266 1.00 0.00 C ATOM 271 C GLY A 21 24.358 19.285 7.617 1.00 0.00 C ATOM 272 O GLY A 21 24.831 18.166 7.819 1.00 0.00 O ATOM 0 H GLY A 21 24.160 18.509 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.183 20.788 6.337 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.512 20.389 5.992 1.00 0.00 H new ATOM 276 N PRO A 22 23.715 19.972 8.573 1.00 0.00 N ATOM 277 CA PRO A 22 23.522 19.450 9.929 1.00 0.00 C ATOM 278 C PRO A 22 22.539 18.285 9.968 1.00 0.00 C ATOM 279 O PRO A 22 21.518 18.298 9.280 1.00 0.00 O ATOM 280 CB PRO A 22 22.959 20.651 10.694 1.00 0.00 C ATOM 281 CG PRO A 22 22.308 21.493 9.651 1.00 0.00 C ATOM 282 CD PRO A 22 23.125 21.310 8.402 1.00 0.00 C ATOM 0 HA PRO A 22 24.447 19.055 10.349 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.243 20.337 11.453 1.00 0.00 H new ATOM 0 HB3 PRO A 22 23.749 21.198 11.209 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.275 21.185 9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.286 22.540 9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.507 21.365 7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 22 23.892 22.078 8.308 1.00 0.00 H new ATOM 290 N GLY A 23 22.853 17.278 10.777 1.00 0.00 N ATOM 291 CA GLY A 23 21.986 16.119 10.890 1.00 0.00 C ATOM 292 C GLY A 23 22.673 14.945 11.560 1.00 0.00 C ATOM 293 O GLY A 23 23.763 15.072 12.118 1.00 0.00 O ATOM 0 H GLY A 23 23.692 17.244 11.356 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.096 16.389 11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.651 15.821 9.896 1.00 0.00 H new ATOM 297 N PRO A 24 22.027 13.771 11.512 1.00 0.00 N ATOM 298 CA PRO A 24 20.728 13.608 10.852 1.00 0.00 C ATOM 299 C PRO A 24 19.602 14.308 11.606 1.00 0.00 C ATOM 300 O PRO A 24 19.457 14.141 12.817 1.00 0.00 O ATOM 301 CB PRO A 24 20.514 12.093 10.857 1.00 0.00 C ATOM 302 CG PRO A 24 21.321 11.601 12.009 1.00 0.00 C ATOM 303 CD PRO A 24 22.514 12.511 12.098 1.00 0.00 C ATOM 0 HA PRO A 24 20.720 14.050 9.856 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.460 11.842 10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.845 11.643 9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.741 11.627 12.931 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.630 10.567 11.856 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.839 12.647 13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.365 12.113 11.545 1.00 0.00 H new ATOM 311 N SER A 25 18.808 15.091 10.883 1.00 0.00 N ATOM 312 CA SER A 25 17.697 15.818 11.485 1.00 0.00 C ATOM 313 C SER A 25 16.649 14.854 12.032 1.00 0.00 C ATOM 314 O SER A 25 16.617 13.672 11.689 1.00 0.00 O ATOM 315 CB SER A 25 17.058 16.756 10.459 1.00 0.00 C ATOM 316 OG SER A 25 17.190 16.241 9.146 1.00 0.00 O ATOM 0 H SER A 25 18.914 15.238 9.879 1.00 0.00 H new ATOM 0 HA SER A 25 18.088 16.409 12.313 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.003 16.893 10.695 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.528 17.738 10.517 1.00 0.00 H new ATOM 0 HG SER A 25 16.733 16.835 8.514 1.00 0.00 H new ATOM 322 N PRO A 26 15.770 15.369 12.904 1.00 0.00 N ATOM 323 CA PRO A 26 14.703 14.572 13.517 1.00 0.00 C ATOM 324 C PRO A 26 13.625 14.176 12.513 1.00 0.00 C ATOM 325 O PRO A 26 13.071 13.079 12.585 1.00 0.00 O ATOM 326 CB PRO A 26 14.125 15.510 14.579 1.00 0.00 C ATOM 327 CG PRO A 26 14.437 16.880 14.085 1.00 0.00 C ATOM 328 CD PRO A 26 15.748 16.770 13.357 1.00 0.00 C ATOM 0 HA PRO A 26 15.077 13.630 13.918 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.051 15.365 14.692 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.576 15.329 15.555 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.652 17.244 13.422 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.508 17.586 14.912 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.802 17.464 12.518 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.591 16.994 14.011 1.00 0.00 H new ATOM 336 N GLN A 27 13.334 15.075 11.579 1.00 0.00 N ATOM 337 CA GLN A 27 12.322 14.818 10.561 1.00 0.00 C ATOM 338 C GLN A 27 12.818 13.793 9.546 1.00 0.00 C ATOM 339 O GLN A 27 12.048 12.968 9.054 1.00 0.00 O ATOM 340 CB GLN A 27 11.945 16.118 9.848 1.00 0.00 C ATOM 341 CG GLN A 27 10.964 16.978 10.628 1.00 0.00 C ATOM 342 CD GLN A 27 10.991 18.431 10.199 1.00 0.00 C ATOM 343 OE1 GLN A 27 10.044 18.928 9.589 1.00 0.00 O ATOM 344 NE2 GLN A 27 12.080 19.122 10.515 1.00 0.00 N ATOM 0 H GLN A 27 13.784 15.987 11.506 1.00 0.00 H new ATOM 0 HA GLN A 27 11.439 14.414 11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.850 16.695 9.659 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.512 15.878 8.877 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.957 16.583 10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.196 16.913 11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.842 18.670 11.021 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.155 20.104 10.251 1.00 0.00 H new ATOM 353 N CYS A 28 14.109 13.851 9.237 1.00 0.00 N ATOM 354 CA CYS A 28 14.709 12.929 8.280 1.00 0.00 C ATOM 355 C CYS A 28 14.643 11.493 8.794 1.00 0.00 C ATOM 356 O CYS A 28 14.121 10.604 8.120 1.00 0.00 O ATOM 357 CB CYS A 28 16.163 13.318 8.008 1.00 0.00 C ATOM 358 SG CYS A 28 17.103 12.071 7.070 1.00 0.00 S ATOM 0 H CYS A 28 14.760 14.527 9.636 1.00 0.00 H new ATOM 0 HA CYS A 28 14.143 12.991 7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 28 16.179 14.259 7.458 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.664 13.496 8.959 1.00 0.00 H new ATOM 363 N CYS A 29 15.175 11.274 9.992 1.00 0.00 N ATOM 364 CA CYS A 29 15.177 9.948 10.597 1.00 0.00 C ATOM 365 C CYS A 29 13.764 9.378 10.664 1.00 0.00 C ATOM 366 O CYS A 29 13.530 8.226 10.301 1.00 0.00 O ATOM 367 CB CYS A 29 15.782 10.007 12.001 1.00 0.00 C ATOM 368 SG CYS A 29 17.571 9.666 12.055 1.00 0.00 S ATOM 0 H CYS A 29 15.610 11.998 10.563 1.00 0.00 H new ATOM 0 HA CYS A 29 15.785 9.292 9.973 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.598 10.995 12.423 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.267 9.288 12.638 1.00 0.00 H new ATOM 373 N GLY A 30 12.823 10.195 11.130 1.00 0.00 N ATOM 374 CA GLY A 30 11.444 9.754 11.235 1.00 0.00 C ATOM 375 C GLY A 30 10.930 9.145 9.946 1.00 0.00 C ATOM 376 O GLY A 30 10.350 8.060 9.953 1.00 0.00 O ATOM 0 H GLY A 30 12.991 11.153 11.436 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.360 9.022 12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.815 10.601 11.509 1.00 0.00 H new ATOM 380 N GLY A 31 11.142 9.845 8.836 1.00 0.00 N ATOM 381 CA GLY A 31 10.687 9.351 7.549 1.00 0.00 C ATOM 382 C GLY A 31 11.482 8.150 7.076 1.00 0.00 C ATOM 383 O GLY A 31 10.927 7.221 6.488 1.00 0.00 O ATOM 0 H GLY A 31 11.621 10.745 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.633 9.081 7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.764 10.148 6.809 1.00 0.00 H new ATOM 387 N VAL A 32 12.786 8.167 7.331 1.00 0.00 N ATOM 388 CA VAL A 32 13.659 