USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 683 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 54 HIS : no HD1:sc= 0.919 K(o=0.68,f=-3.2!) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= -0.243 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 GLN : amide:sc= -2.77! C(o=-2.8!,f=-7.9!) USER MOD Single : A 7 SER OG : rot 22:sc= 0.264 USER MOD Single : A 8 LYS NZ :NH3+ 147:sc= 0.908 (180deg=0.278) USER MOD Single : A 15 LYS NZ :NH3+ -149:sc= 1.31 (180deg=1.13) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= 1.16 (180deg=0.37) USER MOD Single : A 22 THR OG1 : rot 74:sc= 1.02 USER MOD Single : A 23 HIS : no HE2:sc= -1.69! X(o=-1.7!,f=-1.6) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0.713 (180deg=0.442) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0.707 (180deg=0.34) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 93:sc= 1.25 USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.15) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.473) USER MOD Single : A 50 THR OG1 : rot 109:sc= 1.28 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 1.34 (180deg=1.07) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= 1.12 (180deg=-0.662!) USER MOD Single : A 63 ASN : amide:sc= 0.669 K(o=0.67,f=-0.32) USER MOD Single : A 65 ASN : amide:sc= -0.0799 X(o=-0.08,f=-0.27) USER MOD Single : A 69 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.28) USER MOD Single : A 70 GLN : amide:sc= -0.0713 X(o=-0.071,f=-0.31) USER MOD Single : A 71 LYS NZ :NH3+ 139:sc= 0.0641 (180deg=-0.0836) USER MOD Single : A 72 THR OG1 : rot 69:sc= 1.32 USER MOD Single : A 73 THR OG1 : rot 66:sc= 0.434 USER MOD Single : A 75 LYS NZ :NH3+ 145:sc= 1.26 (180deg=0.467) USER MOD Single : A 76 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 77 THR OG1 : rot 69:sc= 0.468 USER MOD Single : A 79 GLN : amide:sc= -0.0372 K(o=-0.037,f=-0.91) USER MOD Single : A 83 SER OG : rot -95:sc= 1.16 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 93 ASN : amide:sc= -0.153 K(o=-0.15,f=-6.9!) USER MOD Single : A 96 THR OG1 : rot -169:sc= 1.05 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0464 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 4.510 -10.200 -6.336 1.00 0.00 N ATOM 78 CA SER A 7 4.017 -10.620 -5.034 1.00 0.00 C ATOM 79 C SER A 7 3.598 -12.089 -5.061 1.00 0.00 C ATOM 80 O SER A 7 3.443 -12.676 -6.138 1.00 0.00 O ATOM 81 CB SER A 7 2.836 -9.739 -4.634 1.00 0.00 C ATOM 82 OG SER A 7 3.144 -8.369 -4.830 1.00 0.00 O ATOM 0 HA SER A 7 4.816 -10.512 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.959 -10.008 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.583 -9.914 -3.588 1.00 0.00 H new ATOM 0 HG SER A 7 3.874 -8.287 -5.479 1.00 0.00 H new ATOM 88 N LYS A 8 3.401 -12.674 -3.881 1.00 0.00 N ATOM 89 CA LYS A 8 2.999 -14.074 -3.774 1.00 0.00 C ATOM 90 C LYS A 8 1.675 -14.302 -4.489 1.00 0.00 C ATOM 91 O LYS A 8 1.453 -15.355 -5.084 1.00 0.00 O ATOM 92 CB LYS A 8 2.878 -14.500 -2.307 1.00 0.00 C ATOM 93 CG LYS A 8 4.200 -14.514 -1.557 1.00 0.00 C ATOM 94 CD LYS A 8 4.019 -14.993 -0.124 1.00 0.00 C ATOM 95 CE LYS A 8 5.343 -15.024 0.625 1.00 0.00 C ATOM 96 NZ LYS A 8 5.173 -15.410 2.054 1.00 0.00 N ATOM 0 H LYS A 8 3.513 -12.199 -2.985 1.00 0.00 H new ATOM 0 HA LYS A 8 3.770 -14.681 -4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.191 -13.824 -1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.437 -15.496 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.906 -15.164 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.630 -13.513 -1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.321 -14.336 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.577 -15.989 -0.125 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.017 -15.728 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.813 -14.042 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.007 -15.945 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.070 -14.554 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.324 -16.001 2.155 1.00 0.00 H new ATOM 110 N GLU A 9 0.811 -13.293 -4.449 1.00 0.00 N ATOM 111 CA GLU A 9 -0.480 -13.364 -5.116 1.00 0.00 C ATOM 112 C GLU A 9 -0.291 -13.515 -6.620 1.00 0.00 C ATOM 113 O GLU A 9 -1.029 -14.244 -7.268 1.00 0.00 O ATOM 114 CB GLU A 9 -1.316 -12.114 -4.827 1.00 0.00 C ATOM 115 CG GLU A 9 -0.719 -10.838 -5.396 1.00 0.00 C ATOM 116 CD GLU A 9 -1.626 -9.642 -5.231 1.00 0.00 C ATOM 117 OE1 GLU A 9 -1.337 -8.794 -4.366 1.00 0.00 O ATOM 118 OE2 GLU A 9 -2.631 -9.540 -5.971 1.00 0.00 O ATOM 0 H GLU A 9 0.984 -12.415 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.009 -14.235 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.316 -12.253 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.428 -12.003 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.233 -10.637 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.506 -10.983 -6.455 1.00 0.00 H new ATOM 125 N GLU A 10 0.724 -12.842 -7.157 1.00 0.00 N ATOM 126 CA GLU A 10 0.975 -12.847 -8.590 1.00 0.00 C ATOM 127 C GLU A 10 1.411 -14.230 -9.047 1.00 0.00 C ATOM 128 O GLU A 10 0.950 -14.732 -10.066 1.00 0.00 O ATOM 129 CB GLU A 10 2.040 -11.812 -8.953 1.00 0.00 C ATOM 130 CG GLU A 10 1.592 -10.820 -10.016 1.00 0.00 C ATOM 131 CD GLU A 10 1.137 -11.494 -11.296 1.00 0.00 C ATOM 132 OE1 GLU A 10 1.899 -12.312 -11.845 1.00 0.00 O ATOM 133 OE2 GLU A 10 0.017 -11.193 -11.762 1.00 0.00 O ATOM 0 H GLU A 10 1.386 -12.285 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 10 0.048 -12.585 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.323 -11.264 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.932 -12.330 -9.305 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.777 -10.214 -9.620 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.414 -10.140 -10.241 1.00 0.00 H new ATOM 140 N LEU A 11 2.284 -14.852 -8.271 1.00 0.00 N ATOM 141 CA LEU A 11 2.779 -16.180 -8.601 1.00 0.00 C ATOM 142 C LEU A 11 1.687 -17.223 -8.393 1.00 0.00 C ATOM 143 O LEU A 11 1.585 -18.197 -9.141 1.00 0.00 O ATOM 144 CB LEU A 11 4.002 -16.509 -7.744 1.00 0.00 C ATOM 145 CG LEU A 11 5.157 -15.514 -7.871 1.00 0.00 C ATOM 146 CD1 LEU A 11 6.288 -15.879 -6.927 1.00 0.00 C ATOM 147 CD2 LEU A 11 5.662 -15.462 -9.306 1.00 0.00 C ATOM 0 H LEU A 11 2.664 -14.460 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 11 3.071 -16.195 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.695 -16.557 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.363 -17.501 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 11 4.786 -14.526 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.098 -15.158 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.923 -15.865 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.655 -16.876 -7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.483 -14.749 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.012 -16.450 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.852 -15.150 -9.966 1.00 0.00 H new ATOM 159 N LEU A 12 0.864 -17.004 -7.379 1.00 0.00 N ATOM 160 CA LEU A 12 -0.216 -17.921 -7.050 1.00 0.00 C ATOM 161 C LEU A 12 -1.369 -17.812 -8.046 1.00 0.00 C ATOM 162 O LEU A 12 -1.897 -18.825 -8.507 1.00 0.00 O ATOM 163 CB LEU A 12 -0.724 -17.635 -5.636 1.00 0.00 C ATOM 164 CG LEU A 12 -1.855 -18.539 -5.152 1.00 0.00 C ATOM 165 CD1 LEU A 12 -1.376 -19.977 -5.020 1.00 0.00 C ATOM 166 CD2 LEU A 12 -2.402 -18.031 -3.828 1.00 0.00 C ATOM 0 H LEU A 12 0.925 -16.192 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 12 0.177 -18.936 -7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.112 -17.725 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.065 -16.600 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.657 -18.517 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.198 -20.604 -4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.029 -20.335 -5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.557 -20.023 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.208 -18.684 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.606 -18.026 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.785 -17.019 -3.957 1.00 0.00 H new ATOM 178 N ARG A 13 -1.746 -16.580 -8.389 1.00 0.00 N ATOM 179 CA ARG A 13 -2.911 -16.328 -9.241 1.00 0.00 C ATOM 180 C ARG A 13 -2.736 -16.951 -10.623 1.00 0.00 C ATOM 181 O ARG A 13 -3.713 -17.212 -11.318 1.00 0.00 O ATOM 182 CB ARG A 13 -3.171 -14.821 -9.368 1.00 0.00 C ATOM 183 CG ARG A 13 -2.171 -14.098 -10.254 1.00 0.00 C ATOM 184 CD ARG A 13 -2.065 -12.620 -9.905 1.00 0.00 C ATOM 185 NE ARG A 13 -3.338 -11.914 -10.007 1.00 0.00 N ATOM 186 CZ ARG A 13 -3.529 -10.811 -10.731 1.00 0.00 C ATOM 187 NH1 ARG A 13 -2.549 -10.307 -11.478 1.00 0.00 N ATOM 188 NH2 ARG A 13 -4.705 -10.202 -10.700 1.00 0.00 N ATOM 0 H ARG A 13 -1.259 -15.736 -8.088 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.774 -16.796 -8.767 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.174 -14.667 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.152 -14.374 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.192 -14.566 -10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.468 -14.204 -11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.681 -12.519 -8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.340 -12.147 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.134 -12.289 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.638 -10.765 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.709 -9.462 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.459 -10.577 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.857 -9.358 -11.252 1.00 0.00 H new ATOM 202 N GLU A 14 -1.492 -17.195 -11.012 1.00 0.00 N ATOM 203 CA GLU A 14 -1.206 -17.844 -12.282 1.00 0.00 C ATOM 204 C GLU A 14 -1.759 -19.265 -12.303 1.00 0.00 C ATOM 205 O GLU A 14 -2.087 -19.803 -13.361 1.00 0.00 O ATOM 206 CB GLU A 14 0.295 -17.861 -12.522 1.00 0.00 C ATOM 207 CG GLU A 14 0.880 -16.473 -12.661 1.00 0.00 C ATOM 208 CD GLU A 14 0.381 -15.748 -13.895 1.00 0.00 C ATOM 209 OE1 GLU A 14 -0.682 -15.101 -13.825 1.00 0.00 O ATOM 210 OE2 GLU A 14 1.053 -15.820 -14.945 1.00 0.00 O ATOM 0 H GLU A 14 -0.665 -16.953 -10.466 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.692 -17.280 -13.078 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.785 -18.376 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.508 -18.433 -13.425 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.631 -15.888 -11.776 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.967 -16.544 -12.701 1.00 0.00 H new ATOM 217 N LYS A 15 -1.860 -19.866 -11.124 1.00 0.00 N ATOM 218 CA LYS A 15 -2.341 -21.232 -10.990 1.00 0.00 C ATOM 219 C LYS A 15 -3.806 -21.257 -10.560 1.00 0.00 C ATOM 220 O LYS A 15 -4.400 -22.323 -10.389 1.00 0.00 O ATOM 221 CB LYS A 15 -1.489 -21.961 -9.968 1.00 0.00 C ATOM 222 CG LYS A 15 -0.007 -21.772 -10.206 1.00 0.00 C ATOM 223 CD LYS A 15 0.807 -22.469 -9.151 1.00 0.00 C ATOM 224 CE LYS