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 Single : A 1 ALA N :NH3+ -112:sc= 0.0694 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 71:sc= 0.0212 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= 0.0433 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0327 USER MOD Single : A 19 THR OG1 : rot -88:sc= 0.836 USER MOD Single : A 25 SER OG : rot 180:sc= 0.357 USER MOD Single : A 27 GLN : amide:sc= -0.0462 K(o=-0.046,f=-1) 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= -3.43! C(o=-3.4!,f=-3.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00763 USER MOD Single : A 46 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.7!) USER MOD Single : A 50 ASN : amide:sc= -1.19 X(o=-1.2,f=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= -0.0972 (180deg=-0.426) USER MOD Single : A 54 SER OG : rot 90:sc= 1.05 USER MOD Single : A 58 SER OG : rot -14:sc= 0.998 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 63 ASN : amide:sc= -0.694 K(o=-0.69,f=-3.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.2!) USER MOD Single : A 66 ASN : amide:sc= -1.55 K(o=-1.6,f=-2.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.3) 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 83 SER OG : rot -10:sc= 1.04 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 70:sc= -0.737 USER MOD Single : A 87 ASN : amide:sc= -0.021 K(o=-0.021,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.811 0.080 -0.236 1.00 0.00 N ATOM 2 CA ALA A 1 2.166 -0.105 -0.741 1.00 0.00 C ATOM 3 C ALA A 1 2.864 1.236 -0.942 1.00 0.00 C ATOM 4 O ALA A 1 2.214 2.277 -1.039 1.00 0.00 O ATOM 5 CB ALA A 1 2.141 -0.890 -2.044 1.00 0.00 C ATOM 0 H1 ALA A 1 0.753 -0.275 0.740 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.570 1.092 -0.251 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.142 -0.444 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 1 2.730 -0.671 0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.159 -1.021 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.689 -1.867 -1.872 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.556 -0.346 -2.786 1.00 0.00 H new ATOM 11 N ILE A 2 4.191 1.203 -1.003 1.00 0.00 N ATOM 12 CA ILE A 2 4.977 2.416 -1.193 1.00 0.00 C ATOM 13 C ILE A 2 4.930 2.880 -2.645 1.00 0.00 C ATOM 14 O ILE A 2 5.315 2.145 -3.554 1.00 0.00 O ATOM 15 CB ILE A 2 6.446 2.206 -0.780 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.533 1.835 0.702 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.261 3.458 -1.067 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.359 0.356 0.966 1.00 0.00 C ATOM 0 H ILE A 2 4.744 0.350 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 2 4.535 3.181 -0.555 1.00 0.00 H new ATOM 0 HB ILE A 2 6.859 1.385 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.500 2.154 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.770 2.386 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.297 3.294 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.221 3.682 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.850 4.296 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.432 0.166 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.381 0.035 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.138 -0.201 0.445 1.00 0.00 H new ATOM 30 N SER A 3 4.458 4.104 -2.854 1.00 0.00 N ATOM 31 CA SER A 3 4.359 4.666 -4.196 1.00 0.00 C ATOM 32 C SER A 3 5.586 5.511 -4.524 1.00 0.00 C ATOM 33 O SER A 3 6.459 5.090 -5.284 1.00 0.00 O ATOM 34 CB SER A 3 3.093 5.515 -4.324 1.00 0.00 C ATOM 35 OG SER A 3 3.025 6.141 -5.594 1.00 0.00 O ATOM 0 H SER A 3 4.138 4.726 -2.112 1.00 0.00 H new ATOM 0 HA SER A 3 4.308 3.840 -4.905 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.214 4.887 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.079 6.273 -3.540 1.00 0.00 H new ATOM 0 HG SER A 3 2.206 6.676 -5.651 1.00 0.00 H new ATOM 41 N CYS A 4 5.647 6.705 -3.944 1.00 0.00 N ATOM 42 CA CYS A 4 6.766 7.611 -4.172 1.00 0.00 C ATOM 43 C CYS A 4 6.638 8.862 -3.308 1.00 0.00 C ATOM 44 O CYS A 4 7.622 9.350 -2.755 1.00 0.00 O ATOM 45 CB CYS A 4 6.838 8.003 -5.649 1.00 0.00 C ATOM 46 SG CYS A 4 8.520 7.962 -6.348 1.00 0.00 S ATOM 0 H CYS A 4 4.933 7.068 -3.312 1.00 0.00 H new ATOM 0 HA CYS A 4 7.684 7.092 -3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.201 7.331 -6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.431 9.007 -5.768 1.00 0.00 H new ATOM 51 N GLY A 5 5.417 9.376 -3.197 1.00 0.00 N ATOM 52 CA GLY A 5 5.182 10.565 -2.399 1.00 0.00 C ATOM 53 C GLY A 5 5.675 10.414 -0.974 1.00 0.00 C ATOM 54 O GLY A 5 6.103 11.386 -0.352 1.00 0.00 O ATOM 0 H GLY A 5 4.586 8.990 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.680 11.415 -2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.115 10.787 -2.389 1.00 0.00 H new ATOM 58 N ALA A 6 5.615 9.192 -0.455 1.00 0.00 N ATOM 59 CA ALA A 6 6.060 8.917 0.905 1.00 0.00 C ATOM 60 C ALA A 6 7.582 8.936 1.000 1.00 0.00 C ATOM 61 O ALA A 6 8.146 9.341 2.016 1.00 0.00 O ATOM 62 CB ALA A 6 5.517 7.576 1.378 1.00 0.00 C ATOM 0 H ALA A 6 5.262 8.377 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 6 5.672 9.703 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.858 7.384 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.427 7.597 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.877 6.785 0.720 1.00 0.00 H new ATOM 68 N VAL A 7 8.242 8.494 -0.066 1.00 0.00 N ATOM 69 CA VAL A 7 9.699 8.461 -0.103 1.00 0.00 C ATOM 70 C VAL A 7 10.276 9.857 -0.306 1.00 0.00 C ATOM 71 O VAL A 7 11.207 10.264 0.390 1.00 0.00 O ATOM 72 CB VAL A 7 10.211 7.538 -1.226 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.716 7.346 -1.115 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.489 6.200 -1.185 1.00 0.00 C ATOM 0 H VAL A 7 7.791 8.154 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 7 10.031 8.070 0.859 1.00 0.00 H new ATOM 0 HB VAL A 7 10.000 8.009 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.059 6.691 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.213 8.312 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.955 6.896 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.863 5.560 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.667 5.720 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.419 6.360 -1.318 1.00 0.00 H new ATOM 84 N THR A 8 9.716 10.590 -1.263 1.00 0.00 N ATOM 85 CA THR A 8 10.174 11.942 -1.559 1.00 0.00 C ATOM 86 C THR A 8 9.918 12.878 -0.383 1.00 0.00 C ATOM 87 O THR A 8 10.593 13.896 -0.230 1.00 0.00 O ATOM 88 CB THR A 8 9.482 12.508 -2.812 1.00 0.00 C ATOM 89 OG1 THR A 8 9.653 11.610 -3.915 1.00 0.00 O ATOM 90 CG2 THR A 8 10.047 13.874 -3.172 1.00 0.00 C ATOM 0 H THR A 8 8.944 10.270 -1.847 1.00 0.00 H new ATOM 0 HA THR A 8 11.246 11.880 -1.744 1.00 0.00 H new ATOM 0 HB THR A 8 8.420 12.617 -2.594 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.117 10.803 -3.766 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.543 14.254 -4.061 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.889 14.563 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.115 13.785 -3.371 1.00 0.00 H new ATOM 98 N SER A 9 8.939 12.527 0.444 1.00 0.00 N ATOM 99 CA SER A 9 8.591 13.339 1.605 1.00 0.00 C ATOM 100 C SER A 9 9.742 13.378 2.605 1.00 0.00 C ATOM 101 O SER A 9 10.182 14.450 3.021 1.00 0.00 O ATOM 102 CB SER A 9 7.333 12.789 2.280 1.00 0.00 C ATOM 103 OG SER A 9 7.345 13.051 3.672 1.00 0.00 O ATOM 0 H SER A 9 8.373 11.686 0.332 1.00 0.00 H new ATOM 0 HA SER A 9 8.396 14.355 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.448 13.239 1.830 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.265 11.715 2.110 1.00 0.00 H new ATOM 0 HG SER A 9 6.530 12.691 4.080 1.00 0.00 H new ATOM 109 N ASP A 10 10.226 12.201 2.986 1.00 0.00 N ATOM 110 CA ASP A 10 11.327 12.099 3.937 1.00 0.00 C ATOM 111 C ASP A 10 12.653 12.458 3.273 1.00 0.00 C ATOM 112 O ASP A 10 13.628 12.791 3.949 1.00 0.00 O ATOM 113 CB ASP A 10 11.400 10.685 4.517 1.00 0.00 C ATOM 114 CG ASP A 10 10.027 10.080 4.738 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.164 10.766 5.325 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.817 8.921 4.325 1.00 0.00 O ATOM 0 H ASP A 10 9.873 11.304 2.651 1.00 0.00 H new ATOM 0 HA ASP A 10 11.142 12.806 4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.971 10.047 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.940 10.711 5.464 1.00 0.00 H new ATOM 121 N LEU A 11 12.683 12.388 1.947 1.00 0.00 N ATOM 122 CA LEU A 11 13.890 12.705 1.191 1.00 0.00 C ATOM 123 C LEU A 11 14.189 14.199 1.245 1.00 0.00 C ATOM 124 O LEU A 11 15.349 14.609 1.287 1.00 0.00 O ATOM 125 CB LEU A 11 13.737 12.255 -0.263 1.00 0.00 C ATOM 126 CG LEU A 11 13.972 10.769 -0.534 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.347 10.363 -1.860 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.460 10.453 -0.525 1.00 0.00 C ATOM 0 H LEU A 11 11.886 12.115 1.373 1.00 0.00 H new ATOM 0 HA LEU A 11 14.725 12.170 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.731 12.510 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.432 12.830 