7.072 6.926 1.00 0.00 C ATOM 389 C VAL A 32 13.180 5.745 7.505 1.00 0.00 C ATOM 390 O VAL A 32 12.951 4.782 6.774 1.00 0.00 O ATOM 391 CB VAL A 32 15.113 7.319 7.371 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.985 6.118 7.036 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.660 8.583 6.724 1.00 0.00 C ATOM 0 H VAL A 32 13.262 8.928 7.817 1.00 0.00 H new ATOM 0 HA VAL A 32 13.623 7.024 5.838 1.00 0.00 H new ATOM 0 HB VAL A 32 15.126 7.457 8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.009 6.311 7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.603 5.236 7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.969 5.946 5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.688 8.743 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.635 8.477 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.050 9.436 7.019 1.00 0.00 H new ATOM 403 N LYS A 33 13.031 5.702 8.825 1.00 0.00 N ATOM 404 CA LYS A 33 12.578 4.494 9.505 1.00 0.00 C ATOM 405 C LYS A 33 11.197 4.076 9.008 1.00 0.00 C ATOM 406 O LYS A 33 10.812 2.912 9.119 1.00 0.00 O ATOM 407 CB LYS A 33 12.541 4.719 11.018 1.00 0.00 C ATOM 408 CG LYS A 33 13.897 4.579 11.687 1.00 0.00 C ATOM 409 CD LYS A 33 13.834 4.949 13.159 1.00 0.00 C ATOM 410 CE LYS A 33 14.807 4.122 13.984 1.00 0.00 C ATOM 411 NZ LYS A 33 14.156 3.535 15.188 1.00 0.00 N ATOM 0 H LYS A 33 13.217 6.490 9.445 1.00 0.00 H new ATOM 0 HA LYS A 33 13.283 3.694 9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.147 5.715 11.219 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.849 4.006 11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.250 3.553 11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.621 5.218 11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.062 6.008 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.820 4.797 13.530 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.217 3.322 13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.644 4.748 14.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.853 2.979 15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.787 4.298 15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.373 2.917 14.893 1.00 0.00 H new ATOM 425 N LYS A 34 10.456 5.033 8.459 1.00 0.00 N ATOM 426 CA LYS A 34 9.120 4.764 7.943 1.00 0.00 C ATOM 427 C LYS A 34 9.189 4.020 6.613 1.00 0.00 C ATOM 428 O LYS A 34 8.377 3.135 6.342 1.00 0.00 O ATOM 429 CB LYS A 34 8.346 6.073 7.767 1.00 0.00 C ATOM 430 CG LYS A 34 6.849 5.877 7.604 1.00 0.00 C ATOM 431 CD LYS A 34 6.117 6.049 8.925 1.00 0.00 C ATOM 432 CE LYS A 34 4.836 6.851 8.751 1.00 0.00 C ATOM 433 NZ LYS A 34 4.162 7.109 10.054 1.00 0.00 N ATOM 0 H LYS A 34 10.759 6.002 8.360 1.00 0.00 H new ATOM 0 HA LYS A 34 8.599 4.134 8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.528 6.712 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.732 6.599 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.464 6.593 6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.653 4.882 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.881 5.070 9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.768 6.551 9.640 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.065 7.800 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.157 6.312 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.293 7.658 9.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.921 6.204 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.801 7.646 10.675 1.00 0.00 H new ATOM 447 N LEU A 35 10.165 4.383 5.788 1.00 0.00 N ATOM 448 CA LEU A 35 10.342 3.748 4.486 1.00 0.00 C ATOM 449 C LEU A 35 10.731 2.282 4.644 1.00 0.00 C ATOM 450 O LEU A 35 10.127 1.399 4.032 1.00 0.00 O ATOM 451 CB LEU A 35 11.410 4.487 3.678 1.00 0.00 C ATOM 452 CG LEU A 35 11.481 4.144 2.189 1.00 0.00 C ATOM 453 CD1 LEU A 35 12.164 5.262 1.416 1.00 0.00 C ATOM 454 CD2 LEU A 35 12.212 2.825 1.981 1.00 0.00 C ATOM 0 H LEU A 35 10.846 5.113 5.997 1.00 0.00 H new ATOM 0 HA LEU A 35 9.393 3.797 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.235 5.558 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.383 4.281 4.125 1.00 0.00 H new ATOM 0 HG LEU A 35 10.464 4.037 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.206 5.001 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.600 6.187 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.176 5.401 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.253 2.596 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.225 2.905 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.681 2.029 2.503 1.00 0.00 H new ATOM 466 N LEU A 36 11.740 2.029 5.469 1.00 0.00 N ATOM 467 CA LEU A 36 12.209 0.668 5.709 1.00 0.00 C ATOM 468 C LEU A 36 11.154 -0.149 6.448 1.00 0.00 C ATOM 469 O LEU A 36 11.035 -1.357 6.245 1.00 0.00 O ATOM 470 CB LEU A 36 13.509 0.690 6.515 1.00 0.00 C ATOM 471 CG LEU A 36 14.801 0.784 5.702 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.835 1.623 6.436 1.00 0.00 C ATOM 473 CD2 LEU A 36 15.349 -0.606 5.410 1.00 0.00 C ATOM 0 H LEU A 36 12.250 2.748 5.983 1.00 0.00 H new ATOM 0 HA LEU A 36 12.395 0.199 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 36 13.473 1.536 7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.551 -0.213 7.124 1.00 0.00 H new ATOM 0 HG LEU A 36 14.576 1.271 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.747 1.678 5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.443 2.628 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 16.057 1.165 7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.268 -0.520 4.831 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.558 -1.119 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.614 -1.175 4.841 1.00 0.00 H new ATOM 485 N ALA A 37 10.388 0.520 7.304 1.00 0.00 N ATOM 486 CA ALA A 37 9.339 -0.143 8.070 1.00 0.00 C ATOM 487 C ALA A 37 8.132 -0.455 7.192 1.00 0.00 C ATOM 488 O ALA A 37 7.486 -1.490 7.354 1.00 0.00 O ATOM 489 CB ALA A 37 8.925 0.719 9.253 1.00 0.00 C ATOM 0 H ALA A 37 10.474 1.520 7.484 1.00 0.00 H new ATOM 0 HA ALA A 37 9.737 -1.087 8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.141 0.212 9.816 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.786 0.887 9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.550 1.677 8.892 1.00 0.00 H new ATOM 495 N ALA A 38 7.834 0.447 6.262 1.00 0.00 N ATOM 496 CA ALA A 38 6.705 0.266 5.358 1.00 0.00 C ATOM 497 C ALA A 38 7.020 -0.772 4.286 1.00 0.00 C ATOM 498 O ALA A 38 6.132 -1.215 3.558 1.00 0.00 O ATOM 499 CB ALA A 38 6.326 1.593 4.715 1.00 0.00 C ATOM 0 H ALA A 38 8.358 1.309 6.115 1.00 0.00 H new ATOM 0 HA ALA A 38 5.859 -0.098 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.482 1.443 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.050 2.307 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.175 1.980 4.151 1.00 0.00 H new ATOM 505 N ALA A 39 8.289 -1.155 4.195 1.00 0.00 N ATOM 506 CA ALA A 39 8.721 -2.142 3.213 1.00 