A 15 0.869 -23.970 -9.390 1.00 0.00 C ATOM 225 NZ LYS A 15 1.638 -24.665 -8.327 1.00 0.00 N ATOM 0 H LYS A 15 -1.612 -19.422 -10.240 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.266 -21.728 -11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.741 -21.605 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.725 -23.025 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.258 -22.160 -11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.231 -20.708 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.817 -22.060 -9.141 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.375 -22.274 -8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.143 -24.374 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.329 -24.165 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.105 -25.503 -8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.356 -24.020 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.992 -24.959 -7.567 1.00 0.00 H new ATOM 239 N LEU A 16 -4.377 -20.073 -10.381 1.00 0.00 N ATOM 240 CA LEU A 16 -5.752 -19.944 -9.912 1.00 0.00 C ATOM 241 C LEU A 16 -6.697 -19.689 -11.082 1.00 0.00 C ATOM 242 O LEU A 16 -6.254 -19.468 -12.210 1.00 0.00 O ATOM 243 CB LEU A 16 -5.866 -18.794 -8.905 1.00 0.00 C ATOM 244 CG LEU A 16 -4.888 -18.839 -7.726 1.00 0.00 C ATOM 245 CD1 LEU A 16 -5.199 -17.729 -6.738 1.00 0.00 C ATOM 246 CD2 LEU A 16 -4.933 -20.187 -7.029 1.00 0.00 C ATOM 0 H LEU A 16 -3.907 -19.184 -10.554 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.032 -20.878 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.720 -17.854 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.882 -18.782 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.882 -18.692 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.496 -17.774 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.110 -16.763 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.215 -17.851 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.229 -20.190 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.940 -20.369 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.662 -20.971 -7.736 1.00 0.00 H new ATOM 258 N SER A 17 -7.994 -19.716 -10.806 1.00 0.00 N ATOM 259 CA SER A 17 -9.001 -19.401 -11.810 1.00 0.00 C ATOM 260 C SER A 17 -9.324 -17.909 -11.773 1.00 0.00 C ATOM 261 O SER A 17 -8.912 -17.211 -10.843 1.00 0.00 O ATOM 262 CB SER A 17 -10.265 -20.232 -11.563 1.00 0.00 C ATOM 263 OG SER A 17 -10.775 -20.020 -10.256 1.00 0.00 O ATOM 0 H SER A 17 -8.375 -19.954 -9.890 1.00 0.00 H new ATOM 0 HA SER A 17 -8.612 -19.648 -12.798 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.025 -19.969 -12.299 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.040 -21.290 -11.701 1.00 0.00 H new ATOM 0 HG SER A 17 -11.582 -20.562 -10.128 1.00 0.00 H new ATOM 269 N GLU A 18 -10.068 -17.424 -12.764 1.00 0.00 N ATOM 270 CA GLU A 18 -10.404 -16.005 -12.843 1.00 0.00 C ATOM 271 C GLU A 18 -11.220 -15.599 -11.620 1.00 0.00 C ATOM 272 O GLU A 18 -11.104 -14.477 -11.117 1.00 0.00 O ATOM 273 CB GLU A 18 -11.191 -15.692 -14.122 1.00 0.00 C ATOM 274 CG GLU A 18 -10.557 -16.234 -15.400 1.00 0.00 C ATOM 275 CD GLU A 18 -9.071 -15.950 -15.504 1.00 0.00 C ATOM 276 OE1 GLU A 18 -8.276 -16.903 -15.382 1.00 0.00 O ATOM 277 OE2 GLU A 18 -8.684 -14.781 -15.715 1.00 0.00 O ATOM 0 H GLU A 18 -10.449 -17.991 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.475 -15.435 -12.868 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.196 -16.104 -14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.297 -14.611 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.717 -17.311 -15.448 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.064 -15.798 -16.261 1.00 0.00 H new ATOM 284 N ASP A 19 -12.043 -16.533 -11.156 1.00 0.00 N ATOM 285 CA ASP A 19 -12.796 -16.376 -9.917 1.00 0.00 C ATOM 286 C ASP A 19 -11.856 -16.024 -8.772 1.00 0.00 C ATOM 287 O ASP A 19 -11.941 -14.949 -8.179 1.00 0.00 O ATOM 288 CB ASP A 19 -13.522 -17.684 -9.565 1.00 0.00 C ATOM 289 CG ASP A 19 -14.467 -18.167 -10.644 1.00 0.00 C ATOM 290 OD1 ASP A 19 -15.679 -18.281 -10.365 1.00 0.00 O ATOM 291 OD2 ASP A 19 -14.004 -18.457 -11.769 1.00 0.00 O ATOM 0 H ASP A 19 -12.207 -17.422 -11.629 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.523 -15.576 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.781 -18.459 -9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.083 -17.540 -8.641 1.00 0.00 H new ATOM 296 N GLN A 20 -10.932 -16.940 -8.512 1.00 0.00 N ATOM 297 CA GLN A 20 -10.003 -16.837 -7.396 1.00 0.00 C ATOM 298 C GLN A 20 -9.142 -15.577 -7.486 1.00 0.00 C ATOM 299 O GLN A 20 -8.873 -14.926 -6.477 1.00 0.00 O ATOM 300 CB GLN A 20 -9.129 -18.091 -7.369 1.00 0.00 C ATOM 301 CG GLN A 20 -9.893 -19.349 -6.976 1.00 0.00 C ATOM 302 CD GLN A 20 -9.200 -20.621 -7.418 1.00 0.00 C ATOM 303 OE1 GLN A 20 -7.985 -20.656 -7.569 1.00 0.00 O ATOM 304 NE2 GLN A 20 -9.966 -21.682 -7.611 1.00 0.00 N ATOM 0 H GLN A 20 -10.806 -17.781 -9.075 1.00 0.00 H new ATOM 0 HA GLN A 20 -10.573 -16.760 -6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.684 -18.237 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.308 -17.939 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.020 -19.368 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.891 -19.314 -7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.975 -21.614 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.548 -22.568 -7.895 1.00 0.00 H new ATOM 313 N LYS A 21 -8.728 -15.225 -8.700 1.00 0.00 N ATOM 314 CA LYS A 21 -7.914 -14.029 -8.919 1.00 0.00 C ATOM 315 C LYS A 21 -8.676 -12.774 -8.510 1.00 0.00 C ATOM 316 O LYS A 21 -8.095 -11.830 -7.972 1.00 0.00 O ATOM 317 CB LYS A 21 -7.508 -13.924 -10.392 1.00 0.00 C ATOM 318 CG LYS A 21 -6.761 -15.140 -10.913 1.00 0.00 C ATOM 319 CD LYS A 21 -6.611 -15.099 -12.425 1.00 0.00 C ATOM 320 CE LYS A 21 -6.064 -16.411 -12.962 1.00 0.00 C ATOM 321 NZ LYS A 21 -5.925 -16.397 -14.438 1.00 0.00 N ATOM 0 H LYS A 21 -8.942 -15.750 -9.548 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.018 -14.113 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.403 -13.774 -10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.882 -13.041 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.775 -15.188 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.293 -16.046 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.578 -14.891 -12.883 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.944 -14.283 -12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.093 -16.610 -12.509 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.726 -17.226 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.068 -16.920 -14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.757 -16.847 -14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.852 -15.414 -14.770 1.00 0.00 H new ATOM 335 N THR A 22 -9.980 -12.778 -8.758 1.00 0.00 N ATOM 336 CA THR A 22 -10.824 -11.640 -8.435 1.00 0.00 C ATOM 337 C THR A 22 -10.954 -11.469 -6.922 1.00 0.00 C ATOM 338 O THR A 22 -10.829 -10.361 -6.396 1.00 0.00 O ATOM 339 CB THR A 22 -12.223 -11.798 -9.068 1.00 0.00 C ATOM 340 OG1 THR A 22 -12.098 -11.907 -10.495 1.00 0.00 O ATOM 341 CG2 THR A 22 -13.125 -10.619 -8.723 1.00 0.00 C ATOM 0 H THR A 22 -10.475 -13.561 -9.184 1.00 0.00 H new ATOM 0 HA THR A 22 -10.351 -10.749 -8.847 1.00 0.00 H new ATOM 0 HB THR A 22 -12.677 -12.703 -8.664 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.752 -12.794 -10.726 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.102 -10.761 -9.184 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.240 -10.553 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.678 -9.698 -9.097 1.00 0.00 H new ATOM 349 N HIS A 23 -11.175 -12.575 -6.223 1.00 0.00 N ATOM 350 CA HIS A 23 -11.368 -12.533 -4.779 1.00 0.00 C ATOM 351 C HIS A 23 -10.058 -12.269 -4.046 1.00 0.00 C ATOM 352 O HIS A 23 -10.066 -11.879 -2.881 1.00 0.00 O ATOM 353 CB HIS A 23 -12.024 -13.825 -4.287 1.00 0.00 C ATOM 354 CG HIS A 23 -13.425 -13.984 -4.790 1.00 0.00 C ATOM 355 ND1 HIS A 23 -13.721 -14.824 -5.833 1.00 0.00 N ATOM 356 CD2 HIS A 23 -14.558 -13.365 -4.385 1.00 0.00 C ATOM 357 CE1 HIS A 23 -15.016 -14.695 -6.045 1.00 0.00 C ATOM 358 NE2 HIS A 23 -15.570 -13.823 -5.191 1.00 0.00 N ATOM 0 H HIS A 23 -11.225 -13.509 -6.630 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.037 -11.702 -4.555 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.427 -14.678 -4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.029 -13.834 -3.197 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -13.072 -15.425 -6.341 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.649 -12.648 -3.582 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.562 -15.226 -6.811 1.00 0.00 H new ATOM 366 N LEU A 24 -8.934 -12.468 -4.728 1.00 0.00 N ATOM 367 CA LEU A 24 -7.641 -12.099 -4.176 1.00 0.00 C ATOM 368 C LEU A 24 -7.564 -10.592 -3.981 1.00 0.00 C ATOM 369 O LEU A 24 -7.123 -10.111 -2.942 1.00 0.00 O ATOM 370 CB LEU A 24 -6.514 -12.565 -5.095 1.00 0.00 C ATOM 371 CG LEU A 24 -6.104 -14.030 -4.946 1.00 0.00 C ATOM 372 CD1 LEU A 24 -4.945 -14.351 -5.874 1.00 0.00 C ATOM 373 CD2 LEU A 24 -5.737 -14.352 -3.504 1.00 0.00 C ATOM 0 H LEU A 24 -8.895 -12.881 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.527 -12.588 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.818 -12.394 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.639 -11.941 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.956 -14.650 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.664 -15.398 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.244 -14.169 -6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.094 -13.717 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.449 -15.401 -3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.903 -13.723 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.595 -14.163 -2.859 1.00 0.00 H new ATOM 385 N ASP A 25 -8.014 -9.851 -4.987 1.00 0.00 N ATOM 386 CA ASP A 25 -8.026 -8.390 -4.915 1.00 0.00 C ATOM 387 C ASP A 25 -8.976 -7.920 -3.820 1.00 0.00 C ATOM 388 O ASP A 25 -8.686 -6.972 -3.092 1.00 0.00 O ATOM 389 CB ASP A 25 -8.434 -7.791 -6.261 1.00 0.00 C ATOM 390 CG ASP A 25 -8.387 -6.272 -6.264 1.00 0.00 C ATOM 391 OD1 ASP A 25 -7.289 -5.705 -6.087 1.00 0.00 O ATOM 392 OD2 ASP A 25 -9.445 -5.643 -6.472 1.00 0.00 O ATOM 0 H ASP A 25 -8.375 -10.234 -5.861 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.019 -8.049 -4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.773 -8.173 -7.039 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.443 -8.120 -6.510 1.00 0.00 H new ATOM 397 N TRP A 26 -10.104 -8.606 -3.701 1.00 0.00 N ATOM 398 CA TRP A 26 -11.066 -8.327 -2.639 1.00 0.00 C ATOM 399 C TRP A 26 -10.441 -8.604 -1.273 1.00 0.00 C ATOM 400 O TRP A 26 -10.521 -7.784 -0.354 1.00 0.00 O ATOM 401 CB TRP A 26 -12.322 -9.188 -2.831 1.00 0.00 C ATOM 402 CG TRP A 26 -13.380 -8.966 -1.791 1.00 0.00 C ATOM 403 CD1 TRP A 26 -14.408 -8.069 -1.849 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.522 -9.655 -0.543 1.00 0.00 C ATOM 405 NE1 TRP A 26 -15.176 -8.158 -0.713 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.651 -9.121 0.104 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.802 -10.671 0.094 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -15.076 -9.567 1.350 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -13.225 -11.112 1.333 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.352 -10.560 1.947 1.00 0.00 C ATOM 0 H TRP A 26 -10.378 -9.363 -4.328 1.00 0.00 H new ATOM 0 HA TRP A 26 -11.348 -7.275 -2.686 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -12.745 -8.981 -3.814 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -12.034 -10.239 -2.823 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -14.591 -7.389 -2.668 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -16.004 -7.597 -0.512 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.930 -11.103 -0.