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 11 13.495 10.195 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.524 9.302 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.274 10.551 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.794 10.944 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.608 9.391 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.961 11.036 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.880 10.705 0.449 1.00 0.00 H new ATOM 140 N SER A 12 13.135 15.009 1.245 1.00 0.00 N ATOM 141 CA SER A 12 13.285 16.459 1.292 1.00 0.00 C ATOM 142 C SER A 12 14.149 16.878 2.477 1.00 0.00 C ATOM 143 O SER A 12 15.181 17.531 2.326 1.00 0.00 O ATOM 144 CB SER A 12 11.914 17.132 1.382 1.00 0.00 C ATOM 145 OG SER A 12 11.993 18.356 2.092 1.00 0.00 O ATOM 0 H SER A 12 12.168 14.686 1.213 1.00 0.00 H new ATOM 0 HA SER A 12 13.779 16.778 0.374 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.528 17.314 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.210 16.465 1.878 1.00 0.00 H new ATOM 0 HG SER A 12 11.105 18.767 2.135 1.00 0.00 H new ATOM 151 N PRO A 13 13.718 16.493 3.688 1.00 0.00 N ATOM 152 CA PRO A 13 14.437 16.816 4.924 1.00 0.00 C ATOM 153 C PRO A 13 15.754 16.058 5.044 1.00 0.00 C ATOM 154 O PRO A 13 16.669 16.490 5.746 1.00 0.00 O ATOM 155 CB PRO A 13 13.466 16.378 6.023 1.00 0.00 C ATOM 156 CG PRO A 13 12.626 15.323 5.390 1.00 0.00 C ATOM 157 CD PRO A 13 12.496 15.711 3.943 1.00 0.00 C ATOM 0 HA PRO A 13 14.711 17.870 4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.000 15.991 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.857 17.213 6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.090 14.342 5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.648 15.264 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.437 14.836 3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.597 16.301 3.764 1.00 0.00 H new ATOM 165 N CYS A 14 15.845 14.926 4.354 1.00 0.00 N ATOM 166 CA CYS A 14 17.051 14.107 4.383 1.00 0.00 C ATOM 167 C CYS A 14 18.083 14.624 3.385 1.00 0.00 C ATOM 168 O CYS A 14 19.260 14.267 3.452 1.00 0.00 O ATOM 169 CB CYS A 14 16.709 12.648 4.070 1.00 0.00 C ATOM 170 SG CYS A 14 16.010 11.730 5.479 1.00 0.00 S ATOM 0 H CYS A 14 15.097 14.555 3.768 1.00 0.00 H new ATOM 0 HA CYS A 14 17.478 14.167 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.998 12.622 3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.611 12.139 3.730 1.00 0.00 H new ATOM 175 N LEU A 15 17.635 15.467 2.462 1.00 0.00 N ATOM 176 CA LEU A 15 18.519 16.035 1.450 1.00 0.00 C ATOM 177 C LEU A 15 19.570 16.937 2.089 1.00 0.00 C ATOM 178 O LEU A 15 20.758 16.841 1.780 1.00 0.00 O ATOM 179 CB LEU A 15 17.709 16.826 0.422 1.00 0.00 C ATOM 180 CG LEU A 15 17.225 16.042 -0.799 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.449 16.948 -1.742 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.402 15.400 -1.521 1.00 0.00 C ATOM 0 H LEU A 15 16.664 15.773 2.393 1.00 0.00 H new ATOM 0 HA LEU A 15 19.029 15.213 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.840 17.251 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.317 17.661 0.075 1.00 0.00 H new ATOM 0 HG LEU A 15 16.558 15.251 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 15 16.113 16.373 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.585 17.360 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.093 17.761 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.039 14.846 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.094 16.175 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.916 14.718 -0.844 1.00 0.00 H new ATOM 194 N THR A 16 19.125 17.812 2.985 1.00 0.00 N ATOM 195 CA THR A 16 20.026 18.731 3.669 1.00 0.00 C ATOM 196 C THR A 16 21.215 17.990 4.270 1.00 0.00 C ATOM 197 O THR A 16 22.350 18.464 4.210 1.00 0.00 O ATOM 198 CB THR A 16 19.300 19.503 4.786 1.00 0.00 C ATOM 199 OG1 THR A 16 17.969 19.831 4.370 1.00 0.00 O ATOM 200 CG2 THR A 16 20.053 20.776 5.143 1.00 0.00 C ATOM 0 H THR A 16 18.145 17.904 3.254 1.00 0.00 H new ATOM 0 HA THR A 16 20.382 19.439 2.921 1.00 0.00 H new ATOM 0 HB THR A 16 19.258 18.865 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.514 20.320 5.087 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.521 21.304 5.934 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.055 20.521 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.123 21.416 4.263 1.00 0.00 H new ATOM 208 N TYR A 17 20.948 16.824 4.848 1.00 0.00 N ATOM 209 CA TYR A 17 21.997 16.017 5.461 1.00 0.00 C ATOM 210 C TYR A 17 22.715 15.170 4.415 1.00 0.00 C ATOM 211 O TYR A 17 23.920 14.936 4.509 1.00 0.00 O ATOM 212 CB TYR A 17 21.406 15.115 6.546 1.00 0.00 C ATOM 213 CG TYR A 17 22.450 14.448 7.413 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.547 15.158 7.884 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.338 13.108 7.762 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.504 14.553 8.676 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.289 12.494 8.555 1.00 0.00 C ATOM 218 CZ TYR A 17 24.370 13.221 9.009 1.00 0.00 C ATOM 219 OH TYR A 17 25.320 12.614 9.798 1.00 0.00 O ATOM 0 H TYR A 17 20.015 16.417 4.905 1.00 0.00 H new ATOM 0 HA TYR A 17 22.722 16.693 5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.745 15.707 7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.793 14.347 6.074 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.654 16.201 7.627 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.493 12.536 7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.352 15.119 9.032 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.186 11.451 8.818 1.00 0.00 H new ATOM 0 HH TYR A 17 25.076 11.675 9.940 1.00 0.00 H new ATOM 229 N LEU A 18 21.965 14.713 3.418 1.00 0.00 N ATOM 230 CA LEU A 18 22.528 13.892 2.351 1.00 0.00 C ATOM 231 C LEU A 18 23.442 14.719 1.452 1.00 0.00 C ATOM 232 O LEU A 18 24.165 14.177 0.616 1.00 0.00 O ATOM 233 CB LEU A 18 21.409 13.264 1.520 1.00 0.00 C ATOM 234 CG LEU A 18 20.877 11.919 2.018 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.735 11.438 1.137 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.993 10.886 2.060 1.00 0.00 C ATOM 0 H LEU A 18 20.966 14.897 3.326 1.00 0.00 H new ATOM 0 HA LEU A 18 23.120 13.100 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.577 13.967 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.770 13.134 0.500 1.00 0.00 H new ATOM 0 HG LEU A 18 20.496 12.053 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.369 10.480 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.926 12.168 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 18 20.090 11.321 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.596 9.936 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.405 10.755 1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.779 11.227 2.734 1.00 0.00 H new ATOM 248 N THR A 19 23.407 16.036 1.632 1.00 0.00 N ATOM 249 CA THR A 19 24.231 16.938 0.838 1.00 0.00 C ATOM 250 C THR A 19 25.537 17.263 1.555 1.00 0.00 C ATOM 251 O THR A 19 26.468 17.800 0.956 1.00 0.00 O ATOM 252 CB THR A 19 23.489 18.251 0.527 1.00 0.00 C ATOM 253 OG1 THR A 19 22.652 18.614 1.631 1.00 0.00 O ATOM 254 CG2 THR A 19 22.646 18.112 -0.731 1.00 0.00 C ATOM 0 H THR A 19 22.816 16.501 2.321 1.00 0.00 H new ATOM 0 HA THR A 19 24.451 16.424 -0.098 1.00 0.00 H new ATOM 0 HB THR A 19 24.232 19.032 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.772 18.197 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 19 22.132 19.052 -0.930 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.290 17.865 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.911 17.319 -0.591 1.00 0.00 H new ATOM 262 N GLY A 20 25.599 16.933 2.841 1.00 0.00 N ATOM 263 CA GLY A 20 26.796 17.197 3.618 1.00 0.00 C ATOM 264 C GLY A 20 26.563 18.220 4.712 1.00 0.00 C ATOM 265 O GLY A 20 27.475 18.547 5.470 1.00 0.00 O ATOM 0 H GLY A 20 24.842 16.487 3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.149 16.267 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.585 17.552 2.955 1.00 0.00 H new ATOM 269 N GLY A 21 25.337 18.729 4.793 1.00 0.00 N ATOM 270 CA GLY A 21 25.009 19.717 5.804 1.00 0.00 C ATOM 271 C GLY A 21 24.847 19.106 7.182 1.00 0.00 C ATOM 272 O GLY A 21 25.197 17.949 7.416 1.00 0.00 O ATOM 0 H GLY A 21 24.565 18.475 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.793 20.474 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 21 24.086 20.225 5.525 1.00 0.00 H new ATOM 276 N PRO A 22 24.307 19.894 8.123 1.00 0.00 N ATOM 277 CA PRO A 22 24.088 19.445 9.501 1.00 0.00 C ATOM 278 C PRO A 22 22.982 18.399 9.602 1.00 0.00 C ATOM 279 O PRO A 22 21.947 18.511 8.946 1.00 0.00 O ATOM 280 CB PRO A 22 23.680 20.727 10.231 1.00 0.00 C ATOM 281 CG PRO A 22 23.103 21.600 9.171 1.00 0.00 C ATOM 282 CD PRO A 22 23.866 21.284 7.914 1.00 0.00 C ATOM 0 HA PRO A 22 24.973 18.964 9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.951 20.521 11.015 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.538 21.200 10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 