0.00 C ATOM 507 C ALA A 39 9.440 -3.307 3.885 1.00 0.00 C ATOM 508 O ALA A 39 10.668 -3.347 3.931 1.00 0.00 O ATOM 509 CB ALA A 39 9.622 -1.492 2.173 1.00 0.00 C ATOM 0 H ALA A 39 9.036 -0.797 4.790 1.00 0.00 H new ATOM 0 HA ALA A 39 7.835 -2.535 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.937 -2.240 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.076 -0.698 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.499 -1.071 2.664 1.00 0.00 H new ATOM 515 N ASN A 40 8.665 -4.253 4.406 1.00 0.00 N ATOM 516 CA ASN A 40 9.229 -5.418 5.077 1.00 0.00 C ATOM 517 C ASN A 40 9.540 -6.525 4.075 1.00 0.00 C ATOM 518 O ASN A 40 10.444 -7.334 4.286 1.00 0.00 O ATOM 519 CB ASN A 40 8.261 -5.937 6.143 1.00 0.00 C ATOM 520 CG ASN A 40 8.904 -6.958 7.061 1.00 0.00 C ATOM 521 OD1 ASN A 40 10.053 -7.354 6.859 1.00 0.00 O ATOM 522 ND2 ASN A 40 8.165 -7.390 8.076 1.00 0.00 N ATOM 0 H ASN A 40 7.646 -4.235 4.376 1.00 0.00 H new ATOM 0 HA ASN A 40 10.159 -5.115 5.557 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.895 -5.099 6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.395 -6.385 5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.545 -8.078 8.727 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.218 -7.034 8.205 1.00 0.00 H new ATOM 529 N THR A 41 8.784 -6.556 2.981 1.00 0.00 N ATOM 530 CA THR A 41 8.978 -7.563 1.946 1.00 0.00 C ATOM 531 C THR A 41 9.904 -7.052 0.848 1.00 0.00 C ATOM 532 O THR A 41 10.493 -5.977 0.968 1.00 0.00 O ATOM 533 CB THR A 41 7.638 -7.987 1.316 1.00 0.00 C ATOM 534 OG1 THR A 41 7.103 -6.913 0.535 1.00 0.00 O ATOM 535 CG2 THR A 41 6.637 -8.386 2.390 1.00 0.00 C ATOM 0 H THR A 41 8.032 -5.894 2.790 1.00 0.00 H new ATOM 0 HA THR A 41 9.434 -8.428 2.428 1.00 0.00 H new ATOM 0 HB THR A 41 7.820 -8.848 0.673 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.252 -7.191 0.136 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.698 -8.681 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.034 -9.222 2.965 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.460 -7.540 3.055 1.00 0.00 H new ATOM 543 N THR A 42 10.027 -7.828 -0.224 1.00 0.00 N ATOM 544 CA THR A 42 10.882 -7.454 -1.344 1.00 0.00 C ATOM 545 C THR A 42 10.174 -6.473 -2.272 1.00 0.00 C ATOM 546 O THR A 42 10.700 -5.414 -2.614 1.00 0.00 O ATOM 547 CB THR A 42 11.317 -8.688 -2.156 1.00 0.00 C ATOM 548 OG1 THR A 42 12.545 -9.210 -1.634 1.00 0.00 O ATOM 549 CG2 THR A 42 11.494 -8.335 -3.625 1.00 0.00 C ATOM 0 H THR A 42 9.545 -8.720 -0.340 1.00 0.00 H new ATOM 0 HA THR A 42 11.766 -6.977 -0.921 1.00 0.00 H new ATOM 0 HB THR A 42 10.536 -9.444 -2.072 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.814 -9.996 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.801 -9.223 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.550 -7.966 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.257 -7.563 -3.724 1.00 0.00 H new ATOM 557 N PRO A 43 8.951 -6.832 -2.691 1.00 0.00 N ATOM 558 CA PRO A 43 8.144 -5.996 -3.585 1.00 0.00 C ATOM 559 C PRO A 43 8.090 -4.542 -3.127 1.00 0.00 C ATOM 560 O PRO A 43 8.316 -3.624 -3.916 1.00 0.00 O ATOM 561 CB PRO A 43 6.754 -6.633 -3.507 1.00 0.00 C ATOM 562 CG PRO A 43 7.009 -8.055 -3.144 1.00 0.00 C ATOM 563 CD PRO A 43 8.261 -8.080 -2.323 1.00 0.00 C ATOM 0 HA PRO A 43 8.556 -5.961 -4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.133 -6.139 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.229 -6.555 -4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.171 -8.466 -2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.122 -8.667 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.039 -8.114 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.870 -8.955 -2.550 1.00 0.00 H new ATOM 571 N ASP A 44 7.790 -4.340 -1.849 1.00 0.00 N ATOM 572 CA ASP A 44 7.708 -2.997 -1.287 1.00 0.00 C ATOM 573 C ASP A 44 9.070 -2.311 -1.316 1.00 0.00 C ATOM 574 O ASP A 44 9.180 -1.144 -1.692 1.00 0.00 O ATOM 575 CB ASP A 44 7.183 -3.053 0.149 1.00 0.00 C ATOM 576 CG ASP A 44 5.671 -2.955 0.217 1.00 0.00 C ATOM 577 OD1 ASP A 44 5.022 -3.051 -0.845 1.00 0.00 O ATOM 578 OD2 ASP A 44 5.138 -2.782 1.333 1.00 0.00 O ATOM 0 H ASP A 44 7.600 -5.089 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 44 7.016 -2.417 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.505 -3.984 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.623 -2.240 0.726 1.00 0.00 H new ATOM 583 N ARG A 45 10.104 -3.044 -0.917 1.00 0.00 N ATOM 584 CA ARG A 45 11.459 -2.505 -0.896 1.00 0.00 C ATOM 585 C ARG A 45 11.926 -2.152 -2.305 1.00 0.00 C ATOM 586 O ARG A 45 12.774 -1.279 -2.487 1.00 0.00 O ATOM 587 CB ARG A 45 12.422 -3.514 -0.266 1.00 0.00 C ATOM 588 CG ARG A 45 12.500 -3.418 1.249 1.00 0.00 C ATOM 589 CD ARG A 45 13.896 -3.743 1.756 1.00 0.00 C ATOM 590 NE ARG A 45 13.927 -3.903 3.208 1.00 0.00 N ATOM 591 CZ ARG A 45 13.440 -4.965 3.841 1.00 0.00 C ATOM 592 NH1 ARG A 45 12.889 -5.955 3.154 1.00 0.00 N ATOM 593 NH2 ARG A 45 13.506 -5.037 5.164 1.00 0.00 N ATOM 0 H ARG A 45 10.030 -4.012 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 45 11.452 -1.595 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.111 -4.522 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.418 -3.362 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.221 -2.413 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.780 -4.104 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.250 -4.659 1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.582 -2.948 1.464 1.00 0.00 H new ATOM 0 HE ARG A 45 14.345 -3.159 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.838 -5.903 2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.516 -6.769 3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.931 -4.277 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.132 -5.852 5.650 1.00 0.00 H new ATOM 607 N GLN A 46 11.365 -2.836 -3.297 1.00 0.00 N ATOM 608 CA GLN A 46 11.725 -2.594 -4.690 1.00 0.00 C ATOM 609 C GLN A 46 11.209 -1.238 -5.158 1.00 0.00 C ATOM 610 O GLN A 46 11.961 -0.431 -5.704 1.00 0.00 O ATOM 611 CB GLN A 46 11.165 -3.702 -5.583 1.00 0.00 C ATOM 612 CG GLN A 46 12.117 -4.873 -5.770 1.00 0.00 C ATOM 613 CD GLN A 46 11.593 -5.900 -6.754 1.00 0.00 C ATOM 614 OE1 GLN A 46 10.752 -5.594 -7.600 1.00 0.00 O ATOM 615 NE2 GLN A 46 12.088 -7.128 -6.648 1.00 0.00 N ATOM 0 H GLN A 46 10.660 -3.561 -3.163 1.00 0.00 H new ATOM 0 HA GLN A 46 12.813 -2.593 -4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.233 -4.068 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.922 -3.282 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.081 -4.501 -6.118 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.290 -5.353 -4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.784 -7.337 -5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.773 -7.862 -7.283 1.00 0.00 H new ATOM 624 N ALA A 47 9.921 -0.993 -4.941 1.00 0.00 N ATOM 625 CA ALA A 47 9.305 0.266 -5.339 1.00 0.00 C