USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 584 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 14 CYS SG : rot 156:sc= -1.65 USER MOD Set 1.2: A 78 ASN :FLIP amide:sc= -2.22! C(o=-6.3!,f=-3.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.64) USER MOD Single : A 11 GLN : amide:sc= -0.615 K(o=-0.62,f=-4.6!) USER MOD Single : A 12 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.81) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -32:sc= 0.564 USER MOD Single : A 19 THR OG1 : rot -140:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 76:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.53) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0.241 K(o=0.24,f=-1.5!) USER MOD Single : A 42 THR OG1 : rot -41:sc= -2.77! USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= -1.74 (180deg=-1.84) USER MOD Single : A 56 CYS SG : rot 32:sc= -0.836 USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0618 (180deg=-0.507) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0145 (180deg=-0.339) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.17) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 1.02 (180deg=0.83) USER MOD Single : A 67 MET CE :methyl -154:sc= -0.224 (180deg=-1.28!) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.0319 (180deg=-0.463) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 6 -21.525 -1.868 12.159 1.00 0.00 N ATOM 58 CA PRO A 6 -22.421 -2.422 11.097 1.00 0.00 C ATOM 59 C PRO A 6 -23.901 -2.208 11.418 1.00 0.00 C ATOM 60 O PRO A 6 -24.337 -2.366 12.559 1.00 0.00 O ATOM 61 CB PRO A 6 -22.058 -3.915 11.087 1.00 0.00 C ATOM 62 CG PRO A 6 -21.610 -4.199 12.482 1.00 0.00 C ATOM 63 CD PRO A 6 -20.891 -2.944 12.948 1.00 0.00 C ATOM 0 HA PRO A 6 -22.281 -1.935 10.132 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -22.915 -4.530 10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -21.269 -4.127 10.366 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -22.459 -4.426 13.127 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -20.947 -5.064 12.512 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -21.017 -2.784 14.019 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.819 -3.002 12.758 1.00 0.00 H new ATOM 71 N ILE A 7 -24.672 -1.871 10.396 1.00 0.00 N ATOM 72 CA ILE A 7 -26.102 -1.649 10.568 1.00 0.00 C ATOM 73 C ILE A 7 -26.801 -2.956 10.907 1.00 0.00 C ATOM 74 O ILE A 7 -27.913 -2.959 11.434 1.00 0.00 O ATOM 75 CB ILE A 7 -26.707 -1.059 9.296 1.00 0.00 C ATOM 76 CG1 ILE A 7 -26.163 0.354 9.084 1.00 0.00 C ATOM 77 CG2 ILE A 7 -28.230 -0.999 9.428 1.00 0.00 C ATOM 78 CD1 ILE A 7 -24.672 0.303 8.698 1.00 0.00 C ATOM 0 H ILE A 7 -24.335 -1.745 9.442 1.00 0.00 H new ATOM 0 HA ILE A 7 -26.243 -0.945 11.388 1.00 0.00 H new ATOM 0 HB ILE A 7 -26.442 -1.688 8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -26.731 0.856 8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -26.290 0.940 9.994 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -28.658 -0.577 8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -28.622 -2.005 9.581 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -28.497 -0.372 10.279 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.299 1.317 8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.106 -0.179 9.495 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -24.554 -0.265 7.775 1.00 0.00 H new ATOM 90 N SER A 8 -26.146 -4.070 10.597 1.00 0.00 N ATOM 91 CA SER A 8 -26.725 -5.376 10.864 1.00 0.00 C ATOM 92 C SER A 8 -27.250 -5.430 12.289 1.00 0.00 C ATOM 93 O SER A 8 -28.263 -6.078 12.557 1.00 0.00 O ATOM 94 CB SER A 8 -25.669 -6.462 10.667 1.00 0.00 C ATOM 95 OG SER A 8 -26.252 -7.739 10.895 1.00 0.00 O ATOM 0 H SER A 8 -25.222 -4.093 10.165 1.00 0.00 H new ATOM 0 HA SER A 8 -27.550 -5.545 10.171 1.00 0.00 H new ATOM 0 HB2 SER A 8 -25.264 -6.411 9.656 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.837 -6.303 11.353 1.00 0.00 H new ATOM 0 HG SER A 8 -25.575 -8.435 10.767 1.00 0.00 H new ATOM 101 N GLN A 9 -26.582 -4.727 13.197 1.00 0.00 N ATOM 102 CA GLN A 9 -27.027 -4.710 14.591 1.00 0.00 C ATOM 103 C GLN A 9 -28.433 -4.134 14.699 1.00 0.00 C ATOM 104 O GLN A 9 -29.281 -4.679 15.399 1.00 0.00 O ATOM 105 CB GLN A 9 -26.060 -3.870 15.422 1.00 0.00 C ATOM 106 CG GLN A 9 -24.730 -4.612 15.566 1.00 0.00 C ATOM 107 CD GLN A 9 -24.914 -5.866 16.420 1.00 0.00 C ATOM 108 OE1 GLN A 9 -25.544 -5.810 17.476 1.00 0.00 O ATOM 109 NE2 GLN A 9 -24.404 -6.998 16.022 1.00 0.00 N ATOM 0 H GLN A 9 -25.749 -4.172 13.003 1.00 0.00 H new ATOM 0 HA GLN A 9 -27.043 -5.733 14.967 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -25.899 -2.903 14.945 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -26.486 -3.673 16.406 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -24.350 -4.886 14.582 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -23.988 -3.958 16.023 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -23.882 -7.043 15.147 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -24.527 -7.839 16.586 1.00 0.00 H new ATOM 118 N LEU A 10 -28.675 -3.040 13.995 1.00 0.00 N ATOM 119 CA LEU A 10 -29.991 -2.417 14.002 1.00 0.00 C ATOM 120 C LEU A 10 -30.977 -3.250 13.178 1.00 0.00 C ATOM 121 O LEU A 10 -32.151 -3.392 13.531 1.00 0.00 O ATOM 122 CB LEU A 10 -29.901 -0.988 13.439 1.00 0.00 C ATOM 123 CG LEU A 10 -30.927 -0.088 14.142 1.00 0.00 C ATOM 124 CD1 LEU A 10 -30.865 1.317 13.545 1.00 0.00 C ATOM 125 CD2 LEU A 10 -32.337 -0.668 13.965 1.00 0.00 C ATOM 0 H LEU A 10 -27.983 -2.566 13.414 1.00 0.00 H new ATOM 0 HA LEU A 10 -30.351 -2.368 15.030 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -28.896 -0.592 13.585 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -30.087 -0.998 12.365 1.00 0.00 H new ATOM 0 HG LEU A 10 -30.695 -0.039 15.206 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -31.593 1.957 14.044 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -29.865 1.728 13.685 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -31.092 1.270 12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -33.061 -0.025 14.466 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -32.576 -0.725 12.903 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -32.377 -1.667 14.400 1.00 0.00 H new ATOM 137 N GLN A 11 -30.489 -3.777 12.060 1.00 0.00 N ATOM 138 CA GLN A 11 -31.332 -4.575 11.172 1.00 0.00 C ATOM 139 C GLN A 11 -31.945 -5.748 11.929 1.00 0.00 C ATOM 140 O GLN A 11 -32.993 -6.268 11.544 1.00 0.00 O ATOM 141 CB GLN A 11 -30.516 -5.101 9.995 1.00 0.00 C ATOM 142 CG GLN A 11 -31.452 -5.732 8.963 1.00 0.00 C ATOM 143 CD GLN A 11 -30.647 -6.243 7.774 1.00 0.00 C ATOM 144 OE1 GLN A 11 -30.849 -5.797 6.647 1.00 0.00 O ATOM 145 NE2 GLN A 11 -29.737 -7.158 7.957 1.00 0.00 N ATOM 0 H GLN A 11 -29.524 -3.669 11.748 1.00 0.00 H new ATOM 0 HA GLN A 11 -32.131 -3.935 10.797 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -29.951 -4.288 9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -29.791 -5.838 10.342 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -32.007 -6.553 9.417 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -32.185 -4.998 8.628 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -29.568 -7.529 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -29.194 -7.503 7.165 1.00 0.00 H new ATOM 154 N GLN A 12 -31.278 -6.170 12.998 1.00 0.00 N ATOM 155 CA GLN A 12 -31.768 -7.299 13.788 1.00 0.00 C ATOM 156 C GLN A 12 -33.214 -7.069 14.206 1.00 0.00 C ATOM 157 O GLN A 12 -34.003 -8.011 14.236 1.00 0.00 O ATOM 158 CB GLN A 12 -30.898 -7.472 15.043 1.00 0.00 C ATOM 159 CG GLN A 12 -29.606 -8.209 14.690 1.00 0.00 C ATOM 160 CD GLN A 12 -29.916 -9.664 14.365 1.00 0.00 C ATOM 161 OE1 GLN A 12 -29.808 -10.080 13.212 1.00 0.00 O ATOM 162 NE2 GLN A 12 -30.307 -10.464 15.317 1.00 0.00 N ATOM 0 H GLN A 12 -30.409 -5.756 13.336 1.00 0.00 H new ATOM 0 HA GLN A 12 -31.714 -8.199 13.176 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -30.664 -6.497 15.470 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -31.448 -8.029 15.802 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -29.125 -7.731 13.837 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -28.906 -8.154 15.523 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -30.395 -10.116 16.272 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -30.525 -11.438 15.107 1.00 0.00 H new ATOM 171 N CYS A 13 -33.554 -5.828 14.516 1.00 0.00 N ATOM 172 CA CYS A 13 -34.916 -5.498 14.921 1.00 0.00 C ATOM 173 C CYS A 13 -35.907 -5.845 13.809 1.00 0.00 C ATOM 174 O CYS A 13 -36.937 -6.470 14.051 1.00 0.00 O ATOM 175 CB CYS A 13 -35.017 -4.010 15.243 1.00 0.00 C ATOM 176 SG CYS A 13 -36.704 -3.624 15.773 1.00 0.00 S ATOM 0 H CYS A 13 -32.912 -5.035 14.496 1.00 0.00 H new ATOM 0 HA CYS A 13 -35.161 -6.082 15.808 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -34.308 -3.747 16.028 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -34.755 -3.418 14.366 1.00 0.00 H new ATOM 0 HG CYS A 13 -36.793 -2.357 16.050 1.00 0.00 H new ATOM 182 N CYS A 14 -35.588 -5.428 12.592 1.00 0.00 N ATOM 183 CA CYS A 14 -36.458 -5.688 11.449 1.00 0.00 C ATOM 184 C CYS A 14 -36.636 -7.186 11.227 1.00 0.00 C ATOM 185 O CYS A 14 -37.730 -7.649 10.900 1.00 0.00 O ATOM 186 CB CYS A 14 -35.877 -5.046 10.190 1.00 0.00 C ATOM 187 SG CYS A 14 -37.013 -5.302 8.806 1.00 0.00 S ATOM 0 H CYS A 14 -34.738 -4.910 12.369 1.00 0.00 H new ATOM 0 HA CYS A 14 -37.434 -5.252 11.661 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -35.718 -3.980 10.352 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -34.904 -5.482 9.962 1.00 0.00 H new ATOM 0 HG CYS A 14 -36.826 -4.375 7.914 1.00 0.00 H new ATOM 193 N LEU A 15 -35.548 -7.934 11.360 1.00 0.00 N ATOM 194 CA LEU A 15 -35.592 -9.374 11.132 1.00 0.00 C ATOM 195 C LEU A 15 -36.521 -10.063 12.124 1.00 0.00 C ATOM 196 O LEU A 15 -37.285 -10.953 11.753 1.00 0.00 O ATOM 197 CB LEU A 15 -34.185 -9.963 11.273 1.00 0.00 C ATOM 198 CG LEU A 15 -33.252 -9.330 10.230 1.00 0.00 C ATOM 199 CD1 LEU A 15 -31.828 -9.863 10.425 1.00 0.00 C ATOM 200 CD2 LEU A 15 -33.742 -9.660 8.808 1.00 0.00 C ATOM 0 H LEU A 15 -34.631 -7.572 11.622 1.00 0.00 H new ATOM 0 HA LEU A 15 -35.972 -9.543 10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -33.802 -9.779 12.