22 22.039 21.405 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 22 23.204 22.653 9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.238 21.377 7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.712 21.958 7.777 1.00 0.00 H new ATOM 290 N GLY A 23 23.209 17.382 10.428 1.00 0.00 N ATOM 291 CA GLY A 23 22.222 16.332 10.599 1.00 0.00 C ATOM 292 C GLY A 23 22.806 15.086 11.236 1.00 0.00 C ATOM 293 O GLY A 23 23.901 15.106 11.799 1.00 0.00 O ATOM 0 H GLY A 23 24.058 17.267 10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.404 16.703 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.797 16.075 9.629 1.00 0.00 H new ATOM 297 N PRO A 24 22.065 13.971 11.153 1.00 0.00 N ATOM 298 CA PRO A 24 20.761 13.936 10.486 1.00 0.00 C ATOM 299 C PRO A 24 19.694 14.705 11.258 1.00 0.00 C ATOM 300 O PRO A 24 19.605 14.603 12.481 1.00 0.00 O ATOM 301 CB PRO A 24 20.422 12.444 10.447 1.00 0.00 C ATOM 302 CG PRO A 24 21.180 11.854 11.586 1.00 0.00 C ATOM 303 CD PRO A 24 22.444 12.659 11.704 1.00 0.00 C ATOM 0 HA PRO A 24 20.794 14.405 9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.350 12.278 10.557 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.719 11.995 9.499 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.600 11.902 12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.403 10.803 11.404 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.775 12.738 12.740 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.262 12.208 11.142 1.00 0.00 H new ATOM 311 N SER A 25 18.885 15.473 10.535 1.00 0.00 N ATOM 312 CA SER A 25 17.826 16.262 11.153 1.00 0.00 C ATOM 313 C SER A 25 16.791 15.357 11.815 1.00 0.00 C ATOM 314 O SER A 25 16.715 14.158 11.547 1.00 0.00 O ATOM 315 CB SER A 25 17.148 17.152 10.109 1.00 0.00 C ATOM 316 OG SER A 25 16.007 16.516 9.561 1.00 0.00 O ATOM 0 H SER A 25 18.943 15.566 9.521 1.00 0.00 H new ATOM 0 HA SER A 25 18.277 16.892 11.920 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.857 18.097 10.567 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.855 17.387 9.313 1.00 0.00 H new ATOM 0 HG SER A 25 15.591 17.105 8.898 1.00 0.00 H new ATOM 322 N PRO A 26 15.974 15.945 12.702 1.00 0.00 N ATOM 323 CA PRO A 26 14.928 15.211 13.421 1.00 0.00 C ATOM 324 C PRO A 26 13.786 14.783 12.506 1.00 0.00 C ATOM 325 O PRO A 26 13.276 13.669 12.617 1.00 0.00 O ATOM 326 CB PRO A 26 14.432 16.225 14.456 1.00 0.00 C ATOM 327 CG PRO A 26 14.743 17.555 13.862 1.00 0.00 C ATOM 328 CD PRO A 26 16.008 17.370 13.071 1.00 0.00 C ATOM 0 HA PRO A 26 15.305 14.286 13.856 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.363 16.113 14.639 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.935 16.092 15.414 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.929 17.896 13.222 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.875 18.308 14.639 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.029 18.013 12.191 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.891 17.611 13.663 1.00 0.00 H new ATOM 336 N GLN A 27 13.392 15.674 11.602 1.00 0.00 N ATOM 337 CA GLN A 27 12.310 15.386 10.668 1.00 0.00 C ATOM 338 C GLN A 27 12.708 14.277 9.700 1.00 0.00 C ATOM 339 O GLN A 27 11.882 13.447 9.318 1.00 0.00 O ATOM 340 CB GLN A 27 11.932 16.648 9.889 1.00 0.00 C ATOM 341 CG GLN A 27 10.989 17.569 10.645 1.00 0.00 C ATOM 342 CD GLN A 27 10.934 18.963 10.051 1.00 0.00 C ATOM 343 OE1 GLN A 27 11.942 19.489 9.578 1.00 0.00 O ATOM 344 NE2 GLN A 27 9.753 19.570 10.072 1.00 0.00 N ATOM 0 H GLN A 27 13.805 16.600 11.497 1.00 0.00 H new ATOM 0 HA GLN A 27 11.447 15.049 11.242 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.840 17.197 9.640 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.466 16.358 8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.988 17.138 10.644 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.307 17.634 11.686 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.944 19.097 10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.655 20.509 9.686 1.00 0.00 H new ATOM 353 N CYS A 28 13.977 14.268 9.306 1.00 0.00 N ATOM 354 CA CYS A 28 14.485 13.262 8.382 1.00 0.00 C ATOM 355 C CYS A 28 14.430 11.871 9.008 1.00 0.00 C ATOM 356 O CYS A 28 13.899 10.931 8.415 1.00 0.00 O ATOM 357 CB CYS A 28 15.921 13.593 7.973 1.00 0.00 C ATOM 358 SG CYS A 28 16.809 12.209 7.189 1.00 0.00 S ATOM 0 H CYS A 28 14.673 14.947 9.613 1.00 0.00 H new ATOM 0 HA CYS A 28 13.852 13.267 7.495 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.906 14.438 7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.475 13.912 8.856 1.00 0.00 H new ATOM 363 N CYS A 29 14.982 11.748 10.210 1.00 0.00 N ATOM 364 CA CYS A 29 14.997 10.474 10.919 1.00 0.00 C ATOM 365 C CYS A 29 13.596 9.873 10.988 1.00 0.00 C ATOM 366 O CYS A 29 13.395 8.701 10.672 1.00 0.00 O ATOM 367 CB CYS A 29 15.555 10.658 12.331 1.00 0.00 C ATOM 368 SG CYS A 29 17.366 10.842 12.397 1.00 0.00 S ATOM 0 H CYS A 29 15.425 12.516 10.714 1.00 0.00 H new ATOM 0 HA CYS A 29 15.641 9.788 10.368 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.095 11.538 12.780 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.265 9.801 12.939 1.00 0.00 H new ATOM 373 N GLY A 30 12.629 10.686 11.403 1.00 0.00 N ATOM 374 CA GLY A 30 11.259 10.218 11.506 1.00 0.00 C ATOM 375 C GLY A 30 10.746 9.636 10.204 1.00 0.00 C ATOM 376 O GLY A 30 10.120 8.577 10.193 1.00 0.00 O ATOM 0 H GLY A 30 12.770 11.660 11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.194 9.462 12.289 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.617 11.046 11.808 1.00 0.00 H new ATOM 380 N GLY A 31 11.010 10.331 9.102 1.00 0.00 N ATOM 381 CA GLY A 31 10.562 9.862 7.804 1.00 0.00 C ATOM 382 C GLY A 31 11.287 8.608 7.358 1.00 0.00 C ATOM 383 O GLY A 31 10.682 7.704 6.781 1.00 0.00 O ATOM 0 H GLY A 31 11.526 11.211 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.491 9.664 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.714 10.648 7.065 1.00 0.00 H new ATOM 387 N VAL A 32 12.588 8.552 7.625 1.00 0.00 N ATOM 388 CA VAL A 32 13.397 7.399 7.247 1.00 0.00 C ATOM 389 C VAL A 32 12.820 6.111 7.823 1.00 0.00 C ATOM 390 O VAL A 32 12.524 5.167 7.089 1.00 0.00 O ATOM 391 CB VAL A 32 14.853 7.555 7.723 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.679 6.342 7.322 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.462 8.833 7.165 1.00 0.00 C ATOM 0 H VAL A 32 13.104 9.291 8.102 1.00 0.00 H new ATOM 0 HA VAL A 32 13.383 7.345 6.158 1.00 0.00 H new ATOM 0 HB VAL A 32 14.856 7.623 8.811 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.705 6.470 7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.253 5.446 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.671 6.239 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.491 8.927 7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.448 8.797 6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.884 9.691 7.508 1.00 0.00 H new ATOM 403 N LYS A 33 12.663 6.077 9.142 1.00 0.00 N ATOM 404 CA LYS A 33 12.120 4.905 9.819 1.00 0.00 C ATOM 405 C LYS A 33 10.738 4.556 9.277 1.00 0.00 C ATOM 406 O LYS A 33 10.301 3.408 9.354 1.00 0.00 O ATOM 407 CB LYS A 33 12.041 5.153 11.327 1.00 0.00 C ATOM 408 CG LYS A 33 13.370 4.982 12.042 1.00 0.00 C ATOM 409 CD LYS A 33 13.272 5.381 13.505 1.00 0.00 C ATOM 410 CE LYS A 33 13.737 4.259 14.421 1.00 0.00 C ATOM 411 NZ LYS A 33 12.594 3.457 14.939 1.00 0.00 N ATOM 0 H LYS A 33 12.904 6.848 9.764 1.00 0.00 H new ATOM 0 HA LYS A 33 12.788 4.065 9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.671 6.163 11.502 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.313 4.468 11.762 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.693 3.944 11.968 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.130 5.588 11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.876 6.271 13.682 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.241 5.643 13.743 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.422 3.607 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.294 4.680 15.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.952 2.703 15.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.953 4.074 15.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.077 3.034 14.142 1.00 0.00 H new ATOM 425 N LYS A 34 10.054 5.554 8.727 1.00 0.00 N ATOM 426 CA LYS A 34 8.722 5.352 8.169 1.00 0.00 C ATOM 427 C LYS A 34 8.792 4.576 6.858 1.00 0.00 C ATOM 428 O LYS A 34 7.968 3.698 6.599 1.00 0.00 O ATOM 429 CB LYS A 34 8.033 6.699 7.940 1.00 0.00 C ATOM 430 CG LYS A 34 6.518 6.605 7.874 1.00 0.00 C ATOM 431 CD LYS A 34 5.881 6.901 9.221 1.00 0.00 C ATOM 432 CE LYS A 34 4.394 6.581 9.217 1.00 0.00 C ATOM 433 NZ LYS A 34 3.759 6.882 10.529 1.00 0.00 N ATOM 0 H LYS A 34 10.400 6.511 8.656 1.00 0.00 H new ATOM 0 HA LYS A 34 8.141 4.770 8.884 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.311 7.381 8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.402 7.133 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.141 7.307 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.229 5.607 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.378 6.317 9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.027 7.952 9.471 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.901 7.157 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.250 5.528 8.