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.947 -9.144 1.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.676 -11.895 1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.658 -10.927 2.916 1.00 0.00 H new ATOM 421 N LEU A 27 -9.805 -9.767 -1.160 1.00 0.00 N ATOM 422 CA LEU A 27 -9.179 -10.199 0.085 1.00 0.00 C ATOM 423 C LEU A 27 -8.017 -9.283 0.454 1.00 0.00 C ATOM 424 O LEU A 27 -7.651 -9.167 1.622 1.00 0.00 O ATOM 425 CB LEU A 27 -8.696 -11.646 -0.050 1.00 0.00 C ATOM 426 CG LEU A 27 -8.142 -12.273 1.226 1.00 0.00 C ATOM 427 CD1 LEU A 27 -9.180 -12.234 2.333 1.00 0.00 C ATOM 428 CD2 LEU A 27 -7.705 -13.703 0.961 1.00 0.00 C ATOM 0 H LEU A 27 -9.710 -10.434 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.919 -10.144 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.527 -12.257 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.923 -11.683 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.275 -11.696 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.767 -12.685 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.455 -11.199 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.065 -12.789 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.312 -14.139 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.559 -14.287 0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.930 -13.711 0.195 1.00 0.00 H new ATOM 440 N LYS A 28 -7.455 -8.630 -0.552 1.00 0.00 N ATOM 441 CA LYS A 28 -6.376 -7.675 -0.351 1.00 0.00 C ATOM 442 C LYS A 28 -6.844 -6.538 0.551 1.00 0.00 C ATOM 443 O LYS A 28 -6.135 -6.125 1.469 1.00 0.00 O ATOM 444 CB LYS A 28 -5.913 -7.134 -1.703 1.00 0.00 C ATOM 445 CG LYS A 28 -4.613 -6.349 -1.654 1.00 0.00 C ATOM 446 CD LYS A 28 -4.117 -6.030 -3.054 1.00 0.00 C ATOM 447 CE LYS A 28 -3.950 -7.297 -3.874 1.00 0.00 C ATOM 448 NZ LYS A 28 -3.320 -7.036 -5.193 1.00 0.00 N ATOM 0 H LYS A 28 -7.733 -8.746 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.537 -8.174 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.793 -7.969 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.695 -6.493 -2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.763 -5.424 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.857 -6.923 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.821 -5.362 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.165 -5.503 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.341 -8.009 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.925 -7.761 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.335 -7.906 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.848 -6.289 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.336 -6.730 -5.053 1.00 0.00 H new ATOM 462 N GLU A 29 -8.053 -6.052 0.297 1.00 0.00 N ATOM 463 CA GLU A 29 -8.646 -5.019 1.136 1.00 0.00 C ATOM 464 C GLU A 29 -9.162 -5.626 2.433 1.00 0.00 C ATOM 465 O GLU A 29 -9.138 -4.986 3.484 1.00 0.00 O ATOM 466 CB GLU A 29 -9.806 -4.325 0.424 1.00 0.00 C ATOM 467 CG GLU A 29 -9.452 -3.746 -0.930 1.00 0.00 C ATOM 468 CD GLU A 29 -10.564 -2.873 -1.466 1.00 0.00 C ATOM 469 OE1 GLU A 29 -10.325 -1.665 -1.673 1.00 0.00 O ATOM 470 OE2 GLU A 29 -11.690 -3.384 -1.648 1.00 0.00 O ATOM 0 H GLU A 29 -8.640 -6.355 -0.480 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.869 -4.285 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.619 -5.040 0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.181 -3.524 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.536 -3.161 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.252 -4.555 -1.632 1.00 0.00 H new ATOM 477 N ALA A 30 -9.638 -6.864 2.342 1.00 0.00 N ATOM 478 CA ALA A 30 -10.203 -7.562 3.489 1.00 0.00 C ATOM 479 C ALA A 30 -9.170 -7.767 4.584 1.00 0.00 C ATOM 480 O ALA A 30 -9.445 -7.545 5.760 1.00 0.00 O ATOM 481 CB ALA A 30 -10.786 -8.899 3.057 1.00 0.00 C ATOM 0 H ALA A 30 -9.643 -7.407 1.478 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.000 -6.940 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.205 -9.410 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.571 -8.732 2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.000 -9.514 2.618 1.00 0.00 H new ATOM 487 N LEU A 31 -7.981 -8.189 4.188 1.00 0.00 N ATOM 488 CA LEU A 31 -6.908 -8.418 5.132 1.00 0.00 C ATOM 489 C LEU A 31 -6.181 -7.114 5.438 1.00 0.00 C ATOM 490 O LEU A 31 -5.477 -7.010 6.443 1.00 0.00 O ATOM 491 CB LEU A 31 -5.961 -9.488 4.587 1.00 0.00 C ATOM 492 CG LEU A 31 -6.573 -10.891 4.550 1.00 0.00 C ATOM 493 CD1 LEU A 31 -5.641 -11.879 3.877 1.00 0.00 C ATOM 494 CD2 LEU A 31 -6.914 -11.361 5.957 1.00 0.00 C ATOM 0 H LEU A 31 -7.737 -8.379 3.216 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.321 -8.784 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.653 -9.209 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.060 -9.510 5.201 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.491 -10.840 3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.103 -12.866 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.448 -11.558 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.701 -11.925 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.348 -12.360 5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.008 -11.386 6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.631 -10.674 6.406 1.00 0.00 H new ATOM 506 N GLY A 32 -6.356 -6.127 4.562 1.00 0.00 N ATOM 507 CA GLY A 32 -5.875 -4.783 4.830 1.00 0.00 C ATOM 508 C GLY A 32 -4.390 -4.614 4.588 1.00 0.00 C ATOM 509 O GLY A 32 -3.974 -3.827 3.735 1.00 0.00 O ATOM 0 H GLY A 32 -6.827 -6.237 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.420 -4.078 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.098 -4.525 5.865 1.00 0.00 H new ATOM 513 N ASN A 33 -3.593 -5.348 5.343 1.00 0.00 N ATOM 514 CA ASN A 33 -2.146 -5.246 5.255 1.00 0.00 C ATOM 515 C ASN A 33 -1.599 -6.270 4.280 1.00 0.00 C ATOM 516 O ASN A 33 -2.114 -7.386 4.179 1.00 0.00 O ATOM 517 CB ASN A 33 -1.494 -5.459 6.624 1.00 0.00 C ATOM 518 CG ASN A 33 -1.868 -4.395 7.634 1.00 0.00 C ATOM 519 OD1 ASN A 33 -2.132 -3.247 7.282 1.00 0.00 O ATOM 520 ND2 ASN A 33 -1.871 -4.763 8.903 1.00 0.00 N ATOM 0 H ASN A 33 -3.925 -6.026 6.029 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.909 -4.242 4.902 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.785 -6.436 7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.411 -5.473 6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.098 -4.085 9.630 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.646 -5.725 9.155 1.00 0.00 H new ATOM 527 N ASP A 34 -0.549 -5.885 3.573 1.00 0.00 N ATOM 528 CA ASP A 34 0.136 -6.782 2.649 1.00 0.00 C ATOM 529 C ASP A 34 0.678 -7.992 3.397 1.00 0.00 C ATOM 530 O ASP A 34 0.670 -9.108 2.883 1.00 0.00 O ATOM 531 CB ASP A 34 1.274 -6.046 1.932 1.00 0.00 C ATOM 532 CG ASP A 34 2.374 -5.581 2.868 1.00 0.00 C ATOM 533 OD1 ASP A 34 2.097 -4.737 3.743 1.00 0.00 O ATOM 534 OD2 ASP A 34 3.524 -6.043 2.718 1.00 0.00 O ATOM 0 H ASP A 34 -0.147 -4.949 3.621 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.579 -7.124 1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.704 -6.704 1.177 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.865 -5.183 1.407 1.00 0.00 H new ATOM 539 N GLY A 35 1.131 -7.754 4.620 1.00 0.00 N ATOM 540 CA GLY A 35 1.621 -8.827 5.462 1.00 0.00 C ATOM 541 C GLY A 35 0.543 -9.842 5.803 1.00 0.00 C ATOM 542 O GLY A 35 0.802 -11.046 5.842 1.00 0.00 O ATOM 0 H GLY A 35 1.168 -6.828 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.444 -9.333 4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.023 -8.406 6.384 1.00 0.00 H new ATOM 546 N GLU A 36 -0.672 -9.366 6.043 1.00 0.00 N ATOM 547 CA GLU A 36 -1.774 -10.250 6.384 1.00 0.00 C ATOM 548 C GLU A 36 -2.307 -10.973 5.157 1.00 0.00 C ATOM 549 O GLU A 36 -2.825 -12.079 5.260 1.00 0.00 O ATOM 550 CB GLU A 36 -2.880 -9.467 7.081 1.00 0.00 C ATOM 551 CG GLU A 36 -2.464 -8.975 8.453 1.00 0.00 C ATOM 552 CD GLU A 36 -2.020 -10.113 9.355 1.00 0.00 C ATOM 553 OE1 GLU A 36 -2.887 -10.787 9.949 1.00 0.00 O ATOM 554 OE2 GLU A 36 -0.799 -10.350 9.458 1.00 0.00 O ATOM 0 H GLU A 36 -0.917 -8.376 6.008 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.400 -11.010 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.163 -8.615 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.763 -10.098 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.651 -8.256 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.298 -8.448 8.917 1.00 0.00 H new ATOM 561 N PHE A 37 -2.175 -10.352 3.993 1.00 0.00 N ATOM 562 CA PHE A 37 -2.531 -11.014 2.748 1.00 0.00 C ATOM 563 C PHE A 37 -1.467 -12.059 2.422 1.00 0.00 C ATOM 564 O PHE A 37 -1.769 -13.141 1.923 1.00 0.00 O ATOM 565 CB PHE A 37 -2.681 -9.988 1.618 1.00 0.00 C ATOM 566 CG PHE A 37 -3.282 -10.544 0.352 1.00 0.00 C ATOM 567 CD1 PHE A 37 -4.239 -11.545 0.401 1.00 0.00 C ATOM 568 CD2 PHE A 37 -2.903 -10.050 -0.888 1.00 0.00 C ATOM 569 CE1 PHE A 37 -4.802 -12.047 -0.757 1.00 0.00 C ATOM 570 CE2 PHE A 37 -3.462 -10.551 -2.051 1.00 0.00 C ATOM 571 CZ PHE A 37 -4.415 -11.550 -1.986 1.00 0.00 C ATOM 0 H PHE A 37 -1.827 -9.399 3.886 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.493 -11.515 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.302 -9.165 1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.700 -9.571 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.549 -11.938 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.163 -9.265 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.545 -12.829 -0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.153 -10.161 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.855 -11.940 -2.892 1.00 0.00 H new ATOM 581 N ASP A 38 -0.222 -11.727 2.753 1.00 0.00 N ATOM 582 CA ASP A 38 0.905 -12.652 2.633 1.00 0.00 C ATOM 583 C ASP A 38 0.638 -13.911 3.442 1.00 0.00 C ATOM 584 O ASP A 38 0.991 -15.018 3.036 1.00 0.00 O ATOM 585 CB ASP A 38 2.168 -11.976 3.157 1.00 0.00 C ATOM 586 CG ASP A 38 3.437 -12.730 2.818 1.00 0.00 C ATOM 587 OD1 ASP A 38 3.811 -13.654 3.572 1.00 0.00 O ATOM 588 OD2 ASP A 38 4.084 -12.388 1.808 1.00 0.00 O ATOM 0 H ASP A 38 0.036 -10.808 3.113 1.00 0.00 H new ATOM 0 HA ASP A 38 1.034 -12.923 1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.231 -10.969 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.094 -11.872 4.240 1.00 0.00 H new ATOM 593 N LYS A 39 0.023 -13.709 4.599 1.00 0.00 N ATOM 594 CA LYS A 39 -0.398 -14.800 5.480 1.00 0.00 C ATOM 595 C LYS A 39 -1.182 -15.854 4.697 1.00 0.00 C ATOM 596 O LYS A 39 -0.868 -17.043 4.744 1.00 0.00 O ATOM 597 CB LYS A 39 -1.284 -14.241 6.598 1.00 0.00 C ATOM 598 CG LYS A 39 -1.565 -15.209 7.741 1.00 0.00 C ATOM 599 CD LYS A 39 -0.556 -15.053 8.867 1.00 0.00 C ATOM 600 CE LYS A 39 -0.608 -13.654 9.476 1.00 0.00 C ATOM 601 NZ LYS A 39 -1.919 -13.360 10.122 1.00 0.00 N ATOM 0 H LYS A 39 -0.201 -12.781 4.958 1.00 0.00 H new ATOM 0 HA LYS A 39 0.491 -15.266 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.809 -13.349 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.234 -13.927 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.570 -15.037 8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.538 -16.232 7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.755 -15.795 9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.447 -15.249 8.