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -34.218 -11.044 11.137 1.00 0.00 H new ATOM 0 HG LEU A 15 -33.256 -8.248 10.360 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -31.167 -9.413 9.684 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -31.478 -9.609 11.426 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -31.825 -10.946 10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -33.072 -9.206 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -33.752 -10.741 8.668 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -34.749 -9.267 8.670 1.00 0.00 H new ATOM 212 N THR A 16 -36.443 -9.655 13.385 1.00 0.00 N ATOM 213 CA THR A 16 -37.278 -10.251 14.425 1.00 0.00 C ATOM 214 C THR A 16 -38.651 -9.600 14.449 1.00 0.00 C ATOM 215 O THR A 16 -39.537 -10.019 15.195 1.00 0.00 O ATOM 216 CB THR A 16 -36.605 -10.101 15.788 1.00 0.00 C ATOM 217 OG1 THR A 16 -37.377 -10.771 16.772 1.00 0.00 O ATOM 218 CG2 THR A 16 -36.496 -8.625 16.142 1.00 0.00 C ATOM 0 H THR A 16 -35.816 -8.920 13.712 1.00 0.00 H new ATOM 0 HA THR A 16 -37.401 -11.311 14.202 1.00 0.00 H new ATOM 0 HB THR A 16 -35.607 -10.538 15.751 1.00 0.00 H new ATOM 0 HG1 THR A 16 -38.325 -10.730 16.528 1.00 0.00 H new ATOM 0 HG21 THR A 16 -36.016 -8.519 17.115 1.00 0.00 H new ATOM 0 HG22 THR A 16 -35.901 -8.112 15.386 1.00 0.00 H new ATOM 0 HG23 THR A 16 -37.493 -8.185 16.179 1.00 0.00 H new ATOM 226 N LEU A 17 -38.823 -8.559 13.640 1.00 0.00 N ATOM 227 CA LEU A 17 -40.097 -7.853 13.597 1.00 0.00 C ATOM 228 C LEU A 17 -41.143 -8.670 12.843 1.00 0.00 C ATOM 229 O LEU A 17 -41.222 -8.617 11.617 1.00 0.00 O ATOM 230 CB LEU A 17 -39.918 -6.492 12.904 1.00 0.00 C ATOM 231 CG LEU A 17 -40.991 -5.513 13.377 1.00 0.00 C ATOM 232 CD1 LEU A 17 -40.767 -4.152 12.717 1.00 0.00 C ATOM 233 CD2 LEU A 17 -42.375 -6.050 13.006 1.00 0.00 C ATOM 0 H LEU A 17 -38.107 -8.190 13.014 1.00 0.00 H new ATOM 0 HA LEU A 17 -40.439 -7.702 14.621 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.928 -6.092 13.123 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -39.979 -6.616 11.823 1.00 0.00 H new ATOM 0 HG LEU A 17 -40.930 -5.401 14.460 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -41.533 -3.454 13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -39.783 -3.772 12.991 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -40.826 -4.259 11.634 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -43.139 -5.350 13.344 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -42.442 -6.166 11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -42.531 -7.017 13.485 1.00 0.00 H new ATOM 245 N ARG A 18 -41.956 -9.407 13.591 1.00 0.00 N ATOM 246 CA ARG A 18 -43.010 -10.214 12.989 1.00 0.00 C ATOM 247 C ARG A 18 -44.117 -9.320 12.449 1.00 0.00 C ATOM 248 O ARG A 18 -44.353 -8.232 12.969 1.00 0.00 O ATOM 249 CB ARG A 18 -43.583 -11.181 14.023 1.00 0.00 C ATOM 250 CG ARG A 18 -44.297 -10.392 15.121 1.00 0.00 C ATOM 251 CD ARG A 18 -44.664 -11.334 16.268 1.00 0.00 C ATOM 252 NE ARG A 18 -43.454 -11.831 16.916 1.00 0.00 N ATOM 253 CZ ARG A 18 -42.793 -11.090 17.800 1.00 0.00 C ATOM 254 NH1 ARG A 18 -41.714 -11.557 18.366 1.00 0.00 N ATOM 255 NH2 ARG A 18 -43.224 -9.896 18.101 1.00 0.00 N ATOM 0 H ARG A 18 -41.906 -9.462 14.608 1.00 0.00 H new ATOM 0 HA ARG A 18 -42.584 -10.784 12.164 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -44.279 -11.870 13.545 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -42.784 -11.783 14.455 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -43.654 -9.591 15.485 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -45.195 -9.922 14.721 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -45.286 -10.810 16.994 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -45.252 -12.170 15.889 1.00 0.00 H new ATOM 0 HE ARG A 18 -43.110 -12.763 16.686 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -41.378 -12.491 18.130 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -41.207 -10.988 19.044 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -44.068 -9.532 17.658 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -42.717 -9.327 18.779 1.00 0.00 H new ATOM 269 N THR A 19 -44.795 -9.780 11.401 1.00 0.00 N ATOM 270 CA THR A 19 -45.875 -9.001 10.802 1.00 0.00 C ATOM 271 C THR A 19 -47.232 -9.419 11.372 1.00 0.00 C ATOM 272 O THR A 19 -47.653 -10.576 11.255 1.00 0.00 O ATOM 273 CB THR A 19 -45.878 -9.203 9.286 1.00 0.00 C ATOM 274 OG1 THR A 19 -44.604 -8.853 8.761 1.00 0.00 O ATOM 275 CG2 THR A 19 -46.948 -8.309 8.649 1.00 0.00 C ATOM 0 H THR A 19 -44.618 -10.679 10.953 1.00 0.00 H new ATOM 0 HA THR A 19 -45.708 -7.950 11.036 1.00 0.00 H new ATOM 0 HB THR A 19 -46.095 -10.247 9.062 1.00 0.00 H new ATOM 0 HG1 THR A 19 -44.720 -8.375 7.913 1.00 0.00 H new ATOM 0 HG21 THR A 19 -46.948 -8.455 7.569 1.00 0.00 H new ATOM 0 HG22 THR A 19 -47.927 -8.571 9.051 1.00 0.00 H new ATOM 0 HG23 THR A 19 -46.731 -7.265 8.874 1.00 0.00 H new ATOM 283 N GLU A 20 -47.921 -8.464 11.980 1.00 0.00 N ATOM 284 CA GLU A 20 -49.231 -8.734 12.556 1.00 0.00 C ATOM 285 C GLU A 20 -50.249 -9.000 11.454 1.00 0.00 C ATOM 286 O GLU A 20 -50.251 -8.328 10.423 1.00 0.00 O ATOM 287 CB GLU A 20 -49.688 -7.543 13.404 1.00 0.00 C ATOM 288 CG GLU A 20 -50.990 -7.893 14.135 1.00 0.00 C ATOM 289 CD GLU A 20 -50.732 -8.999 15.154 1.00 0.00 C ATOM 290 OE1 GLU A 20 -49.579 -9.195 15.507 1.00 0.00 O ATOM 291 OE2 GLU A 20 -51.687 -9.636 15.564 1.00 0.00 O ATOM 0 H GLU A 20 -47.598 -7.502 12.087 1.00 0.00 H new ATOM 0 HA GLU A 20 -49.156 -9.618 13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -48.914 -7.281 14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -49.840 -6.670 12.769 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -51.385 -7.009 14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -51.744 -8.216 13.418 1.00 0.00 H new ATOM 298 N GLY A 21 -51.117 -9.980 11.679 1.00 0.00 N ATOM 299 CA GLY A 21 -52.140 -10.329 10.701 1.00 0.00 C ATOM 300 C GLY A 21 -51.601 -11.326 9.686 1.00 0.00 C ATOM 301 O GLY A 21 -52.305 -11.718 8.757 1.00 0.00 O ATOM 0 H GLY A 21 -51.133 -10.545 12.528 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -53.006 -10.753 11.210 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -52.481 -9.430 10.188 1.00 0.00 H new ATOM 305 N LYS A 22 -50.346 -11.741 9.873 1.00 0.00 N ATOM 306 CA LYS A 22 -49.719 -12.703 8.966 1.00 0.00 C ATOM 307 C LYS A 22 -48.937 -13.743 9.751 1.00 0.00 C ATOM 308 O LYS A 22 -48.523 -13.496 10.888 1.00 0.00 O ATOM 309 CB LYS A 22 -48.786 -11.983 7.997 1.00 0.00 C ATOM 310 CG LYS A 22 -49.606 -11.085 7.069 1.00 0.00 C ATOM 311 CD LYS A 22 -48.671 -10.388 6.080 1.00 0.00 C ATOM 312 CE LYS A 22 -49.489 -9.501 5.140 1.00 0.00 C ATOM 313 NZ LYS A 22 -48.574 -8.803 4.194 1.00 0.00 N ATOM 0 H LYS A 22 -49.748 -11.428 10.638 1.00 0.00 H new ATOM 0 HA LYS A 22 -50.505 -13.204 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -48.061 -11.386 8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -48.222 -12.709 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -50.346 -11.678 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -50.154 -10.345 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -47.938 -9.787 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -48.115 -11.129 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -50.209 -10.105 4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -50.060 -8.772 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -49.130 -8.200 3.