ATOM 626 C ALA A 47 10.035 1.454 -4.722 1.00 0.00 C ATOM 627 O ALA A 47 10.540 2.322 -5.434 1.00 0.00 O ATOM 628 CB ALA A 47 7.836 0.284 -4.942 1.00 0.00 C ATOM 0 H ALA A 47 9.284 -1.651 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 47 9.379 0.350 -6.423 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.389 1.230 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.316 -0.538 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.750 0.172 -3.861 1.00 0.00 H new ATOM 634 N ALA A 48 10.088 1.487 -3.395 1.00 0.00 N ATOM 635 CA ALA A 48 10.758 2.568 -2.683 1.00 0.00 C ATOM 636 C ALA A 48 12.175 2.774 -3.207 1.00 0.00 C ATOM 637 O ALA A 48 12.548 3.880 -3.599 1.00 0.00 O ATOM 638 CB ALA A 48 10.782 2.281 -1.189 1.00 0.00 C ATOM 0 H ALA A 48 9.675 0.777 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 48 10.197 3.487 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.285 3.097 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.761 2.191 -0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.317 1.349 -1.006 1.00 0.00 H new ATOM 644 N CYS A 49 12.961 1.703 -3.210 1.00 0.00 N ATOM 645 CA CYS A 49 14.339 1.766 -3.685 1.00 0.00 C ATOM 646 C CYS A 49 14.419 2.486 -5.028 1.00 0.00 C ATOM 647 O CYS A 49 15.255 3.366 -5.223 1.00 0.00 O ATOM 648 CB CYS A 49 14.921 0.357 -3.813 1.00 0.00 C ATOM 649 SG CYS A 49 15.700 -0.267 -2.288 1.00 0.00 S ATOM 0 H CYS A 49 12.668 0.780 -2.889 1.00 0.00 H new ATOM 0 HA CYS A 49 14.923 2.328 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.126 -0.328 -4.109 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.660 0.352 -4.614 1.00 0.00 H new ATOM 654 N ASN A 50 13.542 2.103 -5.951 1.00 0.00 N ATOM 655 CA ASN A 50 13.513 2.711 -7.276 1.00 0.00 C ATOM 656 C ASN A 50 13.335 4.224 -7.177 1.00 0.00 C ATOM 657 O ASN A 50 13.950 4.982 -7.927 1.00 0.00 O ATOM 658 CB ASN A 50 12.383 2.108 -8.113 1.00 0.00 C ATOM 659 CG ASN A 50 12.505 0.602 -8.249 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.608 0.055 -8.248 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.369 -0.075 -8.366 1.00 0.00 N ATOM 0 H ASN A 50 12.843 1.375 -5.805 1.00 0.00 H new ATOM 0 HA ASN A 50 14.466 2.506 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.425 2.352 -7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.387 2.561 -9.104 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.388 -1.090 -8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.477 0.420 -8.362 1.00 0.00 H new ATOM 668 N CYS A 51 12.491 4.655 -6.246 1.00 0.00 N ATOM 669 CA CYS A 51 12.231 6.076 -6.048 1.00 0.00 C ATOM 670 C CYS A 51 13.401 6.748 -5.334 1.00 0.00 C ATOM 671 O CYS A 51 13.669 7.933 -5.538 1.00 0.00 O ATOM 672 CB CYS A 51 10.946 6.273 -5.241 1.00 0.00 C ATOM 673 SG CYS A 51 9.420 6.099 -6.220 1.00 0.00 S ATOM 0 H CYS A 51 11.975 4.040 -5.616 1.00 0.00 H new ATOM 0 HA CYS A 51 12.111 6.538 -7.028 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.927 5.549 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.963 7.264 -4.787 1.00 0.00 H new ATOM 678 N LEU A 52 14.094 5.983 -4.498 1.00 0.00 N ATOM 679 CA LEU A 52 15.236 6.504 -3.754 1.00 0.00 C ATOM 680 C LEU A 52 16.440 6.700 -4.670 1.00 0.00 C ATOM 681 O LEU A 52 16.991 7.797 -4.762 1.00 0.00 O ATOM 682 CB LEU A 52 15.601 5.554 -2.611 1.00 0.00 C ATOM 683 CG LEU A 52 14.908 5.817 -1.273 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.250 4.725 -0.271 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.299 7.184 -0.730 1.00 0.00 C ATOM 0 H LEU A 52 13.886 5.001 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 52 14.956 7.473 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.369 4.536 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.679 5.602 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 52 13.830 5.807 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.748 4.929 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.919 3.761 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.328 4.702 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.797 7.354 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.378 7.222 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.002 7.956 -1.440 1.00 0.00 H new ATOM 697 N LYS A 53 16.842 5.630 -5.348 1.00 0.00 N ATOM 698 CA LYS A 53 17.977 5.685 -6.260 1.00 0.00 C ATOM 699 C LYS A 53 17.835 6.847 -7.238 1.00 0.00 C ATOM 700 O LYS A 53 18.798 7.564 -7.509 1.00 0.00 O ATOM 701 CB LYS A 53 18.102 4.368 -7.031 1.00 0.00 C ATOM 702 CG LYS A 53 19.531 4.014 -7.404 1.00 0.00 C ATOM 703 CD LYS A 53 19.720 2.512 -7.527 1.00 0.00 C ATOM 704 CE LYS A 53 18.824 1.925 -8.608 1.00 0.00 C ATOM 705 NZ LYS A 53 17.683 1.164 -8.029 1.00 0.00 N ATOM 0 H LYS A 53 16.398 4.714 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 53 18.879 5.840 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.683 3.563 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.503 4.431 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.791 4.493 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.213 4.407 -6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.762 2.293 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.499 2.037 -6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.442 2.728 -9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.411 1.267 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.835 1.313 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.916 0.151 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.500 1.496 -7.060 1.00 0.00 H new ATOM 719 N SER A 54 16.628 7.028 -7.763 1.00 0.00 N ATOM 720 CA SER A 54 16.360 8.102 -8.712 1.00 0.00 C ATOM 721 C SER A 54 16.284 9.449 -8.001 1.00 0.00 C ATOM 722 O SER A 54 16.532 10.495 -8.600 1.00 0.00 O ATOM 723 CB SER A 54 15.054 7.834 -9.463 1.00 0.00 C ATOM 724 OG SER A 54 14.725 8.918 -10.316 1.00 0.00 O ATOM 0 H SER A 54 15.820 6.445 -7.547 1.00 0.00 H new ATOM 0 HA SER A 54 17.182 8.135 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.149 6.921 -10.050 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.247 7.671 -8.749 1.00 0.00 H new ATOM 0 HG SER A 54 13.888 8.722 -10.786 1.00 0.00 H new ATOM 730 N ALA A 55 15.937 9.415 -6.718 1.00 0.00 N ATOM 731 CA ALA A 55 15.829 10.632 -5.923 1.00 0.00 C ATOM 732 C ALA A 55 17.208 11.186 -5.577 1.00 0.00 C ATOM 733 O ALA A 55 17.496 12.357 -5.823 1.00 0.00 O ATOM 734 CB ALA A 55 15.032 10.365 -4.655 1.00 0.00 C ATOM 0 H ALA A 55 15.726 8.558 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 55 15.305 11.380 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.959 11.282 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.031 10.023 -4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.533 9.598 -4.065 1.00 0.00 H new ATOM 740 N ALA A 56 18.055 10.336 -5.005 1.00 0.00 N ATOM 741 CA ALA A 56 19.403 10.741 -4.627 1.00 0.00 C ATOM 742 C ALA A 56 20.237 11.089 -5.855 1.00 0.00 C ATOM 743 O ALA A 56 21.299 11.699 -5.744 1.00 