USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 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 68 TYR OH : rot 180:sc= -0.0469 USER MOD Set 1.2: A 100 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=-0.047) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= -0.0342 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 33 GLN : amide:sc= -0.23 K(o=-3.4,f=-4.6) USER MOD Set 3.2: A 36 ASN : amide:sc= -3.21 K(o=-3.4,f=-4.6!) USER MOD Set 4.1: A 12 TYR OH : rot 30:sc= 0.118 USER MOD Set 4.2: A 102 LYS NZ :NH3+ -167:sc= 0.124 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 18 HIS : no HD1:sc= -0.165 X(o=-0.17,f=0.026) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= -0.662 (180deg=-1.65!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.0012) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -96:sc= -0.837 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 154:sc= -0.203 (180deg=-1.54!) USER MOD Single : A 67 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.45) USER MOD Single : A 69 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.26) USER MOD Single : A 73 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.6!) USER MOD Single : A 75 GLN : amide:sc= -0.948 X(o=-0.95,f=-0.88) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 146:sc= -1.47 (180deg=-1.89) USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= 0.0294 (180deg=0.00101) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.194 K(o=-0.19,f=-8.7!) USER MOD Single : A 93 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.7!) USER MOD Single : A 101 LYS NZ :NH3+ -137:sc=-0.00371 (180deg=-0.614) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 7.127 7.708 4.628 1.00 0.00 N ATOM 88 CA SER A 9 6.881 6.394 4.046 1.00 0.00 C ATOM 89 C SER A 9 7.290 5.285 5.011 1.00 0.00 C ATOM 90 O SER A 9 8.074 5.510 5.933 1.00 0.00 O ATOM 91 CB SER A 9 7.642 6.244 2.728 1.00 0.00 C ATOM 92 OG SER A 9 6.954 6.881 1.666 1.00 0.00 O ATOM 0 HA SER A 9 5.812 6.307 3.852 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.639 6.674 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.773 5.187 2.498 1.00 0.00 H new ATOM 0 HG SER A 9 7.462 6.772 0.835 1.00 0.00 H new ATOM 98 N LEU A 10 6.754 4.089 4.793 1.00 0.00 N ATOM 99 CA LEU A 10 7.063 2.945 5.643 1.00 0.00 C ATOM 100 C LEU A 10 8.185 2.107 5.041 1.00 0.00 C ATOM 101 O LEU A 10 8.415 2.136 3.832 1.00 0.00 O ATOM 102 CB LEU A 10 5.815 2.082 5.843 1.00 0.00 C ATOM 103 CG LEU A 10 4.934 2.482 7.029 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.462 2.366 6.665 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.254 1.624 8.244 1.00 0.00 C ATOM 0 H LEU A 10 6.103 3.887 4.034 1.00 0.00 H new ATOM 0 HA LEU A 10 7.396 3.321 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.215 2.122 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.126 1.046 5.974 1.00 0.00 H new ATOM 0 HG LEU A 10 5.144 3.522 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.852 2.655 7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.242 3.024 5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.236 1.336 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.618 1.922 9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.073 0.576 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.300 1.759 8.519 1.00 0.00 H new ATOM 117 N LYS A 11 8.881 1.360 5.892 1.00 0.00 N ATOM 118 CA LYS A 11 9.980 0.514 5.443 1.00 0.00 C ATOM 119 C LYS A 11 9.919 -0.857 6.111 1.00 0.00 C ATOM 120 O LYS A 11 10.191 -0.990 7.304 1.00 0.00 O ATOM 121 CB LYS A 11 11.324 1.183 5.744 1.00 0.00 C ATOM 122 CG LYS A 11 12.331 1.057 4.614 1.00 0.00 C ATOM 123 CD LYS A 11 11.802 1.664 3.326 1.00 0.00 C ATOM 124 CE LYS A 11 12.923 1.939 2.336 1.00 0.00 C ATOM 125 NZ LYS A 11 13.543 3.275 2.557 1.00 0.00 N ATOM 0 H LYS A 11 8.703 1.324 6.896 1.00 0.00 H new ATOM 0 HA LYS A 11 9.884 0.378 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.156 2.239 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.746 0.742 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.260 1.553 4.896 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.567 0.005 4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.076 0.988 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.277 2.593 3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.685 1.165 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.532 1.884 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.302 3.424 1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.821 4.015 2.