USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 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 37 CYS SG : rot -112:sc= -10.1! USER MOD Set 1.2: A 47 CYS SG : rot -93:sc= -14.9! USER MOD Set 2.1: A 27 GLN : amide:sc= -8.82! C(o=-24!,f=-18!) USER MOD Set 2.2: A 32 TYR OH : rot -30:sc= 0.229 USER MOD Set 2.3: A 103 ASN : amide:sc= -15.2! C(o=-24!,f=-21!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 8 THR OG1 : rot -123:sc= -6.27! USER MOD Single : A 10 SER OG : rot 65:sc= -1.42! USER MOD Single : A 11 SER OG : rot 40:sc= 0.529 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0994 USER MOD Single : A 36 GLN : amide:sc= -18.1! C(o=-18!,f=-17!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -5.47! C(o=-5.5!,f=-22!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.447 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -4:sc= 0.661! USER MOD Single : A 65 THR OG1 : rot 54:sc= -0.552 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= -0.698 USER MOD Single : A 72 SER OG : rot 180:sc= -0.386 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.4!) USER MOD Single : A 98 SER OG : rot 180:sc= -8.32! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -4.28! C(o=-4.3!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.505 13.698 -7.144 1.00 0.00 N ATOM 2 CA ALA A 1 1.617 14.183 -6.351 1.00 0.00 C ATOM 3 C ALA A 1 2.046 13.113 -5.357 1.00 0.00 C ATOM 4 O ALA A 1 1.277 12.739 -4.474 1.00 0.00 O ATOM 5 CB ALA A 1 1.203 15.460 -5.625 1.00 0.00 C ATOM 0 H1 ALA A 1 0.215 14.432 -7.821 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.794 12.844 -7.662 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.294 13.470 -6.519 1.00 0.00 H new ATOM 0 HA ALA A 1 2.463 14.407 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.038 15.826 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.919 16.218 -6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.356 15.249 -4.973 1.00 0.00 H new ATOM 11 N ALA A 2 3.278 12.621 -5.502 1.00 0.00 N ATOM 12 CA ALA A 2 3.802 11.598 -4.620 1.00 0.00 C ATOM 13 C ALA A 2 5.078 12.094 -3.956 1.00 0.00 C ATOM 14 O ALA A 2 6.017 12.502 -4.636 1.00 0.00 O ATOM 15 CB ALA A 2 4.068 10.325 -5.420 1.00 0.00 C ATOM 0 H ALA A 2 3.928 12.922 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 2 3.073 11.376 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.462 9.555 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.138 9.976 -5.869 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.794 10.534 -6.206 1.00 0.00 H new ATOM 21 N PRO A 3 5.111 12.059 -2.621 1.00 0.00 N ATOM 22 CA PRO A 3 6.238 12.488 -1.821 1.00 0.00 C ATOM 23 C PRO A 3 7.367 11.476 -1.946 1.00 0.00 C ATOM 24 O PRO A 3 7.249 10.499 -2.683 1.00 0.00 O ATOM 25 CB PRO A 3 5.705 12.540 -0.391 1.00 0.00 C ATOM 26 CG PRO A 3 4.626 11.458 -0.392 1.00 0.00 C ATOM 27 CD PRO A 3 4.025 11.586 -1.790 1.00 0.00 C ATOM 0 HA PRO A 3 6.639 13.452 -2.134 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.486 12.331 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.295 13.520 -0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.046 10.467 -0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.882 11.627 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.644 10.629 -2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.188 12.285 -1.798 1.00 0.00 H new ATOM 35 N THR A 4 8.466 11.711 -1.225 1.00 0.00 N ATOM 36 CA THR A 4 9.607 10.819 -1.263 1.00 0.00 C ATOM 37 C THR A 4 9.616 9.937 -0.023 1.00 0.00 C ATOM 38 O THR A 4 9.830 10.422 1.086 1.00 0.00 O ATOM 39 CB THR A 4 10.890 11.640 -1.352 1.00 0.00 C ATOM 40 OG1 THR A 4 11.815 10.978 -2.186 1.00 0.00 O ATOM 41 CG2 THR A 4 11.489 11.801 0.043 1.00 0.00 C ATOM 0 H THR A 4 8.581 12.516 -0.609 1.00 0.00 H new ATOM 0 HA THR A 4 9.541 10.176 -2.140 1.00 0.00 H new ATOM 0 HB THR A 4 10.664 12.622 -1.767 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.639 11.506 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.406 12.387 -0.020 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.775 12.312 0.689 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.715 10.819 0.458 1.00 0.00 H new ATOM 49 N ALA A 5 9.383 8.636 -0.214 1.00 0.00 N ATOM 50 CA ALA A 5 9.365 7.693 0.887 1.00 0.00 C ATOM 51 C ALA A 5 10.307 6.536 0.589 1.00 0.00 C ATOM 52 O ALA A 5 10.664 6.304 -0.564 1.00 0.00 O ATOM 53 CB ALA A 5 7.940 7.190 1.100 1.00 0.00 C ATOM 0 H ALA A 5 9.205 8.219 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 5 9.703 8.185 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.924 6.481 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.288 8.032 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.589 6.697 0.193 1.00 0.00 H new ATOM 59 N THR A 6 10.710 5.807 1.633 1.00 0.00 N ATOM 60 CA THR A 6 11.607 4.680 1.474 1.00 0.00 C ATOM 61 C THR A 6 10.939 3.410 1.981 1.00 0.00 C ATOM 62 O THR A 6 10.684 3.274 3.175 1.00 0.00 O ATOM 63 CB THR A 6 12.902 4.950 2.234 1.00 0.00 C ATOM 64 OG1 THR A 6 12.613 5.664 3.415 1.00 0.00 O ATOM 65 CG2 THR A 6 13.844 5.774 1.360 1.00 0.00 C ATOM 0 H THR A 6 10.424 5.985 2.596 1.00 0.00 H new ATOM 0 HA THR A 6 11.842 4.545 0.418 1.00 0.00 H new ATOM 0 HB THR A 6 13.378 4.003 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.444 5.837 3.905 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.769 5.967 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.068 5.223 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.369 6.721 1.105 1.00 0.00 H new ATOM 73 N VAL A 7 10.657 2.478 1.067 1.00 0.00 N ATOM 74 CA VAL A 7 10.021 1.226 1.424 1.00 0.00 C ATOM 75 C VAL A 7 11.047 0.102 1.393 1.00 0.00 C ATOM 76 O VAL A 7 11.985 0.137 0.600 1.00 0.00 O ATOM 77 CB VAL A 7 8.878 0.942 0.453 1.00 0.00 C ATOM 78 CG1 VAL A 7 9.239 -0.253 -0.424 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.609 0.630 1.241 1.00 0.00 C ATOM 0 H VAL A 7 10.864 2.576 0.073 1.00 0.00 H new ATOM 0 HA VAL A 7 9.614 1.293 2.433 1.00 0.00 H new ATOM 0 HB VAL A 7 8.710 1.816 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.423 -0.455 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.146 -0.031 -0.986 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.407 -1.128 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.792 0.427 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.777 -0.244 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.350 1.484 1.867 1.00 0.00 H new ATOM 89 N THR A 8 10.866 -0.899 2.258 1.00 0.00 N ATOM 90 CA THR A 8 11.776 -2.024 2.321 1.00 0.00 C ATOM 91 C THR A 8 11.662 -2.855 1.051 1.00 0.00 C ATOM 92 O THR A 8 10.850 -2.553 0.179 1.00 0.00 O ATOM 93 CB THR A 8 11.453 -2.869 3.551 1.00 0.00 C ATOM 94 OG1 THR A 8 12.652 -3.348 4.119 1.00 0.00 O ATOM 95 CG2 THR A 8 10.577 -4.050 3.141 1.00 0.00 C ATOM 0 H THR A 8 10.093 -0.945 2.922 1.00 0.00 H new ATOM 0 HA THR A 8 12.801 -1.662 2.402 1.00 0.00 H new ATOM 0 HB THR A 8 10.922 -2.259 4.282 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.624 -4.327 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.346 -4.654 4.019 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.651 -3.680 2.701 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.108 -4.660 2.410 1.00 0.00 H new ATOM 103 N PRO A 9 12.479 -3.905 0.949 1.00 0.00 N ATOM 104 CA PRO A 9 12.511 -4.808 -0.182 1.00 0.00 C ATOM 105 C PRO A 9 11.269 -5.687 -0.169 1.00 0.00 C ATOM 106 O PRO A 9 11.075 -6.478 0.751 1.00 0.00 O ATOM 107 CB PRO A 9 13.775 -5.642 0.019 1.00 0.00 C ATOM 108 CG PRO A 9 13.917 -5.681 1.540 1.00 0.00 C ATOM 109 CD PRO A 9 13.446 -4.289 1.955 1.00 0.00 C ATOM 0 HA PRO A 9 12.522 -4.288 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.671 -6.642 -0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.642 -5.183 -0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.304 -6.465 1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.946 -5.869 1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.997 -4.304 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.278 -3.586 1.992 1.00 0.00 H new ATOM 117 N SER A 10 10.425 -5.545 -1.194 1.00 0.00 N ATOM 118 CA SER A 10 9.208 -6.325 -1.294 1.00 0.00 C ATOM 119 C SER A 10 9.297 -7.271 -2.482 1.00 0.00 C ATOM 120 O SER A 10 8.323 -7.452 -3.210 1.00 0.00 O ATOM 121 CB SER A 10 8.014 -5.386 -1.438 1.00 0.00 C ATOM 122 OG SER A 10 7.948 -4.910 -2.764 1.00 0.00 O ATOM 0 H SER A 10 10.571 -4.893 -1.964 1.00 0.00 H new ATOM 0 HA SER A 10 9.078 -6.921 -0.391 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.093 -5.910 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.109 -4.550 -0.745 1.00 0.00 H new ATOM 0 HG SER A 10 7.773 -5.658 -3.372 1.00 0.00 H new ATOM 128 N SER A 11 10.470 -7.878 -2.678 1.00 0.00 N ATOM 129 CA SER A 11 10.678 -8.802 -3.774 1.00 0.00 C ATOM 130 C SER A 11 11.071 -10.169 -3.230 1.00 0.00 C ATOM 131 O SER A 11 12.195 -10.356 -2.769 1.00 0.00 O ATOM 132 CB SER A 11 11.762 -8.257 -4.700 1.00 0.00 C ATOM 133 OG SER A 11 12.909 -7.938 -3.944 1.00 0.00 O ATOM 0 H SER A 11 11.288 -7.739 -2.084 1.00 0.00 H new ATOM 0 HA SER A 11 9.754 -8.911 -4.342 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.010 -8.996 -5.462 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.399 -7.371 -5.221 1.00 0.00 H new ATOM 0 HG SER A 11 13.051 -8.625 -3.260 1.00 0.00 H new ATOM 139 N GLY A 12 10.142 -11.125 -3.283 1.00 0.00 N ATOM 140 CA GLY A 12 10.400 -12.466 -2.796 1.00 0.00 C ATOM 141 C GLY A 12 9.998 -12.581 -1.332 1.00 0.00 C ATOM 142 O GLY A 12 10.590 -13.356 -0.583 1.00 0.00 O ATOM 0 H GLY A 12 9.205 -10.987 -3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.844 -13.190 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.457 -12.705 -2.910 1.00 0.00 H new ATOM 146 N LEU A 13 8.989 -11.808 -0.926 1.00 0.00 N ATOM 147 CA LEU A 13 8.514 -11.826 0.443 1.00 0.00 C ATOM 148 C LEU A 13 7.240 -12.655 0.536 1.00 0.00 C ATOM 149 O LEU A 13 6.324 -12.481 -0.264 1.00 0.00 O ATOM 150 CB LEU A 13 8.264 -10.396 0.913 1.00 0.00 C ATOM 151 CG LEU A 13 9.384 -9.492 0.407 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.657 -8.396 1.434 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.649 -10.318 0.196 1.00 0.00 C ATOM 0 H LEU A 13 8.488 -11.161 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 13 9.267 -12.280 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.302 -10.043 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.218 -10.362 2.002 1.00 0.00 H new ATOM 0 HG LEU A 13 9.085 -9.038 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.457 -7.750 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.754 -7.805 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.956 -8.849 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.449 -9.672 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.948 -10.773 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.455 -11.100 -0.538 1.00 0.00 H new ATOM 165 N SER A 14 7.184 -13.558 1.518 1.00 0.00 N ATOM 166 CA SER A 14 6.025 -14.405 1.710 1.00 0.00 C ATOM 167 C SER A 14 5.219 -13.914 2.905 1.00 0.00 C ATOM 168 O SER A 14 5.679 -13.058 3.658 1.00 0.00 O ATOM 169 CB SER A 14 6.479 -15.847 1.920 1.00 0.00 C ATOM 170 OG SER A 14 7.351 -16.221 0.878 1.00 0.00 O ATOM 0 H SER A 14 7.935 -13.715 2.190 1.00 0.00 H new ATOM 0 HA SER A 14 5.389 -14.363 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.982 -15.945 2.882 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.616 -16.512 1.942 1.00 0.00 H new ATOM 0 HG SER A 14 7.644 -17.146 1.013 1.00 0.00 H new ATOM 176 N ASP A 15 4.012 -14.459 3.077 1.00 0.00 N ATOM 177 CA ASP A 15 3.150 -14.075 4.177 1.00 0.00 