0.00 O ATOM 744 CB ALA A 56 20.078 9.640 -3.823 1.00 0.00 C ATOM 0 H ALA A 56 17.831 9.364 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 56 19.327 11.635 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.084 9.956 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.500 9.442 -2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.134 8.733 -4.424 1.00 0.00 H new ATOM 750 N GLY A 57 19.748 10.696 -7.028 1.00 0.00 N ATOM 751 CA GLY A 57 20.462 10.975 -8.260 1.00 0.00 C ATOM 752 C GLY A 57 20.642 12.460 -8.502 1.00 0.00 C ATOM 753 O GLY A 57 21.470 12.867 -9.317 1.00 0.00 O ATOM 0 H GLY A 57 18.871 10.190 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.440 10.494 -8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.920 10.537 -9.098 1.00 0.00 H new ATOM 757 N SER A 58 19.865 13.272 -7.794 1.00 0.00 N ATOM 758 CA SER A 58 19.939 14.721 -7.940 1.00 0.00 C ATOM 759 C SER A 58 20.903 15.321 -6.921 1.00 0.00 C ATOM 760 O SER A 58 21.095 16.537 -6.873 1.00 0.00 O ATOM 761 CB SER A 58 18.551 15.344 -7.774 1.00 0.00 C ATOM 762 OG SER A 58 17.929 14.892 -6.583 1.00 0.00 O ATOM 0 H SER A 58 19.177 12.951 -7.113 1.00 0.00 H new ATOM 0 HA SER A 58 20.311 14.942 -8.941 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.636 16.430 -7.754 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.929 15.089 -8.632 1.00 0.00 H new ATOM 0 HG SER A 58 17.649 13.960 -6.694 1.00 0.00 H new ATOM 768 N ILE A 59 21.506 14.460 -6.108 1.00 0.00 N ATOM 769 CA ILE A 59 22.451 14.904 -5.091 1.00 0.00 C ATOM 770 C ILE A 59 23.851 15.066 -5.673 1.00 0.00 C ATOM 771 O ILE A 59 24.506 14.085 -6.028 1.00 0.00 O ATOM 772 CB ILE A 59 22.510 13.918 -3.909 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.100 13.619 -3.395 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.378 14.480 -2.793 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.074 12.658 -2.227 1.00 0.00 C ATOM 0 H ILE A 59 21.357 13.451 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 59 22.096 15.870 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 59 22.956 12.985 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.625 14.554 -3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.505 13.205 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.410 13.772 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.388 14.647 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 59 22.959 15.425 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.043 12.492 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.520 11.709 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.641 13.079 -1.397 1.00 0.00 H new ATOM 787 N THR A 60 24.306 16.312 -5.768 1.00 0.00 N ATOM 788 CA THR A 60 25.628 16.603 -6.307 1.00 0.00 C ATOM 789 C THR A 60 26.720 16.256 -5.302 1.00 0.00 C ATOM 790 O THR A 60 26.683 16.696 -4.153 1.00 0.00 O ATOM 791 CB THR A 60 25.760 18.087 -6.700 1.00 0.00 C ATOM 792 OG1 THR A 60 27.102 18.366 -7.116 1.00 0.00 O ATOM 793 CG2 THR A 60 25.387 18.990 -5.534 1.00 0.00 C ATOM 0 H THR A 60 23.778 17.135 -5.478 1.00 0.00 H new ATOM 0 HA THR A 60 25.749 15.987 -7.198 1.00 0.00 H new ATOM 0 HB THR A 60 25.076 18.284 -7.525 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.177 19.311 -7.366 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.488 20.033 -5.835 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.356 18.795 -5.238 1.00 0.00 H new ATOM 0 HG23 THR A 60 26.050 18.790 -4.692 1.00 0.00 H new ATOM 801 N LYS A 61 27.693 15.465 -5.742 1.00 0.00 N ATOM 802 CA LYS A 61 28.798 15.059 -4.881 1.00 0.00 C ATOM 803 C LYS A 61 28.281 14.398 -3.607 1.00 0.00 C ATOM 804 O LYS A 61 28.705 14.741 -2.502 1.00 0.00 O ATOM 805 CB LYS A 61 29.665 16.269 -4.526 1.00 0.00 C ATOM 806 CG LYS A 61 30.648 16.655 -5.618 1.00 0.00 C ATOM 807 CD LYS A 61 31.964 17.143 -5.036 1.00 0.00 C ATOM 808 CE LYS A 61 31.961 18.652 -4.840 1.00 0.00 C ATOM 809 NZ LYS A 61 33.007 19.320 -5.663 1.00 0.00 N ATOM 0 H LYS A 61 27.739 15.092 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 61 29.403 14.333 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.017 17.120 -4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.217 16.054 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.831 15.797 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.213 17.436 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.145 16.651 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.783 16.863 -5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 61 30.981 19.051 -5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.125 18.882 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 32.973 20.347 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.944 18.958 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 32.836 19.122 -6.670 1.00 0.00 H new ATOM 823 N LEU A 62 27.366 13.450 -3.768 1.00 0.00 N ATOM 824 CA LEU A 62 26.792 12.739 -2.630 1.00 0.00 C ATOM 825 C LEU A 62 27.889 12.182 -1.727 1.00 0.00 C ATOM 826 O LEU A 62 28.903 11.675 -2.206 1.00 0.00 O ATOM 827 CB LEU A 62 25.889 11.604 -3.115 1.00 0.00 C ATOM 828 CG LEU A 62 25.329 10.683 -2.031 1.00 0.00 C ATOM 829 CD1 LEU A 62 23.995 11.206 -1.522 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.179 9.264 -2.561 1.00 0.00 C ATOM 0 H LEU A 62 27.005 13.155 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 62 26.196 13.447 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.052 12.040 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.451 10.997 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 62 26.032 10.667 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.612 10.537 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.131 12.203 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.284 11.253 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.779 8.623 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.498 9.264 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.153 8.888 -2.876 1.00 0.00 H new ATOM 842 N ASN A 63 27.676 12.277 -0.419 1.00 0.00 N ATOM 843 CA ASN A 63 28.646 11.781 0.551 1.00 0.00 C ATOM 844 C ASN A 63 28.176 10.466 1.166 1.00 0.00 C ATOM 845 O ASN A 63 27.322 10.452 2.053 1.00 0.00 O ATOM 846 CB ASN A 63 28.874 12.818 1.652 1.00 0.00 C ATOM 847 CG ASN A 63 30.274 12.749 2.230 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.762 11.673 2.578 1.00 0.00 O ATOM 849 ND2 ASN A 63 30.928 13.900 2.335 1.00 0.00 N ATOM 0 H ASN A 63 26.841 12.693 -0.006 1.00 0.00 H new ATOM 0 HA ASN A 63 29.586 11.603 0.029 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.699 13.816 1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.147 12.664 2.449 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.874 13.916 2.717 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.485 14.768 2.034 1.00 0.00 H new ATOM 856 N THR A 64 28.740 9.360 0.688 1.00 0.00 N ATOM 857 CA THR A 64 28.379 8.040 1.190 1.00 0.00 C ATOM 858 C THR