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.746 6.650 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.213 6.314 11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.874 7.892 10.747 1.00 0.00 H new ATOM 447 N LEU A 35 9.782 4.903 6.035 1.00 0.00 N ATOM 448 CA LEU A 35 9.962 4.235 4.751 1.00 0.00 C ATOM 449 C LEU A 35 10.311 2.763 4.946 1.00 0.00 C ATOM 450 O LEU A 35 9.865 1.902 4.187 1.00 0.00 O ATOM 451 CB LEU A 35 11.059 4.929 3.942 1.00 0.00 C ATOM 452 CG LEU A 35 11.117 4.582 2.454 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.876 5.652 1.685 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.761 3.218 2.249 1.00 0.00 C ATOM 0 H LEU A 35 10.473 5.627 6.234 1.00 0.00 H new ATOM 0 HA LEU A 35 9.022 4.296 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.927 6.007 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.022 4.685 4.389 1.00 0.00 H new ATOM 0 HG LEU A 35 10.098 4.542 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.907 5.388 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.373 6.612 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.893 5.725 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.794 2.987 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.775 3.231 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.176 2.458 2.767 1.00 0.00 H new ATOM 466 N LEU A 36 11.110 2.482 5.969 1.00 0.00 N ATOM 467 CA LEU A 36 11.519 1.113 6.267 1.00 0.00 C ATOM 468 C LEU A 36 10.405 0.356 6.983 1.00 0.00 C ATOM 469 O LEU A 36 10.204 -0.836 6.754 1.00 0.00 O ATOM 470 CB LEU A 36 12.784 1.113 7.126 1.00 0.00 C ATOM 471 CG LEU A 36 14.105 1.288 6.375 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.125 2.002 7.248 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.642 -0.061 5.918 1.00 0.00 C ATOM 0 H LEU A 36 11.488 3.183 6.606 1.00 0.00 H new ATOM 0 HA LEU A 36 11.728 0.609 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.699 1.912 7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.824 0.174 7.678 1.00 0.00 H new ATOM 0 HG LEU A 36 13.920 1.901 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.058 2.117 6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.743 2.985 7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.306 1.416 8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.582 0.083 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 14.810 -0.699 6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.918 -0.535 5.255 1.00 0.00 H new ATOM 485 N ALA A 37 9.681 1.058 7.850 1.00 0.00 N ATOM 486 CA ALA A 37 8.585 0.454 8.596 1.00 0.00 C ATOM 487 C ALA A 37 7.366 0.241 7.704 1.00 0.00 C ATOM 488 O ALA A 37 6.517 -0.603 7.989 1.00 0.00 O ATOM 489 CB ALA A 37 8.221 1.319 9.793 1.00 0.00 C ATOM 0 H ALA A 37 9.835 2.046 8.052 1.00 0.00 H new ATOM 0 HA ALA A 37 8.916 -0.521 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.401 0.855 10.341 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.086 1.416 10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.915 2.307 9.448 1.00 0.00 H new ATOM 495 N ALA A 38 7.286 1.012 6.625 1.00 0.00 N ATOM 496 CA ALA A 38 6.172 0.906 5.691 1.00 0.00 C ATOM 497 C ALA A 38 6.419 -0.192 4.663 1.00 0.00 C ATOM 498 O ALA A 38 5.550 -0.501 3.849 1.00 0.00 O ATOM 499 CB ALA A 38 5.937 2.239 4.996 1.00 0.00 C ATOM 0 H ALA A 38 7.980 1.717 6.376 1.00 0.00 H new ATOM 0 HA ALA A 38 5.279 0.642 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.102 2.145 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.706 3.001 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.834 2.527 4.448 1.00 0.00 H new ATOM 505 N ALA A 39 7.611 -0.779 4.706 1.00 0.00 N ATOM 506 CA ALA A 39 7.972 -1.844 3.778 1.00 0.00 C ATOM 507 C ALA A 39 8.418 -3.096 4.527 1.00 0.00 C ATOM 508 O ALA A 39 9.517 -3.142 5.078 1.00 0.00 O ATOM 509 CB ALA A 39 9.068 -1.373 2.834 1.00 0.00 C ATOM 0 H ALA A 39 8.343 -0.535 5.373 1.00 0.00 H new ATOM 0 HA ALA A 39 7.088 -2.097 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.327 -2.178 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.714 -0.512 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.949 -1.091 3.411 1.00 0.00 H new ATOM 515 N ASN A 40 7.557 -4.108 4.542 1.00 0.00 N ATOM 516 CA ASN A 40 7.863 -5.361 5.224 1.00 0.00 C ATOM 517 C ASN A 40 8.198 -6.459 4.220 1.00 0.00 C ATOM 518 O ASN A 40 9.105 -7.262 4.441 1.00 0.00 O ATOM 519 CB ASN A 40 6.681 -5.793 6.095 1.00 0.00 C ATOM 520 CG ASN A 40 5.399 -5.940 5.298 1.00 0.00 C ATOM 521 OD1 ASN A 40 4.977 -7.052 4.979 1.00 0.00 O ATOM 522 ND2 ASN A 40 4.773 -4.815 4.972 1.00 0.00 N ATOM 0 H ASN A 40 6.643 -4.086 4.090 1.00 0.00 H new ATOM 0 HA ASN A 40 8.733 -5.197 5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 40 6.916 -6.742 6.578 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.531 -5.060 6.888 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.906 -4.851 4.436 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.159 -3.915 5.258 1.00 0.00 H new ATOM 529 N THR A 41 7.460 -6.489 3.115 1.00 0.00 N ATOM 530 CA THR A 41 7.677 -7.488 2.077 1.00 0.00 C ATOM 531 C THR A 41 8.751 -7.035 1.094 1.00 0.00 C ATOM 532 O THR A 41 9.399 -6.008 1.295 1.00 0.00 O ATOM 533 CB THR A 41 6.380 -7.785 1.302 1.00 0.00 C ATOM 534 OG1 THR A 41 6.033 -6.665 0.480 1.00 0.00 O ATOM 535 CG2 THR A 41 5.237 -8.093 2.258 1.00 0.00 C ATOM 0 H THR A 41 6.706 -5.832 2.916 1.00 0.00 H new ATOM 0 HA THR A 41 8.007 -8.398 2.579 1.00 0.00 H new ATOM 0 HB THR A 41 6.551 -8.658 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.208 -6.863 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.331 -8.300 1.688 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.492 -8.964 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.067 -7.236 2.910 1.00 0.00 H new ATOM 543 N THR A 42 8.934 -7.808 0.027 1.00 0.00 N ATOM 544 CA THR A 42 9.929 -7.486 -0.988 1.00 0.00 C ATOM 545 C THR A 42 9.402 -6.439 -1.962 1.00 0.00 C ATOM 546 O THR A 42 10.056 -5.434 -2.246 1.00 0.00 O ATOM 547 CB THR A 42 10.352 -8.739 -1.778 1.00 0.00 C ATOM 548 OG1 THR A 42 10.195 -9.907 -0.964 1.00 0.00 O ATOM 549 CG2 THR A 42 11.797 -8.626 -2.239 1.00 0.00 C ATOM 0 H THR A 42 8.406 -8.661 -0.156 1.00 0.00 H new ATOM 0 HA THR A 42 10.797 -7.086 -0.464 1.00 0.00 H new ATOM 0 HB THR A 42 9.713 -8.821 -2.657 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.464 -10.700 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.073 -9.522 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.907 -7.753 -2.882 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.449 -8.522 -1.371 1.00 0.00 H new ATOM 557 N PRO A 43 8.191 -6.675 -2.488 1.00 0.00 N ATOM 558 CA PRO A 43 7.549 -5.762 -3.439 1.00 0.00 C ATOM 559 C PRO A 43 7.596 -4.311 -2.971 1.00 0.00 C ATOM 560 O PRO A 43 7.821 -3.400 -3.767 1.00 0.00 O ATOM 561 CB PRO A 43 6.103 -6.261 -3.488 1.00 0.00 C ATOM 562 CG PRO A 43 6.187 -7.703 -3.121 1.00 0.00 C ATOM 563 CD PRO A 43 7.355 -7.852 -2.195 1.00 0.00 C ATOM 0 HA PRO A 43 8.049 -5.765 -4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.471 -5.711 -2.791 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.672 -6.130 -4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.267 -8.032 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.318 -8.320 -4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.039 -7.868 -1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.895 -8.781 -2.379 1.00 0.00 H new ATOM 571 N ASP A 44 7.382 -4.105 -1.676 1.00 0.00 N ATOM 572 CA ASP A 44 7.402 -2.764 -1.103 1.00 0.00 C ATOM 573 C ASP A 44 8.794 -2.149 -1.207 1.00 0.00 C ATOM 574 O ASP A 44 8.956 -1.036 -1.707 1.00 0.00 O ATOM 575 CB ASP A 44 6.957 -2.806 0.360 1.00 0.00 C ATOM 576 CG ASP A 44 5.460 -2.630 0.516 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.735 -2.793 -0.489 1.00 0.00 O ATOM 578 OD2 ASP A 44 5.012 -2.330 1.642 1.00 0.00 O ATOM 0 H ASP A 44 7.193 -4.849 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 44 6.708 -2.143 -1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.256 -3.757 0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.472 -2.022 0.916 1.00 0.00 H new ATOM 583 N ARG A 45 9.796 -2.881 -0.730 1.00 0.00 N ATOM 584 CA ARG A 45 11.174 -2.406 -0.767 1.00 0.00 C ATOM 585 C ARG A 45 11.606 -2.103 -2.199 1.00 0.00 C ATOM 586 O ARG A 45 12.498 -1.287 -2.428 1.00 0.00 O ATOM 587 CB ARG A 45 12.111 -3.445 -0.149 1.00 0.00 C ATOM 588 CG ARG A 45 12.321 -3.264 1.345 1.00 0.00 C ATOM 589 CD ARG A 45 11.622 -4.355 2.142 1.00 0.00 C ATOM 590 NE ARG A 45 12.312 -4.644 3.396 1.00 0.00 N ATOM 591 CZ ARG A 45 13.380 -5.429 3.484 1.00 0.00 C ATOM 592 NH1 ARG A 45 13.878 -6.000 2.396 1.00 0.00 N ATOM 593 NH2 ARG A 45 13.952 -5.644 4.662 1.00 0.00 N ATOM 0 H ARG A 45 9.679 -3.805 -0.314 1.00 0.00 H new ATOM 0 HA ARG A 45 11.230 -1.485 -0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.707 -4.441 -0.332 