C ATOM 178 C ASP A 15 3.936 -14.097 5.479 1.00 0.00 C ATOM 179 O ASP A 15 4.751 -14.991 5.700 1.00 0.00 O ATOM 180 CB ASP A 15 1.961 -15.028 4.246 1.00 0.00 C ATOM 181 CG ASP A 15 2.401 -16.415 4.695 1.00 0.00 C ATOM 182 OD1 ASP A 15 3.282 -16.979 4.011 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.848 -16.884 5.713 1.00 0.00 O ATOM 0 H ASP A 15 3.616 -15.169 2.461 1.00 0.00 H new ATOM 0 HA ASP A 15 2.778 -13.063 4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.216 -14.637 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.484 -15.092 3.268 1.00 0.00 H new ATOM 188 N GLY A 16 3.692 -13.110 6.345 1.00 0.00 N ATOM 189 CA GLY A 16 4.380 -13.026 7.617 1.00 0.00 C ATOM 190 C GLY A 16 5.467 -11.962 7.560 1.00 0.00 C ATOM 191 O GLY A 16 5.883 -11.439 8.592 1.00 0.00 O ATOM 0 H GLY A 16 3.020 -12.361 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.669 -12.787 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.820 -13.992 7.865 1.00 0.00 H new ATOM 195 N THR A 17 5.928 -11.641 6.349 1.00 0.00 N ATOM 196 CA THR A 17 6.962 -10.642 6.168 1.00 0.00 C ATOM 197 C THR A 17 6.377 -9.250 6.358 1.00 0.00 C ATOM 198 O THR A 17 5.216 -9.011 6.032 1.00 0.00 O ATOM 199 CB THR A 17 7.570 -10.787 4.776 1.00 0.00 C ATOM 200 OG1 THR A 17 8.023 -12.110 4.597 1.00 0.00 O ATOM 201 CG2 THR A 17 8.744 -9.823 4.630 1.00 0.00 C ATOM 0 H THR A 17 5.595 -12.064 5.483 1.00 0.00 H new ATOM 0 HA THR A 17 7.746 -10.788 6.911 1.00 0.00 H new ATOM 0 HB THR A 17 6.815 -10.556 4.024 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.262 -12.690 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.178 -9.927 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.394 -8.800 4.768 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.499 -10.053 5.382 1.00 0.00 H new ATOM 209 N VAL A 18 7.185 -8.329 6.888 1.00 0.00 N ATOM 210 CA VAL A 18 6.747 -6.967 7.119 1.00 0.00 C ATOM 211 C VAL A 18 7.631 -6.003 6.341 1.00 0.00 C ATOM 212 O VAL A 18 8.851 -6.019 6.489 1.00 0.00 O ATOM 213 CB VAL A 18 6.799 -6.663 8.613 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.252 -6.646 9.079 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.165 -5.301 8.877 1.00 0.00 C ATOM 0 H VAL A 18 8.150 -8.512 7.164 1.00 0.00 H new ATOM 0 HA VAL A 18 5.720 -6.847 6.773 1.00 0.00 H new ATOM 0 HB VAL A 18 6.251 -7.431 9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.289 -6.429 10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.706 -7.619 8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.800 -5.878 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.202 -5.083 9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.712 -4.533 8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.127 -5.312 8.545 1.00 0.00 H new ATOM 225 N VAL A 19 7.011 -5.161 5.510 1.00 0.00 N ATOM 226 CA VAL A 19 7.743 -4.196 4.714 1.00 0.00 C ATOM 227 C VAL A 19 7.873 -2.889 5.483 1.00 0.00 C ATOM 228 O VAL A 19 7.214 -2.698 6.502 1.00 0.00 O ATOM 229 CB VAL A 19 7.016 -3.974 3.390 1.00 0.00 C ATOM 230 CG1 VAL A 19 6.544 -5.316 2.838 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.812 -3.065 3.617 1.00 0.00 C ATOM 0 H VAL A 19 6.000 -5.135 5.377 1.00 0.00 H new ATOM 0 HA VAL A 19 8.744 -4.574 4.505 1.00 0.00 H new ATOM 0 HB VAL A 19 7.695 -3.506 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.025 -5.158 1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.404 -5.965 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.865 -5.784 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.293 -2.906 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.133 -3.532 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.149 -2.106 4.011 1.00 0.00 H new ATOM 241 N LYS A 20 8.727 -1.988 4.991 1.00 0.00 N ATOM 242 CA LYS A 20 8.938 -0.706 5.635 1.00 0.00 C ATOM 243 C LYS A 20 8.513 0.418 4.701 1.00 0.00 C ATOM 244 O LYS A 20 8.552 0.264 3.482 1.00 0.00 O ATOM 245 CB LYS A 20 10.409 -0.565 6.016 1.00 0.00 C ATOM 246 CG LYS A 20 10.516 0.042 7.412 1.00 0.00 C ATOM 247 CD LYS A 20 10.510 1.564 7.307 1.00 0.00 C ATOM 248 CE LYS A 20 11.585 2.142 8.223 1.00 0.00 C ATOM 249 NZ LYS A 20 12.785 2.513 7.458 1.00 0.00 N ATOM 0 H LYS A 20 9.281 -2.131 4.146 1.00 0.00 H new ATOM 0 HA LYS A 20 8.334 -0.646 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.897 -1.539 5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.924 0.067 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.684 -0.294 8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.431 -0.296 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.693 1.869 6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.531 1.954 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.194 3.018 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.848 1.411 8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.501 2.903 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.169 1.671 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.535 3.228 6.745 1.00 0.00 H new ATOM 263 N VAL A 21 8.106 1.552 5.276 1.00 0.00 N ATOM 264 CA VAL A 21 7.676 2.695 4.496 1.00 0.00 C ATOM 265 C VAL A 21 7.977 3.979 5.255 1.00 0.00 C ATOM 266 O VAL A 21 7.405 4.224 6.315 1.00 0.00 O ATOM 267 CB VAL A 21 6.184 2.577 4.202 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.398 3.405 5.215 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.901 3.093 2.794 1.00 0.00 C ATOM 0 H VAL A 21 8.068 1.695 6.285 1.00 0.00 H new ATOM 0 HA VAL A 21 8.218 2.720 3.550 1.00 0.00 H new ATOM 0 HB VAL A 21 5.881 1.532 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.332 3.321 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.600 3.037 6.221 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.700 4.450 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.835 3.009 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.204 4.138 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.462 2.502 2.070 1.00 0.00 H new ATOM 279 N ALA A 22 8.878 4.800 4.710 1.00 0.00 N ATOM 280 CA ALA A 22 9.249 6.052 5.337 1.00 0.00 C ATOM 281 C ALA A 22 9.090 7.194 4.343 1.00 0.00 C ATOM 282 O ALA A 22 9.798 7.250 3.341 1.00 0.00 O ATOM 283 CB ALA A 22 10.690 5.964 5.832 1.00 0.00 C ATOM 0 H ALA A 22 9.361 4.611 3.832 1.00 0.00 H new ATOM 0 HA ALA A 22 8.596 6.244 6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.971 6.906 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.777 5.155 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.353 5.769 4.989 1.00 0.00 H new ATOM 289 N GLY A 23 8.156 8.106 4.623 1.00 0.00 N ATOM 290 CA GLY A 23 7.912 9.238 3.750 1.00 0.00 C ATOM 291 C GLY A 23 8.892 10.361 4.058 1.00 0.00 C ATOM 292 O GLY A 23 9.315 10.524 5.201 1.00 0.00 O ATOM 0 H GLY A 23 7.560 8.075 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.014 8.932 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.889 9.592 3.879 1.00 0.00 H new ATOM 296 N ALA A 24 9.253 11.137 3.033 1.00 0.00 N ATOM 297 CA ALA A 24 10.180 12.239 3.197 1.00 0.00 C ATOM 298 C ALA A 24 9.798 13.378 2.263 1.00 0.00 C ATOM 299 O ALA A 24 9.900 13.245 1.045 1.00 0.00 O ATOM 300 CB ALA A 24 11.598 11.755 2.910 1.00 0.00 C ATOM 0 H ALA A 24 8.911 11.015 2.080 1.00 0.00 H new ATOM 0 HA ALA A 24 10.136 12.608 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.297 12.583 3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.857 10.955 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.655 11.381 1.888 1.00 0.00 H new ATOM 306 N GLY A 25 9.356 14.500 2.834 1.00 0.00 N ATOM 307 CA GLY A 25 8.963 15.651 2.047 1.00 0.00 C ATOM 308 C GLY A 25 7.447 15.711 1.921 1.00 0.00 C ATOM 309 O GLY A 25 6.919 16.439 1.082 1.00 0.00 O ATOM 0 H GLY A 25 9.264 14.628 3.842 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.332 16.564 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.415 15.595 1.057 1.00 0.00 H new ATOM 313 N LEU A 26 6.747 14.942 2.757 1.00 0.00 N ATOM 314 CA LEU A 26 5.298 14.910 2.736 1.00 0.00 C ATOM 315 C LEU A 26 4.744 15.968 3.679 1.00 0.00 C ATOM 316 O LEU A 26 5.487 16.552 4.466 1.00 0.00 O ATOM 317 CB LEU A 26 4.814 13.520 3.140 1.00 0.00 C ATOM 318 CG LEU A 26 5.995 12.554 3.151 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.722 12.654 4.490 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.489 11.128 2.952 1.00 0.00 C ATOM 0 H LEU A 26 7.170 14.333 3.457 1.00 0.00 H new ATOM 0 HA LEU A 26 4.941 15.127 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.351 13.557 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.052 13.172 2.443 1.00 0.00 H new ATOM 0 HG LEU A 26 6.682 12.811 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.566 11.964 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.084 13.672 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.036 12.397 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.333 10.438 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.802 10.870 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.970 11.056 1.996 1.00 0.00 H new ATOM 332 N GLN A 27 3.434 16.214 3.600 1.00 0.00 N ATOM 333 CA GLN A 27 2.790 17.200 4.445 1.00 0.00 C ATOM 334 C GLN A 27 3.171 16.962 5.899 1.00 0.00 C ATOM 335 O GLN A 27 2.903 15.895 6.447 1.00 0.00 O ATOM 336 CB GLN A 27 1.277 17.113 4.261 1.00 0.00 C ATOM 337 CG GLN A 27 0.902 17.631 2.875 1.00 0.00 C ATOM 338 CD GLN A 27 -0.523 17.235 2.516 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.385 18.095 2.350 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.769 15.928 2.395 1.00 0.00 N ATOM 0 H GLN A 27 2.804 15.738 2.955 1.00 0.00 H new ATOM 0 HA GLN A 27 3.121 18.199 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.945 16.082 4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.772 17.699 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.000 18.716 2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.593 17.231 2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.019 15.252 2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.706 15.606 2.155 1.00 0.00 H new ATOM 349 N ALA A 28 3.798 17.962 6.524 1.00 0.00 N ATOM 350 CA ALA A 28 4.212 17.857 7.909 1.00 0.00 C ATOM 351 C ALA A 28 2.997 17.957 8.819 1.00 0.00 C ATOM 352 O ALA A 28 2.173 18.856 8.662 1.00 0.00 O ATOM 353 CB ALA A 28 5.216 18.962 8.223 1.00 0.00 C ATOM 0 H ALA A 28 4.027 18.853 6.083 1.00 0.00 H new ATOM 0 HA ALA A 28 4.689 16.892 8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.528 18.885 9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.086 18.858 7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.752 19.934 8.055 1.00 0.00 H new ATOM 359 N GLY A 29 2.885 17.032 9.775 1.00 0.00 N ATOM 360 CA GLY A 29 1.771 17.025 10.701 1.00 0.00 C ATOM 361 C GLY A 29 0.515 16.509 10.012 1.00 0.00 C ATOM 362 O GLY A 29 -0.575 16.568 10.577 1.00 0.00 O ATOM 0 H GLY A 29 3.559 16.280 9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.007 16.397 11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.598 18.032 11.081 1.00 0.00 H new ATOM 366 N THR A 30 0.670 16.004 8.786 1.00 0.00 N ATOM 367 CA THR A 30 -0.452 15.482 8.031 1.00 0.00 C ATOM 368 C THR A 30 -0.556 13.977 8.230 1.00 0.00 C ATOM 369 O THR A 30 0.456 13.280 8.263 1.00 0.00 O ATOM 370 CB THR A 30 -0.270 15.820 6.554 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.208 16.804 6.179 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.487 14.565 5.714 1.00 0.00 C ATOM 0 H THR A 30 1.566 15.949 8.302 1.00 0.00 H new ATOM 0 HA THR A 30 -1.376 15.939 8.385 1.00 0.00 H new ATOM 0 HB THR A 30 0.739 16.197 6.389 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.317 16.797 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.357 