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.939 3.319 3.518 1.00 0.00 H new ATOM 139 N TYR A 12 9.562 -1.873 5.333 1.00 0.00 N ATOM 140 CA TYR A 12 9.467 -3.234 5.847 1.00 0.00 C ATOM 141 C TYR A 12 9.893 -4.247 4.791 1.00 0.00 C ATOM 142 O TYR A 12 9.321 -4.300 3.702 1.00 0.00 O ATOM 143 CB TYR A 12 8.038 -3.528 6.308 1.00 0.00 C ATOM 144 CG TYR A 12 7.695 -2.916 7.648 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.522 -3.101 8.749 1.00 0.00 C ATOM 146 CD2 TYR A 12 6.546 -2.153 7.810 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.213 -2.543 9.974 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.231 -1.590 9.033 1.00 0.00 C ATOM 149 CZ TYR A 12 7.066 -1.789 10.112 1.00 0.00 C ATOM 150 OH TYR A 12 6.755 -1.231 11.330 1.00 0.00 O ATOM 0 H TYR A 12 9.334 -1.779 4.343 1.00 0.00 H new ATOM 0 HA TYR A 12 10.141 -3.322 6.699 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.340 -3.155 5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.899 -4.608 6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.421 -3.691 8.645 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.888 -1.997 6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.866 -2.696 10.820 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.335 -0.997 9.143 1.00 0.00 H new ATOM 0 HH TYR A 12 7.580 -1.037 11.821 1.00 0.00 H new ATOM 160 N THR A 13 10.901 -5.047 5.119 1.00 0.00 N ATOM 161 CA THR A 13 11.406 -6.059 4.198 1.00 0.00 C ATOM 162 C THR A 13 10.464 -7.257 4.136 1.00 0.00 C ATOM 163 O THR A 13 9.577 -7.408 4.977 1.00 0.00 O ATOM 164 CB THR A 13 12.802 -6.515 4.623 1.00 0.00 C ATOM 165 OG1 THR A 13 12.913 -6.540 6.035 1.00 0.00 O ATOM 166 CG2 THR A 13 13.908 -5.629 4.092 1.00 0.00 C ATOM 0 H THR A 13 11.385 -5.015 6.016 1.00 0.00 H new ATOM 0 HA THR A 13 11.464 -5.613 3.205 1.00 0.00 H new ATOM 0 HB THR A 13 12.922 -7.512 4.199 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.813 -6.836 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.872 -6.008 4.430 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.881 -5.627 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.768 -4.613 4.460 1.00 0.00 H new ATOM 174 N ALA A 14 10.660 -8.106 3.132 1.00 0.00 N ATOM 175 CA ALA A 14 9.828 -9.291 2.960 1.00 0.00 C ATOM 176 C ALA A 14 9.928 -10.214 4.169 1.00 0.00 C ATOM 177 O ALA A 14 8.958 -10.878 4.539 1.00 0.00 O ATOM 178 CB ALA A 14 10.224 -10.033 1.693 1.00 0.00 C ATOM 0 H ALA A 14 11.387 -7.995 2.426 1.00 0.00 H new ATOM 0 HA ALA A 14 8.791 -8.966 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.595 -10.916 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.093 -9.378 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.268 -10.338 1.761 1.00 0.00 H new ATOM 184 N ALA A 15 11.106 -10.252 4.782 1.00 0.00 N ATOM 185 CA ALA A 15 11.332 -11.094 5.951 1.00 0.00 C ATOM 186 C ALA A 15 10.529 -10.597 7.148 1.00 0.00 C ATOM 187 O ALA A 15 10.018 -11.391 7.938 1.00 0.00 O ATOM 188 CB ALA A 15 12.814 -11.139 6.289 1.00 0.00 C ATOM 0 H ALA A 15 11.919 -9.710 4.489 1.00 0.00 H new ATOM 0 HA ALA A 15 10.994 -12.103 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.969 -11.771 7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.368 -11.547 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.169 -10.131 6.502 1.00 0.00 H new ATOM 194 N ARG A 16 10.421 -9.279 7.276 1.00 0.00 N ATOM 195 CA ARG A 16 9.679 -8.676 8.377 