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -47.904 -8.215 4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -48.049 -9.506 3.637 1.00 0.00 H new ATOM 327 N GLU A 23 -48.754 -14.913 9.150 1.00 0.00 N ATOM 328 CA GLU A 23 -48.040 -15.987 9.815 1.00 0.00 C ATOM 329 C GLU A 23 -46.583 -15.590 10.054 1.00 0.00 C ATOM 330 O GLU A 23 -46.005 -14.833 9.274 1.00 0.00 O ATOM 331 CB GLU A 23 -48.086 -17.258 8.956 1.00 0.00 C ATOM 332 CG GLU A 23 -49.519 -17.786 8.902 1.00 0.00 C ATOM 333 CD GLU A 23 -49.952 -18.284 10.279 1.00 0.00 C ATOM 334 OE1 GLU A 23 -49.115 -18.822 10.983 1.00 0.00 O ATOM 335 OE2 GLU A 23 -51.115 -18.118 10.608 1.00 0.00 O ATOM 0 H GLU A 23 -49.088 -15.137 8.213 1.00 0.00 H new ATOM 0 HA GLU A 23 -48.520 -16.178 10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -47.729 -17.042 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -47.423 -18.016 9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -50.192 -16.998 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -49.588 -18.596 8.176 1.00 0.00 H new ATOM 342 N PRO A 24 -45.979 -16.087 11.105 1.00 0.00 N ATOM 343 CA PRO A 24 -44.558 -15.779 11.442 1.00 0.00 C ATOM 344 C PRO A 24 -43.596 -16.328 10.393 1.00 0.00 C ATOM 345 O PRO A 24 -43.963 -17.178 9.583 1.00 0.00 O ATOM 346 CB PRO A 24 -44.343 -16.459 12.812 1.00 0.00 C ATOM 347 CG PRO A 24 -45.404 -17.511 12.901 1.00 0.00 C ATOM 348 CD PRO A 24 -46.586 -16.994 12.098 1.00 0.00 C ATOM 0 HA PRO A 24 -44.364 -14.707 11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -43.347 -16.897 12.882 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -44.432 -15.740 13.626 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -45.046 -18.459 12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -45.687 -17.691 13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -47.127 -17.808 11.616 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -47.300 -16.469 12.733 1.00 0.00 H new ATOM 356 N ASP A 25 -42.366 -15.829 10.410 1.00 0.00 N ATOM 357 CA ASP A 25 -41.358 -16.269 9.455 1.00 0.00 C ATOM 358 C ASP A 25 -39.970 -16.164 10.068 1.00 0.00 C ATOM 359 O ASP A 25 -39.791 -15.534 11.111 1.00 0.00 O ATOM 360 CB ASP A 25 -41.432 -15.406 8.189 1.00 0.00 C ATOM 361 CG ASP A 25 -40.768 -16.129 7.022 1.00 0.00 C ATOM 362 OD1 ASP A 25 -41.060 -17.299 6.835 1.00 0.00 O ATOM 363 OD2 ASP A 25 -39.975 -15.506 6.337 1.00 0.00 O ATOM 0 H ASP A 25 -42.044 -15.123 11.072 1.00 0.00 H new ATOM 0 HA ASP A 25 -41.550 -17.310 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -42.473 -15.189 7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -40.939 -14.449 8.362 1.00 0.00 H new ATOM 368 N ILE A 26 -38.989 -16.784 9.415 1.00 0.00 N ATOM 369 CA ILE A 26 -37.609 -16.759 9.901 1.00 0.00 C ATOM 370 C ILE A 26 -36.660 -16.318 8.785 1.00 0.00 C ATOM 371 O ILE A 26 -36.170 -17.135 8.010 1.00 0.00 O ATOM 372 CB ILE A 26 -37.212 -18.145 10.397 1.00 0.00 C ATOM 373 CG1 ILE A 26 -35.761 -18.100 10.896 1.00 0.00 C ATOM 374 CG2 ILE A 26 -37.353 -19.183 9.265 1.00 0.00 C ATOM 375 CD1 ILE A 26 -35.438 -19.398 11.635 1.00 0.00 C ATOM 0 H ILE A 26 -39.122 -17.309 8.550 1.00 0.00 H new ATOM 0 HA ILE A 26 -37.539 -16.047 10.723 1.00 0.00 H new ATOM 0 HB ILE A 26 -37.872 -18.440 11.213 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -35.080 -17.968 10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -35.619 -17.246 11.559 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -37.066 -20.167 9.636 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -38.388 -19.212 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -36.705 -18.905 8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -34.408 -19.368 11.990 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -36.112 -19.510 12.485 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -35.564 -20.243 10.958 1.00 0.00 H new ATOM 387 N PRO A 27 -36.388 -15.040 8.685 1.00 0.00 N ATOM 388 CA PRO A 27 -35.475 -14.496 7.642 1.00 0.00 C ATOM 389 C PRO A 27 -34.014 -14.752 7.983 1.00 0.00 C ATOM 390 O PRO A 27 -33.581 -14.526 9.112 1.00 0.00 O ATOM 391 CB PRO A 27 -35.795 -12.991 7.623 1.00 0.00 C ATOM 392 CG PRO A 27 -36.347 -12.681 8.983 1.00 0.00 C ATOM 393 CD PRO A 27 -36.926 -13.978 9.547 1.00 0.00 C ATOM 0 HA PRO A 27 -35.623 -14.969 6.671 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -34.901 -12.402 7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -36.518 -12.753 6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -35.565 -12.294 9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -37.117 -11.913 8.919 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -36.629 -14.124 10.586 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -38.016 -13.966 9.526 1.00 0.00 H new ATOM 401 N LEU A 28 -33.259 -15.223 6.996 1.00 0.00 N ATOM 402 CA LEU A 28 -31.844 -15.504 7.200 1.00 0.00 C ATOM 403 C LEU A 28 -31.035 -15.037 5.995 1.00 0.00 C ATOM 404 O LEU A 28 -31.500 -15.104 4.859 1.00 0.00 O ATOM 405 CB LEU A 28 -31.631 -17.003 7.420 1.00 0.00 C ATOM 406 CG LEU A 28 -30.154 -17.277 7.740 1.00 0.00 C ATOM 407 CD1 LEU A 28 -29.751 -16.558 9.044 1.00 0.00 C ATOM 408 CD2 LEU A 28 -29.942 -18.785 7.898 1.00 0.00 C ATOM 0 H LEU A 28 -33.600 -15.417 6.055 1.00 0.00 H new ATOM 0 HA LEU A 28 -31.505 -14.964 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -32.261 -17.353 8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -31.928 -17.557 6.529 1.00 0.00 H new ATOM 0 HG LEU A 28 -29.535 -16.902 6.925 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -28.702 -16.759 9.261 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -29.898 -15.484 8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -30.368 -16.922 9.866 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -28.895 -18.983 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -30.566 -19.157 8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -30.214 -19.290 6.971 1.00 0.00 H new ATOM 420 N TYR A 29 -29.817 -14.565 6.251 1.00 0.00 N ATOM 421 CA TYR A 29 -28.948 -14.090 5.178 1.00 0.00 C ATOM 422 C TYR A 29 -28.112 -15.238 4.621 1.00 0.00 C ATOM 423 O TYR A 29 -27.564 -16.043 5.373 1.00 0.00 O ATOM 424 CB TYR A 29 -28.020 -12.998 5.712 1.00 0.00 C ATOM 425 CG TYR A 29 -27.286 -13.504 6.931 1.00 0.00 C ATOM 426 CD1 TYR A 29 -26.063 -14.169 6.790 1.00 0.00 C ATOM 427 CD2 TYR A 29 -27.831 -13.304 8.206 1.00 0.00 C ATOM 428 CE1 TYR A 29 -25.385 -14.635 7.923 1.00 0.00 C ATOM 429 CE2 TYR A 29 -27.153 -13.771 9.339 1.00 0.00 C ATOM 430 CZ TYR A 29 -25.930 -14.436 9.197 1.00 0.00 C ATOM 431 OH TYR A 29 -25.262 -14.897 10.313 1.00 0.00 O ATOM 0 H TYR A 29 -29.412 -14.502 7.185 1.00 0.00 H new ATOM 0 HA TYR A 29 -29.570 -13.686 4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -27.307 -12.705 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -28.597 -12.109 5.966 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -25.642 -14.323 5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -28.774 -12.790 8.315 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -24.441 -15.148 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -27.574 -13.618 10.322 1.00 0.00 H new ATOM 0 HH TYR A 29 -25.777 -14.675 11.117 1.00 0.00 H new ATOM 441 N LYS A 30 -28.016 -15.301 3.295 1.00 0.00 N ATOM 442 CA LYS A 30 -27.237 -16.349 2.636 1.00 0.00 C ATOM 443 C LYS A 30 -26.488 -15.779 1.441 1.00 0.00 C ATOM 444 O LYS A 30 -26.978 -14.878 0.764 1.00 0.00 O ATOM 445 CB LYS A 30 -28.160 -17.477 2.176 1.00 0.00 C ATOM 446 CG LYS A 30 -28.767 -18.169 3.398 1.00 0.00 C ATOM 447 CD LYS A 30 -29.657 -19.324 2.941 1.00 0.00 C ATOM 448 CE LYS A 30 -30.268 -20.015 4.162 1.00 0.00 C ATOM 449 NZ LYS A 30 -31.128 -21.147 3.714 1.00 0.00 N ATOM 0 H LYS A 30 -28.465 -14.643 2.658 1.00 0.00 H new ATOM 0 HA LYS A 30 -26.514 -16.745 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -28.951 -17.078 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -27.602 -18.197 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -27.976 -18.541 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -29.350 -17.456 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -30.447 -18.952 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -29.073 -20.038 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.479 -20.382 4.818 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.858 -19.303 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -31.543 -21.617 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -31.889 -20.785 3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -30.553 -21.830 3.181 1.00 0.00 H new ATOM 463 N THR A 31 -25.298 -16.310 1.187 1.00 0.00 N ATOM 464 CA THR A 31 -24.480 -15.850 0.059 1.00 0.00 C ATOM 465 C THR A 31 -24.491 -16.892 -1.047 1.00 0.00 C ATOM 466 O THR A 31 -23.918 -17.968 -0.903 1.00 0.00 O ATOM 467 CB THR A 31 -23.037 -15.608 0.522 1.00 0.00 C ATOM 468 OG1 THR A 31 -22.141 -15.908 -0.536 1.00 0.00 O ATOM 469 CG2 THR A 31 -22.722 -16.498 1.728 1.00 0.00 C ATOM 0 H THR A 31 -24.875 -17.055 1.740 1.00 0.00 H new ATOM 0 HA THR A 31 -24.896 -14.917 -0.321 1.00 0.00 H new ATOM 0 HB THR A 31 -22.924 -14.562 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 31 -22.164 -15.186 -1.199 1.00 0.00 H new ATOM 0 HG21 THR A 31 -21.696 -16.322 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 