14.806 4.659 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.237 13.803 6.004 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.496 14.187 5.878 1.00 0.00 H new ATOM 380 N ALA A 31 -1.786 13.476 8.364 1.00 0.00 N ATOM 381 CA ALA A 31 -2.018 12.059 8.560 1.00 0.00 C ATOM 382 C ALA A 31 -2.013 11.346 7.215 1.00 0.00 C ATOM 383 O ALA A 31 -2.346 11.941 6.193 1.00 0.00 O ATOM 384 CB ALA A 31 -3.351 11.857 9.275 1.00 0.00 C ATOM 0 H ALA A 31 -2.635 14.041 8.339 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.224 11.637 9.176 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.527 10.791 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.325 12.358 10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.155 12.277 8.671 1.00 0.00 H new ATOM 390 N TYR A 32 -1.634 10.065 7.218 1.00 0.00 N ATOM 391 CA TYR A 32 -1.587 9.281 6.000 1.00 0.00 C ATOM 392 C TYR A 32 -2.158 7.894 6.257 1.00 0.00 C ATOM 393 O TYR A 32 -1.978 7.337 7.338 1.00 0.00 O ATOM 394 CB TYR A 32 -0.145 9.191 5.511 1.00 0.00 C ATOM 395 CG TYR A 32 0.371 10.478 4.913 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.232 11.009 3.767 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.452 11.141 5.506 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.246 12.202 3.212 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.931 12.334 4.952 1.00 0.00 C ATOM 400 CZ TYR A 32 1.328 12.865 3.805 1.00 0.00 C ATOM 401 OH TYR A 32 1.794 14.027 3.265 1.00 0.00 O ATOM 0 H TYR A 32 -1.356 9.556 8.057 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.189 9.762 5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.496 8.905 6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.071 8.399 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.067 10.498 3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.917 10.732 6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.219 12.611 2.327 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.766 12.845 5.409 1.00 0.00 H new ATOM 0 HH TYR A 32 1.643 14.021 2.297 1.00 0.00 H new ATOM 411 N ASP A 33 -2.847 7.336 5.260 1.00 0.00 N ATOM 412 CA ASP A 33 -3.440 6.019 5.383 1.00 0.00 C ATOM 413 C ASP A 33 -2.632 5.013 4.575 1.00 0.00 C ATOM 414 O ASP A 33 -2.569 5.106 3.352 1.00 0.00 O ATOM 415 CB ASP A 33 -4.886 6.066 4.898 1.00 0.00 C ATOM 416 CG ASP A 33 -5.836 6.364 6.050 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.981 5.470 6.912 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.400 7.479 6.046 1.00 0.00 O ATOM 0 H ASP A 33 -3.004 7.785 4.358 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.431 5.707 6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.991 6.830 4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.151 5.113 4.440 1.00 0.00 H new ATOM 423 N VAL A 34 -2.015 4.050 5.264 1.00 0.00 N ATOM 424 CA VAL A 34 -1.215 3.034 4.609 1.00 0.00 C ATOM 425 C VAL A 34 -1.995 1.729 4.545 1.00 0.00 C ATOM 426 O VAL A 34 -2.725 1.393 5.475 1.00 0.00 O ATOM 427 CB VAL A 34 0.092 2.847 5.372 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.218 2.545 4.387 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.419 4.123 6.143 1.00 0.00 C ATOM 0 H VAL A 34 -2.060 3.960 6.279 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.983 3.346 3.591 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.012 2.017 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.152 2.411 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.985 1.633 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.322 3.374 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.353 3.989 6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.522 4.954 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.385 4.339 6.847 1.00 0.00 H new ATOM 439 N GLY A 35 -1.839 0.991 3.443 1.00 0.00 N ATOM 440 CA GLY A 35 -2.530 -0.271 3.269 1.00 0.00 C ATOM 441 C GLY A 35 -1.967 -1.019 2.068 1.00 0.00 C ATOM 442 O GLY A 35 -1.153 -0.479 1.323 1.00 0.00 O ATOM 0 H GLY A 35 -1.238 1.254 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.424 -0.879 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.596 -0.094 3.129 1.00 0.00 H new ATOM 446 N GLN A 36 -2.405 -2.267 1.882 1.00 0.00 N ATOM 447 CA GLN A 36 -1.943 -3.081 0.776 1.00 0.00 C ATOM 448 C GLN A 36 -3.109 -3.409 -0.146 1.00 0.00 C ATOM 449 O GLN A 36 -4.061 -4.068 0.264 1.00 0.00 O ATOM 450 CB GLN A 36 -1.306 -4.358 1.317 1.00 0.00 C ATOM 451 CG GLN A 36 -1.315 -5.431 0.233 1.00 0.00 C ATOM 452 CD GLN A 36 -0.864 -6.772 0.793 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.648 -7.481 1.420 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.406 -7.119 0.566 1.00 0.00 N ATOM 0 H GLN A 36 -3.081 -2.729 2.490 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.196 -2.532 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.283 -4.159 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.853 -4.707 2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.318 -5.525 -0.183 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.658 -5.134 -0.584 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.019 -6.496 0.040 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.763 -8.007 0.919 1.00 0.00 H new ATOM 463 N CYS A 37 -3.031 -2.947 -1.397 1.00 0.00 N ATOM 464 CA CYS A 37 -4.076 -3.193 -2.370 1.00 0.00 C ATOM 465 C CYS A 37 -3.579 -4.172 -3.423 1.00 0.00 C ATOM 466 O CYS A 37 -2.385 -4.456 -3.495 1.00 0.00 O ATOM 467 CB CYS A 37 -4.492 -1.873 -3.012 1.00 0.00 C ATOM 468 SG CYS A 37 -5.294 -0.720 -1.871 1.00 0.00 S ATOM 0 H CYS A 37 -2.247 -2.399 -1.752 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.943 -3.631 -1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.610 -1.393 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.171 -2.081 -3.839 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.544 -0.583 -2.200 1.00 0.00 H new ATOM 473 N ALA A 38 -4.498 -4.690 -4.241 1.00 0.00 N ATOM 474 CA ALA A 38 -4.150 -5.634 -5.283 1.00 0.00 C ATOM 475 C ALA A 38 -5.139 -5.520 -6.434 1.00 0.00 C ATOM 476 O ALA A 38 -6.347 -5.613 -6.229 1.00 0.00 O ATOM 477 CB ALA A 38 -4.150 -7.048 -4.708 1.00 0.00 C ATOM 0 H ALA A 38 -5.492 -4.464 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.153 -5.410 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.888 -7.759 -5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.420 -7.112 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.141 -7.283 -4.321 1.00 0.00 H new ATOM 483 N TRP A 39 -4.624 -5.316 -7.649 1.00 0.00 N ATOM 484 CA TRP A 39 -5.467 -5.192 -8.822 1.00 0.00 C ATOM 485 C TRP A 39 -6.164 -6.516 -9.102 1.00 0.00 C ATOM 486 O TRP A 39 -5.510 -7.548 -9.237 1.00 0.00 O ATOM 487 CB TRP A 39 -4.616 -4.766 -10.015 1.00 0.00 C ATOM 488 CG TRP A 39 -5.005 -5.386 -11.319 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.270 -5.647 -11.713 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.147 -5.833 -12.413 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.255 -6.220 -12.967 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.969 -6.358 -13.447 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.759 -5.848 -12.638 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.444 -6.870 -14.637 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.222 -6.359 -13.828 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.059 -6.870 -14.827 1.00 0.00 C ATOM 0 H TRP A 39 -3.625 -5.234 -7.838 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.231 -4.434 -8.646 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.672 -3.682 -10.114 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.575 -5.014 -9.807 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.158 -5.439 -11.134 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.091 -6.506 -13.477 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.095 -5.459 -11.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.100 -7.261 -15.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.152 -6.358 -13.975 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.637 -7.262 -15.740 1.00 0.00 H new ATOM 507 N VAL A 40 -7.496 -6.483 -9.188 1.00 0.00 N ATOM 508 CA VAL A 40 -8.274 -7.677 -9.451 1.00 0.00 C ATOM 509 C VAL A 40 -8.771 -7.661 -10.890 1.00 0.00 C ATOM 510 O VAL A 40 -8.707 -8.675 -11.581 1.00 0.00 O ATOM 511 CB VAL A 40 -9.446 -7.744 -8.475 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.927 -8.078 -7.080 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.158 -6.394 -8.443 1.00 0.00 C ATOM 0 H VAL A 40 -8.052 -5.635 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.651 -8.561 -9.312 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.144 -8.516 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.763 -8.126 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.417 -9.041 -7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.229 -7.306 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.995 -6.441 -7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.460 -5.622 -8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.528 -6.154 -9.440 1.00 0.00 H new ATOM 523 N ASP A 41 -9.266 -6.506 -11.340 1.00 0.00 N ATOM 524 CA ASP A 41 -9.769 -6.365 -12.692 1.00 0.00 C ATOM 525 C ASP A 41 -9.422 -4.985 -13.230 1.00 0.00 C ATOM 526 O ASP A 41 -9.079 -4.087 -12.464 1.00 0.00 O ATOM 527 CB ASP A 41 -11.280 -6.583 -12.695 1.00 0.00 C ATOM 528 CG ASP A 41 -11.658 -7.757 -13.588 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.365 -7.666 -14.799 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.233 -8.723 -13.041 1.00 0.00 O ATOM 0 H ASP A 41 -9.326 -5.656 -10.779 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.305 -7.111 -13.337 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.627 -6.768 -11.678 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.781 -5.680 -13.043 1.00 0.00 H new ATOM 535 N THR A 42 -9.510 -4.817 -14.551 1.00 0.00 N ATOM 536 CA THR A 42 -9.204 -3.547 -15.179 1.00 0.00 C ATOM 537 C THR A 42 -9.987 -2.432 -14.501 1.00 0.00 C ATOM 538 O THR A 42 -11.212 -2.388 -14.586 1.00 0.00 O ATOM 539 CB THR A 42 -9.545 -3.620 -16.664 1.00 0.00 C ATOM 540 OG1 THR A 42 -9.423 -2.338 -17.238 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.977 -4.119 -16.834 1.00 0.00 C ATOM 0 H THR A 42 -9.792 -5.551 -15.201 1.00 0.00 H new ATOM 0 HA THR A 42 -8.141 -3.333 -15.073 1.00 0.00 H new ATOM 0 HB THR A 42 -8.860 -4.307 -17.160 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.641 -2.385 -18.192 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.221 -4.171 -17.895 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.072 -5.110 -16.391 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.663 -3.432 -16.338 1.00 0.00 H new ATOM 549 N GLY A 43 -9.275 -1.526 -13.825 1.00 0.00 N ATOM 550 CA GLY A 43 -9.909 -0.419 -13.138 1.00 0.00 C ATOM 551 C GLY A 43 -10.635 -0.914 -11.895 1.00 0.00 C ATOM 552 O GLY A 43 -11.363 -0.159 -11.256 1.00 0.00 O ATOM 0 H GLY A 43 -8.258 -1.545 -13.744 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.160 0.322 -12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.614 0.077 -13.806 1.00 0.00 H new ATOM 556 N VAL A 44 -10.433 -2.189 -11.554 1.00 0.00 N ATOM 557 CA VAL A 44 -11.067 -2.780 -10.392 1.00 0.00 C ATOM 558 C VAL A 44 -10.013 -3.411 -9.495 1.00 0.00 C ATOM 559 O VAL A 44 -9.471 -4.466 -9.819 1.00 0.00 O ATOM 560 CB VAL A 44 -12.087 -3.821 -10.845 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.923 -4.268 -9.649 1.00 0.00 C ATOM 562 CG2 VAL A 44 -13.000 -3.212 -11.904 1.00 0.00 C ATOM 0 H VAL A 44 -9.831 -2.827 -12.074 