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.188 -13.553 10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.417 -12.915 8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.356 -12.536 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.546 -14.184 10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.771 -13.154 11.131 1.00 0.00 H new ATOM 615 N PHE A 40 -2.194 -15.394 3.972 1.00 0.00 N ATOM 616 CA PHE A 40 -3.063 -16.265 3.193 1.00 0.00 C ATOM 617 C PHE A 40 -2.318 -16.858 2.003 1.00 0.00 C ATOM 618 O PHE A 40 -2.531 -18.014 1.629 1.00 0.00 O ATOM 619 CB PHE A 40 -4.268 -15.458 2.706 1.00 0.00 C ATOM 620 CG PHE A 40 -5.230 -16.233 1.853 1.00 0.00 C ATOM 621 CD1 PHE A 40 -6.174 -17.069 2.427 1.00 0.00 C ATOM 622 CD2 PHE A 40 -5.196 -16.114 0.475 1.00 0.00 C ATOM 623 CE1 PHE A 40 -7.063 -17.774 1.640 1.00 0.00 C ATOM 624 CE2 PHE A 40 -6.081 -16.818 -0.316 1.00 0.00 C ATOM 625 CZ PHE A 40 -7.018 -17.649 0.268 1.00 0.00 C ATOM 0 H PHE A 40 -2.435 -14.405 3.908 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.396 -17.089 3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.802 -15.068 3.572 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.909 -14.599 2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.215 -17.170 3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.469 -15.463 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.794 -18.423 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.041 -16.720 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.713 -18.199 -0.349 1.00 0.00 H new ATOM 635 N LEU A 41 -1.432 -16.060 1.428 1.00 0.00 N ATOM 636 CA LEU A 41 -0.684 -16.459 0.239 1.00 0.00 C ATOM 637 C LEU A 41 0.414 -17.468 0.571 1.00 0.00 C ATOM 638 O LEU A 41 1.173 -17.878 -0.306 1.00 0.00 O ATOM 639 CB LEU A 41 -0.069 -15.225 -0.421 1.00 0.00 C ATOM 640 CG LEU A 41 -1.071 -14.155 -0.856 1.00 0.00 C ATOM 641 CD1 LEU A 41 -0.348 -12.906 -1.329 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.985 -14.691 -1.947 1.00 0.00 C ATOM 0 H LEU A 41 -1.210 -15.124 1.767 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.381 -16.940 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.640 -14.776 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.500 -15.545 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.684 -13.889 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.078 -12.157 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.262 -12.509 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.292 -13.155 -2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.691 -13.915 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.388 -14.987 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.532 -15.555 -1.571 1.00 0.00 H new ATOM 654 N GLY A 42 0.499 -17.860 1.835 1.00 0.00 N ATOM 655 CA GLY A 42 1.506 -18.813 2.249 1.00 0.00 C ATOM 656 C GLY A 42 0.907 -20.138 2.682 1.00 0.00 C ATOM 657 O GLY A 42 1.473 -20.839 3.524 1.00 0.00 O ATOM 0 H GLY A 42 -0.114 -17.533 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.201 -18.983 1.427 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.083 -18.392 3.072 1.00 0.00 H new ATOM 661 N TYR A 43 -0.238 -20.483 2.110 1.00 0.00 N ATOM 662 CA TYR A 43 -0.921 -21.720 2.457 1.00 0.00 C ATOM 663 C TYR A 43 -0.959 -22.697 1.291 1.00 0.00 C ATOM 664 O TYR A 43 -0.398 -22.440 0.226 1.00 0.00 O ATOM 665 CB TYR A 43 -2.343 -21.437 2.935 1.00 0.00 C ATOM 666 CG TYR A 43 -2.416 -21.018 4.384 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.858 -19.753 4.753 1.00 0.00 C ATOM 668 CD2 TYR A 43 -2.043 -21.901 5.387 1.00 0.00 C ATOM 669 CE1 TYR A 43 -2.925 -19.385 6.083 1.00 0.00 C ATOM 670 CE2 TYR A 43 -2.107 -21.543 6.714 1.00 0.00 C ATOM 671 CZ TYR A 43 -2.551 -20.283 7.061 1.00 0.00 C ATOM 672 OH TYR A 43 -2.616 -19.922 8.388 1.00 0.00 O ATOM 0 H TYR A 43 -0.714 -19.923 1.403 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.352 -22.180 3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.777 -20.653 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.951 -22.330 2.792 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.153 -19.048 3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.696 -22.888 5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.269 -18.398 6.356 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.811 -22.244 7.480 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.318 -20.671 8.946 1.00 0.00 H new ATOM 682 N ASP A 44 -1.621 -23.825 1.515 1.00 0.00 N ATOM 683 CA ASP A 44 -1.782 -24.848 0.486 1.00 0.00 C ATOM 684 C ASP A 44 -2.746 -24.371 -0.584 1.00 0.00 C ATOM 685 O ASP A 44 -3.795 -23.816 -0.265 1.00 0.00 O ATOM 686 CB ASP A 44 -2.343 -26.131 1.095 1.00 0.00 C ATOM 687 CG ASP A 44 -2.129 -27.348 0.218 1.00 0.00 C ATOM 688 OD1 ASP A 44 -2.681 -27.392 -0.898 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.421 -28.281 0.652 1.00 0.00 O ATOM 0 H ASP A 44 -2.059 -24.057 2.407 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.802 -25.040 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.874 -26.302 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.410 -26.004 1.276 1.00 0.00 H new ATOM 694 N GLU A 45 -2.404 -24.613 -1.842 1.00 0.00 N ATOM 695 CA GLU A 45 -3.280 -24.281 -2.954 1.00 0.00 C ATOM 696 C GLU A 45 -4.646 -24.927 -2.786 1.00 0.00 C ATOM 697 O GLU A 45 -5.671 -24.317 -3.091 1.00 0.00 O ATOM 698 CB GLU A 45 -2.662 -24.743 -4.265 1.00 0.00 C ATOM 699 CG GLU A 45 -1.590 -23.816 -4.797 1.00 0.00 C ATOM 700 CD GLU A 45 -0.970 -24.334 -6.074 1.00 0.00 C ATOM 701 OE1 GLU A 45 0.234 -24.670 -6.060 1.00 0.00 O ATOM 702 OE2 GLU A 45 -1.690 -24.432 -7.094 1.00 0.00 O ATOM 0 H GLU A 45 -1.520 -25.041 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.405 -23.198 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.233 -25.735 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.449 -24.839 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.021 -22.831 -4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.813 -23.691 -4.043 1.00 0.00 H new ATOM 709 N SER A 46 -4.655 -26.150 -2.275 1.00 0.00 N ATOM 710 CA SER A 46 -5.891 -26.892 -2.085 1.00 0.00 C ATOM 711 C SER A 46 -6.799 -26.153 -1.108 1.00 0.00 C ATOM 712 O SER A 46 -8.021 -26.149 -1.254 1.00 0.00 O ATOM 713 CB SER A 46 -5.585 -28.291 -1.553 1.00 0.00 C ATOM 714 OG SER A 46 -4.415 -28.824 -2.163 1.00 0.00 O ATOM 0 H SER A 46 -3.815 -26.650 -1.984 1.00 0.00 H new ATOM 0 HA SER A 46 -6.400 -26.981 -3.045 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.450 -28.251 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.432 -28.950 -1.745 1.00 0.00 H new ATOM 0 HG SER A 46 -3.634 -28.621 -1.606 1.00 0.00 H new ATOM 720 N LYS A 47 -6.185 -25.504 -0.130 1.00 0.00 N ATOM 721 CA LYS A 47 -6.926 -24.795 0.894 1.00 0.00 C ATOM 722 C LYS A 47 -7.243 -23.374 0.439 1.00 0.00 C ATOM 723 O LYS A 47 -8.326 -22.855 0.699 1.00 0.00 O ATOM 724 CB LYS A 47 -6.117 -24.794 2.192 1.00 0.00 C ATOM 725 CG LYS A 47 -5.927 -26.190 2.767 1.00 0.00 C ATOM 726 CD LYS A 47 -5.111 -26.177 4.047 1.00 0.00 C ATOM 727 CE LYS A 47 -4.940 -27.580 4.608 1.00 0.00 C ATOM 728 NZ LYS A 47 -4.183 -27.577 5.886 1.00 0.00 N ATOM 0 H LYS A 47 -5.171 -25.456 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.875 -25.300 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.141 -24.346 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.620 -24.168 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.902 -26.636 2.964 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.432 -26.821 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.132 -25.739 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.601 -25.545 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.920 -28.029 4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.420 -28.201 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.204 -28.529 6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.197 -27.300 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.617 -26.900 6.545 1.00 0.00 H new ATOM 742 N ILE A 48 -6.294 -22.764 -0.261 1.00 0.00 N ATOM 743 CA ILE A 48 -6.451 -21.412 -0.776 1.00 0.00 C ATOM 744 C ILE A 48 -7.612 -21.320 -1.768 1.00 0.00 C ATOM 745 O ILE A 48 -8.500 -20.478 -1.622 1.00 0.00 O ATOM 746 CB ILE A 48 -5.148 -20.940 -1.453 1.00 0.00 C ATOM 747 CG1 ILE A 48 -4.047 -20.777 -0.406 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.363 -19.639 -2.212 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.704 -20.396 -0.991 1.00 0.00 C ATOM 0 H ILE A 48 -5.396 -23.193 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.675 -20.763 0.070 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.841 -21.697 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.350 -20.015 0.312 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.941 -21.711 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.427 -19.331 -2.679 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.120 -19.788 -2.982 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.695 -18.865 -1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.972 -20.298 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.378 -21.169 -1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.793 -19.446 -1.519 1.00 0.00 H new ATOM 761 N LYS A 49 -7.612 -22.198 -2.760 1.00 0.00 N ATOM 762 CA LYS A 49 -8.637 -22.181 -3.797 1.00 0.00 C ATOM 763 C LYS A 49 -10.014 -22.503 -3.220 1.00 0.00 C ATOM 764 O LYS A 49 -11.035 -22.029 -3.720 1.00 0.00 O ATOM 765 CB LYS A 49 -8.264 -23.168 -4.902 1.00 0.00 C ATOM 766 CG LYS A 49 -6.926 -22.843 -5.545 1.00 0.00 C ATOM 767 CD LYS A 49 -6.436 -23.948 -6.462 1.00 0.00 C ATOM 768 CE LYS A 49 -5.031 -23.640 -6.962 1.00 0.00 C ATOM 769 NZ LYS A 49 -4.426 -24.772 -7.706 1.00 0.00 N ATOM 0 H LYS A 49 -6.913 -22.933 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.690 -21.178 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.229 -24.176 -4.488 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.041 -23.164 -5.666 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.015 -21.917 -6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.185 -22.668 -4.765 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.439 -24.899 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.115 -24.055 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.064 -22.763 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.395 -23.387 -6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.397 -24.774 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.827 -25.668 -7.