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.077 -3.395 -0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.388 -3.276 1.568 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.942 -2.289 1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.598 -4.049 2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.566 -5.263 1.542 1.00 0.00 H new ATOM 0 HE ARG A 45 11.954 -4.220 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.441 -5.837 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 45 14.698 -6.602 2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.572 -5.206 5.501 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.772 -6.247 4.728 1.00 0.00 H new ATOM 607 N GLN A 46 10.967 -2.766 -3.157 1.00 0.00 N ATOM 608 CA GLN A 46 11.286 -2.568 -4.566 1.00 0.00 C ATOM 609 C GLN A 46 10.829 -1.192 -5.040 1.00 0.00 C ATOM 610 O GLN A 46 11.600 -0.444 -5.640 1.00 0.00 O ATOM 611 CB GLN A 46 10.631 -3.657 -5.417 1.00 0.00 C ATOM 612 CG GLN A 46 11.509 -4.881 -5.619 1.00 0.00 C ATOM 613 CD GLN A 46 10.718 -6.174 -5.613 1.00 0.00 C ATOM 614 OE1 GLN A 46 10.420 -6.728 -4.554 1.00 0.00 O ATOM 615 NE2 GLN A 46 10.372 -6.663 -6.798 1.00 0.00 N ATOM 0 H GLN A 46 10.226 -3.445 -2.983 1.00 0.00 H new ATOM 0 HA GLN A 46 12.368 -2.630 -4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.698 -3.964 -4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.374 -3.240 -6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.041 -4.789 -6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.262 -4.917 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.640 -6.171 -7.651 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.838 -7.530 -6.856 1.00 0.00 H new ATOM 624 N ALA A 47 9.570 -0.865 -4.765 1.00 0.00 N ATOM 625 CA ALA A 47 9.011 0.421 -5.162 1.00 0.00 C ATOM 626 C ALA A 47 9.802 1.575 -4.554 1.00 0.00 C ATOM 627 O ALA A 47 10.318 2.432 -5.271 1.00 0.00 O ATOM 628 CB ALA A 47 7.548 0.509 -4.754 1.00 0.00 C ATOM 0 H ALA A 47 8.918 -1.473 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 47 9.080 0.500 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.143 1.475 -5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.986 -0.288 -5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.465 0.404 -3.672 1.00 0.00 H new ATOM 634 N ALA A 48 9.893 1.590 -3.228 1.00 0.00 N ATOM 635 CA ALA A 48 10.622 2.637 -2.525 1.00 0.00 C ATOM 636 C ALA A 48 12.030 2.799 -3.087 1.00 0.00 C ATOM 637 O ALA A 48 12.433 3.896 -3.475 1.00 0.00 O ATOM 638 CB ALA A 48 10.678 2.332 -1.035 1.00 0.00 C ATOM 0 H ALA A 48 9.471 0.889 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 48 10.090 3.577 -2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.226 3.123 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.665 2.275 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.184 1.379 -0.877 1.00 0.00 H new ATOM 644 N CYS A 49 12.776 1.699 -3.127 1.00 0.00 N ATOM 645 CA CYS A 49 14.140 1.719 -3.641 1.00 0.00 C ATOM 646 C CYS A 49 14.209 2.456 -4.975 1.00 0.00 C ATOM 647 O CYS A 49 15.068 3.312 -5.179 1.00 0.00 O ATOM 648 CB CYS A 49 14.665 0.291 -3.808 1.00 0.00 C ATOM 649 SG CYS A 49 15.484 -0.378 -2.324 1.00 0.00 S ATOM 0 H CYS A 49 12.458 0.783 -2.810 1.00 0.00 H new ATOM 0 HA CYS A 49 14.765 2.248 -2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.834 -0.361 -4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.369 0.269 -4.640 1.00 0.00 H new ATOM 654 N ASN A 50 13.296 2.117 -5.880 1.00 0.00 N ATOM 655 CA ASN A 50 13.253 2.746 -7.195 1.00 0.00 C ATOM 656 C ASN A 50 13.122 4.261 -7.069 1.00 0.00 C ATOM 657 O ASN A 50 13.744 5.014 -7.819 1.00 0.00 O ATOM 658 CB ASN A 50 12.087 2.188 -8.013 1.00 0.00 C ATOM 659 CG ASN A 50 12.153 0.680 -8.160 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.235 0.094 -8.170 1.00 0.00 O ATOM 661 ND2 ASN A 50 10.993 0.045 -8.276 1.00 0.00 N ATOM 0 H ASN A 50 12.576 1.411 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 50 14.188 2.521 -7.708 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.147 2.463 -7.535 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.088 2.647 -9.002 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.975 -0.970 -8.379 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.120 0.572 -8.263 1.00 0.00 H new ATOM 668 N CYS A 51 12.308 4.701 -6.115 1.00 0.00 N ATOM 669 CA CYS A 51 12.094 6.126 -5.889 1.00 0.00 C ATOM 670 C CYS A 51 13.298 6.752 -5.190 1.00 0.00 C ATOM 671 O CYS A 51 13.588 7.936 -5.372 1.00 0.00 O ATOM 672 CB CYS A 51 10.833 6.347 -5.052 1.00 0.00 C ATOM 673 SG CYS A 51 9.279 6.149 -5.983 1.00 0.00 S ATOM 0 H CYS A 51 11.786 4.091 -5.486 1.00 0.00 H new ATOM 0 HA CYS A 51 11.967 6.608 -6.859 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.836 5.646 -4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.864 7.350 -4.626 1.00 0.00 H new ATOM 678 N LEU A 52 13.994 5.952 -4.392 1.00 0.00 N ATOM 679 CA LEU A 52 15.166 6.427 -3.665 1.00 0.00 C ATOM 680 C LEU A 52 16.356 6.598 -4.604 1.00 0.00 C ATOM 681 O LEU A 52 16.924 7.685 -4.713 1.00 0.00 O ATOM 682 CB LEU A 52 15.525 5.452 -2.542 1.00 0.00 C ATOM 683 CG LEU A 52 14.869 5.719 -1.187 1.00 0.00 C ATOM 684 CD1 LEU A 52 15.191 4.601 -0.208 1.00 0.00 C ATOM 685 CD2 LEU A 52 15.320 7.062 -0.632 1.00 0.00 C ATOM 0 H LEU A 52 13.768 4.971 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 52 14.925 7.398 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.255 4.445 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.607 5.465 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 52 13.789 5.750 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.716 4.809 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.818 3.655 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.270 4.537 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.843 7.236 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.403 7.059 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.037 7.855 -1.324 1.00 0.00 H new ATOM 697 N LYS A 53 16.728 5.518 -5.283 1.00 0.00 N ATOM 698 CA LYS A 53 17.847 5.548 -6.217 1.00 0.00 C ATOM 699 C LYS A 53 17.708 6.708 -7.197 1.00 0.00 C ATOM 700 O LYS A 53 18.685 7.388 -7.512 1.00 0.00 O ATOM 701 CB LYS A 53 17.934 4.226 -6.984 1.00 0.00 C ATOM 702 CG LYS A 53 19.350 3.844 -7.377 1.00 0.00 C ATOM 703 CD LYS A 53 19.522 2.335 -7.446 1.00 0.00 C ATOM 704 CE LYS A 53 18.638 1.722 -8.521 1.00 0.00 C ATOM 705 NZ LYS A 53 18.804 2.408 -9.833 1.00 0.00 N ATOM 0 H LYS A 53 16.270 4.610 -5.204 1.00 0.00 H new ATOM 0 HA LYS A 53 18.763 5.689 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.509 3.431 -6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.323 4.296 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.591 4.283 -8.345 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.053 4.259 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 53 20.565 2.096 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.278 1.895 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.880 0.665 -8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.595 1.780 -8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.699 1.716 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.080 3.148 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.749 2.840 -9.882 1.00 0.00 H new ATOM 719 N SER A 54 16.487 6.931 -7.674 1.00 0.00 N ATOM 720 CA SER A 54 16.221 8.008 -8.620 1.00 0.00 C ATOM 721 C SER A 54 16.225 9.362 -7.916 1.00 0.00 C ATOM 722 O SER A 54 16.526 10.389 -8.524 1.00 0.00 O ATOM 723 CB SER A 54 14.876 7.785 -9.314 1.00 0.00 C ATOM 724 OG SER A 54 14.821 6.505 -9.919 1.00 0.00 O ATOM 0 H SER A 54 15.667 6.380 -7.421 1.00 0.00 H new ATOM 0 HA SER A 54 17.013 8.005 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.068 7.883 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.721 8.555 -10.070 1.00 0.00 H new ATOM 0 HG SER A 54 14.469 5.854 -9.276 1.00 0.00 H new ATOM 730 N ALA A 55 15.887 9.355 -6.631 1.00 0.00 N ATOM 731 CA ALA A 55 15.854 10.581 -5.843 1.00 0.00 C ATOM 732 C ALA A 55 17.263 11.072 -5.532 1.00 0.00 C ATOM 733 O ALA A 55 17.598 12.228 -5.789 1.00 0.00 O ATOM 734 CB ALA A 55 15.073 10.359 -4.556 1.00 0.00 C ATOM 0 H ALA A 55 15.632 8.514 -6.113 1.00 0.00 H new ATOM 0 HA ALA A 55 15.353 11.349 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.056 11.282 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.052 10.063 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.551 9.573 -3.971 1.00 0.00 H new ATOM 740 N ALA A 56 18.084 10.187 -4.976 1.00 0.00 N ATOM 741 CA ALA A 56 19.458 10.531 -4.630 1.00 0.00 C ATOM 742 C ALA A 56 20.277 10.838 -5.879 1.00 0.00 C ATOM 743 O ALA A 56 21.368 11.400 -5.795 1.00 0.00 O ATOM 744 CB ALA A 56 20.101 9.403 -3.838 1.00 0.00 C ATOM 0 H ALA A 56 17.821 9.226 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 56 19.438 11.428 -4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.127 9.674 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.535 9.233 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.103 8.493 -4.437 1.00 0.00 H new ATOM 750 N GLY A 57 19.744 10.463 -7.038 1.00 0.00 