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.584 -2.008 -9.822 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.566 -4.681 -11.266 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.652 -5.011 -9.972 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.271 -4.704 -8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.444 -3.408 -9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.728 -3.956 -12.228 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.521 -2.352 -11.484 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.404 -2.893 -12.759 1.00 0.00 H new ATOM 572 N LEU A 45 -9.722 -2.763 -8.365 1.00 0.00 N ATOM 573 CA LEU A 45 -8.736 -3.263 -7.428 1.00 0.00 C ATOM 574 C LEU A 45 -9.406 -3.603 -6.105 1.00 0.00 C ATOM 575 O LEU A 45 -10.523 -3.163 -5.840 1.00 0.00 O ATOM 576 CB LEU A 45 -7.647 -2.213 -7.228 1.00 0.00 C ATOM 577 CG LEU A 45 -8.097 -1.210 -6.170 1.00 0.00 C ATOM 578 CD1 LEU A 45 -7.879 -1.803 -4.781 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.283 0.074 -6.308 1.00 0.00 C ATOM 0 H LEU A 45 -10.162 -1.887 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.280 -4.170 -7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.718 -2.692 -6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.444 -1.700 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.155 -0.987 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.200 -1.087 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.459 -2.720 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.821 -2.026 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.604 0.791 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.225 -0.149 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.438 0.498 -7.300 1.00 0.00 H new ATOM 591 N ALA A 46 -8.721 -4.390 -5.272 1.00 0.00 N ATOM 592 CA ALA A 46 -9.252 -4.786 -3.983 1.00 0.00 C ATOM 593 C ALA A 46 -8.254 -4.442 -2.887 1.00 0.00 C ATOM 594 O ALA A 46 -7.052 -4.637 -3.056 1.00 0.00 O ATOM 595 CB ALA A 46 -9.550 -6.282 -3.994 1.00 0.00 C ATOM 0 H ALA A 46 -7.794 -4.763 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.178 -4.247 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.949 -6.581 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.282 -6.501 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.632 -6.834 -4.194 1.00 0.00 H new ATOM 601 N CYS A 47 -8.754 -3.930 -1.760 1.00 0.00 N ATOM 602 CA CYS A 47 -7.907 -3.562 -0.644 1.00 0.00 C ATOM 603 C CYS A 47 -8.117 -4.538 0.506 1.00 0.00 C ATOM 604 O CYS A 47 -9.203 -5.092 0.661 1.00 0.00 O ATOM 605 CB CYS A 47 -8.231 -2.136 -0.208 1.00 0.00 C ATOM 606 SG CYS A 47 -7.578 -0.862 -1.317 1.00 0.00 S ATOM 0 H CYS A 47 -9.748 -3.764 -1.605 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.861 -3.606 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.313 -2.025 -0.140 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.830 -1.973 0.792 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.409 -0.479 -0.897 1.00 0.00 H new ATOM 611 N ASN A 48 -7.074 -4.748 1.312 1.00 0.00 N ATOM 612 CA ASN A 48 -7.152 -5.654 2.440 1.00 0.00 C ATOM 613 C ASN A 48 -7.148 -4.864 3.741 1.00 0.00 C ATOM 614 O ASN A 48 -6.127 -4.297 4.123 1.00 0.00 O ATOM 615 CB ASN A 48 -5.975 -6.624 2.393 1.00 0.00 C ATOM 616 CG ASN A 48 -5.911 -7.462 3.662 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.864 -7.490 4.438 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.785 -8.147 3.872 1.00 0.00 N ATOM 0 H ASN A 48 -6.166 -4.297 1.197 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.080 -6.224 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.071 -7.277 1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.045 -6.068 2.272 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.688 -8.726 4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.021 -8.092 3.198 1.00 0.00 H new ATOM 625 N PRO A 49 -8.296 -4.829 4.422 1.00 0.00 N ATOM 626 CA PRO A 49 -8.479 -4.131 5.677 1.00 0.00 C ATOM 627 C PRO A 49 -7.760 -4.883 6.788 1.00 0.00 C ATOM 628 O PRO A 49 -7.786 -4.462 7.943 1.00 0.00 O ATOM 629 CB PRO A 49 -9.989 -4.127 5.906 1.00 0.00 C ATOM 630 CG PRO A 49 -10.439 -5.414 5.216 1.00 0.00 C ATOM 631 CD PRO A 49 -9.516 -5.484 4.002 1.00 0.00 C ATOM 0 HA PRO A 49 -8.074 -3.119 5.664 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.237 -4.129 6.967 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.462 -3.247 5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.323 -6.283 5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.489 -5.372 4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.329 -6.517 3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.957 -4.982 3.141 1.00 0.00 H new ATOM 639 N ALA A 50 -7.119 -6.000 6.438 1.00 0.00 N ATOM 640 CA ALA A 50 -6.401 -6.805 7.405 1.00 0.00 C ATOM 641 C ALA A 50 -4.970 -6.301 7.534 1.00 0.00 C ATOM 642 O ALA A 50 -4.261 -6.672 8.467 1.00 0.00 O ATOM 643 CB ALA A 50 -6.422 -8.266 6.966 1.00 0.00 C ATOM 0 H ALA A 50 -7.088 -6.362 5.485 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.883 -6.726 8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.882 -8.872 7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.454 -8.611 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.945 -8.360 5.990 1.00 0.00 H new ATOM 649 N ASP A 51 -4.547 -5.452 6.595 1.00 0.00 N ATOM 650 CA ASP A 51 -3.206 -4.904 6.608 1.00 0.00 C ATOM 651 C ASP A 51 -3.269 -3.386 6.507 1.00 0.00 C ATOM 652 O ASP A 51 -2.335 -2.756 6.016 1.00 0.00 O ATOM 653 CB ASP A 51 -2.406 -5.490 5.448 1.00 0.00 C ATOM 654 CG ASP A 51 -3.163 -5.341 4.136 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.807 -4.283 3.969 1.00 0.00 O ATOM 656 OD2 ASP A 51 -3.082 -6.288 3.324 1.00 0.00 O ATOM 0 H ASP A 51 -5.123 -5.133 5.816 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.711 -5.167 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.442 -4.987 5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.202 -6.544 5.637 1.00 0.00 H new ATOM 661 N PHE A 52 -4.374 -2.800 6.973 1.00 0.00 N ATOM 662 CA PHE A 52 -4.550 -1.362 6.932 1.00 0.00 C ATOM 663 C PHE A 52 -3.869 -0.724 8.134 1.00 0.00 C ATOM 664 O PHE A 52 -4.374 -0.803 9.252 1.00 0.00 O ATOM 665 CB PHE A 52 -6.040 -1.033 6.916 1.00 0.00 C ATOM 666 CG PHE A 52 -6.506 -0.412 5.621 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.615 0.338 4.844 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.830 -0.584 5.199 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.048 0.916 3.645 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.262 -0.006 3.999 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.372 0.744 3.222 1.00 0.00 C ATOM 0 H PHE A 52 -5.158 -3.308 7.383 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.093 -0.962 6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.607 -1.946 7.097 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.262 -0.352 7.737 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.594 0.471 5.170 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.518 -1.162 5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.361 1.495 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.283 -0.139 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.706 1.190 2.297 1.00 0.00 H new ATOM 681 N SER A 53 -2.717 -0.088 7.903 1.00 0.00 N ATOM 682 CA SER A 53 -1.976 0.560 8.966 1.00 0.00 C ATOM 683 C SER A 53 -2.228 2.061 8.931 1.00 0.00 C ATOM 684 O SER A 53 -2.868 2.564 8.010 1.00 0.00 O ATOM 685 CB SER A 53 -0.489 0.257 8.806 1.00 0.00 C ATOM 686 OG SER A 53 0.249 1.027 9.728 1.00 0.00 O ATOM 0 H SER A 53 -2.284 -0.013 6.983 1.00 0.00 H new ATOM 0 HA SER A 53 -2.309 0.179 9.931 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.303 -0.804 8.971 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.168 0.482 7.789 1.00 0.00 H new ATOM 0 HG SER A 53 1.204 0.832 9.627 1.00 0.00 H new ATOM 692 N SER A 54 -1.722 2.776 9.938 1.00 0.00 N ATOM 693 CA SER A 54 -1.893 4.213 10.015 1.00 0.00 C ATOM 694 C SER A 54 -0.655 4.848 10.634 1.00 0.00 C ATOM 695 O SER A 54 0.051 4.208 11.410 1.00 0.00 O ATOM 696 CB SER A 54 -3.135 4.533 10.840 1.00 0.00 C ATOM 697 OG SER A 54 -2.790 4.589 12.206 1.00 0.00 O ATOM 0 H SER A 54 -1.190 2.374 10.710 1.00 0.00 H new ATOM 0 HA SER A 54 -2.024 4.622 9.013 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.561 5.485 10.522 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.899 3.772 10.678 1.00 0.00 H new ATOM 0 HG SER A 54 -3.587 4.796 12.737 1.00 0.00 H new ATOM 703 N VAL A 55 -0.395 6.111 10.289 1.00 0.00 N ATOM 704 CA VAL A 55 0.752 6.826 10.811 1.00 0.00 C ATOM 705 C VAL A 55 0.618 8.310 10.501 1.00 0.00 C ATOM 706 O VAL A 55 -0.080 8.690 9.564 1.00 0.00 O ATOM 707 CB VAL A 55 2.028 6.258 10.196 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.940 6.341 8.675 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.229 7.064 10.681 1.00 0.00 C ATOM 0 H VAL A 55 -0.972 6.654 9.647 1.00 0.00 H new ATOM 0 HA VAL A 55 0.801 6.704 11.893 1.00 0.00 H new ATOM 0 HB VAL A 55 2.144 5.217 10.497 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.851 5.935 8.235 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.082 5.765 8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.824 7.382 8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.141 6.659 10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.114 8.105 10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.292 7.005 11.768 1.00 0.00 H new ATOM 719 N THR A 56 1.291 9.150 11.291 1.00 0.00 N ATOM 720 CA THR A 56 1.242 10.585 11.093 1.00 0.00 C ATOM 721 C THR A 56 2.654 11.142 10.985 1.00 0.00 C ATOM 722 O THR A 56 3.542 10.739 11.733 1.00 0.00 O ATOM 723 CB THR A 56 0.492 11.232 12.254 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.787 10.651 12.370 1.00 0.00 O ATOM 725 CG2 THR A 56 0.349 12.729 11.996 1.00 0.00 C ATOM 0 H THR A 56 1.875 8.852 12.073 1.00 0.00 H new ATOM 0 HA THR A 56 0.714 10.809 10.166 1.00 0.00 H new ATOM 0 HB THR A 56 1.048 11.074 13.178 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.268 11.065 13.117 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.187 13.192 12.825 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.338 13.179 11.907 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.206 12.887 11.072 1.00 0.00 H new ATOM 733 N ALA A 57 2.859 12.073 10.050 1.00 0.00 N ATOM 734 CA ALA A 57 4.159 12.680 9.848 1.00 0.00 C ATOM 735 C ALA A 57 4.431 13.694 10.950 1.00 0.00 C ATOM 736 O ALA A 57 3.505 14.314 11.468 1.00 0.00 O ATOM 737 CB ALA A 57 4.200 13.347 8.476 1.00 0.00 C ATOM 0 H ALA A 57 2.132 12.418 9.423 1.00 0.00 H new ATOM 0 HA ALA A 57 4.933 11.914 9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.178 13.804 8.323 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.024 12.599 7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.428 14.115 8.421 1.00 0.00 H new ATOM 743 N ASP A 58 5.706 13.863 11.307 1.00 0.00 N ATOM 744 CA ASP A 58 6.092 14.798 12.344 1.00 0.00 C ATOM 745 C ASP A 58 6.256 16.189 11.748 1.00 0.00 C ATOM 746 O ASP A 58 5.950 16.404 10.577 1.00 0.00 O ATOM 747 CB ASP A 58 7.392 14.330 12.992 1.00 0.00 C ATOM 748 CG ASP A 58 8.492 14.174 11.952 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.329 14.760 10.860 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.476 13.470 12.268 1.00 0.00 O ATOM 0 H ASP A 58 6.486 13.358 10.886 1.00 0.00 H new ATOM 0 HA ASP A 58 5.316 14.841 13.108 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.703 15.047 13.751 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.228 13.379 13.499 1.00 0.00 H new ATOM 755 N ALA A 59 6.741 17.134 