1.00 0.00 C ATOM 196 C ARG A 16 8.190 -8.989 8.265 1.00 0.00 C ATOM 197 O ARG A 16 7.526 -9.266 9.264 1.00 0.00 O ATOM 198 CB ARG A 16 9.898 -7.161 8.398 1.00 0.00 C ATOM 199 CG ARG A 16 10.533 -6.656 9.683 1.00 0.00 C ATOM 200 CD ARG A 16 9.538 -6.652 10.832 1.00 0.00 C ATOM 201 NE ARG A 16 10.203 -6.596 12.132 1.00 0.00 N ATOM 202 CZ ARG A 16 9.597 -6.234 13.260 1.00 0.00 C ATOM 203 NH1 ARG A 16 8.314 -5.896 13.253 1.00 0.00 N ATOM 204 NH2 ARG A 16 10.276 -6.209 14.399 1.00 0.00 N ATOM 0 H ARG A 16 10.838 -8.608 6.631 1.00 0.00 H new ATOM 0 HA ARG A 16 10.050 -9.101 9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.531 -6.882 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.940 -6.662 8.255 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.385 -7.285 9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.916 -5.647 9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.870 -5.797 10.730 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.920 -7.548 10.779 1.00 0.00 H new ATOM 0 HE ARG A 16 11.190 -6.849 12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.787 -5.913 12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.855 -5.619 14.121 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.263 -6.467 14.410 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.812 -5.931 15.264 1.00 0.00 H new ATOM 218 N LEU A 17 7.672 -8.945 7.041 1.00 0.00 N ATOM 219 CA LEU A 17 6.262 -9.224 6.797 1.00 0.00 C ATOM 220 C LEU A 17 5.965 -10.711 6.968 1.00 0.00 C ATOM 221 O LEU A 17 4.907 -11.088 7.470 1.00 0.00 O ATOM 222 CB LEU A 17 5.866 -8.771 5.391 1.00 0.00 C ATOM 223 CG LEU A 17 6.181 -7.309 5.069 1.00 0.00 C ATOM 224 CD1 LEU A 17 6.196 -7.085 3.565 1.00 0.00 C ATOM 225 CD2 LEU A 17 5.171 -6.388 5.736 1.00 0.00 C ATOM 0 H LEU A 17 8.208 -8.719 6.203 1.00 0.00 H new ATOM 0 HA LEU A 17 5.675 -8.668 7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.375 -9.405 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.796 -8.933 5.261 1.00 0.00 H new ATOM 0 HG LEU A 17 7.171 -7.076 5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.422 -6.039 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.957 -7.719 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.220 -7.336 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.410 -5.352 5.497 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.170 -6.623 5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.208 -6.529 6.816 1.00 0.00 H new ATOM 237 N HIS A 18 6.906 -11.549 6.545 1.00 0.00 N ATOM 238 CA HIS A 18 6.745 -12.994 6.651 1.00 0.00 C ATOM 239 C HIS A 18 6.573 -13.417 8.107 1.00 0.00 C ATOM 240 O HIS A 18 5.693 -14.213 8.432 1.00 0.00 O ATOM 241 CB HIS A 18 7.952 -13.709 6.040 1.00 0.00 C ATOM 242 CG HIS A 18 7.749 -15.183 5.867 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.649 -16.124 6.319 1.00 0.00 N ATOM 244 CD2 HIS A 18 6.741 -15.876 5.287 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.205 -17.333 6.024 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.049 -17.210 5.398 1.00 0.00 N ATOM 0 H HIS A 18 7.787 -11.252 6.126 1.00 0.00 H new ATOM 0 HA HIS A 18 5.847 -13.276 6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.175 -13.265 5.070 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.823 -13.542 6.674 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.859 -15.458 4.824 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.703 -18.263 6.255 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.477 -17.981 5.053 1.00 0.00 H new ATOM 255 N GLU A 19 7.418 -12.876 8.977 1.00 0.00 N ATOM 256 CA GLU A 19 7.360 -13.196 10.400 1.00 0.00 C ATOM 257 C GLU A 19 6.031 -12.750 11.002 1.00 0.00 C ATOM 258 O GLU A 19 5.474 -13.424 11.867 1.00 0.00 O ATOM 259 CB GLU A 19 8.519 -12.528 11.142 1.00 0.00 C ATOM 260 CG GLU A 19 9.881 -12.830 10.539 1.00 0.00 C ATOM 261 CD GLU A 19 10.764 -13.646 11.464 1.00 0.00 C ATOM 262 OE1 GLU A 19 10.323 -14.730 11.900 1.00 0.00 O ATOM 263 OE2 GLU A 19 