31 -23.406 -16.262 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.839 -17.545 1.448 1.00 0.00 H new ATOM 477 N LEU A 32 -25.142 -16.560 -2.157 1.00 0.00 N ATOM 478 CA LEU A 32 -25.224 -17.477 -3.296 1.00 0.00 C ATOM 479 C LEU A 32 -24.327 -16.998 -4.425 1.00 0.00 C ATOM 480 O LEU A 32 -23.684 -17.797 -5.104 1.00 0.00 O ATOM 481 CB LEU A 32 -26.667 -17.559 -3.793 1.00 0.00 C ATOM 482 CG LEU A 32 -27.598 -17.850 -2.611 1.00 0.00 C ATOM 483 CD1 LEU A 32 -29.046 -17.903 -3.105 1.00 0.00 C ATOM 484 CD2 LEU A 32 -27.221 -19.194 -1.970 1.00 0.00 C ATOM 0 H LEU A 32 -25.619 -15.669 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 32 -24.893 -18.464 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -26.952 -16.622 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -26.760 -18.343 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 32 -27.496 -17.059 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -29.710 -18.110 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -29.313 -16.945 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -29.147 -18.692 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -27.886 -19.396 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -27.318 -19.989 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -26.191 -19.152 -1.615 1.00 0.00 H new ATOM 496 N GLN A 33 -24.284 -15.682 -4.612 1.00 0.00 N ATOM 497 CA GLN A 33 -23.459 -15.092 -5.660 1.00 0.00 C ATOM 498 C GLN A 33 -22.037 -14.886 -5.161 1.00 0.00 C ATOM 499 O GLN A 33 -21.821 -14.521 -4.004 1.00 0.00 O ATOM 500 CB GLN A 33 -24.060 -13.755 -6.108 1.00 0.00 C ATOM 501 CG GLN A 33 -25.427 -13.988 -6.756 1.00 0.00 C ATOM 502 CD GLN A 33 -25.272 -14.826 -8.021 1.00 0.00 C ATOM 503 OE1 GLN A 33 -24.414 -14.540 -8.854 1.00 0.00 O ATOM 504 NE2 GLN A 33 -26.053 -15.853 -8.211 1.00 0.00 N ATOM 0 H GLN A 33 -24.808 -15.007 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 33 -23.433 -15.772 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -24.163 -13.088 -5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -23.391 -13.265 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -26.089 -14.495 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -25.891 -13.032 -6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -26.764 -16.088 -7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -25.953 -16.421 -9.052 1.00 0.00 H new ATOM 513 N THR A 34 -21.068 -15.122 -6.045 1.00 0.00 N ATOM 514 CA THR A 34 -19.655 -14.964 -5.693 1.00 0.00 C ATOM 515 C THR A 34 -18.994 -13.955 -6.619 1.00 0.00 C ATOM 516 O THR A 34 -19.349 -13.842 -7.789 1.00 0.00 O ATOM 517 CB THR A 34 -18.942 -16.312 -5.815 1.00 0.00 C ATOM 518 OG1 THR A 34 -17.594 -16.163 -5.397 1.00 0.00 O ATOM 519 CG2 THR A 34 -18.979 -16.789 -7.268 1.00 0.00 C ATOM 0 H THR A 34 -21.233 -15.422 -7.006 1.00 0.00 H new ATOM 0 HA THR A 34 -19.584 -14.604 -4.666 1.00 0.00 H new ATOM 0 HB THR A 34 -19.444 -17.048 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.132 -17.024 -5.471 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.470 -17.749 -7.349 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.015 -16.900 -7.588 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.479 -16.058 -7.904 1.00 0.00 H new ATOM 527 N VAL A 35 -18.037 -13.209 -6.075 1.00 0.00 N ATOM 528 CA VAL A 35 -17.327 -12.189 -6.847 1.00 0.00 C ATOM 529 C VAL A 35 -15.834 -12.236 -6.550 1.00 0.00 C ATOM 530 O VAL A 35 -15.407 -12.769 -5.522 1.00 0.00 O ATOM 531 CB VAL A 35 -17.872 -10.799 -6.507 1.00 0.00 C ATOM 532 CG1 VAL A 35 -17.078 -9.742 -7.276 1.00 0.00 C ATOM 533 CG2 VAL A 35 -19.348 -10.720 -6.910 1.00 0.00 C ATOM 0 H VAL A 35 -17.734 -13.290 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.483 -12.391 -7.907 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.776 -10.620 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.464 -8.751 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.027 -9.800 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.177 -9.920 -8.347 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.739 -9.731 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.443 -10.896 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.915 -11.476 -6.367 1.00 0.00 H new ATOM 543 N GLY A 36 -15.041 -11.679 -7.459 1.00 0.00 N ATOM 544 CA GLY A 36 -13.597 -11.659 -7.280 1.00 0.00 C ATOM 545 C GLY A 36 -13.005 -13.040 -7.542 1.00 0.00 C ATOM 546 O GLY A 36 -12.871 -13.844 -6.621 1.00 0.00 O ATOM 0 H GLY A 36 -15.371 -11.240 -8.318 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.151 -10.931 -7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.355 -11.340 -6.266 1.00 0.00 H new ATOM 550 N PRO A 37 -12.665 -13.330 -8.776 1.00 0.00 N ATOM 551 CA PRO A 37 -12.083 -14.650 -9.173 1.00 0.00 C ATOM 552 C PRO A 37 -10.864 -15.033 -8.329 1.00 0.00 C ATOM 553 O PRO A 37 -10.856 -14.871 -7.107 1.00 0.00 O ATOM 554 CB PRO A 37 -11.698 -14.449 -10.652 1.00 0.00 C ATOM 555 CG PRO A 37 -12.568 -13.334 -11.137 1.00 0.00 C ATOM 556 CD PRO A 37 -12.807 -12.430 -9.932 1.00 0.00 C ATOM 0 HA PRO A 37 -12.787 -15.468 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.642 -14.197 -10.753 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.865 -15.358 -11.229 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.085 -12.786 -11.946 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.510 -13.717 -11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.084 -11.616 -9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.797 -11.976 -9.964 1.00 0.00 H new ATOM 564 N SER A 38 -9.840 -15.549 -8.989 1.00 0.00 N ATOM 565 CA SER A 38 -8.628 -15.958 -8.297 1.00 0.00 C ATOM 566 C SER A 38 -8.008 -14.777 -7.570 1.00 0.00 C ATOM 567 O SER A 38 -7.508 -14.927 -6.459 1.00 0.00 O ATOM 568 CB SER A 38 -7.620 -16.530 -9.291 1.00 0.00 C ATOM 569 OG SER A 38 -6.450 -16.934 -8.590 1.00 0.00 O ATOM 0 H SER A 38 -9.823 -15.694 -9.998 1.00 0.00 H new ATOM 0 HA SER A 38 -8.892 -16.726 -7.569 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.054 -17.379 -9.819 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.368 -15.782 -10.043 1.00 0.00 H new ATOM 0 HG SER A 38 -5.800 -17.303 -9.224 1.00 0.00 H new ATOM 575 N HIS A 39 -8.036 -13.607 -8.208 1.00 0.00 N ATOM 576 CA HIS A 39 -7.466 -12.398 -7.615 1.00 0.00 C ATOM 577 C HIS A 39 -7.925 -12.234 -6.162 1.00 0.00 C ATOM 578 O HIS A 39 -7.516 -12.983 -5.280 1.00 0.00 O ATOM 579 CB HIS A 39 -7.898 -11.173 -8.425 1.00 0.00 C ATOM 580 CG HIS A 39 -7.325 -11.259 -9.813 1.00 0.00 C ATOM 581 ND1 HIS A 39 -7.913 -12.026 -10.807 1.00 0.00 N ATOM 582 CD2 HIS A 39 -6.223 -10.678 -10.389 1.00 0.00 C ATOM 583 CE1 HIS A 39 -7.168 -11.887 -11.919 1.00 0.00 C ATOM 584 NE2 HIS A 39 -6.126 -11.076 -11.719 1.00 0.00 N ATOM 0 H HIS A 39 -8.446 -13.471 -9.132 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.380 -12.488 -7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.986 -11.121 -8.472 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.556 -10.261 -7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.536 -10.013 -9.887 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.386 -12.372 -12.859 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -5.412 -10.806 -12.396 1.00 0.00 H new ATOM 592 N ALA A 40 -8.773 -11.244 -5.918 1.00 0.00 N ATOM 593 CA ALA A 40 -9.276 -11.002 -4.569 1.00 0.00 C ATOM 594 C ALA A 40 -10.519 -11.842 -4.303 1.00 0.00 C ATOM 595 O ALA A 40 -11.399 -11.942 -5.153 1.00 0.00 O ATOM 596 CB ALA A 40 -9.610 -9.521 -4.397 1.00 0.00 C ATOM 0 H ALA A 40 -9.125 -10.601 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.503 -11.285 -3.855 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.985 -9.347 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.712 -8.924 -4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.372 -9.233 -5.122 1.00 0.00 H new ATOM 602 N ARG A 41 -10.584 -12.441 -3.118 1.00 0.00 N ATOM 603 CA ARG A 41 -11.733 -13.265 -2.752 1.00 0.00 C ATOM 604 C ARG A 41 -12.839 -12.403 -2.154 1.00 0.00 C ATOM 605 O ARG A 41 -12.665 -11.796 -1.101 1.00 0.00 O ATOM 606 CB ARG A 41 -11.316 -14.330 -1.739 1.00 0.00 C ATOM 607 CG ARG A 41 -10.359 -15.318 -2.407 1.00 0.00 C ATOM 608 CD ARG A 41 -10.122 -16.501 -1.474 1.00 0.00 C ATOM 609 NE ARG A 41 -9.190 -17.448 -2.080 1.00 0.00 N ATOM 610 CZ ARG A 41 -8.909 -18.611 -1.498 1.00 0.00 C ATOM 611 NH1 ARG A 41 -8.068 -19.436 -2.059 1.00 0.00 N ATOM 612 NH2 ARG A 41 -9.475 -18.926 -0.365 1.00 0.00 N ATOM 0 H ARG A 41 -9.863 -12.373 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.107 -13.750 -3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.833 -13.862 -0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.195 -14.855 -1.364 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.777 -15.664 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.414 -14.827 -2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.724 -16.148 -0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.068 -16.998 -1.259 