12.557 1.00 0.00 N ATOM 756 CA ALA A 59 6.942 18.496 12.107 1.00 0.00 C ATOM 757 C ALA A 59 7.971 18.522 10.986 1.00 0.00 C ATOM 758 O ALA A 59 7.998 19.456 10.187 1.00 0.00 O ATOM 759 CB ALA A 59 7.399 19.357 13.281 1.00 0.00 C ATOM 0 H ALA A 59 7.000 16.971 13.530 1.00 0.00 H new ATOM 0 HA ALA A 59 6.005 18.898 11.722 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.551 20.382 12.943 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.639 19.341 14.062 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.335 18.964 13.678 1.00 0.00 H new ATOM 765 N ASN A 60 8.820 17.494 10.928 1.00 0.00 N ATOM 766 CA ASN A 60 9.844 17.406 9.906 1.00 0.00 C ATOM 767 C ASN A 60 9.226 16.956 8.590 1.00 0.00 C ATOM 768 O ASN A 60 9.892 16.954 7.557 1.00 0.00 O ATOM 769 CB ASN A 60 10.927 16.429 10.356 1.00 0.00 C ATOM 770 CG ASN A 60 12.276 17.125 10.460 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.352 18.350 10.393 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.343 16.340 10.627 1.00 0.00 N ATOM 0 H ASN A 60 8.812 16.712 11.583 1.00 0.00 H new ATOM 0 HA ASN A 60 10.296 18.386 9.754 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.658 16.002 11.322 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.993 15.602 9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.273 16.753 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.229 15.328 10.677 1.00 0.00 H new ATOM 779 N GLY A 61 7.947 16.576 8.627 1.00 0.00 N ATOM 780 CA GLY A 61 7.251 16.128 7.438 1.00 0.00 C ATOM 781 C GLY A 61 7.718 14.733 7.046 1.00 0.00 C ATOM 782 O GLY A 61 7.748 14.394 5.865 1.00 0.00 O ATOM 0 H GLY A 61 7.379 16.573 9.474 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.176 16.122 7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.433 16.823 6.618 1.00 0.00 H new ATOM 786 N SER A 62 8.084 13.924 8.043 1.00 0.00 N ATOM 787 CA SER A 62 8.547 12.573 7.798 1.00 0.00 C ATOM 788 C SER A 62 7.751 11.592 8.648 1.00 0.00 C ATOM 789 O SER A 62 7.469 11.863 9.813 1.00 0.00 O ATOM 790 CB SER A 62 10.036 12.480 8.117 1.00 0.00 C ATOM 791 OG SER A 62 10.245 12.791 9.476 1.00 0.00 O ATOM 0 H SER A 62 8.065 14.190 9.027 1.00 0.00 H new ATOM 0 HA SER A 62 8.397 12.318 6.749 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.403 11.476 7.902 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.598 13.167 7.485 1.00 0.00 H new ATOM 0 HG SER A 62 11.201 12.730 9.682 1.00 0.00 H new ATOM 797 N ALA A 63 7.390 10.448 8.062 1.00 0.00 N ATOM 798 CA ALA A 63 6.630 9.435 8.766 1.00 0.00 C ATOM 799 C ALA A 63 7.353 8.098 8.681 1.00 0.00 C ATOM 800 O ALA A 63 8.270 7.935 7.880 1.00 0.00 O ATOM 801 CB ALA A 63 5.234 9.335 8.159 1.00 0.00 C ATOM 0 H ALA A 63 7.617 10.208 7.097 1.00 0.00 H new ATOM 0 HA ALA A 63 6.536 9.709 9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.661 8.573 8.688 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.729 10.297 8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.314 9.064 7.106 1.00 0.00 H new ATOM 807 N SER A 64 6.937 7.139 9.512 1.00 0.00 N ATOM 808 CA SER A 64 7.545 5.824 9.525 1.00 0.00 C ATOM 809 C SER A 64 6.518 4.784 9.950 1.00 0.00 C ATOM 810 O SER A 64 5.870 4.934 10.984 1.00 0.00 O ATOM 811 CB SER A 64 8.738 5.826 10.477 1.00 0.00 C ATOM 812 OG SER A 64 8.284 5.651 11.800 1.00 0.00 O ATOM 0 H SER A 64 6.178 7.258 10.183 1.00 0.00 H new ATOM 0 HA SER A 64 7.895 5.571 8.524 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.431 5.028 10.210 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.285 6.765 10.390 1.00 0.00 H new ATOM 0 HG SER A 64 7.304 5.635 11.810 1.00 0.00 H new ATOM 818 N THR A 65 6.370 3.726 9.150 1.00 0.00 N ATOM 819 CA THR A 65 5.425 2.669 9.452 1.00 0.00 C ATOM 820 C THR A 65 5.756 1.429 8.635 1.00 0.00 C ATOM 821 O THR A 65 6.397 1.522 7.590 1.00 0.00 O ATOM 822 CB THR A 65 4.010 3.154 9.149 1.00 0.00 C ATOM 823 OG1 THR A 65 3.259 3.185 10.342 1.00 0.00 O ATOM 824 CG2 THR A 65 3.348 2.202 8.156 1.00 0.00 C ATOM 0 H THR A 65 6.897 3.586 8.288 1.00 0.00 H new ATOM 0 HA THR A 65 5.490 2.409 10.509 1.00 0.00 H new ATOM 0 HB THR A 65 4.053 4.155 8.720 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.734 3.717 11.014 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.337 2.548 7.939 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.929 2.177 7.234 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.305 1.201 8.585 1.00 0.00 H new ATOM 832 N SER A 66 5.317 0.263 9.115 1.00 0.00 N ATOM 833 CA SER A 66 5.567 -0.988 8.428 1.00 0.00 C ATOM 834 C SER A 66 4.270 -1.519 7.832 1.00 0.00 C ATOM 835 O SER A 66 3.236 -1.523 8.495 1.00 0.00 O ATOM 836 CB SER A 66 6.163 -1.995 9.408 1.00 0.00 C ATOM 837 OG SER A 66 6.740 -1.307 10.495 1.00 0.00 O ATOM 0 H SER A 66 4.786 0.168 9.980 1.00 0.00 H new ATOM 0 HA SER A 66 6.276 -0.826 7.617 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.389 -2.675 9.764 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.916 -2.604 8.908 1.00 0.00 H new ATOM 0 HG SER A 66 7.121 -1.953 11.126 1.00 0.00 H new ATOM 843 N LEU A 67 4.329 -1.968 6.576 1.00 0.00 N ATOM 844 CA LEU A 67 3.163 -2.498 5.898 1.00 0.00 C ATOM 845 C LEU A 67 3.331 -3.995 5.677 1.00 0.00 C ATOM 846 O LEU A 67 4.261 -4.424 4.998 1.00 0.00 O ATOM 847 CB LEU A 67 2.975 -1.773 4.569 1.00 0.00 C ATOM 848 CG LEU A 67 1.499 -1.798 4.181 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.022 -3.245 4.088 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.683 -1.060 5.238 1.00 0.00 C ATOM 0 H LEU A 67 5.180 -1.971 6.013 1.00 0.00 H new ATOM 0 HA LEU A 67 2.277 -2.339 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.323 -0.743 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.574 -2.251 3.794 1.00 0.00 H new ATOM 0 HG LEU A 67 1.369 -1.310 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.032 -3.264 3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.605 -3.772 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.152 -3.734 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.371 -1.077 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.813 -1.548 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.024 -0.027 5.305 1.00 0.00 H new ATOM 862 N THR A 68 2.426 -4.791 6.251 1.00 0.00 N ATOM 863 CA THR A 68 2.481 -6.232 6.111 1.00 0.00 C ATOM 864 C THR A 68 2.019 -6.635 4.718 1.00 0.00 C ATOM 865 O THR A 68 0.950 -6.226 4.272 1.00 0.00 O ATOM 866 CB THR A 68 1.605 -6.880 7.179 1.00 0.00 C ATOM 867 OG1 THR A 68 1.533 -8.269 6.949 1.00 0.00 O ATOM 868 CG2 THR A 68 0.202 -6.281 7.119 1.00 0.00 C ATOM 0 H THR A 68 1.648 -4.452 6.817 1.00 0.00 H new ATOM 0 HA THR A 68 3.507 -6.574 6.244 1.00 0.00 H new ATOM 0 HB THR A 68 2.037 -6.697 8.163 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.259 -8.723 7.773 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.424 -6.744 7.882 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.257 -5.207 7.297 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.230 -6.464 6.135 1.00 0.00 H new ATOM 876 N VAL A 69 2.831 -7.442 4.030 1.00 0.00 N ATOM 877 CA VAL A 69 2.505 -7.897 2.694 1.00 0.00 C ATOM 878 C VAL A 69 2.013 -9.336 2.746 1.00 0.00 C ATOM 879 O VAL A 69 2.675 -10.200 3.318 1.00 0.00 O ATOM 880 CB VAL A 69 3.737 -7.778 1.801 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.987 -7.682 2.670 1.00 0.00 C ATOM 882 CG2 VAL A 69 3.834 -9.008 0.903 1.00 0.00 C ATOM 0 H VAL A 69 3.721 -7.790 4.386 1.00 0.00 H new ATOM 0 HA VAL A 69 1.711 -7.277 2.278 1.00 0.00 H new ATOM 0 HB VAL A 69 3.654 -6.883 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.867 -7.597 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.917 -6.804 3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.071 -8.577 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.714 -8.924 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.917 -9.903 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.941 -9.077 0.282 1.00 0.00 H new ATOM 892 N ARG A 70 0.848 -9.593 2.146 1.00 0.00 N ATOM 893 CA ARG A 70 0.275 -10.924 2.128 1.00 0.00 C ATOM 894 C ARG A 70 0.235 -11.448 0.700 1.00 0.00 C ATOM 895 O ARG A 70 0.110 -10.672 -0.245 1.00 0.00 O ATOM 896 CB ARG A 70 -1.128 -10.880 2.727 1.00 0.00 C ATOM 897 CG ARG A 70 -1.054 -11.188 4.220 1.00 0.00 C ATOM 898 CD ARG A 70 -0.057 -10.242 4.885 1.00 0.00 C ATOM 899 NE ARG A 70 -0.370 -10.062 6.303 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.115 -10.998 7.227 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.453 -12.158 6.867 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.426 -10.775 8.511 1.00 0.00 N ATOM 0 H ARG A 70 0.288 -8.888 1.667 1.00 0.00 H new ATOM 0 HA ARG A 70 0.890 -11.598 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.572 -9.897 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.771 -11.604 2.227 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.038 -11.075 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.748 -12.223 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.953 -10.639 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.074 -9.276 4.380 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.801 -9.187 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.691 -12.328 5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.647 -12.871 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.857 -9.892 8.785 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.232 -11.488 9.214 1.00 0.00 H new ATOM 916 N ARG A 71 0.340 -12.770 0.545 1.00 0.00 N ATOM 917 CA ARG A 71 0.317 -13.391 -0.765 1.00 0.00 C ATOM 918 C ARG A 71 -1.116 -13.471 -1.271 1.00 0.00 C ATOM 919 O ARG A 71 -1.346 -13.675 -2.461 1.00 0.00 O ATOM 920 CB ARG A 71 0.938 -14.782 -0.678 1.00 0.00 C ATOM 921 CG ARG A 71 0.008 -15.707 0.101 1.00 0.00 C ATOM 922 CD ARG A 71 -0.679 -16.669 -0.864 1.00 0.00 C ATOM 923 NE ARG A 71 -1.040 -17.917 -0.192 1.00 0.00 N ATOM 924 CZ ARG A 71 -1.952 -18.768 -0.683 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.575 -18.491 -1.836 1.00 0.00 N ATOM 926 NH2 ARG A 71 -2.242 -19.896 -0.020 1.00 0.00 N ATOM 0 H ARG A 71 0.442 -13.426 1.319 1.00 0.00 H new ATOM 0 HA ARG A 71 0.897 -12.792 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.108 -15.179 -1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.910 -14.728 -0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.574 -16.266 0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.737 -15.121 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.574 -16.201 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.017 -16.882 -1.703 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.578 -18.150 0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -2.356 -17.632 -2.341 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.269 -19.139 -2.209 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.769 -20.107 0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.936 -20.543 -0.394 1.00 0.00 H new ATOM 940 N SER A 72 -2.082 -13.309 -0.364 1.00 0.00 N ATOM 941 CA SER A 72 -3.485 -13.362 -0.724 1.00 0.00 C ATOM 942 C SER A 72 -4.324 -12.713 0.368 1.00 0.00 C ATOM 943 O SER A 72 -3.963 -12.761 1.542 1.00 0.00 O ATOM 944 CB SER A 72 -3.900 -14.816 -0.933 1.00 0.00 C ATOM 945 OG SER A 72 -3.387 -15.606 0.116 1.00 0.00 O ATOM 0 H SER A 72 -1.909 -13.140 0.627 1.00 0.00 H new ATOM 0 HA SER A 72 -3.647 -12.814 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.987 -14.894 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.527 -15.178 -1.891 1.00 0.00 H new ATOM 0 HG SER A 72 -3.654 -16.539 -0.017 1.00 0.00 H new ATOM 951 N PHE A 73 -5.447 -12.106 -0.021 1.00 0.00 N ATOM 952 CA