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.630 -24.669 -8.721 1.00 0.00 H new ATOM 783 N THR A 50 -10.034 -23.302 -2.162 1.00 0.00 N ATOM 784 CA THR A 50 -11.269 -23.614 -1.458 1.00 0.00 C ATOM 785 C THR A 50 -11.764 -22.397 -0.668 1.00 0.00 C ATOM 786 O THR A 50 -12.958 -22.085 -0.674 1.00 0.00 O ATOM 787 CB THR A 50 -11.071 -24.813 -0.508 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.677 -25.965 -1.266 1.00 0.00 O ATOM 789 CG2 THR A 50 -12.346 -25.118 0.263 1.00 0.00 C ATOM 0 H THR A 50 -9.204 -23.748 -1.771 1.00 0.00 H new ATOM 0 HA THR A 50 -12.020 -23.879 -2.202 1.00 0.00 H new ATOM 0 HB THR A 50 -10.292 -24.558 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.735 -26.168 -1.087 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.177 -25.968 0.925 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.630 -24.248 0.855 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.146 -25.357 -0.437 1.00 0.00 H new ATOM 797 N ALA A 51 -10.834 -21.704 -0.013 1.00 0.00 N ATOM 798 CA ALA A 51 -11.160 -20.516 0.770 1.00 0.00 C ATOM 799 C ALA A 51 -11.716 -19.411 -0.121 1.00 0.00 C ATOM 800 O ALA A 51 -12.746 -18.810 0.187 1.00 0.00 O ATOM 801 CB ALA A 51 -9.927 -20.024 1.520 1.00 0.00 C ATOM 0 H ALA A 51 -9.844 -21.948 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.929 -20.785 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.184 -19.138 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.573 -20.807 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.142 -19.776 0.806 1.00 0.00 H new ATOM 807 N LEU A 52 -11.033 -19.163 -1.233 1.00 0.00 N ATOM 808 CA LEU A 52 -11.449 -18.133 -2.180 1.00 0.00 C ATOM 809 C LEU A 52 -12.816 -18.451 -2.779 1.00 0.00 C ATOM 810 O LEU A 52 -13.645 -17.560 -2.971 1.00 0.00 O ATOM 811 CB LEU A 52 -10.408 -17.981 -3.290 1.00 0.00 C ATOM 812 CG LEU A 52 -9.060 -17.412 -2.837 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.062 -17.431 -3.979 1.00 0.00 C ATOM 814 CD2 LEU A 52 -9.232 -15.997 -2.301 1.00 0.00 C ATOM 0 H LEU A 52 -10.186 -19.663 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.530 -17.191 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.239 -18.957 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.817 -17.333 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.674 -18.040 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.111 -17.023 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.916 -18.457 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.441 -16.827 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.264 -15.608 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.641 -15.358 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.914 -16.010 -1.451 1.00 0.00 H new ATOM 826 N ASP A 53 -13.056 -19.727 -3.059 1.00 0.00 N ATOM 827 CA ASP A 53 -14.340 -20.155 -3.601 1.00 0.00 C ATOM 828 C ASP A 53 -15.456 -19.931 -2.584 1.00 0.00 C ATOM 829 O ASP A 53 -16.568 -19.540 -2.945 1.00 0.00 O ATOM 830 CB ASP A 53 -14.300 -21.624 -4.020 1.00 0.00 C ATOM 831 CG ASP A 53 -15.610 -22.075 -4.635 1.00 0.00 C ATOM 832 OD1 ASP A 53 -16.451 -22.644 -3.908 1.00 0.00 O ATOM 833 OD2 ASP A 53 -15.808 -21.853 -5.849 1.00 0.00 O ATOM 0 H ASP A 53 -12.382 -20.480 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.544 -19.552 -4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.492 -21.775 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.075 -22.243 -3.151 1.00 0.00 H new ATOM 838 N HIS A 54 -15.153 -20.165 -1.311 1.00 0.00 N ATOM 839 CA HIS A 54 -16.122 -19.941 -0.246 1.00 0.00 C ATOM 840 C HIS A 54 -16.514 -18.469 -0.182 1.00 0.00 C ATOM 841 O HIS A 54 -17.691 -18.136 -0.054 1.00 0.00 O ATOM 842 CB HIS A 54 -15.564 -20.390 1.106 1.00 0.00 C ATOM 843 CG HIS A 54 -16.476 -20.080 2.248 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.638 -20.783 2.449 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.368 -19.118 3.190 1.00 0.00 C ATOM 846 CE1 HIS A 54 -18.210 -20.232 3.503 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.477 -19.222 3.985 1.00 0.00 N ATOM 0 H HIS A 54 -14.247 -20.509 -0.993 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.008 -20.535 -0.469 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.379 -21.464 1.078 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.602 -19.905 1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.563 -18.406 3.295 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.151 -20.556 3.923 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.702 -18.640 4.792 1.00 0.00 H new ATOM 855 N ILE A 55 -15.516 -17.599 -0.271 1.00 0.00 N ATOM 856 CA ILE A 55 -15.749 -16.161 -0.297 1.00 0.00 C ATOM 857 C ILE A 55 -16.745 -15.799 -1.401 1.00 0.00 C ATOM 858 O ILE A 55 -17.625 -14.957 -1.209 1.00 0.00 O ATOM 859 CB ILE A 55 -14.431 -15.380 -0.510 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.436 -15.706 0.605 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.696 -13.883 -0.560 1.00 0.00 C ATOM 862 CD1 ILE A 55 -12.096 -15.017 0.451 1.00 0.00 C ATOM 0 H ILE A 55 -14.533 -17.866 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 55 -16.164 -15.879 0.670 1.00 0.00 H new ATOM 0 HB ILE A 55 -14.001 -15.685 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.872 -15.422 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.278 -16.784 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.756 -13.352 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -15.374 -13.661 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.148 -13.562 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.445 -15.298 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.637 -15.320 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.240 -13.937 0.453 1.00 0.00 H new ATOM 874 N LYS A 56 -16.618 -16.466 -2.543 1.00 0.00 N ATOM 875 CA LYS A 56 -17.528 -16.249 -3.662 1.00 0.00 C ATOM 876 C LYS A 56 -18.961 -16.636 -3.292 1.00 0.00 C ATOM 877 O LYS A 56 -19.909 -15.981 -3.718 1.00 0.00 O ATOM 878 CB LYS A 56 -17.067 -17.035 -4.896 1.00 0.00 C ATOM 879 CG LYS A 56 -17.990 -16.883 -6.099 1.00 0.00 C ATOM 880 CD LYS A 56 -17.388 -17.486 -7.361 1.00 0.00 C ATOM 881 CE LYS A 56 -16.975 -18.932 -7.154 1.00 0.00 C ATOM 882 NZ LYS A 56 -16.880 -19.665 -8.442 1.00 0.00 N ATOM 0 H LYS A 56 -15.893 -17.162 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.514 -15.185 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.066 -16.705 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.994 -18.091 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.944 -17.365 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -18.197 -15.826 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.113 -17.428 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.521 -16.900 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.012 -18.966 -6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.697 -19.428 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.467 -20.605 -8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.830 -19.771 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.276 -19.133 -9.101 1.00 0.00 H new ATOM 896 N SER A 57 -19.113 -17.687 -2.491 1.00 0.00 N ATOM 897 CA SER A 57 -20.432 -18.116 -2.039 1.00 0.00 C ATOM 898 C SER A 57 -21.091 -17.011 -1.225 1.00 0.00 C ATOM 899 O SER A 57 -22.184 -16.548 -1.549 1.00 0.00 O ATOM 900 CB SER A 57 -20.332 -19.379 -1.176 1.00 0.00 C ATOM 901 OG SER A 57 -21.613 -19.896 -0.865 1.00 0.00 O ATOM 0 H SER A 57 -18.341 -18.256 -2.143 1.00 0.00 H new ATOM 0 HA SER A 57 -21.033 -18.336 -2.921 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.751 -20.136 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.797 -19.150 -0.254 1.00 0.00 H new ATOM 0 HG SER A 57 -21.516 -20.702 -0.316 1.00 0.00 H new ATOM 907 N GLU A 58 -20.397 -16.577 -0.185 1.00 0.00 N ATOM 908 CA GLU A 58 -20.922 -15.582 0.736 1.00 0.00 C ATOM 909 C GLU A 58 -21.176 -14.254 0.029 1.00 0.00 C ATOM 910 O GLU A 58 -22.108 -13.521 0.373 1.00 0.00 O ATOM 911 CB GLU A 58 -19.946 -15.394 1.894 1.00 0.00 C ATOM 912 CG GLU A 58 -19.610 -16.695 2.606 1.00 0.00 C ATOM 913 CD GLU A 58 -20.850 -17.477 2.986 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.527 -17.090 3.954 1.00 0.00 O ATOM 915 OE2 GLU A 58 -21.164 -18.477 2.307 1.00 0.00 O ATOM 0 H GLU A 58 -19.458 -16.903 0.044 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.877 -15.936 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.027 -14.944 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.373 -14.693 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.980 -17.308 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.031 -16.477 3.503 1.00 0.00 H new ATOM 922 N LEU A 59 -20.351 -13.955 -0.964 1.00 0.00 N ATOM 923 CA LEU A 59 -20.507 -12.740 -1.754 1.00 0.00 C ATOM 924 C LEU A 59 -21.652 -12.871 -2.753 1.00 0.00 C ATOM 925 O LEU A 59 -22.257 -11.874 -3.139 1.00 0.00 O ATOM 926 CB LEU A 59 -19.196 -12.404 -2.471 1.00 0.00 C ATOM 927 CG LEU A 59 -18.367 -11.286 -1.825 1.00 0.00 C ATOM 928 CD1 LEU A 59 -18.437 -11.353 -0.309 1.00 0.00 C ATOM 929 CD2 LEU A 59 -16.922 -11.384 -2.276 1.00 0.00 C ATOM 0 H LEU A 59 -19.563 -14.539 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 59 -20.755 -11.923 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.585 -13.306 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -19.425 -12.118 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 59 -18.785 -10.331 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -17.840 -10.548 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.473 -11.246 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -18.049 -12.313 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.341 -10.587 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.513 -12.350 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.872 -11.286 -3.360 1.00 0.00 H new ATOM 941 N ASP A 60 -21.947 -14.098 -3.163 1.00 0.00 N ATOM 942 CA ASP A 60 -23.081 -14.367 -4.045 1.00 0.00 C ATOM 943 C ASP A 60 -24.379 -14.313 -3.251 1.00 0.00 C ATOM 944 O ASP A 60 -25.397 -13.802 -3.719 1.00 0.00 