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.745 -17.213 -2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.625 -19.189 -2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.853 -20.327 -1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.132 -18.281 0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.260 -19.817 0.082 1.00 0.00 H new ATOM 626 N THR A 42 -13.982 -12.364 -2.831 1.00 0.00 N ATOM 627 CA THR A 42 -15.130 -11.581 -2.356 1.00 0.00 C ATOM 628 C THR A 42 -16.409 -12.404 -2.440 1.00 0.00 C ATOM 629 O THR A 42 -16.543 -13.272 -3.300 1.00 0.00 O ATOM 630 CB THR A 42 -15.276 -10.306 -3.186 1.00 0.00 C ATOM 631 OG1 THR A 42 -15.534 -10.647 -4.536 1.00 0.00 O ATOM 632 CG2 THR A 42 -13.984 -9.492 -3.100 1.00 0.00 C ATOM 0 H THR A 42 -14.143 -12.861 -3.707 1.00 0.00 H new ATOM 0 HA THR A 42 -14.957 -11.311 -1.314 1.00 0.00 H new ATOM 0 HB THR A 42 -16.105 -9.713 -2.799 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.971 -11.406 -4.795 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.087 -8.582 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.788 -9.229 -2.061 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.154 -10.084 -3.486 1.00 0.00 H new ATOM 640 N TYR A 43 -17.350 -12.120 -1.544 1.00 0.00 N ATOM 641 CA TYR A 43 -18.626 -12.840 -1.524 1.00 0.00 C ATOM 642 C TYR A 43 -19.779 -11.867 -1.357 1.00 0.00 C ATOM 643 O TYR A 43 -19.613 -10.806 -0.760 1.00 0.00 O ATOM 644 CB TYR A 43 -18.636 -13.851 -0.380 1.00 0.00 C ATOM 645 CG TYR A 43 -17.525 -14.851 -0.589 1.00 0.00 C ATOM 646 CD1 TYR A 43 -16.270 -14.631 -0.010 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.750 -15.997 -1.360 1.00 0.00 C ATOM 648 CE1 TYR A 43 -15.240 -15.558 -0.200 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.720 -16.925 -1.552 1.00 0.00 C ATOM 650 CZ TYR A 43 -15.465 -16.706 -0.972 1.00 0.00 C ATOM 651 OH TYR A 43 -14.449 -17.621 -1.159 1.00 0.00 O ATOM 0 H TYR A 43 -17.257 -11.402 -0.826 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.743 -13.367 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.506 -13.340 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.598 -14.362 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -16.097 -13.745 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.719 -16.165 -1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.272 -15.389 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.893 -17.809 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.772 -18.359 -1.718 1.00 0.00 H new ATOM 661 N THR A 44 -20.948 -12.229 -1.894 1.00 0.00 N ATOM 662 CA THR A 44 -22.129 -11.371 -1.798 1.00 0.00 C ATOM 663 C THR A 44 -23.176 -12.016 -0.904 1.00 0.00 C ATOM 664 O THR A 44 -23.522 -13.180 -1.085 1.00 0.00 O ATOM 665 CB THR A 44 -22.708 -11.143 -3.188 1.00 0.00 C ATOM 666 OG1 THR A 44 -21.749 -10.476 -3.999 1.00 0.00 O ATOM 667 CG2 THR A 44 -23.976 -10.299 -3.081 1.00 0.00 C ATOM 0 H THR A 44 -21.100 -13.104 -2.396 1.00 0.00 H new ATOM 0 HA THR A 44 -21.838 -10.414 -1.364 1.00 0.00 H new ATOM 0 HB THR A 44 -22.955 -12.103 -3.642 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.121 -10.331 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 44 -24.390 -10.136 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 44 -24.709 -10.819 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.736 -9.338 -2.626 1.00 0.00 H new ATOM 675 N VAL A 45 -23.673 -11.251 0.063 1.00 0.00 N ATOM 676 CA VAL A 45 -24.689 -11.751 0.991 1.00 0.00 C ATOM 677 C VAL A 45 -26.045 -11.149 0.659 1.00 0.00 C ATOM 678 O VAL A 45 -26.205 -9.929 0.648 1.00 0.00 O ATOM 679 CB VAL A 45 -24.306 -11.388 2.425 1.00 0.00 C ATOM 680 CG1 VAL A 45 -25.403 -11.864 3.378 1.00 0.00 C ATOM 681 CG2 VAL A 45 -22.986 -12.075 2.786 1.00 0.00 C ATOM 0 H VAL A 45 -23.391 -10.284 0.227 1.00 0.00 H new ATOM 0 HA VAL A 45 -24.748 -12.835 0.895 1.00 0.00 H new ATOM 0 HB VAL A 45 -24.191 -10.307 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -25.132 -11.606 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -26.345 -11.381 3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -25.515 -12.945 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -22.710 -11.818 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -23.103 -13.155 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -22.204 -11.741 2.104 1.00 0.00 H new ATOM 691 N ALA A 46 -27.022 -12.014 0.389 1.00 0.00 N ATOM 692 CA ALA A 46 -28.374 -11.561 0.059 1.00 0.00 C ATOM 693 C ALA A 46 -29.321 -11.832 1.220 1.00 0.00 C ATOM 694 O ALA A 46 -29.513 -12.979 1.624 1.00 0.00 O ATOM 695 CB ALA A 46 -28.872 -12.285 -1.191 1.00 0.00 C ATOM 0 H ALA A 46 -26.904 -13.027 0.392 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.347 -10.488 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.879 -11.944 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.206 -12.069 -2.026 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -28.887 -13.359 -1.008 1.00 0.00 H new ATOM 701 N VAL A 47 -29.919 -10.771 1.751 1.00 0.00 N ATOM 702 CA VAL A 47 -30.854 -10.907 2.862 1.00 0.00 C ATOM 703 C VAL A 47 -32.259 -11.157 2.331 1.00 0.00 C ATOM 704 O VAL A 47 -32.766 -10.392 1.513 1.00 0.00 O ATOM 705 CB VAL A 47 -30.843 -9.638 3.714 1.00 0.00 C ATOM 706 CG1 VAL A 47 -31.801 -9.812 4.897 1.00 0.00 C ATOM 707 CG2 VAL A 47 -29.428 -9.388 4.234 1.00 0.00 C ATOM 0 H VAL A 47 -29.774 -9.813 1.433 1.00 0.00 H new ATOM 0 HA VAL A 47 -30.548 -11.753 3.478 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.162 -8.789 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -31.795 -8.908 5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -32.810 -9.992 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -31.481 -10.660 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -29.418 -8.483 4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.108 -10.236 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -28.747 -9.266 3.392 1.00 0.00 H new ATOM 717 N TYR A 48 -32.888 -12.229 2.804 1.00 0.00 N ATOM 718 CA TYR A 48 -34.244 -12.571 2.370 1.00 0.00 C ATOM 719 C TYR A 48 -35.249 -12.223 3.459 1.00 0.00 C ATOM 720 O TYR A 48 -35.038 -12.525 4.632 1.00 0.00 O ATOM 721 CB TYR A 48 -34.324 -14.067 2.059 1.00 0.00 C ATOM 722 CG TYR A 48 -33.477 -14.375 0.847 1.00 0.00 C ATOM 723 CD1 TYR A 48 -32.152 -14.799 1.007 1.00 0.00 C ATOM 724 CD2 TYR A 48 -34.016 -14.235 -0.437 1.00 0.00 C ATOM 725 CE1 TYR A 48 -31.368 -15.084 -0.116 1.00 0.00 C ATOM 726 CE2 TYR A 48 -33.231 -14.519 -1.561 1.00 0.00 C ATOM 727 CZ TYR A 48 -31.907 -14.944 -1.401 1.00 0.00 C ATOM 728 OH TYR A 48 -31.133 -15.225 -2.509 1.00 0.00 O ATOM 0 H TYR A 48 -32.486 -12.874 3.484 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.481 -11.999 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -33.978 -14.646 2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -35.359 -14.357 1.876 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -31.735 -14.906 1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -35.038 -13.908 -0.561 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -30.347 -15.412 0.008 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -33.647 -14.410 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.660 -15.077 -3.322 1.00 0.00 H new ATOM 738 N PHE A 49 -36.344 -11.578 3.060 1.00 0.00 N ATOM 739 CA PHE A 49 -37.383 -11.187 4.008 1.00 0.00 C ATOM 740 C PHE A 49 -38.756 -11.302 3.359 1.00 0.00 C ATOM 741 O PHE A 49 -39.046 -10.627 2.372 1.00 0.00 O ATOM 742 CB PHE A 49 -37.148 -9.750 4.471 1.00 0.00 C ATOM 743 CG PHE A 49 -38.092 -9.430 5.604 1.00 0.00 C ATOM 744 CD1 PHE A 49 -37.755 -9.791 6.914 1.00 0.00 C ATOM 745 CD2 PHE A 49 -39.303 -8.778 5.346 1.00 0.00 C ATOM 746 CE1 PHE A 49 -38.630 -9.498 7.967 1.00 0.00 C ATOM 747 CE2 PHE A 49 -40.177 -8.485 6.400 1.00 0.00 C ATOM 748 CZ PHE A 49 -39.840 -8.845 7.711 1.00 0.00 C ATOM 0 H PHE A 49 -36.533 -11.317 2.092 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.343 -11.853 4.870 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.115 -9.625 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -37.307 -9.059 3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -36.821 -10.295 7.112 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -39.563 -8.501 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -38.370 -9.776 8.978 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -41.112 -7.981 6.202 1.00 0.00 H new ATOM 0 HZ PHE A 49 -40.514 -8.618 8.524 1.00 0.00 H new ATOM 758 N LYS A 50 -39.598 -12.157 3.919 1.00 0.00 N ATOM 759 CA LYS A 50 -40.938 -12.348 3.386 1.00 0.00 C ATOM 760 C LYS A 50 -40.887 -13.021 2.021 1.00 0.00 C ATOM 761 O LYS A 50 -41.845 -12.958 1.253 1.00 0.00 O ATOM 762 CB LYS A 50 -41.656 -10.993 3.266 1.00 0.00 C ATOM 763 CG LYS A 50 -43.177 -11.203 3.395 1.00 0.00 C ATOM 764 CD LYS A 50 -43.573 -11.263 4.889 1.00 0.00 C ATOM 765 CE LYS A 50 -44.003 -9.872 5.359 1.00 0.00 C ATOM 766 NZ LYS A 50 -43.063 -8.852 4.812 1.00 0.00 N ATOM 0 H LYS A 50 -39.379 -12.726 4.737 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.489 -12.992 4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -41.305 -10.314 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -41.422 -10.529 2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -43.709 -10.390 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -43.470 -12.126 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -44.386 -11.974 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -42.732 -11.616 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -45.019 -9.662 5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -44.009 -9.830 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -43.364 -7.904 5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -42.103 -9.041 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -43.066 -8.899 3.773 1.00 0.00 H new ATOM 780 N GLY A 51 -39.764 -13.656 1.725 1.00 0.00 N ATOM 781 CA GLY A 51 -39.598 -14.332 0.445 1.00 0.00 C ATOM 782 C GLY A 51 -39.126 -13.359 -0.626 1.00 0.00 C ATOM 783 O GLY A 51 -39.151 -13.672 -1.813 1.00 0.00 O ATOM 0 H GLY A 51 -38.958 -13.718 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -38.877 -15.143 0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -40.543 -14.782 0.142 1.00 0.00 H new ATOM 787 N GLU A 52 -38.698 -12.170 -0.200 1.00 0.00 N ATOM 788 CA GLU A 52 -38.219 -11.148 -1.133 1.00 0.00 C ATOM 789 C GLU A 52 -36.950 -10.492 -0.597 1.00 0.00 C ATOM 790 O GLU A 52 -36.755 -10.393 0.613 1.00 0.00 O ATOM 791 CB GLU A 52 -39.300 -10.091 -1.344 1.00 0.00 C ATOM 792 CG GLU A 52 -40.492 -10.716 -2.074 1.00 0.00 C ATOM 793 CD GLU A 52 -41.582 -9.670 -2.279 1.00 0.00 C ATOM 794 OE1 GLU A 52 -41.449 -8.589 -1.730 1.00 0.00 O ATOM 795 OE2 GLU A 52 -42.532 -9.964 -2.984 1.00 0.00 O ATOM 0 H GLU A 52 -38.673 -11.891 0.781 1.00 0.00 H new ATOM 0 HA GLU A 52 -37.991 -11.624 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -39.620 -9.686 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -38.901 -9.259 -1.924 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -40.172 -11.114 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -40.884 -11.554 -1.497 1.00 0.00 H new ATOM 802 N ARG A 53 -36.086 -10.054 -1.508 1.00 0.00 N ATOM 803 CA ARG A 53 -34.838 -9.421 -1.125 1.00 0.00 C ATOM 804 C ARG A 53 -35.111 -8.090 -0.451 1.00 0.00 C ATOM 805 O ARG A 53 -35.978 -7.335 -0.892 1.00 0.00 O ATOM 806 CB ARG A 53 -33.962 -9.201 -2.360 1.00 0.00 C ATOM 807 CG ARG A 53 -33.600 -10.555 -2.975 1.00 0.00 C ATOM 808 CD ARG A 53 -32.476 -10.373 -3.996 1.00 0.00 C ATOM 809 NE ARG A 53 -32.910 -9.487 -5.072 1.00 0.00 N ATOM 810 CZ ARG A 53 -33.599 -9.950 -6.109 1.00 0.00 C ATOM 811 NH1 ARG A 53 -33.972 -9.137 -7.061 1.00 0.00 N ATOM 812 NH2 ARG A 53 -33.906 -11.217 -6.175 1.00 0.00 N ATOM 0 H ARG A 53 -36.231 -10.128 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.316 -10.074 -0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -34.491 -8.588 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -33.056 -8.660 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -33.286 -11.248 -2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -34.475 -10.992 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -31.594 -9.958 -3.507 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -32.187 -11.341 -4.406 1.00 0.00 H new ATOM 0 HE ARG A 53 -32.680 -8.494 -5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -33.734 -8.147 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -34.501 -9.493 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -33.617 -11.851 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -34.435 -11.573 -6.971 1.00 0.00 H new ATOM 826 N ILE A 54 -34.364 -7.803 0.610 1.00 0.00 N ATOM 827 CA ILE A 54 -34.530 -6.545 1.337 1.00 0.00 C ATOM 828 C ILE A 54 -33.204 -5.795 1.417 1.00 0.00 C ATOM 829 O ILE A 54 -33.178 -4.585 1.623 1.00 0.00 O ATOM 830 CB ILE A 54 -35.044 -6.823 2.749 1.00 0.00 C ATOM 831 CG1 ILE A 54 -35.378 -5.497 3.441 1.00 0.00 C ATOM 832 CG2 ILE A 54 -33.971 -7.562 3.551 1.00 0.00 C ATOM 833 CD1 ILE A 54 -36.102 -5.775 4.759 1.00 0.00 C ATOM 0 H ILE A 54 -33.642 -8.418 0.985 1.00 0.00 H new ATOM 0 HA ILE A 54 -35.253 -5.930 0.801 1.00 0.00 H new ATOM 0 HB ILE A 54 -35.941 -7.440 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -34.465 -4.933 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -36.004 -4.884 2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -34.340 -7.759 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -33.735 -8.506 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -33.072 -6.948 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -36.339 -4.831 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -37.024 -6.322 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.460 -6.371 5.408 1.00 0.00 H new ATOM 845 N GLY A 55 -32.102 -6.521 1.252 1.00 0.00 N ATOM 846 CA GLY A 55 -30.777 -5.909 1.311 1.00 0.00 C ATOM 847 C GLY A 55 -29.724 -6.858 0.749 1.00 0.00 C ATOM 848 O GLY A 55 -29.872 -8.077 0.821 1.00 0.00 O ATOM 0 H GLY A 55 -32.099 -7.526 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.775 -4.978 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.533 -5.655 2.343 1.00 0.00 H new ATOM 852 N CYS A 56 -28.664 -6.288 0.187 1.00 0.00 N ATOM 853 CA CYS A 56 -27.590 -7.090 -0.392 1.00 0.00 C ATOM 854 C CYS A 56 -26.272 -6.328 -0.344 1.00 0.00 C ATOM 855 O CYS A 56 -26.230 -5.126 -0.599 1.00 0.00 O ATOM 856 CB CYS A 56 -27.926 -7.442 -1.842 1.00 0.00 C ATOM 857 SG CYS A 56 -26.642 -8.529 -2.510 1.00 0.00 S ATOM 0 H CYS A 56 -28.525 -5.280 0.120 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.489 -8.006 0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -28.897 -7.934 -1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -27.997 -6.534 -2.441 1.00 0.00 H new ATOM 0 HG CYS A 56 -26.160 -9.269 -1.556 1.00 0.00 H new ATOM 863 N GLY A 57 -25.196 -7.036 -0.012 1.00 0.00 N ATOM 864 CA GLY A 57 -23.878 -6.413 0.068 1.00 0.00 C ATOM 865 C GLY A 57 -22.784 -7.429 -0.228 1.00 0.00 C ATOM 866 O GLY A 57 -23.011 -8.638 -0.171 1.00 0.00 O ATOM 0 H GLY A 57 -25.209 -8.033 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -23.817 -5.588 -0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -23.730 -5.990 1.062 1.00 0.00 H new ATOM 870 N LYS A 58 -21.594 -6.929 -0.551 1.00 0.00 N ATOM 871 CA LYS A 58 -20.463 -7.799 -0.863 1.00 0.00 C ATOM 872 C LYS A 58 -19.157 -7.178 -0.389 1.00 0.00 C ATOM 873 O LYS A 58 -19.064 -5.966 -0.209 1.00 0.00 O ATOM 874 CB LYS A 58 -20.400 -8.046 -2.375 1.00 0.00 C ATOM 875 CG LYS A 58 -20.193 -6.714 -3.103 1.00 0.00 C ATOM 876 CD LYS A 58 -20.182 -6.953 -4.612 1.00 0.00 C ATOM 877 CE LYS A 58 -19.912 -5.631 -5.334 1.00 0.00 C ATOM 878 NZ LYS A 58 -21.002 -4.663 -5.022 1.00 0.00 N ATOM 0 H LYS A 58 -21.388 -5.931 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.604 -8.747 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.585 -8.731 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.321 -8.519 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.989 -6.017 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.254 -6.258 -2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.416 -7.684 -4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.138 -7.367 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.950 -5.224 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.855 -5.797 -6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.997 -3.896 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.919 -5.152 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.851 -4.264 -4.073 1.00 0.00 H new ATOM 892 N GLY A 59 -18.148 -8.022 -0.193 1.00 0.00 N ATOM 893 CA GLY A 59 -16.847 -7.541 0.257 1.00 0.00 C ATOM 894 C GLY A 59 -15.899 -8.705 0.536 1.00 0.00 C ATOM 895 O GLY A 59 -16.270 -9.869 0.399 1.00 0.00 O ATOM 0 H GLY A 59 -18.205 -9.030 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.414 -6.889 -0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.969 -6.942 1.160 1.00 0.00 H new ATOM 899 N PRO A 60 -14.687 -8.406 0.920 1.00 0.00 N ATOM 900 CA PRO A 60 -13.655 -9.443 1.226 1.00 0.00 C ATOM 901 C PRO A 60 -13.979 -10.212 2.504 1.00 0.00 C ATOM 902 O PRO A 60 -13.307 -11.185 2.840 1.00 0.00 O ATOM 903 CB PRO A 60 -12.347 -8.641 1.368 1.00 0.00 C ATOM 904 CG PRO A 60 -12.775 -7.250 1.723 1.00 0.00 C ATOM 905 CD PRO A 60 -14.161 -7.039 1.105 1.00 0.00 C ATOM 0 HA PRO A 60 -13.597 -10.205 0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.707 -9.065 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.776 -8.652 0.440 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.811 -7.121 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.065 -6.518 1.338 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.804 -6.450 1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.097 -6.505 0.157 1.00 0.00 H new ATOM 913 N SER A 61 -15.003 -9.757 3.218 1.00 0.00 N ATOM 914 CA SER A 61 -15.397 -10.400 4.468 1.00 0.00 C ATOM 915 C SER A 61 -16.887 -10.205 4.718 1.00 0.00 C ATOM 916 O SER