A 64 28.529 7.968 2.705 1.00 0.00 C ATOM 859 O THR A 64 27.776 7.266 3.380 1.00 0.00 O ATOM 860 CB THR A 64 29.243 6.940 0.547 1.00 0.00 C ATOM 861 OG1 THR A 64 30.619 7.337 0.541 1.00 0.00 O ATOM 862 CG2 THR A 64 28.786 6.655 -0.876 1.00 0.00 C ATOM 0 H THR A 64 29.448 9.353 -0.046 1.00 0.00 H new ATOM 0 HA THR A 64 27.335 7.875 0.923 1.00 0.00 H new ATOM 0 HB THR A 64 29.131 6.030 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.161 6.631 0.132 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.411 5.875 -1.310 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.748 6.324 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.871 7.562 -1.474 1.00 0.00 H new ATOM 870 N ASN A 65 29.504 8.699 3.234 1.00 0.00 N ATOM 871 CA ASN A 65 29.753 8.717 4.671 1.00 0.00 C ATOM 872 C ASN A 65 28.575 9.336 5.419 1.00 0.00 C ATOM 873 O ASN A 65 28.100 8.787 6.412 1.00 0.00 O ATOM 874 CB ASN A 65 31.033 9.497 4.979 1.00 0.00 C ATOM 875 CG ASN A 65 32.272 8.810 4.437 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.489 7.621 4.672 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.092 9.559 3.709 1.00 0.00 N ATOM 0 H ASN A 65 30.135 9.287 2.689 1.00 0.00 H new ATOM 0 HA ASN A 65 29.874 7.687 5.006 1.00 0.00 H new ATOM 0 HB2 ASN A 65 30.958 10.497 4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.131 9.619 6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 65 33.942 9.153 3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 65 32.871 10.540 3.540 1.00 0.00 H new ATOM 884 N ASN A 66 28.109 10.482 4.933 1.00 0.00 N ATOM 885 CA ASN A 66 26.987 11.176 5.555 1.00 0.00 C ATOM 886 C ASN A 66 25.681 10.426 5.310 1.00 0.00 C ATOM 887 O ASN A 66 24.843 10.311 6.204 1.00 0.00 O ATOM 888 CB ASN A 66 26.879 12.602 5.013 1.00 0.00 C ATOM 889 CG ASN A 66 28.123 13.423 5.292 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.023 12.983 6.007 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.179 14.624 4.727 1.00 0.00 N ATOM 0 H ASN A 66 28.491 10.950 4.111 1.00 0.00 H new ATOM 0 HA ASN A 66 27.167 11.216 6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.704 12.567 3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.015 13.093 5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 66 28.992 15.222 4.879 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.410 14.948 4.141 1.00 0.00 H new ATOM 898 N ALA A 67 25.516 9.917 4.094 1.00 0.00 N ATOM 899 CA ALA A 67 24.314 9.176 3.732 1.00 0.00 C ATOM 900 C ALA A 67 24.206 7.882 4.532 1.00 0.00 C ATOM 901 O ALA A 67 23.124 7.512 4.987 1.00 0.00 O ATOM 902 CB ALA A 67 24.307 8.879 2.240 1.00 0.00 C ATOM 0 H ALA A 67 26.200 10.004 3.342 1.00 0.00 H new ATOM 0 HA ALA A 67 23.449 9.794 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.404 8.325 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.329 9.815 1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.183 8.283 1.983 1.00 0.00 H new ATOM 908 N ALA A 68 25.333 7.198 4.698 1.00 0.00 N ATOM 909 CA ALA A 68 25.364 5.946 5.444 1.00 0.00 C ATOM 910 C ALA A 68 25.301 6.200 6.946 1.00 0.00 C ATOM 911 O ALA A 68 24.946 5.313 7.721 1.00 0.00 O ATOM 912 CB ALA A 68 26.614 5.153 5.093 1.00 0.00 C ATOM 0 H ALA A 68 26.237 7.490 4.326 1.00 0.00 H new ATOM 0 HA ALA A 68 24.487 5.363 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.624 4.221 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.616 4.931 4.026 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.499 5.738 5.344 1.00 0.00 H new ATOM 918 N ALA A 69 25.650 7.417 7.351 1.00 0.00 N ATOM 919 CA ALA A 69 25.632 7.788 8.760 1.00 0.00 C ATOM 920 C ALA A 69 24.207 8.029 9.247 1.00 0.00 C ATOM 921 O ALA A 69 23.865 7.705 10.385 1.00 0.00 O ATOM 922 CB ALA A 69 26.487 9.025 8.992 1.00 0.00 C ATOM 0 H ALA A 69 25.949 8.163 6.722 1.00 0.00 H new ATOM 0 HA ALA A 69 26.048 6.959 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.464 9.290 10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.514 8.819 8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.096 9.854 8.401 1.00 0.00 H new ATOM 928 N LEU A 70 23.379 8.600 8.378 1.00 0.00 N ATOM 929 CA LEU A 70 21.990 8.885 8.720 1.00 0.00 C ATOM 930 C LEU A 70 21.317 7.660 9.332 1.00 0.00 C ATOM 931 O LEU A 70 20.797 7.700 10.447 1.00 0.00 O ATOM 932 CB LEU A 70 21.221 9.336 7.477 1.00 0.00 C ATOM 933 CG LEU A 70 19.726 9.014 7.459 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.027 9.659 8.645 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.097 9.473 6.151 1.00 0.00 C ATOM 0 H LEU A 70 23.646 8.874 7.432 1.00 0.00 H new ATOM 0 HA LEU A 70 21.980 9.688 9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.341 10.414 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.682 8.876 6.603 1.00 0.00 H new ATOM 0 HG LEU A 70 19.605 7.933 7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.964 9.419 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.459 9.281 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.156 10.740 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.033 9.236 6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.228 10.550 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.579 8.963 5.317 1.00 0.00 H new ATOM 947 N PRO A 71 21.328 6.545 8.587 1.00 0.00 N ATOM 948 CA PRO A 71 20.726 5.287 9.037 1.00 0.00 C ATOM 949 C PRO A 71 21.505 4.647 10.182 1.00 0.00 C ATOM 950 O PRO A 71 20.929 4.260 11.197 1.00 0.00 O ATOM 951 CB PRO A 71 20.783 4.400 7.791 1.00 0.00 C ATOM 952 CG PRO A 71 21.915 4.945 6.990 1.00 0.00 C ATOM 953 CD PRO A 71 21.930 6.426 7.248 1.00 0.00 C ATOM 0 HA PRO A 71 19.719 5.435 9.426 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.952 3.356 8.055 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.848 4.440 7.233 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.859 4.488 7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.779 4.735 5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.943 6.828 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.355 6.970 6.499 1.00 0.00 H new ATOM 961 N GLY A 72 22.819 4.540 10.010 1.00 0.00 N ATOM 962 CA GLY A 72 23.655 3.948 11.037 1.00 0.00 C ATOM 963 C GLY A 72 23.531 4.661 12.369 1.00 0.00 C ATOM 964 O GLY A 72 23.741 4.063 13.424 1.00 0.00 O ATOM 0 H GLY A 72 23.319 4.853 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.383 2.900 11.163 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.695 3.971 10.712 1.00 0.00 H new ATOM 968 N LYS A 73 23.190 5.945 12.321 1.00 0.00 N ATOM 969 CA LYS A 73 23.039 6.742 13.533 1.00 0.00 C ATOM 970 C LYS A 73 21.714 6.434 14.224 1.00 0.00 C ATOM 971 O LYS A 73 21.671 6.210 15.434 1.00 0.00 O ATOM 972 CB LYS A 73 23.118 8.233 13.199 1.00 0.00 C ATOM 973 CG LYS A 73 24.535 8.732 12.975 1.00 0.00 C ATOM 974 CD LYS A 73 24.922 9.790 13.996 1.00 0.00 C ATOM 975 CE LYS A 73 25.977 10.736 13.444 1.00 0.00 C ATOM 976 NZ LYS A 73 26.302 11.826 14.406 1.00 0.00 N ATOM 0 H LYS A 73 23.013 6.456 11.456 1.00 0.00 