O ATOM 945 CB ASP A 60 -22.933 -15.742 -4.702 1.00 0.00 C ATOM 946 CG ASP A 60 -24.140 -16.130 -5.537 1.00 0.00 C ATOM 947 OD1 ASP A 60 -25.077 -16.754 -4.989 1.00 0.00 O ATOM 948 OD2 ASP A 60 -24.145 -15.840 -6.752 1.00 0.00 O ATOM 0 H ASP A 60 -21.416 -14.928 -2.899 1.00 0.00 H new ATOM 0 HA ASP A 60 -23.103 -13.606 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -22.045 -15.744 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.776 -16.494 -3.929 1.00 0.00 H new ATOM 953 N LYS A 61 -24.312 -14.835 -2.033 1.00 0.00 N ATOM 954 CA LYS A 61 -25.443 -14.849 -1.113 1.00 0.00 C ATOM 955 C LYS A 61 -25.882 -13.434 -0.743 1.00 0.00 C ATOM 956 O LYS A 61 -26.991 -13.227 -0.254 1.00 0.00 O ATOM 957 CB LYS A 61 -25.065 -15.624 0.150 1.00 0.00 C ATOM 958 CG LYS A 61 -24.887 -17.117 -0.079 1.00 0.00 C ATOM 959 CD LYS A 61 -24.099 -17.772 1.047 1.00 0.00 C ATOM 960 CE LYS A 61 -24.658 -17.400 2.407 1.00 0.00 C ATOM 961 NZ LYS A 61 -23.922 -18.053 3.517 1.00 0.00 N ATOM 0 H LYS A 61 -23.468 -15.263 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 61 -26.280 -15.338 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -24.139 -15.214 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -25.837 -15.471 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -25.865 -17.591 -0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -24.372 -17.281 -1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -24.123 -18.855 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -23.054 -17.467 0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -24.614 -16.318 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -25.709 -17.684 2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -24.585 -18.286 4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -23.473 -18.925 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -23.191 -17.407 3.876 1.00 0.00 H new ATOM 975 N CYS A 62 -25.013 -12.462 -0.976 1.00 0.00 N ATOM 976 CA CYS A 62 -25.328 -11.078 -0.671 1.00 0.00 C ATOM 977 C CYS A 62 -25.234 -10.234 -1.934 1.00 0.00 C ATOM 978 O CYS A 62 -24.141 -9.855 -2.360 1.00 0.00 O ATOM 979 CB CYS A 62 -24.376 -10.538 0.400 1.00 0.00 C ATOM 980 SG CYS A 62 -25.126 -9.306 1.506 1.00 0.00 S ATOM 0 H CYS A 62 -24.086 -12.608 -1.375 1.00 0.00 H new ATOM 0 HA CYS A 62 -26.346 -11.026 -0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -24.009 -11.372 0.998 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -23.511 -10.092 -0.090 1.00 0.00 H new ATOM 985 N ASN A 63 -26.382 -9.947 -2.535 1.00 0.00 N ATOM 986 CA ASN A 63 -26.432 -9.192 -3.773 1.00 0.00 C ATOM 987 C ASN A 63 -27.542 -8.154 -3.703 1.00 0.00 C ATOM 988 O ASN A 63 -28.729 -8.471 -3.681 1.00 0.00 O ATOM 989 CB ASN A 63 -26.592 -10.113 -4.999 1.00 0.00 C ATOM 990 CG ASN A 63 -27.814 -11.015 -4.946 1.00 0.00 C ATOM 991 OD1 ASN A 63 -28.892 -10.656 -5.421 1.00 0.00 O ATOM 992 ND2 ASN A 63 -27.646 -12.207 -4.393 1.00 0.00 N ATOM 0 H ASN A 63 -27.295 -10.230 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 63 -25.481 -8.674 -3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -26.647 -9.497 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -25.700 -10.733 -5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -28.425 -12.864 -4.350 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -26.737 -12.468 -4.010 1.00 0.00 H new ATOM 999 N GLY A 64 -27.119 -6.913 -3.602 1.00 0.00 N ATOM 1000 CA GLY A 64 -28.034 -5.792 -3.538 1.00 0.00 C ATOM 1001 C GLY A 64 -27.292 -4.518 -3.193 1.00 0.00 C ATOM 1002 O GLY A 64 -26.065 -4.490 -3.241 1.00 0.00 O ATOM 0 H GLY A 64 -26.134 -6.652 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -28.542 -5.675 -4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -28.803 -5.985 -2.790 1.00 0.00 H new ATOM 1006 N ASN A 65 -28.016 -3.474 -2.823 1.00 0.00 N ATOM 1007 CA ASN A 65 -27.388 -2.204 -2.472 1.00 0.00 C ATOM 1008 C ASN A 65 -26.820 -2.265 -1.058 1.00 0.00 C ATOM 1009 O ASN A 65 -25.883 -1.545 -0.720 1.00 0.00 O ATOM 1010 CB ASN A 65 -28.381 -1.043 -2.602 1.00 0.00 C ATOM 1011 CG ASN A 65 -29.594 -1.195 -1.701 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -30.596 -1.791 -2.091 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -29.519 -0.637 -0.501 1.00 0.00 N ATOM 0 H ASN A 65 -29.034 -3.477 -2.757 1.00 0.00 H new ATOM 0 HA ASN A 65 -26.570 -2.027 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -27.873 -0.109 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -28.712 -0.970 -3.638 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -30.312 -0.693 0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -28.668 -0.151 -0.217 1.00 0.00 H new ATOM 1020 N ASP A 66 -27.392 -3.137 -0.237 1.00 0.00 N ATOM 1021 CA ASP A 66 -26.918 -3.331 1.129 1.00 0.00 C ATOM 1022 C ASP A 66 -25.742 -4.296 1.141 1.00 0.00 C ATOM 1023 O ASP A 66 -24.978 -4.359 2.105 1.00 0.00 O ATOM 1024 CB ASP A 66 -28.038 -3.871 2.023 1.00 0.00 C ATOM 1025 CG ASP A 66 -29.192 -2.900 2.164 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -30.213 -3.074 1.461 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -29.083 -1.955 2.976 1.00 0.00 O ATOM 0 H ASP A 66 -28.187 -3.723 -0.494 1.00 0.00 H new ATOM 0 HA ASP A 66 -26.598 -2.365 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -28.407 -4.810 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -27.634 -4.094 3.010 1.00 0.00 H new ATOM 1032 N ALA A 67 -25.602 -5.036 0.048 1.00 0.00 N ATOM 1033 CA ALA A 67 -24.517 -5.993 -0.107 1.00 0.00 C ATOM 1034 C ALA A 67 -23.166 -5.298 -0.031 1.00 0.00 C ATOM 1035 O ALA A 67 -22.204 -5.872 0.457 1.00 0.00 O ATOM 1036 CB ALA A 67 -24.650 -6.733 -1.425 1.00 0.00 C ATOM 0 H ALA A 67 -26.234 -4.989 -0.751 1.00 0.00 H new ATOM 0 HA ALA A 67 -24.580 -6.712 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -23.831 -7.445 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -25.600 -7.267 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -24.614 -6.019 -2.248 1.00 0.00 H new ATOM 1042 N ASP A 68 -23.114 -4.055 -0.503 1.00 0.00 N ATOM 1043 CA ASP A 68 -21.876 -3.273 -0.493 1.00 0.00 C ATOM 1044 C ASP A 68 -21.312 -3.187 0.921 1.00 0.00 C ATOM 1045 O ASP A 68 -20.111 -3.346 1.140 1.00 0.00 O ATOM 1046 CB ASP A 68 -22.136 -1.865 -1.046 1.00 0.00 C ATOM 1047 CG ASP A 68 -20.862 -1.056 -1.225 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -20.559 -0.213 -0.357 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -20.170 -1.246 -2.254 1.00 0.00 O ATOM 0 H ASP A 68 -23.916 -3.565 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 68 -21.144 -3.772 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.647 -1.945 -2.005 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.807 -1.333 -0.371 1.00 0.00 H new ATOM 1054 N GLN A 69 -22.201 -2.973 1.883 1.00 0.00 N ATOM 1055 CA GLN A 69 -21.815 -2.894 3.286 1.00 0.00 C ATOM 1056 C GLN A 69 -21.445 -4.270 3.812 1.00 0.00 C ATOM 1057 O GLN A 69 -20.412 -4.440 4.453 1.00 0.00 O ATOM 1058 CB GLN A 69 -22.949 -2.303 4.134 1.00 0.00 C ATOM 1059 CG GLN A 69 -22.993 -0.782 4.143 1.00 0.00 C ATOM 1060 CD GLN A 69 -23.028 -0.184 2.753 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -24.096 0.012 2.172 1.00 0.00 O ATOM 1062 NE2 GLN A 69 -21.855 0.107 2.211 1.00 0.00 N ATOM 0 H GLN A 69 -23.200 -2.850 1.715 1.00 0.00 H new ATOM 0 HA GLN A 69 -20.948 -2.238 3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -23.901 -2.681 3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -22.844 -2.658 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -23.872 -0.453 4.697 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -22.121 -0.402 4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -20.995 -0.072 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -21.812 0.511 1.275 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.284 -5.252 3.516 1.00 0.00 N ATOM 1072 CA GLN A 70 -22.072 -6.610 3.989 1.00 0.00 C ATOM 1073 C GLN A 70 -20.784 -7.210 3.429 1.00 0.00 C ATOM 1074 O GLN A 70 -20.084 -7.936 4.128 1.00 0.00 O ATOM 1075 CB GLN A 70 -23.273 -7.471 3.625 1.00 0.00 C ATOM 1076 CG GLN A 70 -24.541 -7.048 4.341 1.00 0.00 C ATOM 1077 CD GLN A 70 -24.463 -7.286 5.835 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -24.024 -6.423 6.595 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -24.883 -8.466 6.269 1.00 0.00 N ATOM 0 H GLN A 70 -23.122 -5.131 2.947 1.00 0.00 H new ATOM 0 HA GLN A 70 -21.965 -6.582 5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -23.436 -7.422 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -23.055 -8.511 3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -24.727 -5.991 4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.388 -7.598 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -25.240 -9.155 5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -24.849 -8.685 7.265 1.00 0.00 H new ATOM 1088 N LYS A 71 -20.466 -6.899 2.177 1.00 0.00 N ATOM 1089 CA LYS A 71 -19.206 -7.336 1.581 1.00 0.00 C ATOM 1090 C LYS A 71 -18.041 -6.665 2.300 1.00 0.00 C ATOM 1091 O LYS A 71 -16.979 -7.260 2.481 1.00 0.00 O ATOM 1092 CB LYS A 71 -19.150 -6.998 0.085 1.00 0.00 C ATOM 1093 CG LYS A 71 -20.193 -7.714 -0.764 1.00 0.00 C ATOM 1094 CD LYS A 71 -20.155 -7.221 -2.204 1.00 0.00 C ATOM 1095 CE LYS A 71 -21.334 -7.733 -3.020 1.00 0.00 C ATOM 1096 NZ LYS A 71 -21.263 -9.195 -3.273 1.00 0.00 N ATOM 0 H LYS A 71 -21.060 -6.348 1.556 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.136 -8.418 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.277 -5.922 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.159 -7.247 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.012 -8.789 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.185 -7.548 -0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.156 -6.131 -2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.225 -7.543 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -22.261 -7.504 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.368 -7.205 -3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -22.210 -9.612 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.917 -9.364 -4.