PHE A 73 -6.329 -11.453 0.925 1.00 0.00 C ATOM 953 C PHE A 73 -7.544 -10.895 0.199 1.00 0.00 C ATOM 954 O PHE A 73 -7.451 -10.505 -0.963 1.00 0.00 O ATOM 955 CB PHE A 73 -5.569 -10.342 1.643 1.00 0.00 C ATOM 956 CG PHE A 73 -4.712 -9.505 0.723 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.311 -8.596 -0.157 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.319 -9.638 0.752 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.516 -7.819 -1.008 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.524 -8.861 -0.100 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.123 -7.952 -0.980 1.00 0.00 C ATOM 0 H PHE A 73 -5.761 -12.058 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.675 -12.175 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.283 -9.694 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -4.937 -10.784 2.413 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.386 -8.494 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.857 -10.339 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.978 -7.117 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.449 -8.963 -0.078 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.510 -7.353 -1.637 1.00 0.00 H new ATOM 971 N GLU A 74 -8.688 -10.856 0.886 1.00 0.00 N ATOM 972 CA GLU A 74 -9.911 -10.345 0.302 1.00 0.00 C ATOM 973 C GLU A 74 -9.673 -8.954 -0.268 1.00 0.00 C ATOM 974 O GLU A 74 -9.388 -8.016 0.473 1.00 0.00 O ATOM 975 CB GLU A 74 -11.006 -10.313 1.365 1.00 0.00 C ATOM 976 CG GLU A 74 -10.451 -9.704 2.649 1.00 0.00 C ATOM 977 CD GLU A 74 -10.454 -10.723 3.779 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.490 -11.408 3.923 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.421 -10.798 4.478 1.00 0.00 O ATOM 0 H GLU A 74 -8.784 -11.175 1.850 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.229 -10.998 -0.511 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.855 -9.729 1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.371 -11.322 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.435 -9.348 2.478 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.049 -8.838 2.933 1.00 0.00 H new ATOM 986 N GLY A 75 -9.790 -8.821 -1.592 1.00 0.00 N ATOM 987 CA GLY A 75 -9.587 -7.546 -2.250 1.00 0.00 C ATOM 988 C GLY A 75 -10.787 -6.638 -2.022 1.00 0.00 C ATOM 989 O GLY A 75 -11.772 -6.711 -2.753 1.00 0.00 O ATOM 0 H GLY A 75 -10.025 -9.588 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.684 -7.071 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.437 -7.700 -3.319 1.00 0.00 H new ATOM 993 N PHE A 76 -10.703 -5.779 -1.003 1.00 0.00 N ATOM 994 CA PHE A 76 -11.781 -4.864 -0.686 1.00 0.00 C ATOM 995 C PHE A 76 -11.687 -3.629 -1.571 1.00 0.00 C ATOM 996 O PHE A 76 -10.888 -2.733 -1.307 1.00 0.00 O ATOM 997 CB PHE A 76 -11.704 -4.480 0.789 1.00 0.00 C ATOM 998 CG PHE A 76 -12.816 -5.068 1.624 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.111 -4.543 1.535 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.552 -6.137 2.489 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.142 -5.086 2.310 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.584 -6.680 3.264 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.878 -6.155 3.175 1.00 0.00 C ATOM 0 H PHE A 76 -9.893 -5.705 -0.387 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.740 -5.347 -0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.746 -4.808 1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.731 -3.394 0.875 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.314 -3.718 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.553 -6.542 2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.141 -4.681 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.381 -7.505 3.931 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.673 -6.574 3.774 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.506 -3.582 -2.624 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.511 -2.460 -3.541 1.00 0.00 C ATOM 1015 C LEU A 77 -12.715 -1.164 -2.769 1.00 0.00 C ATOM 1016 O LEU A 77 -13.519 -1.111 -1.841 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.617 -2.653 -4.575 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.153 -1.292 -5.007 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.074 -0.544 -5.786 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.379 -1.486 -5.894 1.00 0.00 C ATOM 0 H LEU A 77 -13.175 -4.316 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.553 -2.405 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.231 -3.195 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.422 -3.256 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.431 -0.714 -4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.457 0.429 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.198 -0.405 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.796 -1.121 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.762 -0.513 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.102 -2.064 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.150 -2.020 -5.338 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.984 -0.116 -3.156 1.00 0.00 N ATOM 1033 CA PHE A 78 -12.091 1.172 -2.499 1.00 0.00 C ATOM 1034 C PHE A 78 -13.556 1.551 -2.340 1.00 0.00 C ATOM 1035 O PHE A 78 -13.957 2.064 -1.298 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.345 2.222 -3.318 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.994 2.582 -2.748 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.923 1.689 -2.867 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.811 3.812 -2.104 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.669 2.024 -2.340 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.558 4.147 -1.578 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.487 3.253 -1.696 1.00 0.00 C ATOM 0 H PHE A 78 -11.313 -0.143 -3.923 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.642 1.118 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.215 1.853 -4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.955 3.123 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.063 0.741 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.637 4.502 -2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.843 1.334 -2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.417 5.095 -1.081 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.520 3.512 -1.290 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.356 1.298 -3.379 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.770 1.615 -3.349 1.00 0.00 C ATOM 1054 C ASP A 79 -16.426 0.931 -2.159 1.00 0.00 C ATOM 1055 O ASP A 79 -17.528 1.299 -1.759 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.418 1.166 -4.656 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.567 2.087 -5.038 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.285 3.285 -5.259 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -18.707 1.577 -5.101 1.00 0.00 O ATOM 0 H ASP A 79 -14.039 0.873 -4.250 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.904 2.692 -3.243 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.673 1.158 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.785 0.145 -4.553 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.746 -0.068 -1.591 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.270 -0.793 -0.451 1.00 0.00 C ATOM 1066 C GLY A 80 -16.970 -2.064 -0.911 1.00 0.00 C ATOM 1067 O GLY A 80 -17.887 -2.546 -0.249 1.00 0.00 O ATOM 0 H GLY A 80 -14.831 -0.387 -1.909 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.460 -1.043 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.969 -0.163 0.099 1.00 0.00 H new ATOM 1071 N THR A 81 -16.537 -2.608 -2.051 1.00 0.00 N ATOM 1072 CA THR A 81 -17.124 -3.818 -2.589 1.00 0.00 C ATOM 1073 C THR A 81 -16.137 -4.970 -2.474 1.00 0.00 C ATOM 1074 O THR A 81 -14.937 -4.785 -2.669 1.00 0.00 O ATOM 1075 CB THR A 81 -17.517 -3.586 -4.046 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.628 -2.720 -4.100 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.880 -4.920 -4.693 1.00 0.00 C ATOM 0 H THR A 81 -15.779 -2.222 -2.614 1.00 0.00 H new ATOM 0 HA THR A 81 -18.017 -4.076 -2.020 1.00 0.00 H new ATOM 0 HB THR A 81 -16.680 -3.138 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.880 -2.569 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.161 -4.755 -5.733 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.022 -5.590 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.717 -5.368 -4.158 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.645 -6.162 -2.155 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.808 -7.337 -2.015 1.00 0.00 C ATOM 1087 C ARG A 82 -15.461 -7.891 -3.389 1.00 0.00 C ATOM 1088 O ARG A 82 -16.223 -8.671 -3.957 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.540 -8.384 -1.180 1.00 0.00 C ATOM 1090 CG ARG A 82 -15.549 -9.074 -0.246 1.00 0.00 C ATOM 1091 CD ARG A 82 -15.985 -10.518 -0.018 1.00 0.00 C ATOM 1092 NE ARG A 82 -16.756 -10.644 1.219 1.00 0.00 N ATOM 1093 CZ ARG A 82 -17.007 -11.825 1.800 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -16.544 -12.956 1.249 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -17.721 -11.877 2.933 1.00 0.00 N ATOM 0 H ARG A 82 -17.637 -6.331 -1.990 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.881 -7.069 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -17.334 -7.913 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -17.014 -9.118 -1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.548 -9.049 -0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.499 -8.544 0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.586 -10.858 -0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.108 -11.163 0.029 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.118 -9.797 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.000 -12.918 0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.735 -13.855 1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.074 -11.017 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.912 -12.776 3.375 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.308 -7.486 -3.925 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.870 -7.946 -5.228 1.00 0.00 C ATOM 1111 C TRP A 83 -13.666 -9.454 -5.202 1.00 0.00 C ATOM 1112 O TRP A 83 -14.273 -10.179 -5.988 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.578 -7.232 -5.611 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.400 -6.994 -7.076 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.459 -7.573 -7.853 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.167 -6.122 -7.962 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.589 -7.122 -9.150 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.629 -6.223 -9.274 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -14.261 -5.256 -7.792 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -13.146 -5.506 -10.356 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.788 -4.532 -8.871 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.235 -4.654 -10.151 1.00 0.00 C ATOM 0 H TRP A 83 -13.665 -6.839 -3.469 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.631 -7.716 -5.973 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.544 -6.272 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.734 -7.819 -5.248 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.718 -8.281 -7.511 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.991 -7.416 -9.922 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.704 -5.146 -6.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.710 -5.609 -11.