A 61 -17.513 -9.313 4.146 1.00 0.00 O ATOM 917 CB SER A 61 -14.603 -9.802 5.633 1.00 0.00 C ATOM 918 OG SER A 61 -14.985 -10.449 6.839 1.00 0.00 O ATOM 0 H SER A 61 -15.572 -8.952 2.956 1.00 0.00 H new ATOM 0 HA SER A 61 -15.186 -11.467 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 61 -13.534 -9.927 5.462 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.791 -8.731 5.705 1.00 0.00 H new ATOM 0 HG SER A 61 -14.478 -10.071 7.588 1.00 0.00 H new ATOM 924 N LYS A 62 -17.447 -11.055 5.569 1.00 0.00 N ATOM 925 CA LYS A 62 -18.866 -10.977 5.888 1.00 0.00 C ATOM 926 C LYS A 62 -19.194 -9.644 6.547 1.00 0.00 C ATOM 927 O LYS A 62 -20.253 -9.069 6.306 1.00 0.00 O ATOM 928 CB LYS A 62 -19.262 -12.119 6.825 1.00 0.00 C ATOM 929 CG LYS A 62 -19.214 -13.446 6.063 1.00 0.00 C ATOM 930 CD LYS A 62 -19.688 -14.578 6.979 1.00 0.00 C ATOM 931 CE LYS A 62 -19.704 -15.894 6.199 1.00 0.00 C ATOM 932 NZ LYS A 62 -18.311 -16.272 5.833 1.00 0.00 N ATOM 0 H LYS A 62 -16.944 -11.802 6.048 1.00 0.00 H new ATOM 0 HA LYS A 62 -19.428 -11.062 4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -18.586 -12.154 7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -20.264 -11.950 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.846 -13.392 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -18.199 -13.643 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -19.027 -14.663 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -20.685 -14.357 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -20.159 -16.680 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.312 -15.789 5.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.282 -17.277 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.994 -15.693 5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.683 -16.110 6.646 1.00 0.00 H new ATOM 946 N LYS A 63 -18.290 -9.163 7.392 1.00 0.00 N ATOM 947 CA LYS A 63 -18.512 -7.906 8.095 1.00 0.00 C ATOM 948 C LYS A 63 -18.754 -6.773 7.103 1.00 0.00 C ATOM 949 O LYS A 63 -19.690 -5.990 7.263 1.00 0.00 O ATOM 950 CB LYS A 63 -17.288 -7.574 8.957 1.00 0.00 C ATOM 951 CG LYS A 63 -17.540 -6.281 9.739 1.00 0.00 C ATOM 952 CD LYS A 63 -16.329 -5.969 10.616 1.00 0.00 C ATOM 953 CE LYS A 63 -16.593 -4.687 11.408 1.00 0.00 C ATOM 954 NZ LYS A 63 -15.403 -4.368 12.245 1.00 0.00 N ATOM 0 H LYS A 63 -17.403 -9.620 7.606 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.392 -8.014 8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.084 -8.393 9.647 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.407 -7.462 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.724 -5.457 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.432 -6.386 10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.136 -6.798 11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.439 -5.851 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.804 -3.863 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.473 -4.811 12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.581 -3.497 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.222 -5.152 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.574 -4.232 11.632 1.00 0.00 H new ATOM 968 N GLN A 64 -17.914 -6.691 6.080 1.00 0.00 N ATOM 969 CA GLN A 64 -18.060 -5.642 5.076 1.00 0.00 C ATOM 970 C GLN A 64 -19.374 -5.800 4.316 1.00 0.00 C ATOM 971 O GLN A 64 -20.075 -4.819 4.065 1.00 0.00 O ATOM 972 CB GLN A 64 -16.890 -5.711 4.092 1.00 0.00 C ATOM 973 CG GLN A 64 -15.601 -5.253 4.783 1.00 0.00 C ATOM 974 CD GLN A 64 -15.681 -3.763 5.097 1.00 0.00 C ATOM 975 OE1 GLN A 64 -15.540 -3.362 6.254 1.00 0.00 O ATOM 976 NE2 GLN A 64 -15.916 -2.917 4.134 1.00 0.00 N ATOM 0 H GLN A 64 -17.133 -7.329 5.923 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.064 -4.676 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.773 -6.730 3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.093 -5.080 3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.450 -5.819 5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.743 -5.453 4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -16.032 -3.252 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.984 -1.920 4.337 1.00 0.00 H new ATOM 985 N ALA A 65 -19.698 -7.036 3.954 1.00 0.00 N ATOM 986 CA ALA A 65 -20.930 -7.307 3.219 1.00 0.00 C ATOM 987 C ALA A 65 -22.150 -6.969 4.066 1.00 0.00 C ATOM 988 O ALA A 65 -23.107 -6.368 3.580 1.00 0.00 O ATOM 989 CB ALA A 65 -20.982 -8.777 2.811 1.00 0.00 C ATOM 0 H ALA A 65 -19.131 -7.860 4.155 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.940 -6.681 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.904 -8.970 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -20.127 -9.009 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.952 -9.403 3.703 1.00 0.00 H new ATOM 995 N LYS A 66 -22.103 -7.352 5.339 1.00 0.00 N ATOM 996 CA LYS A 66 -23.208 -7.074 6.248 1.00 0.00 C ATOM 997 C LYS A 66 -23.424 -5.578 6.389 1.00 0.00 C ATOM 998 O LYS A 66 -24.560 -5.117 6.449 1.00 0.00 O ATOM 999 CB LYS A 66 -22.926 -7.688 7.625 1.00 0.00 C ATOM 1000 CG LYS A 66 -23.095 -9.204 7.560 1.00 0.00 C ATOM 1001 CD LYS A 66 -22.734 -9.817 8.916 1.00 0.00 C ATOM 1002 CE LYS A 66 -22.964 -11.330 8.872 1.00 0.00 C ATOM 1003 NZ LYS A 66 -24.425 -11.608 8.766 1.00 0.00 N ATOM 0 H LYS A 66 -21.319 -7.851 5.760 1.00 0.00 H new ATOM 0 HA LYS A 66 -24.112 -7.520 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -21.914 -7.439 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -23.606 -7.269 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.123 -9.455 7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -22.456 -9.619 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -21.693 -9.604 9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -23.341 -9.369 9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -22.438 -11.764 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -22.558 -11.796 9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -24.600 -12.618 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -24.938 -11.042 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -24.758 -11.358 7.813 1.00 0.00 H new ATOM 1017 N MET A 67 -22.333 -4.826 6.450 1.00 0.00 N ATOM 1018 CA MET A 67 -22.430 -3.381 6.600 1.00 0.00 C ATOM 1019 C MET A 67 -23.231 -2.782 5.450 1.00 0.00 C ATOM 1020 O MET A 67 -24.166 -2.013 5.671 1.00 0.00 O ATOM 1021 CB MET A 67 -21.027 -2.771 6.615 1.00 0.00 C ATOM 1022 CG MET A 67 -21.120 -1.263 6.859 1.00 0.00 C ATOM 1023 SD MET A 67 -19.455 -0.560 6.904 1.00 0.00 S ATOM 1024 CE MET A 67 -18.908 -1.345 8.441 1.00 0.00 C ATOM 0 H MET A 67 -21.381 -5.188 6.399 1.00 0.00 H new ATOM 0 HA MET A 67 -22.937 -3.159 7.539 1.00 0.00 H new ATOM 0 HB2 MET A 67 -20.426 -3.238 7.395 1.00 0.00 H new ATOM 0 HB3 MET A 67 -20.526 -2.965 5.667 1.00 0.00 H new ATOM 0 HG2 MET A 67 -21.705 -0.791 6.070 1.00 0.00 H new ATOM 0 HG3 MET A 67 -21.636 -1.066 7.799 1.00 0.00 H new ATOM 0 HE1 MET A 67 -18.132 -0.736 8.904 1.00 0.00 H new ATOM 0 HE2 MET A 67 -19.753 -1.437 9.123 1.00 0.00 H new ATOM 0 HE3 MET A 67 -18.509 -2.335 8.222 1.00 0.00 H new ATOM 1034 N GLY A 68 -22.868 -3.144 4.223 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.578 -2.635 3.056 1.00 0.00 C ATOM 1036 C GLY A 68 -24.964 -3.259 2.936 1.00 0.00 C ATOM 1037 O GLY A 68 -25.943 -2.568 2.653 1.00 0.00 O ATOM 0 H GLY A 68 -22.098 -3.779 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.670 -1.551 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -23.002 -2.848 2.156 1.00 0.00 H new ATOM 1041 N ALA A 69 -25.038 -4.571 3.141 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.310 -5.276 3.039 1.00 0.00 C ATOM 1043 C ALA A 69 -27.301 -4.778 4.085 1.00 0.00 C ATOM 1044 O ALA A 69 -28.450 -4.470 3.767 1.00 0.00 O ATOM 1045 CB ALA A 69 -26.085 -6.778 3.231 1.00 0.00 C ATOM 0 H ALA A 69 -24.240 -5.162 3.376 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.725 -5.084 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.038 -7.301 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -25.406 -7.145 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -25.651 -6.958 4.214 1.00 0.00 H new ATOM 1051 N ALA A 70 -26.850 -4.705 5.334 1.00 0.00 N ATOM 1052 CA ALA A 70 -27.710 -4.251 6.421 1.00 0.00 C ATOM 1053 C ALA A 70 -28.165 -2.812 6.190 1.00 0.00 C ATOM 1054 O ALA A 70 -29.345 -2.493 6.317 1.00 0.00 O ATOM 1055 CB ALA A 70 -26.961 -4.346 7.748 1.00 0.00 C ATOM 0 H ALA A 70 -25.902 -4.952 5.617 1.00 0.00 H new ATOM 0 HA ALA A 70 -28.591 -4.892 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -27.608 -4.006 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -26.669 -5.381 7.928 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.070 -3.720 7.708 1.00 0.00 H new ATOM 1061 N MET A 71 -27.219 -1.951 5.833 1.00 0.00 N ATOM 1062 CA MET A 71 -27.525 -0.555 5.570 1.00 0.00 C ATOM 1063 C MET A 71 -28.488 -0.430 4.398 1.00 0.00 C ATOM 1064 O MET A 71 -29.371 0.429 4.402 1.00 0.00 O ATOM 1065 CB MET A 71 -26.240 0.220 5.280 1.00 0.00 C ATOM 