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.613 -9.634 -2.590 1.00 0.00 H new ATOM 1110 N THR A 72 -18.263 -5.430 2.724 1.00 0.00 N ATOM 1111 CA THR A 72 -17.254 -4.674 3.447 1.00 0.00 C ATOM 1112 C THR A 72 -17.103 -5.204 4.878 1.00 0.00 C ATOM 1113 O THR A 72 -15.999 -5.271 5.418 1.00 0.00 O ATOM 1114 CB THR A 72 -17.606 -3.172 3.458 1.00 0.00 C ATOM 1115 OG1 THR A 72 -17.742 -2.704 2.109 1.00 0.00 O ATOM 1116 CG2 THR A 72 -16.540 -2.351 4.164 1.00 0.00 C ATOM 0 H THR A 72 -19.139 -4.928 2.578 1.00 0.00 H new ATOM 0 HA THR A 72 -16.300 -4.799 2.934 1.00 0.00 H new ATOM 0 HB THR A 72 -18.544 -3.052 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.544 -3.098 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.823 -1.299 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.445 -2.689 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.586 -2.476 3.652 1.00 0.00 H new ATOM 1124 N THR A 73 -18.216 -5.593 5.483 1.00 0.00 N ATOM 1125 CA THR A 73 -18.187 -6.214 6.797 1.00 0.00 C ATOM 1126 C THR A 73 -17.575 -7.613 6.722 1.00 0.00 C ATOM 1127 O THR A 73 -16.845 -8.041 7.621 1.00 0.00 O ATOM 1128 CB THR A 73 -19.604 -6.306 7.399 1.00 0.00 C ATOM 1129 OG1 THR A 73 -20.222 -5.014 7.398 1.00 0.00 O ATOM 1130 CG2 THR A 73 -19.559 -6.848 8.820 1.00 0.00 C ATOM 0 H THR A 73 -19.149 -5.489 5.084 1.00 0.00 H new ATOM 0 HA THR A 73 -17.571 -5.587 7.441 1.00 0.00 H new ATOM 0 HB THR A 73 -20.189 -6.991 6.785 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.369 -4.722 6.474 1.00 0.00 H new ATOM 0 HG21 THR A 73 -20.571 -6.903 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.116 -7.844 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 73 -18.957 -6.186 9.443 1.00 0.00 H new ATOM 1138 N PHE A 74 -17.868 -8.316 5.635 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.344 -9.656 5.416 1.00 0.00 C ATOM 1140 C PHE A 74 -15.826 -9.618 5.317 1.00 0.00 C ATOM 1141 O PHE A 74 -15.147 -10.555 5.730 1.00 0.00 O ATOM 1142 CB PHE A 74 -17.959 -10.255 4.151 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.618 -11.700 3.926 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -17.731 -12.627 4.950 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.210 -12.132 2.679 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -17.437 -13.960 4.727 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -16.911 -13.459 2.451 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.025 -14.374 3.473 1.00 0.00 C ATOM 0 H PHE A 74 -18.471 -7.976 4.886 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.612 -10.288 6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -19.043 -10.153 4.204 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.626 -9.676 3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -18.051 -12.306 5.930 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -17.124 -11.421 1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -17.529 -14.676 5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -16.588 -13.780 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.793 -15.414 3.296 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.307 -8.518 4.784 1.00 0.00 N ATOM 1159 CA LYS A 75 -13.872 -8.273 4.751 1.00 0.00 C ATOM 1160 C LYS A 75 -13.265 -8.439 6.139 1.00 0.00 C ATOM 1161 O LYS A 75 -12.295 -9.171 6.333 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.611 -6.855 4.248 1.00 0.00 C ATOM 1163 CG LYS A 75 -13.780 -6.693 2.751 1.00 0.00 C ATOM 1164 CD LYS A 75 -13.662 -5.235 2.345 1.00 0.00 C ATOM 1165 CE LYS A 75 -13.507 -5.081 0.837 1.00 0.00 C ATOM 1166 NZ LYS A 75 -13.353 -3.655 0.429 1.00 0.00 N ATOM 0 H LYS A 75 -15.866 -7.775 4.365 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.410 -8.997 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.289 -6.169 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.597 -6.563 4.523 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.025 -7.281 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.752 -7.081 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.547 -4.692 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.805 -4.786 2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.638 -5.648 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.377 -5.508 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.705 -3.594 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.281 -3.269 0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.966 -3.106 1.223 1.00 0.00 H new ATOM 1180 N GLN A 76 -13.881 -7.772 7.104 1.00 0.00 N ATOM 1181 CA GLN A 76 -13.426 -7.789 8.475 1.00 0.00 C ATOM 1182 C GLN A 76 -13.658 -9.159 9.101 1.00 0.00 C ATOM 1183 O GLN A 76 -12.925 -9.581 9.993 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.176 -6.714 9.245 1.00 0.00 C ATOM 1185 CG GLN A 76 -13.829 -5.302 8.799 1.00 0.00 C ATOM 1186 CD GLN A 76 -14.771 -4.261 9.366 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -14.552 -3.735 10.456 1.00 0.00 O ATOM 1188 NE2 GLN A 76 -15.819 -3.945 8.622 1.00 0.00 N ATOM 0 H GLN A 76 -14.714 -7.203 6.951 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.355 -7.588 8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.248 -6.872 9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.955 -6.817 10.307 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.809 -5.069 9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.853 -5.253 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.964 -4.405 7.723 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.482 -3.241 8.947 1.00 0.00 H new ATOM 1197 N THR A 77 -14.681 -9.845 8.619 1.00 0.00 N ATOM 1198 CA THR A 77 -14.983 -11.189 9.074 1.00 0.00 C ATOM 1199 C THR A 77 -13.882 -12.157 8.654 1.00 0.00 C ATOM 1200 O THR A 77 -13.401 -12.956 9.457 1.00 0.00 O ATOM 1201 CB THR A 77 -16.330 -11.657 8.503 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.357 -10.720 8.866 1.00 0.00 O ATOM 1203 CG2 THR A 77 -16.693 -13.042 9.017 1.00 0.00 C ATOM 0 H THR A 77 -15.319 -9.489 7.908 1.00 0.00 H new ATOM 0 HA THR A 77 -15.043 -11.174 10.162 1.00 0.00 H new ATOM 0 HB THR A 77 -16.244 -11.709 7.418 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.214 -9.877 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.651 -13.347 8.596 1.00 0.00 H new ATOM 0 HG22 THR A 77 -15.923 -13.754 8.720 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.765 -13.019 10.104 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.474 -12.064 7.392 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.423 -12.919 6.857 1.00 0.00 C ATOM 1213 C VAL A 78 -11.103 -12.700 7.600 1.00 0.00 C ATOM 1214 O VAL A 78 -10.345 -13.644 7.817 1.00 0.00 O ATOM 1215 CB VAL A 78 -12.217 -12.682 5.346 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -11.087 -13.547 4.813 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.500 -12.965 4.579 1.00 0.00 C ATOM 0 H VAL A 78 -13.858 -11.401 6.719 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.743 -13.950 7.004 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.948 -11.635 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.960 -13.363 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.163 -13.301 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.326 -14.598 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.334 -12.792 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.797 -14.002 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.290 -12.304 4.935 1.00 0.00 H new ATOM 1227 N GLN A 79 -10.845 -11.457 7.999 1.00 0.00 N ATOM 1228 CA GLN A 79 -9.670 -11.126 8.795 1.00 0.00 C ATOM 1229 C GLN A 79 -9.582 -12.020 10.030 1.00 0.00 C ATOM 1230 O GLN A 79 -8.540 -12.611 10.311 1.00 0.00 O ATOM 1231 CB GLN A 79 -9.748 -9.662 9.217 1.00 0.00 C ATOM 1232 CG GLN A 79 -8.597 -8.809 8.723 1.00 0.00 C ATOM 1233 CD GLN A 79 -7.279 -9.137 9.404 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -7.249 -9.574 10.554 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -6.177 -8.906 8.713 1.00 0.00 N ATOM 0 H GLN A 79 -11.440 -10.658 7.781 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.776 -11.290 8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.683 -9.239 8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.782 -9.611 10.305 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.487 -8.945 7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.834 -7.758 8.889 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.238 -8.543 7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.265 -9.090 9.131 1.00 0.00 H new ATOM 1244 N GLY A 80 -10.688 -12.132 10.751 1.00 0.00 N ATOM 1245 CA GLY A 80 -10.712 -12.949 11.946 1.00 0.00 C ATOM 1246 C GLY A 80 -10.860 -14.425 11.631 1.00 0.00 C ATOM 1247 O GLY A 80 -10.513 -15.281 12.444 1.00 0.00 O ATOM 0 H GLY A 80 -11.570 -11.671 10.529 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.793 -12.791 12.510 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.537 -12.631 12.584 1.00 0.00 H new ATOM 1251 N ALA A 81 -11.360 -14.722 10.440 1.00 0.00 N ATOM 1252 CA ALA A 81 -11.577 -16.099 10.021 1.00 0.00 C ATOM 1253 C ALA A 81 -10.266 -16.759 9.605 1.00 0.00 C ATOM 1254 O ALA A 81 -10.135 -17.981 9.642 1.00 0.00 O ATOM 1255 CB ALA A 81 -12.590 -16.150 8.887 1.00 0.00 C ATOM 0 H ALA A 81 -11.624 -14.024 9.744 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.975 -16.656 10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.744 -17.185 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.536 -15.727 9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.217 -15.574 8.040 1.00 0.00 H new ATOM 1261 N LEU A 82 -9.299 -15.938 9.215 1.00 0.00 N ATOM 1262 CA LEU A 82 -7.968 -16.412 8.847 1.00 0.00 C ATOM 1263 C LEU A 82 -6.970 -16.072 9.949 1.00 0.00 C ATOM 1264 O LEU A 82 -5.784 -15.864 9.690 1.00 0.00 O ATOM 1265 CB LEU A 82 -7.522 -15.775 7.526 1.00 0.00 C ATOM 1266 CG LEU A 82 -8.307 -16.209 6.289 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.875 -15.391 5.082 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -8.109 -17.695 6.023 1.00 0.00 C ATOM 0 H LEU A 82 -9.413 -14.927 9.144 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.006 -17.494 8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.597 -14.692 7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.469 -16.008 7.367 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.367 -16.033 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.441 -15.708 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.063 -14.334 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.811 -15.543 4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.676 -17.985 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.051 -17.897 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.459 -18.268 6.882 1.00 0.00 H new ATOM 1280 N SER A 83 -7.462 -16.037 11.182 1.00 0.00 N ATOM 1281 CA SER A 83 -6.647 -15.667 12.329 1.00 0.00 C ATOM 1282 C SER A 83 -5.503 -16.656 12.559 1.00 0.00 C ATOM 1283 O SER A 83 -4.391 -16.257 12.903 1.00 0.00 O ATOM 1284 CB SER A 83 -7.526 -15.569 13.579 1.00 0.00 C ATOM 1285 OG SER A 83 -8.450 -16.643 13.640 1.00 0.00 O ATOM 0 H SER A 83 -8.430 -16.263 11.412 1.00 0.00 H new ATOM 0 HA SER A 83 -6.198 -14.695 12.122 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.898 -15.575 14.470 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.065 -14.622 13.575 1.00 0.00 H new ATOM 0 HG SER A 83 -9.303 -16.363 13.247 1.00 0.00 H new ATOM 1291 N GLY A 84 -5.767 -17.942 12.356 1.00 0.00 N ATOM 1292 CA GLY A 84 -4.750 -18.942 12.622 1.00 0.00 C ATOM 1293 C GLY A 84 -5.030 -20.266 11.950 1.00 0.00 C ATOM 1294 O GLY A 84 -4.933 -21.323 12.577 1.00 0.00 O ATOM 0 H GLY A 84 -6.657 -18.307 12.016 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.784 -18.567 12.285 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.674 -19.097 13.698 1.00 0.00 H new ATOM 1298 N GLY A 85 -5.365 -20.221 