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.629 -3.873 -8.713 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.648 -4.093 -10.976 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.808 -9.927 -4.295 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.532 -11.345 -4.176 1.00 0.00 C ATOM 1135 C GLY A 84 -11.135 -11.564 -3.611 1.00 0.00 C ATOM 1136 O GLY A 84 -10.345 -10.627 -3.519 1.00 0.00 O ATOM 0 H GLY A 84 -12.296 -9.341 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.272 -11.814 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.616 -11.822 -5.152 1.00 0.00 H new ATOM 1140 N THR A 85 -10.831 -12.808 -3.232 1.00 0.00 N ATOM 1141 CA THR A 85 -9.533 -13.140 -2.680 1.00 0.00 C ATOM 1142 C THR A 85 -8.442 -12.812 -3.689 1.00 0.00 C ATOM 1143 O THR A 85 -8.302 -13.494 -4.701 1.00 0.00 O ATOM 1144 CB THR A 85 -9.501 -14.620 -2.312 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.815 -15.072 -2.069 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.656 -14.815 -1.057 1.00 0.00 C ATOM 0 H THR A 85 -11.474 -13.597 -3.301 1.00 0.00 H new ATOM 0 HA THR A 85 -9.356 -12.551 -1.780 1.00 0.00 H new ATOM 0 HB THR A 85 -9.066 -15.189 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.796 -16.023 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.633 -15.873 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.641 -14.466 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.089 -14.246 -0.234 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.666 -11.762 -3.409 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.592 -11.348 -4.290 1.00 0.00 C ATOM 1156 C VAL A 86 -5.381 -12.247 -4.082 1.00 0.00 C ATOM 1157 O VAL A 86 -5.205 -12.816 -3.008 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.238 -9.890 -4.009 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -4.778 -9.641 -4.375 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.134 -8.980 -4.844 1.00 0.00 C ATOM 0 H VAL A 86 -7.769 -11.186 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.912 -11.436 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.388 -9.677 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.525 -8.600 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.138 -10.291 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.627 -9.854 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.882 -7.939 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.984 -9.193 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.177 -9.157 -4.583 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.545 -12.373 -5.116 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.358 -13.201 -5.042 1.00 0.00 C ATOM 1172 C ASP A 87 -2.149 -12.410 -5.521 1.00 0.00 C ATOM 1173 O ASP A 87 -1.906 -12.312 -6.721 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.558 -14.452 -5.892 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.101 -15.599 -5.051 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.082 -15.452 -3.810 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.525 -16.602 -5.666 1.00 0.00 O ATOM 0 H ASP A 87 -4.677 -11.907 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.184 -13.504 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.248 -14.236 -6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.610 -14.744 -6.345 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.391 -11.846 -4.578 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.213 -11.068 -4.907 1.00 0.00 C ATOM 1184 C CYS A 88 0.704 -11.881 -5.811 1.00 0.00 C ATOM 1185 O CYS A 88 1.450 -11.317 -6.608 1.00 0.00 O ATOM 1186 CB CYS A 88 0.508 -10.670 -3.623 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.383 -9.449 -2.627 1.00 0.00 S ATOM 0 H CYS A 88 -1.580 -11.919 -3.578 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.506 -10.163 -5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.675 -11.563 -3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.489 -10.269 -3.878 1.00 0.00 H new ATOM 1192 N THR A 89 0.646 -13.208 -5.687 1.00 0.00 N ATOM 1193 CA THR A 89 1.470 -14.085 -6.493 1.00 0.00 C ATOM 1194 C THR A 89 0.880 -14.212 -7.890 1.00 0.00 C ATOM 1195 O THR A 89 1.433 -14.907 -8.740 1.00 0.00 O ATOM 1196 CB THR A 89 1.567 -15.452 -5.821 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.297 -16.063 -5.814 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.057 -15.279 -4.386 1.00 0.00 C ATOM 0 H THR A 89 0.032 -13.692 -5.032 1.00 0.00 H new ATOM 0 HA THR A 89 2.472 -13.666 -6.581 1.00 0.00 H new ATOM 0 HB THR A 89 2.268 -16.079 -6.371 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.359 -16.942 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.127 -16.255 -3.905 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.039 -14.806 -4.391 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.356 -14.652 -3.835 1.00 0.00 H new ATOM 1206 N THR A 90 -0.248 -13.538 -8.127 1.00 0.00 N ATOM 1207 CA THR A 90 -0.903 -13.580 -9.418 1.00 0.00 C ATOM 1208 C THR A 90 -0.961 -12.182 -10.017 1.00 0.00 C ATOM 1209 O THR A 90 -0.981 -12.026 -11.236 1.00 0.00 O ATOM 1210 CB THR A 90 -2.307 -14.157 -9.257 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.254 -15.561 -9.372 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.218 -13.592 -10.343 1.00 0.00 C ATOM 0 H THR A 90 -0.721 -12.958 -7.434 1.00 0.00 H new ATOM 0 HA THR A 90 -0.336 -14.219 -10.095 1.00 0.00 H new ATOM 0 HB THR A 90 -2.700 -13.887 -8.277 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.155 -15.932 -9.267 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.220 -14.004 -10.228 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.260 -12.506 -10.255 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.825 -13.861 -11.324 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.987 -11.164 -9.154 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.042 -9.786 -9.600 1.00 0.00 C ATOM 1222 C ALA A 91 0.024 -8.970 -8.884 1.00 0.00 C ATOM 1223 O ALA A 91 0.851 -9.522 -8.162 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.432 -9.219 -9.325 1.00 0.00 C ATOM 0 H ALA A 91 -0.970 -11.277 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.849 -9.738 -10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.475 -8.183 -9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.177 -9.805 -9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.638 -9.264 -8.256 1.00 0.00 H new ATOM 1230 N ALA A 92 0.005 -7.650 -9.087 1.00 0.00 N ATOM 1231 CA ALA A 92 0.968 -6.766 -8.463 1.00 0.00 C ATOM 1232 C ALA A 92 0.325 -6.053 -7.282 1.00 0.00 C ATOM 1233 O ALA A 92 -0.714 -5.414 -7.432 1.00 0.00 O ATOM 1234 CB ALA A 92 1.475 -5.760 -9.492 1.00 0.00 C ATOM 0 H ALA A 92 -0.674 -7.177 -9.683 1.00 0.00 H new ATOM 0 HA ALA A 92 1.814 -7.346 -8.094 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.200 -5.094 -9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.950 -6.291 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.638 -5.175 -9.872 1.00 0.00 H new ATOM 1240 N CYS A 93 0.946 -6.165 -6.106 1.00 0.00 N ATOM 1241 CA CYS A 93 0.433 -5.532 -4.907 1.00 0.00 C ATOM 1242 C CYS A 93 1.258 -4.295 -4.584 1.00 0.00 C ATOM 1243 O CYS A 93 2.389 -4.163 -5.047 1.00 0.00 O ATOM 1244 CB CYS A 93 0.475 -6.527 -3.750 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.816 -7.794 -3.824 1.00 0.00 S ATOM 0 H CYS A 93 1.808 -6.692 -5.967 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.600 -5.224 -5.067 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.449 -7.015 -3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.381 -5.981 -2.811 1.00 0.00 H new ATOM 1250 N GLN A 94 0.690 -3.387 -3.788 1.00 0.00 N ATOM 1251 CA GLN A 94 1.375 -2.167 -3.410 1.00 0.00 C ATOM 1252 C GLN A 94 0.813 -1.646 -2.094 1.00 0.00 C ATOM 1253 O GLN A 94 -0.381 -1.772 -1.833 1.00 0.00 O ATOM 1254 CB GLN A 94 1.210 -1.129 -4.517 1.00 0.00 C ATOM 1255 CG GLN A 94 0.097 -0.155 -4.140 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.536 0.453 -5.384 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.159 0.114 -6.503 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.500 1.354 -5.185 1.00 0.00 N ATOM 0 H GLN A 94 -0.247 -3.482 -3.396 1.00 0.00 H new ATOM 0 HA GLN A 94 2.437 -2.369 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.145 -0.589 -4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.973 -1.622 -5.460 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.664 -0.674 -3.556 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.499 0.636 -3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.778 1.602 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.959 1.794 -5.982 1.00 0.00 H new ATOM 1267 N VAL A 95 1.680 -1.058 -1.265 1.00 0.00 N ATOM 1268 CA VAL A 95 1.268 -0.522 0.016 1.00 0.00 C ATOM 1269 C VAL A 95 1.327 0.999 -0.019 1.00 0.00 C ATOM 1270 O VAL A 95 2.040 1.575 -0.838 1.00 0.00 O ATOM 1271 CB VAL A 95 2.175 -1.073 1.113 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.164 -0.124 2.308 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.670 -2.445 1.549 1.00 0.00 C ATOM 0 H VAL A 95 2.673 -0.945 -1.468 1.00 0.00 H new ATOM 0 HA VAL A 95 0.242 -0.822 0.227 1.00 0.00 H new ATOM 0 HB VAL A 95 3.192 -1.164 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.812 -0.518 3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.525 0.856 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.147 -0.032 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.317 -2.839 2.332 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.653 -2.354 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.678 -3.124 0.696 1.00 0.00 H new ATOM 1283 N GLY A 96 0.575 1.649 0.871 1.00 0.00 N ATOM 1284 CA GLY A 96 0.549 3.097 0.933 1.00 0.00 C ATOM 1285 C GLY A 96 -0.342 3.561 2.076 1.00 0.00 C ATOM 1286 O GLY A 96 -1.078 2.765 2.655 1.00 0.00 O ATOM 0 H GLY A 96 -0.023 1.187 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.560 3.480 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.182 3.502 -0.010 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.275 4.855 2.400 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.073 5.418 3.470 1.00 0.00 C ATOM 1292 C LEU A 97 -1.877 6.600 2.948 1.00 0.00 C ATOM 1293 O LEU A 97 -1.372 7.398 2.161 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.159 5.849 4.613 1.00 0.00 C ATOM 1295 CG LEU A 97 0.832 6.893 4.105 1.00 0.00 C ATOM 1296 CD1 LEU A 97 1.029 7.968 5.170 1.00 0.00 C ATOM 1297 CD2 LEU A 97 2.169 6.222 3.806 1.00 0.00 C ATOM 0 H LEU A 97 0.330 5.528 1.929 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.769 4.667 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.751 6.261 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.376 4.986 5.010 1.00 0.00 H new ATOM 0 HG LEU A 97 0.444 7.350 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.737 8.714 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.074 8.448 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.417 7.511 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.877 6.967 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.558 5.765 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.029 5.454 3.045 1.00 0.00 H new ATOM 1309 N SER A 98 -3.133 6.711 3.388 1.00 0.00 N ATOM 1310 CA SER A 98 -3.997 7.794 2.964 1.00 0.00 C ATOM 1311 C SER A 98 -4.489 8.568 4.179 1.00 0.00 C ATOM 1312 O SER A 98 -4.653 7.999 5.256 1.00 0.00 O ATOM 1313 CB SER A 98 -5.172 7.226 2.173 1.00 0.00 C ATOM 1314 OG SER A 98 -6.003 6.482 3.036 1.00 0.00 O ATOM 0 H SER A 98 -3.567 6.057 4.040 1.00 0.00 H new ATOM 0 HA SER A 98 -3.441 8.478 