11.894 -13.200 11.752 1.00 0.00 O ATOM 0 H GLU A 19 8.151 -12.214 8.723 1.00 0.00 H new ATOM 0 HA GLU A 19 7.444 -14.277 10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.364 -11.449 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.511 -12.855 12.182 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.747 -13.370 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.383 -11.893 10.298 1.00 0.00 H new ATOM 270 N LYS A 20 5.531 -11.610 10.539 1.00 0.00 N ATOM 271 CA LYS A 20 4.267 -11.073 11.032 1.00 0.00 C ATOM 272 C LYS A 20 3.091 -11.904 10.530 1.00 0.00 C ATOM 273 O LYS A 20 2.068 -12.020 11.205 1.00 0.00 O ATOM 274 CB LYS A 20 4.102 -9.617 10.592 1.00 0.00 C ATOM 275 CG LYS A 20 5.138 -8.680 11.191 1.00 0.00 C ATOM 276 CD LYS A 20 5.051 -7.290 10.582 1.00 0.00 C ATOM 277 CE LYS A 20 5.409 -6.212 11.594 1.00 0.00 C ATOM 278 NZ LYS A 20 4.243 -5.342 11.914 1.00 0.00 N ATOM 0 H LYS A 20 5.981 -11.040 9.823 1.00 0.00 H new ATOM 0 HA LYS A 20 4.282 -11.117 12.121 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.163 -9.565 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.107 -9.272 10.872 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.992 -8.616 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.136 -9.088 11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.723 -7.224 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.042 -7.118 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.775 -6.679 12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.221 -5.601 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.337 -4.978 12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.211 -4.545 11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.366 -5.895 11.835 1.00 0.00 H new ATOM 292 N GLY A 21 3.243 -12.480 9.342 1.00 0.00 N ATOM 293 CA GLY A 21 2.185 -13.292 8.770 1.00 0.00 C ATOM 294 C GLY A 21 1.613 -12.697 7.498 1.00 0.00 C ATOM 295 O GLY A 21 0.963 -13.395 6.718 1.00 0.00 O ATOM 0 H GLY A 21 4.080 -12.399 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.572 -14.289 8.558 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.386 -13.409 9.502 1.00 0.00 H new ATOM 299 N VAL A 22 1.852 -11.406 7.284 1.00 0.00 N ATOM 300 CA VAL A 22 1.353 -10.722 6.097 1.00 0.00 C ATOM 301 C VAL A 22 1.843 -11.402 4.822 1.00 0.00 C ATOM 302 O VAL A 22 1.056 -11.989 4.079 1.00 0.00 O ATOM 303 CB VAL A 22 1.786 -9.243 6.076 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.134 -8.510 4.912 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.449 -8.567 7.398 1.00 0.00 C ATOM 0 H VAL A 22 2.388 -10.813 7.918 1.00 0.00 H new ATOM 0 HA VAL A 22 0.265 -10.774 6.137 1.00 0.00 H new ATOM 0 HB VAL A 22 2.867 -9.203 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.452 -7.467 4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.433 -8.978 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.050 -8.559 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.762 -7.524 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.374 -8.617 7.569 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.969 -9.075 8.210 1.00 0.00 H new ATOM 315 N LEU A 23 3.146 -11.322 4.576 1.00 0.00 N ATOM 316 CA LEU A 23 3.739 -11.932 3.391 1.00 0.00 C ATOM 317 C LEU A 23 3.748 -13.453 3.510 1.00 0.00 C ATOM 318 O LEU A 23 4.157 -14.003 4.532 1.00 0.00 O ATOM 319 CB LEU A 23 5.164 -11.415 3.183 1.00 0.00 C ATOM 320 CG LEU A 23 5.774 -11.732 1.817 1.00 0.00 C ATOM 321 CD1 LEU A 23 5.025 -10.998 0.715 1.00 0.00 C ATOM 322 CD2 LEU A 23 7.250 -11.367 1.796 1.00 0.00 C ATOM 0 H LEU A 23 3.812 -10.841 5.181 1.00 0.00 H new ATOM 0 HA LEU A 23 3.132 -11.657 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.166 -10.334 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.804 -11.838 3.957 1.00 0.00 H new ATOM 0 HG LEU A 23 5.683 -12.803 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.473 -11.235 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.980 -11.308 