N ATOM 751 CA GLY A 57 20.441 10.705 -8.288 1.00 0.00 C ATOM 752 C GLY A 57 20.706 12.178 -8.528 1.00 0.00 C ATOM 753 O GLY A 57 21.551 12.538 -9.347 1.00 0.00 O ATOM 0 H GLY A 57 18.842 9.996 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.388 10.165 -8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.851 10.306 -9.113 1.00 0.00 H new ATOM 757 N SER A 58 19.981 13.032 -7.812 1.00 0.00 N ATOM 758 CA SER A 58 20.139 14.475 -7.955 1.00 0.00 C ATOM 759 C SER A 58 21.162 15.011 -6.959 1.00 0.00 C ATOM 760 O SER A 58 21.413 16.215 -6.898 1.00 0.00 O ATOM 761 CB SER A 58 18.795 15.178 -7.753 1.00 0.00 C ATOM 762 OG SER A 58 18.951 16.587 -7.757 1.00 0.00 O ATOM 0 H SER A 58 19.279 12.750 -7.128 1.00 0.00 H new ATOM 0 HA SER A 58 20.500 14.679 -8.963 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.104 14.883 -8.543 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.353 14.860 -6.808 1.00 0.00 H new ATOM 0 HG SER A 58 19.900 16.811 -7.659 1.00 0.00 H new ATOM 768 N ILE A 59 21.749 14.109 -6.180 1.00 0.00 N ATOM 769 CA ILE A 59 22.745 14.491 -5.187 1.00 0.00 C ATOM 770 C ILE A 59 24.130 14.608 -5.815 1.00 0.00 C ATOM 771 O ILE A 59 24.741 13.607 -6.190 1.00 0.00 O ATOM 772 CB ILE A 59 22.803 13.477 -4.029 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.411 13.280 -3.425 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.787 13.943 -2.966 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.389 12.314 -2.261 1.00 0.00 C ATOM 0 H ILE A 59 21.552 13.109 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 59 22.443 15.462 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 59 23.147 12.520 -4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 59 21.028 14.245 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.735 12.918 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.817 13.216 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.780 14.037 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.470 14.910 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.371 12.223 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.742 11.337 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 59 22.039 12.685 -1.468 1.00 0.00 H new ATOM 787 N THR A 60 24.622 15.838 -5.925 1.00 0.00 N ATOM 788 CA THR A 60 25.935 16.087 -6.506 1.00 0.00 C ATOM 789 C THR A 60 27.047 15.630 -5.569 1.00 0.00 C ATOM 790 O THR A 60 27.118 16.059 -4.417 1.00 0.00 O ATOM 791 CB THR A 60 26.132 17.581 -6.829 1.00 0.00 C ATOM 792 OG1 THR A 60 27.472 17.812 -7.278 1.00 0.00 O ATOM 793 CG2 THR A 60 25.846 18.441 -5.608 1.00 0.00 C ATOM 0 H THR A 60 24.130 16.678 -5.619 1.00 0.00 H new ATOM 0 HA THR A 60 25.985 15.513 -7.431 1.00 0.00 H new ATOM 0 HB THR A 60 25.432 17.855 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.589 18.763 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.992 19.491 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.816 18.285 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 60 26.525 18.164 -4.801 1.00 0.00 H new ATOM 801 N LYS A 61 27.914 14.757 -6.070 1.00 0.00 N ATOM 802 CA LYS A 61 29.025 14.242 -5.278 1.00 0.00 C ATOM 803 C LYS A 61 28.520 13.547 -4.018 1.00 0.00 C ATOM 804 O LYS A 61 28.967 13.846 -2.910 1.00 0.00 O ATOM 805 CB LYS A 61 29.978 15.379 -4.899 1.00 0.00 C ATOM 806 CG LYS A 61 30.958 15.744 -6.001 1.00 0.00 C ATOM 807 CD LYS A 61 32.332 16.071 -5.439 1.00 0.00 C ATOM 808 CE LYS A 61 33.354 15.009 -5.815 1.00 0.00 C ATOM 809 NZ LYS A 61 34.734 15.565 -5.878 1.00 0.00 N ATOM 0 H LYS A 61 27.869 14.391 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 61 29.562 13.512 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.393 16.261 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.536 15.092 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.040 14.916 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.578 16.601 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.659 17.041 -5.814 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.273 16.153 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.322 14.199 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.092 14.578 -6.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 35.401 14.810 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.772 16.320 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.995 15.953 -4.949 1.00 0.00 H new ATOM 823 N LEU A 62 27.587 12.618 -4.195 1.00 0.00 N ATOM 824 CA LEU A 62 27.021 11.879 -3.072 1.00 0.00 C ATOM 825 C LEU A 62 28.124 11.290 -2.197 1.00 0.00 C ATOM 826 O LEU A 62 29.129 10.790 -2.701 1.00 0.00 O ATOM 827 CB LEU A 62 26.107 10.763 -3.579 1.00 0.00 C ATOM 828 CG LEU A 62 25.567 9.803 -2.518 1.00 0.00 C ATOM 829 CD1 LEU A 62 24.238 10.302 -1.973 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.417 8.402 -3.093 1.00 0.00 C ATOM 0 H LEU A 62 27.207 12.359 -5.105 1.00 0.00 H new ATOM 0 HA LEU A 62 26.436 12.574 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 62 25.260 11.219 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.654 10.182 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 62 26.281 9.762 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.869 9.606 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.375 11.285 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.515 10.373 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 25.032 7.732 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.724 8.426 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.388 8.043 -3.434 1.00 0.00 H new ATOM 842 N ASN A 63 27.926 11.351 -0.884 1.00 0.00 N ATOM 843 CA ASN A 63 28.903 10.823 0.061 1.00 0.00 C ATOM 844 C ASN A 63 28.424 9.503 0.657 1.00 0.00 C ATOM 845 O ASN A 63 27.567 9.482 1.541 1.00 0.00 O ATOM 846 CB ASN A 63 29.162 11.835 1.178 1.00 0.00 C ATOM 847 CG ASN A 63 30.570 11.737 1.733 1.00 0.00 C ATOM 848 OD1 ASN A 63 31.051 10.647 2.046 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.239 12.877 1.857 1.00 0.00 N ATOM 0 H ASN A 63 27.098 11.761 -0.451 1.00 0.00 H new ATOM 0 HA ASN A 63 29.833 10.642 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.994 12.843 0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.445 11.674 1.983 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.191 12.873 2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.801 13.757 1.585 1.00 0.00 H new ATOM 856 N THR A 64 28.985 8.401 0.168 1.00 0.00 N ATOM 857 CA THR A 64 28.615 7.076 0.651 1.00 0.00 C ATOM 858 C THR A 64 28.737 6.990 2.168 1.00 0.00 C ATOM 859 O THR A 64 27.960 6.298 2.824 1.00 0.00 O ATOM 860 CB THR A 64 29.492 5.981 0.014 1.00 0.00 C ATOM 861 OG1 THR A 64 30.868 6.377 0.045 1.00 0.00 O ATOM 862 CG2 THR A 64 29.068 5.715 -1.422 1.00 0.00 C ATOM 0 H THR A 64 29.697 8.400 -0.562 1.00 0.00 H new ATOM 0 HA THR A 64 27.576 6.913 0.363 1.00 0.00 H new ATOM 0 HB THR A 64 29.365 5.064 0.589 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.420 5.675 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.702 4.938 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 64 28.029 5.386 -1.440 1.00 0.00 H new ATOM 0 HG23 THR A 64 29.169 6.629 -2.007 1.00 0.00 H new ATOM 870 N ASN A 65 29.716 7.700 2.719 1.00 0.00 N ATOM 871 CA ASN A 65 29.939 7.704 4.161 1.00 0.00 C ATOM 872 C ASN A 65 28.793 8.402 4.886 1.00 0.00 C ATOM 873 O ASN A 65 28.305 7.919 5.908 1.00 0.00 O ATOM 874 CB ASN A 65 31.263 8.395 4.491 1.00 0.00 C ATOM 875 CG ASN A 65 32.432 7.429 4.503 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.266 6.232 4.266 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.624 7.946 4.781 1.00 0.00 N ATOM 0 H ASN A 65 30.367 8.280 2.190 1.00 0.00 H new ATOM 0 HA ASN A 65 29.983 6.669 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.452 9.181 3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.185 8.878 5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 65 34.448 7.345 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 65 33.715 8.944 4.971 1.00 0.00 H new ATOM 884 N ASN A 66 28.367 9.541 4.350 1.00 0.00 N ATOM 885 CA ASN A 66 27.278 10.307 4.947 1.00 0.00 C ATOM 886 C ASN A 66 25.950 9.571 4.796 1.00 0.00 C ATOM 887 O ASN A 66 25.127 9.562 5.710 1.00 0.00 O ATOM 888 CB ASN A 66 27.185 11.690 4.299 1.00 0.00 C ATOM 889 CG ASN A 66 28.495 12.450 4.366 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.435 12.030 5.041 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.563 13.575 3.664 1.00 0.00 N ATOM 0 H ASN A 66 28.759 9.954 3.504 1.00 0.00 H new ATOM 0 HA ASN A 66 27.489 10.425 6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.885 11.580 3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.407 12.269 4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.419 14.129 3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.759 13.885 3.118 1.00 0.00 H new ATOM 898 N ALA A 67 25.750 8.955 3.635 1.00 0.00 N ATOM 899 CA ALA A 67 24.523 8.215 3.366 1.00 0.00 C ATOM 900 C ALA A 67 24.327 7.091 4.377 1.00 0.00 C ATOM 901 O ALA A 67 23.209 6.831 4.821 1.00 0.00 O ATOM 902 CB ALA A 67 24.545 7.656 1.950 1.00 0.00 C ATOM 0 H ALA A 67 26.421 8.954 2.867 1.00 