1066 CG MET A 71 -26.575 1.701 5.074 1.00 0.00 C ATOM 1067 SD MET A 71 -25.042 2.648 4.890 1.00 0.00 S ATOM 1068 CE MET A 71 -25.804 4.277 4.688 1.00 0.00 C ATOM 0 H MET A 71 -26.236 -2.197 5.720 1.00 0.00 H new ATOM 0 HA MET A 71 -28.001 -0.133 6.455 1.00 0.00 H new ATOM 0 HB2 MET A 71 -25.539 0.106 6.107 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.753 -0.181 4.391 1.00 0.00 H new ATOM 0 HG2 MET A 71 -27.199 1.824 4.189 1.00 0.00 H new ATOM 0 HG3 MET A 71 -27.147 2.077 5.922 1.00 0.00 H new ATOM 0 HE1 MET A 71 -25.026 5.029 4.557 1.00 0.00 H new ATOM 0 HE2 MET A 71 -26.453 4.269 3.812 1.00 0.00 H new ATOM 0 HE3 MET A 71 -26.393 4.515 5.574 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.310 -1.281 3.387 1.00 0.00 N ATOM 1079 CA ASP A 72 -29.164 -1.236 2.212 1.00 0.00 C ATOM 1080 C ASP A 72 -30.624 -1.415 2.617 1.00 0.00 C ATOM 1081 O ASP A 72 -31.492 -0.656 2.190 1.00 0.00 O ATOM 1082 CB ASP A 72 -28.764 -2.352 1.245 1.00 0.00 C ATOM 1083 CG ASP A 72 -29.550 -2.223 -0.055 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -30.169 -1.190 -0.246 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -29.523 -3.159 -0.836 1.00 0.00 O ATOM 0 H ASP A 72 -27.588 -2.001 3.362 1.00 0.00 H new ATOM 0 HA ASP A 72 -29.045 -0.268 1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -27.695 -2.300 1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -28.955 -3.324 1.700 1.00 0.00 H new ATOM 1090 N ALA A 73 -30.886 -2.405 3.460 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.245 -2.654 3.929 1.00 0.00 C ATOM 1092 C ALA A 73 -32.757 -1.464 4.731 1.00 0.00 C ATOM 1093 O ALA A 73 -33.913 -1.063 4.604 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.273 -3.911 4.795 1.00 0.00 C ATOM 0 H ALA A 73 -30.183 -3.044 3.831 1.00 0.00 H new ATOM 0 HA ALA A 73 -32.892 -2.798 3.064 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.290 -4.091 5.142 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -31.933 -4.765 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.615 -3.776 5.654 1.00 0.00 H new ATOM 1100 N LEU A 74 -31.885 -0.901 5.556 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.257 0.243 6.370 1.00 0.00 C ATOM 1102 C LEU A 74 -32.696 1.406 5.494 1.00 0.00 C ATOM 1103 O LEU A 74 -33.695 2.069 5.775 1.00 0.00 O ATOM 1104 CB LEU A 74 -31.077 0.666 7.239 1.00 0.00 C ATOM 1105 CG LEU A 74 -31.440 1.954 8.031 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -30.954 1.830 9.477 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -30.768 3.170 7.376 1.00 0.00 C ATOM 0 H LEU A 74 -30.923 -1.216 5.678 1.00 0.00 H new ATOM 0 HA LEU A 74 -33.092 -0.044 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -30.817 -0.136 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -30.201 0.846 6.616 1.00 0.00 H new ATOM 0 HG LEU A 74 -32.522 2.083 8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -31.211 2.736 10.026 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -31.431 0.971 9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -29.872 1.695 9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -31.024 4.071 7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -29.686 3.035 7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -31.116 3.268 6.348 1.00 0.00 H new ATOM 1119 N GLU A 75 -31.944 1.652 4.428 1.00 0.00 N ATOM 1120 CA GLU A 75 -32.267 2.741 3.517 1.00 0.00 C ATOM 1121 C GLU A 75 -33.630 2.495 2.875 1.00 0.00 C ATOM 1122 O GLU A 75 -34.417 3.422 2.692 1.00 0.00 O ATOM 1123 CB GLU A 75 -31.199 2.844 2.421 1.00 0.00 C ATOM 1124 CG GLU A 75 -31.496 4.043 1.514 1.00 0.00 C ATOM 1125 CD GLU A 75 -31.356 5.339 2.308 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -30.711 5.307 3.343 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -31.901 6.338 1.874 1.00 0.00 O ATOM 0 H GLU A 75 -31.113 1.117 4.175 1.00 0.00 H new ATOM 0 HA GLU A 75 -32.295 3.673 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -30.213 2.953 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -31.180 1.927 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -30.810 4.049 0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -32.504 3.962 1.107 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.895 1.241 2.532 1.00 0.00 N ATOM 1135 CA LYS A 76 -35.157 0.878 1.903 1.00 0.00 C ATOM 1136 C LYS A 76 -36.294 0.978 2.905 1.00 0.00 C ATOM 1137 O LYS A 76 -37.437 1.218 2.524 1.00 0.00 O ATOM 1138 CB LYS A 76 -35.087 -0.543 1.350 1.00 0.00 C ATOM 1139 CG LYS A 76 -36.350 -0.839 0.538 1.00 0.00 C ATOM 1140 CD LYS A 76 -36.262 -2.250 -0.046 1.00 0.00 C ATOM 1141 CE LYS A 76 -37.540 -2.561 -0.826 1.00 0.00 C ATOM 1142 NZ LYS A 76 -37.659 -1.627 -1.982 1.00 0.00 N ATOM 0 H LYS A 76 -33.255 0.461 2.678 1.00 0.00 H new ATOM 0 HA LYS A 76 -35.342 1.571 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -34.203 -0.657 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -34.992 -1.258 2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -37.232 -0.751 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -36.459 -0.108 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -35.395 -2.330 -0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -36.125 -2.978 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -37.521 -3.592 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -38.409 -2.463 -0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -38.321 -2.022 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -38.013 -0.707 -1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -36.726 -1.500 -2.423 1.00 0.00 H new ATOM 1156 N TYR A 77 -35.972 0.781 4.184 1.00 0.00 N ATOM 1157 CA TYR A 77 -36.968 0.848 5.247 1.00 0.00 C ATOM 1158 C TYR A 77 -37.705 -0.482 5.365 1.00 0.00 C ATOM 1159 O TYR A 77 -37.685 -1.292 4.443 1.00 0.00 O ATOM 1160 CB TYR A 77 -37.974 1.980 4.966 1.00 0.00 C ATOM 1161 CG TYR A 77 -38.525 2.515 6.263 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -37.851 3.534 6.938 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -39.709 1.986 6.786 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -38.360 4.030 8.141 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -40.220 2.481 7.990 1.00 0.00 C ATOM 1166 CZ TYR A 77 -39.546 3.503 8.669 1.00 0.00 C ATOM 1167 OH TYR A 77 -40.048 3.991 9.855 1.00 0.00 O ATOM 0 H TYR A 77 -35.027 0.574 4.506 1.00 0.00 H new ATOM 0 HA TYR A 77 -36.457 1.054 6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -37.486 2.781 4.411 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -38.787 1.609 4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -36.936 3.939 6.531 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -40.228 1.197 6.261 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -37.840 4.819 8.663 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -41.135 2.075 8.396 1.00 0.00 H new ATOM 0 HH TYR A 77 -40.876 3.518 10.079 1.00 0.00 H new ATOM 1177 N ASN A 78 -38.347 -0.700 6.509 1.00 0.00 N ATOM 1178 CA ASN A 78 -39.082 -1.942 6.739 1.00 0.00 C ATOM 1179 C ASN A 78 -40.542 -1.800 6.316 1.00 0.00 C ATOM 1180 O ASN A 78 -41.311 -1.077 6.949 1.00 0.00 O ATOM 1181 CB ASN A 78 -39.017 -2.318 8.217 1.00 0.00 C ATOM 1182 CG ASN A 78 -37.573 -2.262 8.704 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -36.600 -2.409 7.847 1.00 0.00 O flip ATOM 1184 ND2 ASN A 78 -37.328 -2.066 9.893 1.00 0.00 N flip ATOM 0 H ASN A 78 -38.374 -0.040 7.286 1.00 0.00 H new ATOM 0 HA ASN A 78 -38.620 -2.726 6.139 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -39.634 -1.636 8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -39.421 -3.320 8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -38.092 -1.952 10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -36.361 -2.018 10.213 1.00 0.00 H new ATOM 1191 N PHE A 79 -40.920 -2.508 5.253 1.00 0.00 N ATOM 1192 CA PHE A 79 -42.300 -2.465 4.769 1.00 0.00 C ATOM 1193 C PHE A 79 -42.848 -1.041 4.824 1.00 0.00 C ATOM 1194 O PHE A 79 -43.852 -0.776 5.482 1.00 0.00 O ATOM 1195 CB PHE A 79 -43.171 -3.388 5.616 1.00 0.00 C ATOM 1196 CG PHE A 79 -44.525 -3.540 4.960 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -44.670 -4.375 3.845 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -45.631 -2.851 5.467 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -45.923 -4.520 3.237 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -46.884 -2.994 4.859 1.00 0.00 C ATOM 1201 CZ PHE A 79 -47.030 -3.828 3.744 1.00 0.00 C ATOM 0 H PHE A 79 -40.299 -3.112 4.715 1.00 0.00 H new ATOM 0 HA PHE A 79 -42.315 -2.801 3.732 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -42.694 -4.362 5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -43.285 -2.979 6.620 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -43.815 -4.907 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -45.519 -2.208 6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -46.036 -5.165 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -47.738 -2.461 5.250 1.00 0.00 H new ATOM 0 HZ PHE A 79 -47.997 -3.938 3.275 1.00 0.00 H new