H new ATOM 0 HA LYS A 73 23.851 6.484 14.212 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.527 8.428 12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.665 8.803 14.010 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.230 7.895 13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.621 9.146 11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.038 10.358 14.286 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.300 9.307 14.897 1.00 0.00 H new ATOM 0 HE2 LYS A 73 26.882 10.175 13.211 1.00 0.00 H new ATOM 0 HE3 LYS A 73 25.622 11.170 12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.025 12.449 13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 25.444 12.377 14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.665 11.413 15.289 1.00 0.00 H new ATOM 990 N CYS A 74 20.635 6.424 13.448 1.00 0.00 N ATOM 991 CA CYS A 74 19.309 6.143 13.986 1.00 0.00 C ATOM 992 C CYS A 74 19.065 4.639 14.072 1.00 0.00 C ATOM 993 O CYS A 74 17.980 4.196 14.447 1.00 0.00 O ATOM 994 CB CYS A 74 18.235 6.796 13.114 1.00 0.00 C ATOM 995 SG CYS A 74 17.770 8.477 13.642 1.00 0.00 S ATOM 0 H CYS A 74 20.653 6.607 12.445 1.00 0.00 H new ATOM 0 HA CYS A 74 19.255 6.560 14.992 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.592 6.836 12.085 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.346 6.166 13.119 1.00 0.00 H new ATOM 1000 N GLY A 75 20.083 3.859 13.723 1.00 0.00 N ATOM 1001 CA GLY A 75 19.960 2.414 13.768 1.00 0.00 C ATOM 1002 C GLY A 75 18.914 1.891 12.802 1.00 0.00 C ATOM 1003 O GLY A 75 18.148 0.987 13.135 1.00 0.00 O ATOM 0 H GLY A 75 20.991 4.202 13.410 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.924 1.963 13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 75 19.701 2.106 14.781 1.00 0.00 H new ATOM 1007 N VAL A 76 18.881 2.462 11.602 1.00 0.00 N ATOM 1008 CA VAL A 76 17.922 2.048 10.585 1.00 0.00 C ATOM 1009 C VAL A 76 18.526 2.144 9.189 1.00 0.00 C ATOM 1010 O VAL A 76 18.302 3.117 8.470 1.00 0.00 O ATOM 1011 CB VAL A 76 16.643 2.905 10.639 1.00 0.00 C ATOM 1012 CG1 VAL A 76 16.990 4.386 10.602 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.708 2.539 9.496 1.00 0.00 C ATOM 0 H VAL A 76 19.507 3.212 11.311 1.00 0.00 H new ATOM 0 HA VAL A 76 17.665 1.010 10.796 1.00 0.00 H new ATOM 0 HB VAL A 76 16.129 2.701 11.578 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.074 4.975 10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.618 4.634 11.458 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.527 4.611 9.681 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.810 3.154 9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.211 2.713 8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.433 1.487 9.574 1.00 0.00 H new ATOM 1023 N ASN A 77 19.293 1.127 8.811 1.00 0.00 N ATOM 1024 CA ASN A 77 19.930 1.095 7.499 1.00 0.00 C ATOM 1025 C ASN A 77 19.245 0.084 6.585 1.00 0.00 C ATOM 1026 O ASN A 77 18.283 -0.574 6.982 1.00 0.00 O ATOM 1027 CB ASN A 77 21.414 0.750 7.638 1.00 0.00 C ATOM 1028 CG ASN A 77 21.670 -0.274 8.727 1.00 0.00 C ATOM 1029 OD1 ASN A 77 21.974 0.077 9.867 1.00 0.00 O ATOM 1030 ND2 ASN A 77 21.549 -1.550 8.378 1.00 0.00 N ATOM 0 H ASN A 77 19.489 0.314 9.395 1.00 0.00 H new ATOM 0 HA ASN A 77 19.834 2.085 7.052 1.00 0.00 H new ATOM 0 HB2 ASN A 77 21.786 0.366 6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 77 21.976 1.658 7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 77 21.710 -2.285 9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 77 21.295 -1.795 7.421 1.00 0.00 H new ATOM 1037 N ILE A 78 19.747 -0.034 5.361 1.00 0.00 N ATOM 1038 CA ILE A 78 19.185 -0.966 4.392 1.00 0.00 C ATOM 1039 C ILE A 78 20.171 -2.083 4.066 1.00 0.00 C ATOM 1040 O ILE A 78 21.380 -1.951 4.254 1.00 0.00 O ATOM 1041 CB ILE A 78 18.788 -0.250 3.087 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.876 0.744 2.674 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.452 0.458 3.256 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.685 2.125 3.260 1.00 0.00 C ATOM 0 H ILE A 78 20.542 0.504 5.017 1.00 0.00 H new ATOM 0 HA ILE A 78 18.293 -1.395 4.848 1.00 0.00 H new ATOM 0 HB ILE A 78 18.684 -0.995 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.847 0.357 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.895 0.819 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.185 0.959 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.683 -0.272 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.529 1.195 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.492 2.777 2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.729 2.532 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.696 2.063 4.348 1.00 0.00 H new ATOM 1056 N PRO A 79 19.644 -3.210 3.565 1.00 0.00 N ATOM 1057 CA PRO A 79 20.461 -4.371 3.200 1.00 0.00 C ATOM 1058 C PRO A 79 21.323 -4.110 1.970 1.00 0.00 C ATOM 1059 O PRO A 79 22.174 -4.925 1.611 1.00 0.00 O ATOM 1060 CB PRO A 79 19.423 -5.456 2.905 1.00 0.00 C ATOM 1061 CG PRO A 79 18.195 -4.709 2.513 1.00 0.00 C ATOM 1062 CD PRO A 79 18.211 -3.437 3.314 1.00 0.00 C ATOM 0 HA PRO A 79 21.165 -4.638 3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 79 19.757 -6.116 2.105 1.00 0.00 H new ATOM 0 HB3 PRO A 79 19.244 -6.081 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 79 18.192 -4.497 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 79 17.299 -5.292 2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 79 17.764 -2.610 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 79 17.652 -3.541 4.244 1.00 0.00 H new ATOM 1070 N TYR A 80 21.098 -2.970 1.327 1.00 0.00 N ATOM 1071 CA TYR A 80 21.854 -2.602 0.135 1.00 0.00 C ATOM 1072 C TYR A 80 22.508 -1.235 0.305 1.00 0.00 C ATOM 1073 O TYR A 80 22.199 -0.497 1.240 1.00 0.00 O ATOM 1074 CB TYR A 80 20.939 -2.594 -1.091 1.00 0.00 C ATOM 1075 CG TYR A 80 20.874 -3.924 -1.807 1.00 0.00 C ATOM 1076 CD1 TYR A 80 20.320 -5.040 -1.193 1.00 0.00 C ATOM 1077 CD2 TYR A 80 21.367 -4.064 -3.099 1.00 0.00 C ATOM 1078 CE1 TYR A 80 20.259 -6.257 -1.843 1.00 0.00 C ATOM 1079 CE2 TYR A 80 21.309 -5.277 -3.758 1.00 0.00 C ATOM 1080 CZ TYR A 80 20.755 -6.371 -3.125 1.00 0.00 C ATOM 1081 OH TYR A 80 20.695 -7.581 -3.777 1.00 0.00 O ATOM 0 H TYR A 80 20.398 -2.284 1.611 1.00 0.00 H new ATOM 0 HA TYR A 80 22.639 -3.344 -0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 80 19.934 -2.308 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.287 -1.832 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.930 -4.954 -0.189 1.00 0.00 H new ATOM 0 HD2 TYR A 80 21.803 -3.210 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 80 19.825 -7.115 -1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 80 21.695 -5.368 -4.763 1.00 0.00 H new ATOM 0 HH TYR A 80 21.086 -7.490 -4.671 1.00 0.00 H new ATOM 1091 N LYS A 81 23.415 -0.903 -0.608 1.00 0.00 N ATOM 1092 CA LYS A 81 24.113 0.376 -0.564 1.00 0.00 C ATOM 1093 C LYS A 81 23.292 