0.00 H new ATOM 0 HA ALA A 67 23.684 8.904 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.623 7.106 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.630 8.476 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.397 6.986 1.837 1.00 0.00 H new ATOM 908 N ALA A 68 25.420 6.427 4.737 1.00 0.00 N ATOM 909 CA ALA A 68 25.368 5.331 5.697 1.00 0.00 C ATOM 910 C ALA A 68 25.223 5.857 7.121 1.00 0.00 C ATOM 911 O ALA A 68 24.676 5.178 7.990 1.00 0.00 O ATOM 912 CB ALA A 68 26.612 4.464 5.576 1.00 0.00 C ATOM 0 H ALA A 68 26.353 6.629 4.378 1.00 0.00 H new ATOM 0 HA ALA A 68 24.492 4.723 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.560 3.650 6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.672 4.052 4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.497 5.068 5.774 1.00 0.00 H new ATOM 918 N ALA A 69 25.717 7.068 7.354 1.00 0.00 N ATOM 919 CA ALA A 69 25.641 7.684 8.672 1.00 0.00 C ATOM 920 C ALA A 69 24.222 8.148 8.981 1.00 0.00 C ATOM 921 O ALA A 69 23.833 8.258 10.145 1.00 0.00 O ATOM 922 CB ALA A 69 26.612 8.852 8.766 1.00 0.00 C ATOM 0 H ALA A 69 26.175 7.642 6.646 1.00 0.00 H new ATOM 0 HA ALA A 69 25.919 6.934 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.544 9.303 9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.628 8.495 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.360 9.596 8.011 1.00 0.00 H new ATOM 928 N LEU A 70 23.452 8.420 7.933 1.00 0.00 N ATOM 929 CA LEU A 70 22.075 8.873 8.092 1.00 0.00 C ATOM 930 C LEU A 70 21.257 7.861 8.888 1.00 0.00 C ATOM 931 O LEU A 70 20.678 8.174 9.928 1.00 0.00 O ATOM 932 CB LEU A 70 21.431 9.102 6.723 1.00 0.00 C ATOM 933 CG LEU A 70 19.911 8.946 6.662 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.239 9.882 7.655 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.405 9.209 5.251 1.00 0.00 C ATOM 0 H LEU A 70 23.758 8.335 6.964 1.00 0.00 H new ATOM 0 HA LEU A 70 22.090 9.814 8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.687 10.107 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.877 8.405 6.013 1.00 0.00 H new ATOM 0 HG LEU A 70 19.658 7.921 6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.158 9.758 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.579 9.647 8.664 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.499 10.913 7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.321 9.094 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.669 10.224 4.953 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.862 8.498 4.562 1.00 0.00 H new ATOM 947 N PRO A 71 21.210 6.616 8.391 1.00 0.00 N ATOM 948 CA PRO A 71 20.469 5.531 9.042 1.00 0.00 C ATOM 949 C PRO A 71 21.116 5.089 10.349 1.00 0.00 C ATOM 950 O PRO A 71 20.429 4.808 11.330 1.00 0.00 O ATOM 951 CB PRO A 71 20.518 4.400 8.011 1.00 0.00 C ATOM 952 CG PRO A 71 21.741 4.674 7.206 1.00 0.00 C ATOM 953 CD PRO A 71 21.877 6.171 7.156 1.00 0.00 C ATOM 0 HA PRO A 71 19.458 5.834 9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.573 3.425 8.495 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.625 4.395 7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.619 4.217 7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.650 4.257 6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.922 6.479 7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.400 6.588 6.269 1.00 0.00 H new ATOM 961 N GLY A 72 22.445 5.031 10.356 1.00 0.00 N ATOM 962 CA GLY A 72 23.163 4.623 11.550 1.00 0.00 C ATOM 963 C GLY A 72 23.001 5.609 12.689 1.00 0.00 C ATOM 964 O GLY A 72 22.923 5.217 13.854 1.00 0.00 O ATOM 0 H GLY A 72 23.036 5.259 9.557 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.806 3.643 11.868 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.222 4.515 11.315 1.00 0.00 H new ATOM 968 N LYS A 73 22.953 6.894 12.356 1.00 0.00 N ATOM 969 CA LYS A 73 22.801 7.941 13.359 1.00 0.00 C ATOM 970 C LYS A 73 21.356 8.024 13.843 1.00 0.00 C ATOM 971 O LYS A 73 21.094 8.414 14.981 1.00 0.00 O ATOM 972 CB LYS A 73 23.237 9.292 12.788 1.00 0.00 C ATOM 973 CG LYS A 73 24.741 9.426 12.625 1.00 0.00 C ATOM 974 CD LYS A 73 25.302 10.527 13.510 1.00 0.00 C ATOM 975 CE LYS A 73 26.559 11.138 12.910 1.00 0.00 C ATOM 976 NZ LYS A 73 27.110 12.224 13.767 1.00 0.00 N ATOM 0 H LYS A 73 23.017 7.236 11.397 1.00 0.00 H new ATOM 0 HA LYS A 73 23.437 7.691 14.208 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.760 9.438 11.819 1.00 0.00 H new ATOM 0 HB3 LYS A 73 22.879 10.086 13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.221 8.479 12.873 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.977 9.640 11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 73 24.549 11.303 13.648 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.528 10.123 14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.313 10.362 12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 73 26.333 11.535 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 27.966 12.615 13.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.400 12.977 13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.349 11.840 14.703 1.00 0.00 H new ATOM 990 N CYS A 74 20.423 7.655 12.972 1.00 0.00 N ATOM 991 CA CYS A 74 19.005 7.687 13.310 1.00 0.00 C ATOM 992 C CYS A 74 18.596 6.423 14.059 1.00 0.00 C ATOM 993 O CYS A 74 17.429 6.242 14.403 1.00 0.00 O ATOM 994 CB CYS A 74 18.161 7.838 12.043 1.00 0.00 C ATOM 995 SG CYS A 74 18.258 9.488 11.277 1.00 0.00 S ATOM 0 H CYS A 74 20.624 7.330 12.026 1.00 0.00 H new ATOM 0 HA CYS A 74 18.831 8.545 13.959 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.481 7.092 11.315 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.120 7.622 12.285 1.00 0.00 H new ATOM 1000 N GLY A 75 19.567 5.549 14.309 1.00 0.00 N ATOM 1001 CA GLY A 75 19.288 4.313 15.016 1.00 0.00 C ATOM 1002 C GLY A 75 18.471 3.342 14.187 1.00 0.00 C ATOM 1003 O GLY A 75 17.986 2.332 14.698 1.00 0.00 O ATOM 0 H GLY A 75 20.541 5.675 14.034 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.228 3.841 15.301 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.752 4.539 15.938 1.00 0.00 H new ATOM 1007 N VAL A 76 18.316 3.648 12.903 1.00 0.00 N ATOM 1008 CA VAL A 76 17.551 2.796 12.000 1.00 0.00 C ATOM 1009 C VAL A 76 18.412 2.311 10.839 1.00 0.00 C ATOM 1010 O VAL A 76 18.932 3.112 10.063 1.00 0.00 O ATOM 1011 CB VAL A 76 16.320 3.533 11.440 1.00 0.00 C ATOM 1012 CG1 VAL A 76 16.736 4.835 10.773 1.00 0.00 C ATOM 1013 CG2 VAL A 76 15.564 2.643 10.465 1.00 0.00 C ATOM 0 H VAL A 76 18.710 4.480 12.464 1.00 0.00 H new ATOM 0 HA VAL A 76 17.217 1.938 12.583 1.00 0.00 H new ATOM 0 HB VAL A 76 15.654 3.773 12.268 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.854 5.342 10.383 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.230 5.476 11.503 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.423 4.621 9.954 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.697 3.180 10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.220 2.370 9.638 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.233 1.740 10.978 1.00 0.00 H new ATOM 1023 N ASN A 77 18.558 0.995 10.727 1.00 0.00 N ATOM 1024 CA ASN A 77 19.357 0.403 9.660 1.00 0.00 C ATOM 1025 C ASN A 77 18.471 -0.042 8.500 1.00 0.00 C ATOM 1026 O ASN A 77 17.281 -0.300 8.679 1.00 0.00 O ATOM 1027 CB ASN A 77 20.155 -0.788 10.193 1.00 0.00 C ATOM 1028 CG ASN A 77 19.320 -1.694 11.078 1.00 0.00 C ATOM 1029 OD1 ASN A 77 18.531 -2.503 10.589 1.00 0.00 O ATOM 1030 ND2 ASN A 77 19.491 -1.562 12.388 1.00 0.00 N ATOM 0 H ASN A 77 18.134 0.318 11.362 1.00 0.00 H new ATOM 0 HA ASN A 77 20.050 1.161 9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 77 20.546 -1.364 9.355 1.00 0.00 H new ATOM 0 HB3 ASN A 77 21.013 -0.423 10.758 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.957 -2.144 13.033 1.00 0.00 H new ATOM 0 HD22 ASN A 77 20.156 -0.878 12.749 1.00 0.00 H new ATOM 1037 N ILE A 78 19.060 -0.129 7.313 1.00 0.00 N ATOM 1038 CA ILE A 78 18.325 -0.544 6.124 1.00 0.00 C ATOM 1039 C ILE A 78 18.797 -1.909 5.635 1.00 0.00 C ATOM 1040 O ILE A 78 19.936 -2.319 5.864 1.00 0.00 O ATOM 1041 CB ILE A 78 18.477 0.479 4.983 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.942 0.892 4.829 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.602 1.696 5.243 1.00 0.00 C ATOM 1044 CD1 ILE A 78 20.327 2.080 5.682 1.00 0.00 C ATOM 0 H ILE A 78 20.044 0.082 7.148 1.00 0.00 H new ATOM 0 HA ILE A 78 17.274 -0.606 6.408 1.00 0.00 H new ATOM 0 HB ILE A 78 18.152 0.014 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.579 0.046 5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 78 20.137 1.128 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.720 2.410 4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.559 1.387 5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.899 2.164 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 78 21.379 2.317 5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.715 2.939 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 78 20.165 1.841 6.733 1.00 0.00 H new ATOM 1056 N PRO A 79 17.904 -2.630 4.942 1.00 0.00 N ATOM 1057 CA PRO A 79 18.207 -3.959 