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.739 8.035 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.808 6.592 1.365 1.00 0.00 H new ATOM 0 HG SER A 98 -6.759 6.118 2.529 1.00 0.00 H new ATOM 1320 N ASP A 99 -4.725 9.870 4.003 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.196 10.714 5.083 1.00 0.00 C ATOM 1322 C ASP A 99 -6.658 11.074 4.855 1.00 0.00 C ATOM 1323 O ASP A 99 -7.348 10.413 4.083 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.335 11.972 5.157 1.00 0.00 C ATOM 1325 CG ASP A 99 -4.888 13.064 4.254 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -4.617 12.986 3.036 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.573 13.958 4.798 1.00 0.00 O ATOM 0 H ASP A 99 -4.594 10.356 3.116 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.117 10.179 6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.296 12.331 6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.312 11.735 4.863 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.128 12.126 5.530 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.502 12.566 5.399 1.00 0.00 C ATOM 1334 C ALA A 100 -8.730 13.138 4.007 1.00 0.00 C ATOM 1335 O ALA A 100 -9.703 12.790 3.343 1.00 0.00 O ATOM 1336 CB ALA A 100 -8.804 13.611 6.469 1.00 0.00 C ATOM 0 H ALA A 100 -6.567 12.685 6.173 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.174 11.719 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.838 13.943 6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.655 13.174 7.456 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.136 14.463 6.344 1.00 0.00 H new ATOM 1342 N ALA A 101 -7.827 14.018 3.567 1.00 0.00 N ATOM 1343 CA ALA A 101 -7.935 14.633 2.259 1.00 0.00 C ATOM 1344 C ALA A 101 -7.746 13.580 1.177 1.00 0.00 C ATOM 1345 O ALA A 101 -8.207 13.755 0.051 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.888 15.736 2.130 1.00 0.00 C ATOM 0 H ALA A 101 -7.014 14.316 4.106 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.925 15.073 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.967 16.200 1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.055 16.488 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.893 15.309 2.250 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.064 12.484 1.518 1.00 0.00 N ATOM 1353 CA GLY A 102 -6.821 11.414 0.572 1.00 0.00 C ATOM 1354 C GLY A 102 -5.484 11.622 -0.127 1.00 0.00 C ATOM 1355 O GLY A 102 -5.414 11.610 -1.354 1.00 0.00 O ATOM 0 H GLY A 102 -6.673 12.322 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.824 10.454 1.089 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.623 11.381 -0.165 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.422 11.813 0.659 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.096 12.021 0.112 1.00 0.00 C ATOM 1361 C ASN A 103 -2.104 11.082 0.783 1.00 0.00 C ATOM 1362 O ASN A 103 -2.407 10.491 1.817 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.686 13.477 0.317 1.00 0.00 C ATOM 1364 CG ASN A 103 -1.779 13.620 1.530 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -0.682 14.163 1.426 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -2.241 13.132 2.684 1.00 0.00 N ATOM 0 H ASN A 103 -4.464 11.826 1.678 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.102 11.804 -0.956 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.172 13.843 -0.572 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.575 14.094 0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.676 13.202 3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.159 12.690 2.719 1.00 0.00 H new ATOM 1373 N GLY A 104 -0.914 10.946 0.192 1.00 0.00 N ATOM 1374 CA GLY A 104 0.112 10.081 0.739 1.00 0.00 C ATOM 1375 C GLY A 104 1.418 10.268 -0.020 1.00 0.00 C ATOM 1376 O GLY A 104 1.478 11.034 -0.979 1.00 0.00 O ATOM 0 H GLY A 104 -0.646 11.428 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.262 10.305 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.208 9.041 0.676 1.00 0.00 H new ATOM 1380 N PRO A 105 2.467 9.565 0.413 1.00 0.00 N ATOM 1381 CA PRO A 105 3.785 9.613 -0.183 1.00 0.00 C ATOM 1382 C PRO A 105 3.765 8.892 -1.523 1.00 0.00 C ATOM 1383 O PRO A 105 2.864 8.101 -1.792 1.00 0.00 O ATOM 1384 CB PRO A 105 4.692 8.893 0.813 1.00 0.00 C ATOM 1385 CG PRO A 105 3.747 7.883 1.462 1.00 0.00 C ATOM 1386 CD PRO A 105 2.432 8.655 1.538 1.00 0.00 C ATOM 0 HA PRO A 105 4.128 10.630 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.529 8.403 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.114 9.581 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.651 6.977 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.095 7.578 2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.576 7.983 1.476 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.345 9.196 2.481 1.00 0.00 H new ATOM 1394 N GLU A 106 4.763 9.169 -2.367 1.00 0.00 N ATOM 1395 CA GLU A 106 4.852 8.546 -3.672 1.00 0.00 C ATOM 1396 C GLU A 106 4.379 7.101 -3.591 1.00 0.00 C ATOM 1397 O GLU A 106 4.838 6.342 -2.740 1.00 0.00 O ATOM 1398 CB GLU A 106 6.292 8.616 -4.170 1.00 0.00 C ATOM 1399 CG GLU A 106 7.243 8.264 -3.030 1.00 0.00 C ATOM 1400 CD GLU A 106 8.657 8.045 -3.550 1.00 0.00 C ATOM 1401 OE1 GLU A 106 9.275 9.054 -3.954 1.00 0.00 O ATOM 1402 OE2 GLU A 106 9.093 6.874 -3.533 1.00 0.00 O ATOM 0 H GLU A 106 5.518 9.823 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 106 4.211 9.077 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.434 7.926 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.510 9.616 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.243 9.065 -2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.894 7.364 -2.524 1.00 0.00 H new ATOM 1409 N GLY A 107 3.460 6.721 -4.481 1.00 0.00 N ATOM 1410 CA GLY A 107 2.934 5.371 -4.503 1.00 0.00 C ATOM 1411 C GLY A 107 4.070 4.361 -4.417 1.00 0.00 C ATOM 1412 O GLY A 107 5.180 4.631 -4.870 1.00 0.00 O ATOM 0 H GLY A 107 3.069 7.337 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.247 5.227 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.364 5.210 -5.418 1.00 0.00 H new ATOM 1416 N VAL A 108 3.789 3.194 -3.833 1.00 0.00 N ATOM 1417 CA VAL A 108 4.785 2.151 -3.690 1.00 0.00 C ATOM 1418 C VAL A 108 4.258 0.852 -4.283 1.00 0.00 C ATOM 1419 O VAL A 108 3.288 0.287 -3.782 1.00 0.00 O ATOM 1420 CB VAL A 108 5.125 1.973 -2.213 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.674 0.568 -1.983 1.00 0.00 C ATOM 1422 CG2 VAL A 108 6.176 3.002 -1.806 1.00 0.00 C ATOM 0 H VAL A 108 2.873 2.955 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 108 5.692 2.431 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 108 4.226 2.114 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.917 0.440 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.924 -0.168 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.573 0.426 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.420 2.876 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.075 2.860 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.785 4.006 -1.970 1.00 0.00 H new ATOM 1432 N ALA A 109 4.902 0.378 -5.353 1.00 0.00 N ATOM 1433 CA ALA A 109 4.496 -0.849 -6.008 1.00 0.00 C ATOM 1434 C ALA A 109 5.282 -2.021 -5.438 1.00 0.00 C ATOM 1435 O ALA A 109 6.459 -1.882 -5.113 1.00 0.00 O ATOM 1436 CB ALA A 109 4.726 -0.722 -7.511 1.00 0.00 C ATOM 0 H ALA A 109 5.709 0.834 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 109 3.436 -1.028 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.421 -1.645 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.138 0.109 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.783 -0.540 -7.703 1.00 0.00 H new ATOM 1442 N ILE A 110 4.628 -3.179 -5.319 1.00 0.00 N ATOM 1443 CA ILE A 110 5.266 -4.369 -4.792 1.00 0.00 C ATOM 1444 C ILE A 110 5.478 -5.378 -5.911 1.00 0.00 C ATOM 1445 O ILE A 110 4.941 -5.216 -7.005 1.00 0.00 O ATOM 1446 CB ILE A 110 4.400 -4.962 -3.684 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.649 -3.842 -2.970 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.287 -5.699 -2.685 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.049 -4.378 -1.673 1.00 0.00 C ATOM 0 H ILE A 110 3.652 -3.309 -5.584 1.00 0.00 H new ATOM 0 HA ILE A 110 6.239 -4.111 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 110 3.683 -5.660 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.326 -3.015 -2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.861 -3.450 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.669 -6.123 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.822 -6.500 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.004 -5.002 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.512 -3.578 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.359 -5.191 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.847 -4.748 -1.029 1.00 0.00 H new ATOM 1461 N SER A 111 6.263 -6.422 -5.636 1.00 0.00 N ATOM 1462 CA SER A 111 6.539 -7.450 -6.620 1.00 0.00 C ATOM 1463 C SER A 111 6.900 -8.752 -5.919 1.00 0.00 C ATOM 1464 O SER A 111 7.858 -8.802 -5.151 1.00 0.00 O ATOM 1465 CB SER A 111 7.677 -6.991 -7.528 1.00 0.00 C ATOM 1466 OG SER A 111 8.395 -8.115 -7.985 1.00 0.00 O ATOM 0 H SER A 111 6.716 -6.571 -4.734 1.00 0.00 H new ATOM 0 HA SER A 111 5.652 -7.623 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.278 -6.432 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.341 -6.318 -6.985 1.00 0.00 H new ATOM 0 HG SER A 111 9.125 -7.821 -8.569 1.00 0.00 H new ATOM 1472 N PHE A 112 6.130 -9.809 -6.187 1.00 0.00 N ATOM 1473 CA PHE A 112 6.374 -11.103 -5.582 1.00 0.00 C ATOM 1474 C PHE A 112 7.223 -11.957 -6.514 1.00 0.00 C ATOM 1475 O PHE A 112 6.910 -12.090 -7.695 1.00 0.00 O ATOM 1476 CB PHE A 112 5.040 -11.785 -5.289 1.00 0.00 C ATOM 1477 CG PHE A 112 4.389 -11.310 -4.012 1.00 0.00 C ATOM 1478 CD1 PHE A 112 4.010 -9.969 -3.877 1.00 0.00 C ATOM 1479 CD2 PHE A 112 4.165 -12.209 -2.963 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.408 -9.527 -2.693 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.563 -11.768 -1.779 1.00 0.00 C ATOM 1482 CZ PHE A 112 3.184 -10.427 -1.644 1.00 0.00 C ATOM 0 H PHE A 112 5.332 -9.785 -6.822 1.00 0.00 H new ATOM 0 HA PHE A 112 6.916 -10.975 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.360 -11.608 -6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.197 -12.862 -5.229 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.182 -9.275 -4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.457 -13.244 -3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.116 -8.492 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.391 -12.462 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.719 -10.087 -0.731 1.00 0.00 H new ATOM 1492 N ASN A 113 8.301 -12.535 -5.979 1.00 0.00 N ATOM 1493 CA ASN A 113 9.186 -13.371 -6.764 1.00 0.00 C ATOM 1494 C ASN A 113 9.426 -12.737 -8.127 1.00 0.00 C ATOM 1495 O ASN A 113 9.321 -11.522 -8.276 1.00 0.00 O ATOM 1496 CB ASN A 113 8.571 -14.760 -6.916 1.00 0.00 C ATOM 1497 CG ASN A 113 7.304 -14.704 -7.757 1.00 0.00 C ATOM 1498 OD1 ASN A 113 7.363 -14.822 -8.979 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.156 -14.525 -7.100 1.00 0.00 N ATOM 0 H ASN A 113 8.575 -12.433 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 113 10.146 -13.465 -6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.292 -15.432 -7.381 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.342 -15.170 -5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.276 -14.481 -7.614 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.159 -14.432 -6.084 1.00 0.00 H new TER 1506 ASN A 113