10.672 1.00 0.00 N ATOM 1299 CA GLY A 85 -5.644 -21.436 9.939 1.00 0.00 C ATOM 1300 C GLY A 85 -6.484 -21.166 8.713 1.00 0.00 C ATOM 1301 O GLY A 85 -7.289 -20.236 8.708 1.00 0.00 O ATOM 0 H GLY A 85 -5.449 -19.363 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.706 -21.906 9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.163 -22.142 10.588 1.00 0.00 H new ATOM 1305 N ILE A 86 -6.306 -21.966 7.674 1.00 0.00 N ATOM 1306 CA ILE A 86 -7.036 -21.763 6.431 1.00 0.00 C ATOM 1307 C ILE A 86 -8.020 -22.908 6.175 1.00 0.00 C ATOM 1308 O ILE A 86 -9.061 -22.715 5.551 1.00 0.00 O ATOM 1309 CB ILE A 86 -6.072 -21.611 5.237 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -6.849 -21.245 3.971 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.268 -22.886 5.029 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -5.965 -20.930 2.791 1.00 0.00 C ATOM 0 H ILE A 86 -5.665 -22.759 7.665 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.604 -20.838 6.534 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.373 -20.804 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.510 -22.071 3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.483 -20.383 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.594 -22.757 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.687 -23.100 5.926 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.946 -23.716 4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.584 -20.679 1.929 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.322 -20.084 3.034 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.350 -21.798 2.555 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.703 -24.096 6.674 1.00 0.00 N ATOM 1325 CA ASP A 87 -8.600 -25.235 6.544 1.00 0.00 C ATOM 1326 C ASP A 87 -9.722 -25.156 7.568 1.00 0.00 C ATOM 1327 O ASP A 87 -10.711 -25.882 7.481 1.00 0.00 O ATOM 1328 CB ASP A 87 -7.832 -26.544 6.688 1.00 0.00 C ATOM 1329 CG ASP A 87 -6.847 -26.525 7.830 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -5.680 -26.155 7.591 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -7.223 -26.882 8.962 1.00 0.00 O ATOM 0 H ASP A 87 -6.834 -24.295 7.171 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.044 -25.207 5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.539 -27.360 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.300 -26.751 5.760 1.00 0.00 H new ATOM 1336 N GLY A 88 -9.559 -24.266 8.539 1.00 0.00 N ATOM 1337 CA GLY A 88 -10.627 -23.982 9.475 1.00 0.00 C ATOM 1338 C GLY A 88 -11.528 -22.880 8.958 1.00 0.00 C ATOM 1339 O GLY A 88 -12.557 -22.568 9.555 1.00 0.00 O ATOM 0 H GLY A 88 -8.702 -23.735 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.213 -24.885 9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.204 -23.689 10.436 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.132 -22.301 7.832 1.00 0.00 N ATOM 1344 CA PHE A 89 -11.878 -21.226 7.209 1.00 0.00 C ATOM 1345 C PHE A 89 -13.000 -21.796 6.354 1.00 0.00 C ATOM 1346 O PHE A 89 -12.778 -22.682 5.529 1.00 0.00 O ATOM 1347 CB PHE A 89 -10.943 -20.365 6.350 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.632 -19.241 5.619 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -12.146 -19.434 4.344 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -11.753 -17.991 6.200 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -12.775 -18.406 3.672 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -12.381 -16.958 5.533 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.890 -17.163 4.265 1.00 0.00 C ATOM 0 H PHE A 89 -10.285 -22.566 7.329 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.314 -20.601 7.988 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.166 -19.945 6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.445 -21.005 5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.052 -20.401 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.351 -17.821 7.188 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.177 -18.573 2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.474 -15.990 6.002 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.376 -16.355 3.739 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.198 -21.289 6.563 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.337 -21.725 5.789 1.00 0.00 C ATOM 1365 C GLY A 90 -16.634 -21.324 6.439 1.00 0.00 C ATOM 1366 O GLY A 90 -16.664 -20.382 7.231 1.00 0.00 O ATOM 0 H GLY A 90 -14.406 -20.576 7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.283 -21.297 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.307 -22.808 5.674 1.00 0.00 H new ATOM 1370 N SER A 91 -17.701 -22.055 6.144 1.00 0.00 N ATOM 1371 CA SER A 91 -19.018 -21.753 6.690 1.00 0.00 C ATOM 1372 C SER A 91 -19.061 -21.997 8.202 1.00 0.00 C ATOM 1373 O SER A 91 -20.075 -21.755 8.856 1.00 0.00 O ATOM 1374 CB SER A 91 -20.068 -22.610 5.986 1.00 0.00 C ATOM 1375 OG SER A 91 -19.912 -22.547 4.579 1.00 0.00 O ATOM 0 H SER A 91 -17.680 -22.866 5.526 1.00 0.00 H new ATOM 0 HA SER A 91 -19.232 -20.698 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.982 -23.644 6.319 1.00 0.00 H new ATOM 0 HB3 SER A 91 -21.066 -22.268 6.261 1.00 0.00 H new ATOM 0 HG SER A 91 -20.594 -23.104 4.149 1.00 0.00 H new ATOM 1381 N ASN A 92 -17.941 -22.457 8.750 1.00 0.00 N ATOM 1382 CA ASN A 92 -17.840 -22.742 10.171 1.00 0.00 C ATOM 1383 C ASN A 92 -17.616 -21.459 10.957 1.00 0.00 C ATOM 1384 O ASN A 92 -18.073 -21.329 12.091 1.00 0.00 O ATOM 1385 CB ASN A 92 -16.685 -23.713 10.449 1.00 0.00 C ATOM 1386 CG ASN A 92 -16.826 -25.037 9.725 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -17.934 -25.508 9.464 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -15.698 -25.645 9.390 1.00 0.00 N ATOM 0 H ASN A 92 -17.086 -22.640 8.224 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.777 -23.201 10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.746 -23.244 10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.626 -23.898 11.522 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.727 -26.537 8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.801 -25.221 9.625 1.00 0.00 H new ATOM 1395 N ASN A 93 -16.912 -20.507 10.350 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.516 -19.295 11.061 1.00 0.00 C ATOM 1397 C ASN A 93 -16.678 -18.033 10.212 1.00 0.00 C ATOM 1398 O ASN A 93 -16.582 -16.922 10.729 1.00 0.00 O ATOM 1399 CB ASN A 93 -15.064 -19.420 11.543 1.00 0.00 C ATOM 1400 CG ASN A 93 -14.050 -19.444 10.408 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -14.350 -19.850 9.281 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -12.829 -19.032 10.710 1.00 0.00 N ATOM 0 H ASN A 93 -16.607 -20.550 9.378 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.184 -19.193 11.916 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.836 -18.586 12.206 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.961 -20.332 12.131 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.097 -19.043 10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.620 -18.704 11.653 1.00 0.00 H new ATOM 1409 N ALA A 94 -16.925 -18.195 8.919 1.00 0.00 N ATOM 1410 CA ALA A 94 -17.084 -17.046 8.038 1.00 0.00 C ATOM 1411 C ALA A 94 -18.332 -17.192 7.179 1.00 0.00 C ATOM 1412 O ALA A 94 -18.344 -17.959 6.217 1.00 0.00 O ATOM 1413 CB ALA A 94 -15.855 -16.874 7.157 1.00 0.00 C ATOM 0 H ALA A 94 -17.019 -19.101 8.460 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.196 -16.157 8.658 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.992 -16.011 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.977 -16.720 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.715 -17.768 6.550 1.00 0.00 H new ATOM 1419 N VAL A 95 -19.380 -16.465 7.536 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.644 -16.523 6.808 1.00 0.00 C ATOM 1421 C VAL A 95 -21.249 -15.142 6.626 1.00 0.00 C ATOM 1422 O VAL A 95 -21.070 -14.256 7.466 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.693 -17.411 7.519 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -21.375 -18.884 7.327 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -21.767 -17.070 9.002 1.00 0.00 C ATOM 0 H VAL A 95 -19.382 -15.824 8.329 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.401 -16.957 5.838 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.666 -17.212 7.069 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -22.126 -19.488 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.378 -19.121 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.392 -19.101 7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -22.510 -17.705 9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.793 -17.236 9.463 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -22.051 -16.024 9.121 1.00 0.00 H new ATOM 1435 N THR A 96 -21.942 -14.957 5.516 1.00 0.00 N ATOM 1436 CA THR A 96 -22.763 -13.777 5.325 1.00 0.00 C ATOM 1437 C THR A 96 -24.214 -14.084 5.686 1.00 0.00 C ATOM 1438 O THR A 96 -24.852 -14.953 5.085 1.00 0.00 O ATOM 1439 CB THR A 96 -22.692 -13.245 3.878 1.00 0.00 C ATOM 1440 OG1 THR A 96 -22.883 -14.315 2.945 1.00 0.00 O ATOM 1441 CG2 THR A 96 -21.359 -12.558 3.614 1.00 0.00 C ATOM 0 H THR A 96 -21.952 -15.611 4.733 1.00 0.00 H new ATOM 0 HA THR A 96 -22.371 -13.002 5.984 1.00 0.00 H new ATOM 0 HB THR A 96 -23.488 -12.512 3.749 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.670 -14.003 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.335 -12.192 2.587 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.239 -11.720 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.547 -13.269 3.765 1.00 0.00 H new ATOM 1449 N THR A 97 -24.718 -13.382 6.687 1.00 0.00 N ATOM 1450 CA THR A 97 -26.095 -13.533 7.139 1.00 0.00 C ATOM 1451 C THR A 97 -27.081 -12.794 6.227 1.00 0.00 C ATOM 1452 O THR A 97 -28.135 -12.341 6.675 1.00 0.00 O ATOM 1453 CB THR A 97 -26.225 -12.995 8.574 1.00 0.00 C ATOM 1454 OG1 THR A 97 -25.513 -11.756 8.684 1.00 0.00 O ATOM 1455 CG2 THR A 97 -25.673 -13.994 9.578 1.00 0.00 C ATOM 0 H THR A 97 -24.184 -12.689 7.212 1.00 0.00 H new ATOM 0 HA THR A 97 -26.342 -14.594 7.107 1.00 0.00 H new ATOM 0 HB THR A 97 -27.281 -12.836 8.793 1.00 0.00 H new ATOM 0 HG1 THR A 97 -25.596 -11.411 9.597 1.00 0.00 H new ATOM 0 HG21 THR A 97 -25.776 -13.592 10.586 1.00 0.00 H new ATOM 0 HG22 THR A 97 -26.227 -14.930 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 97 -24.620 -14.178 9.367 1.00 0.00 H new ATOM 1463 N CYS A 98 -26.751 -12.698 4.945 1.00 0.00 N ATOM 1464 CA CYS A 98 -27.586 -11.970 3.997 1.00 0.00 C ATOM 1465 C CYS A 98 -28.752 -12.825 3.514 1.00 0.00 C ATOM 1466 O CYS A 98 -28.641 -13.547 2.523 1.00 0.00 O ATOM 1467 CB CYS A 98 -26.758 -11.502 2.800 1.00 0.00 C ATOM 1468 SG CYS A 98 -25.419 -10.340 3.229 1.00 0.00 S ATOM 0 H CYS A 98 -25.913 -13.114 4.538 1.00 0.00 H new ATOM 0 HA CYS A 98 -27.989 -11.100 4.516 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -26.325 -12.373 2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -27.421 -11.025 2.078 1.00 0.00 H new