1.469 -1.241 1.00 0.00 C ATOM 1094 O LYS A 81 22.359 1.181 -1.992 1.00 0.00 O ATOM 1095 CB LYS A 81 25.481 0.258 -1.241 1.00 0.00 C ATOM 1096 CG LYS A 81 25.411 -0.261 -2.667 1.00 0.00 C ATOM 1097 CD LYS A 81 26.381 -1.409 -2.890 1.00 0.00 C ATOM 1098 CE LYS A 81 27.821 -0.921 -2.934 1.00 0.00 C ATOM 1099 NZ LYS A 81 28.752 -1.884 -2.284 1.00 0.00 N ATOM 0 H LYS A 81 23.684 -1.503 -1.388 1.00 0.00 H new ATOM 0 HA LYS A 81 24.254 0.648 0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 81 25.962 1.236 -1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 81 26.113 -0.407 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 81 24.396 -0.593 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.637 0.548 -3.361 1.00 0.00 H new ATOM 0 HD2 LYS A 81 26.268 -2.142 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 81 26.139 -1.915 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.121 -0.769 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.892 0.046 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.723 -1.516 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.481 -2.010 -1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 28.703 -2.799 -2.775 1.00 0.00 H new ATOM 1113 N ILE A 82 23.646 2.721 -0.973 1.00 0.00 N ATOM 1114 CA ILE A 82 22.943 3.855 -1.559 1.00 0.00 C ATOM 1115 C ILE A 82 23.771 4.506 -2.661 1.00 0.00 C ATOM 1116 O ILE A 82 24.621 5.356 -2.394 1.00 0.00 O ATOM 1117 CB ILE A 82 22.600 4.916 -0.496 1.00 0.00 C ATOM 1118 CG1 ILE A 82 21.740 4.302 0.610 1.00 0.00 C ATOM 1119 CG2 ILE A 82 21.886 6.096 -1.136 1.00 0.00 C ATOM 1120 CD1 ILE A 82 22.468 4.147 1.927 1.00 0.00 C ATOM 0 H ILE A 82 24.415 2.976 -0.354 1.00 0.00 H new ATOM 0 HA ILE A 82 22.018 3.466 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 82 23.528 5.276 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 82 20.859 4.926 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 82 21.386 3.324 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 82 21.651 6.837 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.531 6.546 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 82 20.964 5.753 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 82 21.797 3.706 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 82 23.334 3.499 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.799 5.125 2.277 1.00 0.00 H new ATOM 1132 N SER A 83 23.517 4.102 -3.902 1.00 0.00 N ATOM 1133 CA SER A 83 24.241 4.644 -5.045 1.00 0.00 C ATOM 1134 C SER A 83 23.465 4.414 -6.339 1.00 0.00 C ATOM 1135 O SER A 83 22.396 3.801 -6.335 1.00 0.00 O ATOM 1136 CB SER A 83 25.627 4.005 -5.148 1.00 0.00 C ATOM 1137 OG SER A 83 25.556 2.728 -5.759 1.00 0.00 O ATOM 0 H SER A 83 22.815 3.401 -4.141 1.00 0.00 H new ATOM 0 HA SER A 83 24.354 5.718 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.287 4.652 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 83 26.063 3.912 -4.153 1.00 0.00 H new ATOM 0 HG SER A 83 24.812 2.221 -5.372 1.00 0.00 H new ATOM 1143 N THR A 84 24.010 4.909 -7.445 1.00 0.00 N ATOM 1144 CA THR A 84 23.370 4.759 -8.746 1.00 0.00 C ATOM 1145 C THR A 84 23.643 3.381 -9.338 1.00 0.00 C ATOM 1146 O THR A 84 23.185 3.063 -10.435 1.00 0.00 O ATOM 1147 CB THR A 84 23.852 5.835 -9.737 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.268 6.015 -9.614 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.144 7.158 -9.486 1.00 0.00 C ATOM 0 H THR A 84 24.894 5.418 -7.466 1.00 0.00 H new ATOM 0 HA THR A 84 22.298 4.877 -8.586 1.00 0.00 H new ATOM 0 HB THR A 84 23.615 5.500 -10.747 1.00 0.00 H new ATOM 0 HG1 THR A 84 25.567 6.699 -10.248 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.501 7.902 -10.198 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.069 7.024 -9.609 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.354 7.496 -8.471 1.00 0.00 H new ATOM 1157 N THR A 85 24.393 2.565 -8.603 1.00 0.00 N ATOM 1158 CA THR A 85 24.727 1.220 -9.055 1.00 0.00 C ATOM 1159 C THR A 85 24.138 0.165 -8.126 1.00 0.00 C ATOM 1160 O THR A 85 24.634 -0.960 -8.053 1.00 0.00 O ATOM 1161 CB THR A 85 26.252 1.019 -9.140 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.830 1.096 -7.832 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.887 2.067 -10.043 1.00 0.00 C ATOM 0 H THR A 85 24.780 2.812 -7.692 1.00 0.00 H new ATOM 0 HA THR A 85 24.296 1.105 -10.050 1.00 0.00 H new ATOM 0 HB THR A 85 26.443 0.033 -9.564 1.00 0.00 H new ATOM 0 HG1 THR A 85 26.274 1.668 -7.262 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.964 1.905 -10.087 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.466 1.987 -11.045 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.686 3.061 -9.644 1.00 0.00 H new ATOM 1171 N THR A 86 23.076 0.534 -7.417 1.00 0.00 N ATOM 1172 CA THR A 86 22.419 -0.381 -6.492 1.00 0.00 C ATOM 1173 C THR A 86 21.204 -1.037 -7.137 1.00 0.00 C ATOM 1174 O THR A 86 20.383 -0.366 -7.761 1.00 0.00 O ATOM 1175 CB THR A 86 21.976 0.343 -5.207 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.122 0.808 -4.486 1.00 0.00 O ATOM 1177 CG2 THR A 86 21.154 -0.582 -4.321 1.00 0.00 C ATOM 0 H THR A 86 22.652 1.461 -7.466 1.00 0.00 H new ATOM 0 HA THR A 86 23.149 -1.149 -6.235 1.00 0.00 H new ATOM 0 HB THR A 86 21.357 1.194 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.833 1.242 -3.657 1.00 0.00 H new ATOM 0 HG21 THR A 86 20.852 -0.049 -3.419 1.00 0.00 H new ATOM 0 HG22 THR A 86 20.267 -0.911 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 86 21.753 -1.450 -4.046 1.00 0.00 H new ATOM 1185 N ASN A 87 21.095 -2.352 -6.982 1.00 0.00 N ATOM 1186 CA ASN A 87 19.979 -3.099 -7.551 1.00 0.00 C ATOM 1187 C ASN A 87 19.142 -3.746 -6.452 1.00 0.00 C ATOM 1188 O ASN A 87 19.455 -4.840 -5.979 1.00 0.00 O ATOM 1189 CB ASN A 87 20.493 -4.172 -8.513 1.00 0.00 C ATOM 1190 CG ASN A 87 19.468 -4.542 -9.567 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.311 -4.128 -9.497 1.00 0.00 O ATOM 1192 ND2 ASN A 87 19.889 -5.327 -10.552 1.00 0.00 N ATOM 0 H ASN A 87 21.766 -2.923 -6.467 1.00 0.00 H new ATOM 0 HA ASN A 87 19.349 -2.400 -8.101 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.399 -3.814 -9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 87 20.766 -5.063 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.244 -5.610 -11.290 1.00 0.00 H new ATOM 0 HD22 ASN A 87 20.857 -5.647 -10.571 1.00 0.00 H new ATOM 1199 N CYS A 88 18.075 -3.064 -6.049 1.00 0.00 N ATOM 1200 CA CYS A 88 17.191 -3.570 -5.006 1.00 0.00 C ATOM 1201 C CYS A 88 16.270 -4.657 -5.554 1.00 0.00 C ATOM 1202 O CYS A 88 15.510 -5.274 -4.809 1.00 0.00 O ATOM 1203 CB CYS A 88 16.359 -2.430 -4.416 1.00 0.00 C ATOM 1204 SG CYS A 88 17.185 -1.527 -3.067 1.00 0.00 S ATOM 0 H CYS A 88 17.801 -2.158 -6.430 1.00 0.00 H new ATOM 0 HA CYS A 88 17.809 -4.004 -4.220 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.111 -1.727 -5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.418 -2.836 -4.044 1.00 0.00 H new