4.403 1.00 0.00 C ATOM 1058 C PRO A 79 19.203 -3.904 3.250 1.00 0.00 C ATOM 1059 O PRO A 79 19.975 -4.840 3.038 1.00 0.00 O ATOM 1060 CB PRO A 79 16.847 -4.461 3.911 1.00 0.00 C ATOM 1061 CG PRO A 79 16.067 -3.224 3.627 1.00 0.00 C ATOM 1062 CD PRO A 79 16.529 -2.204 4.631 1.00 0.00 C ATOM 0 HA PRO A 79 18.671 -4.605 5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 79 16.952 -5.077 3.018 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.355 -5.075 4.665 1.00 0.00 H new ATOM 0 HG2 PRO A 79 16.243 -2.877 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.997 -3.407 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 79 16.504 -1.195 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 79 15.898 -2.201 5.520 1.00 0.00 H new ATOM 1070 N TYR A 80 19.182 -2.802 2.508 1.00 0.00 N ATOM 1071 CA TYR A 80 20.082 -2.626 1.375 1.00 0.00 C ATOM 1072 C TYR A 80 20.884 -1.335 1.511 1.00 0.00 C ATOM 1073 O TYR A 80 20.805 -0.646 2.529 1.00 0.00 O ATOM 1074 CB TYR A 80 19.291 -2.612 0.065 1.00 0.00 C ATOM 1075 CG TYR A 80 18.248 -3.703 -0.024 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.578 -5.029 0.229 1.00 0.00 C ATOM 1077 CD2 TYR A 80 16.933 -3.408 -0.361 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.629 -6.029 0.147 1.00 0.00 C ATOM 1079 CE2 TYR A 80 15.977 -4.402 -0.444 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.330 -5.710 -0.189 1.00 0.00 C ATOM 1081 OH TYR A 80 15.381 -6.704 -0.270 1.00 0.00 O ATOM 0 H TYR A 80 18.551 -2.017 2.671 1.00 0.00 H new ATOM 0 HA TYR A 80 20.778 -3.465 1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 80 18.802 -1.644 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 80 19.985 -2.715 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 80 19.594 -5.282 0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 80 16.653 -2.384 -0.562 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.903 -7.055 0.345 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.959 -4.156 -0.707 1.00 0.00 H new ATOM 0 HH TYR A 80 14.517 -6.312 -0.516 1.00 0.00 H new ATOM 1091 N LYS A 81 21.656 -1.014 0.479 1.00 0.00 N ATOM 1092 CA LYS A 81 22.472 0.194 0.480 1.00 0.00 C ATOM 1093 C LYS A 81 21.750 1.339 -0.222 1.00 0.00 C ATOM 1094 O LYS A 81 20.650 1.162 -0.748 1.00 0.00 O ATOM 1095 CB LYS A 81 23.815 -0.072 -0.204 1.00 0.00 C ATOM 1096 CG LYS A 81 23.682 -0.688 -1.586 1.00 0.00 C ATOM 1097 CD LYS A 81 24.341 -2.056 -1.652 1.00 0.00 C ATOM 1098 CE LYS A 81 24.952 -2.314 -3.021 1.00 0.00 C ATOM 1099 NZ LYS A 81 25.916 -3.449 -2.993 1.00 0.00 N ATOM 0 H LYS A 81 21.734 -1.574 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 81 22.650 0.481 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 81 24.364 0.866 -0.285 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.408 -0.736 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 81 22.627 -0.778 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 81 24.136 -0.028 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 81 25.115 -2.126 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 81 23.604 -2.827 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 81 24.159 -2.528 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 81 25.460 -1.414 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 26.310 -3.593 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 26.686 -3.234 -2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 25.426 -4.314 -2.687 1.00 0.00 H new ATOM 1113 N ILE A 82 22.375 2.512 -0.228 1.00 0.00 N ATOM 1114 CA ILE A 82 21.792 3.684 -0.869 1.00 0.00 C ATOM 1115 C ILE A 82 22.809 4.385 -1.763 1.00 0.00 C ATOM 1116 O ILE A 82 23.597 5.208 -1.298 1.00 0.00 O ATOM 1117 CB ILE A 82 21.262 4.689 0.171 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.229 4.019 1.079 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.659 5.901 -0.523 1.00 0.00 C ATOM 1120 CD1 ILE A 82 20.837 3.323 2.276 1.00 0.00 C ATOM 0 H ILE A 82 23.285 2.676 0.204 1.00 0.00 H new ATOM 0 HA ILE A 82 20.960 3.329 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 82 22.096 5.026 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.521 4.771 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 82 19.662 3.293 0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.289 6.602 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.421 6.388 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.835 5.582 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.046 2.871 2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.523 2.547 1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.381 4.048 2.881 1.00 0.00 H new ATOM 1132 N SER A 83 22.785 4.053 -3.050 1.00 0.00 N ATOM 1133 CA SER A 83 23.706 4.649 -4.011 1.00 0.00 C ATOM 1134 C SER A 83 23.196 4.469 -5.437 1.00 0.00 C ATOM 1135 O SER A 83 22.090 3.972 -5.656 1.00 0.00 O ATOM 1136 CB SER A 83 25.096 4.024 -3.872 1.00 0.00 C ATOM 1137 OG SER A 83 25.659 4.309 -2.603 1.00 0.00 O ATOM 0 H SER A 83 22.138 3.374 -3.451 1.00 0.00 H new ATOM 0 HA SER A 83 23.772 5.716 -3.800 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.028 2.945 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.749 4.405 -4.657 1.00 0.00 H new ATOM 0 HG SER A 83 25.108 4.976 -2.143 1.00 0.00 H new ATOM 1143 N THR A 84 24.009 4.877 -6.406 1.00 0.00 N ATOM 1144 CA THR A 84 23.641 4.763 -7.812 1.00 0.00 C ATOM 1145 C THR A 84 23.877 3.349 -8.329 1.00 0.00 C ATOM 1146 O THR A 84 23.622 3.052 -9.497 1.00 0.00 O ATOM 1147 CB THR A 84 24.435 5.755 -8.683 1.00 0.00 C ATOM 1148 OG1 THR A 84 25.771 5.884 -8.184 1.00 0.00 O ATOM 1149 CG2 THR A 84 23.761 7.119 -8.700 1.00 0.00 C ATOM 0 H THR A 84 24.927 5.290 -6.243 1.00 0.00 H new ATOM 0 HA THR A 84 22.579 5.000 -7.881 1.00 0.00 H new ATOM 0 HB THR A 84 24.464 5.368 -9.702 1.00 0.00 H new ATOM 0 HG1 THR A 84 26.270 6.515 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 84 24.339 7.803 -9.321 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.754 7.022 -9.107 1.00 0.00 H new ATOM 0 HG23 THR A 84 23.706 7.510 -7.684 1.00 0.00 H new ATOM 1157 N THR A 85 24.367 2.477 -7.452 1.00 0.00 N ATOM 1158 CA THR A 85 24.638 1.093 -7.821 1.00 0.00 C ATOM 1159 C THR A 85 23.945 0.125 -6.869 1.00 0.00 C ATOM 1160 O THR A 85 24.526 -0.878 -6.454 1.00 0.00 O ATOM 1161 CB THR A 85 26.150 0.798 -7.824 1.00 0.00 C ATOM 1162 OG1 THR A 85 26.699 1.046 -6.525 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.866 1.657 -8.855 1.00 0.00 C ATOM 0 H THR A 85 24.584 2.705 -6.482 1.00 0.00 H new ATOM 0 HA THR A 85 24.246 0.952 -8.828 1.00 0.00 H new ATOM 0 HB THR A 85 26.294 -0.251 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 85 27.660 0.855 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.932 1.432 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.465 1.446 -9.846 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.714 2.710 -8.619 1.00 0.00 H new ATOM 1171 N THR A 86 22.697 0.430 -6.526 1.00 0.00 N ATOM 1172 CA THR A 86 21.924 -0.413 -5.623 1.00 0.00 C ATOM 1173 C THR A 86 20.800 -1.127 -6.364 1.00 0.00 C ATOM 1174 O THR A 86 19.923 -0.488 -6.945 1.00 0.00 O ATOM 1175 CB THR A 86 21.322 0.407 -4.467 1.00 0.00 C ATOM 1176 OG1 THR A 86 22.366 0.903 -3.621 1.00 0.00 O ATOM 1177 CG2 THR A 86 20.358 -0.439 -3.648 1.00 0.00 C ATOM 0 H THR A 86 22.200 1.256 -6.861 1.00 0.00 H new ATOM 0 HA THR A 86 22.612 -1.153 -5.214 1.00 0.00 H new ATOM 0 HB THR A 86 20.772 1.246 -4.894 1.00 0.00 H new ATOM 0 HG1 THR A 86 22.871 1.595 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 86 19.945 0.162 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 86 19.548 -0.790 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 86 20.889 -1.295 -3.232 1.00 0.00 H new ATOM 1185 N ASN A 87 20.831 -2.455 -6.340 1.00 0.00 N ATOM 1186 CA ASN A 87 19.814 -3.257 -7.010 1.00 0.00 C ATOM 1187 C ASN A 87 18.944 -3.992 -5.995 1.00 0.00 C ATOM 1188 O ASN A 87 19.289 -5.082 -5.539 1.00 0.00 O ATOM 1189 CB ASN A 87 20.469 -4.262 -7.959 1.00 0.00 C ATOM 1190 CG ASN A 87 19.601 -4.571 -9.163 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.390 -4.352 -9.142 1.00 0.00 O ATOM 1192 ND2 ASN A 87 20.218 -5.084 -10.222 1.00 0.00 N ATOM 0 H ASN A 87 21.550 -2.999 -5.863 1.00 0.00 H new ATOM 0 HA ASN A 87 19.179 -2.584 -7.586 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.427 -3.867 -8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 87 20.678 -5.185 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.685 -5.313 -11.061 1.00 0.00 H new ATOM 0 HD22 ASN A 87 21.224 -5.249 -10.196 1.00 0.00 H new ATOM 1199 N CYS A 88 17.813 -3.387 -5.645 1.00 0.00 N ATOM 1200 CA CYS A 88 16.893 -3.983 -4.684 1.00 0.00 C ATOM 1201 C CYS A 88 16.014 -5.035 -5.353 1.00 0.00 C ATOM 1202 O CYS A 88 15.788 -6.112 -4.801 1.00 0.00 O ATOM 1203 CB CYS A 88 16.018 -2.902 -4.047 1.00 0.00 C ATOM 1204 SG CYS A 88 16.956 -1.574 -3.225 1.00 0.00 S ATOM 0 H CYS A 88 17.512 -2.484 -6.013 1.00 0.00 H new ATOM 0 HA CYS A 88 17.483 -4.469 -3.907 1.00 0.00 H new ATOM 0 HB2 CYS A 88 15.385 -2.462 -4.817 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.355 -3.369 -3.318 1.00 0.00 H new