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.085 -9.923 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.668 -11.599 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.364 -10.302 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.777 -11.938 2.560 1.00 0.00 H new ATOM 334 N LEU A 24 3.294 -14.126 2.457 1.00 0.00 N ATOM 335 CA LEU A 24 3.249 -15.583 2.444 1.00 0.00 C ATOM 336 C LEU A 24 4.498 -16.162 1.789 1.00 0.00 C ATOM 337 O LEU A 24 5.327 -16.785 2.452 1.00 0.00 O ATOM 338 CB LEU A 24 2.000 -16.070 1.707 1.00 0.00 C ATOM 339 CG LEU A 24 0.678 -15.508 2.234 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.406 -15.612 1.173 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.257 -16.237 3.501 1.00 0.00 C ATOM 0 H LEU A 24 2.953 -13.686 1.603 1.00 0.00 H new ATOM 0 HA LEU A 24 3.210 -15.928 3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.094 -15.809 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.964 -17.158 1.764 1.00 0.00 H new ATOM 0 HG LEU A 24 0.823 -14.455 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.339 -15.208 1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.107 -15.045 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.550 -16.658 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.685 -15.825 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.130 -17.298 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.024 -16.112 4.265 1.00 0.00 H new ATOM 353 N GLU A 25 4.628 -15.952 0.483 1.00 0.00 N ATOM 354 CA GLU A 25 5.777 -16.454 -0.262 1.00 0.00 C ATOM 355 C GLU A 25 5.970 -15.672 -1.557 1.00 0.00 C ATOM 356 O GLU A 25 5.208 -14.753 -1.859 1.00 0.00 O ATOM 357 CB GLU A 25 5.600 -17.941 -0.572 1.00 0.00 C ATOM 358 CG GLU A 25 5.761 -18.839 0.643 1.00 0.00 C ATOM 359 CD GLU A 25 5.806 -20.310 0.279 1.00 0.00 C ATOM 360 OE1 GLU A 25 6.435 -20.649 -0.746 1.00 0.00 O ATOM 361 OE2 GLU A 25 5.213 -21.124 1.019 1.00 0.00 O ATOM 0 H GLU A 25 3.952 -15.438 -0.081 1.00 0.00 H new ATOM 0 HA GLU A 25 6.665 -16.322 0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.611 -18.099 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.327 -18.235 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.677 -18.571 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.934 -18.664 1.332 1.00 0.00 H new ATOM 368 N ILE A 26 6.993 -16.045 -2.320 1.00 0.00 N ATOM 369 CA ILE A 26 7.286 -15.380 -3.583 1.00 0.00 C ATOM 370 C ILE A 26 7.624 -16.394 -4.671 1.00 0.00 C ATOM 371 O ILE A 26 8.382 -17.336 -4.441 1.00 0.00 O ATOM 372 CB ILE A 26 8.458 -14.390 -3.439 1.00 0.00 C ATOM 373 CG1 ILE A 26 8.242 -13.484 -2.226 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.609 -13.561 -4.706 1.00 0.00 C ATOM 375 CD1 ILE A 26 9.473 -12.697 -1.831 1.00 0.00 C ATOM 0 H ILE A 26 7.632 -16.804 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 26 6.389 -14.830 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 26 9.377 -14.956 -3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.430 -12.789 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.923 -14.093 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.441 -12.866 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.803 -14.221 -5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.691 -13.001 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.246 -12.077 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.281 -13.385 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.780 -12.061 -2.661 1.00 0.00 H new ATOM 387 N GLU A 27 7.056 -16.196 -5.855 1.00 0.00 N ATOM 388 CA GLU A 27 7.296 -17.093 -6.979 1.00 0.00 C ATOM 389 C GLU A 27 8.544 -16.678 -7.752 1.00 0.00 C ATOM 390 O GLU A 27 8.493 -16.450 -8.961 1.00 0.00 O ATOM 391 CB GLU A 27 6.083 -17.112 -7.912 1.00 0.00 C ATOM 392 CG GLU A 27 5.005 -18.097 -7.491 1.00 0.00 C ATOM 393 CD GLU A 27 4.106 -18.505 -8.642 1.00 0.00 C ATOM 394 OE1 GLU A 27 4.585 -19.224 -9.544 1.00 0.00 O ATOM 395 OE2 GLU A 27 2.923 -18.105 -8.642 1.00 0.00 O ATOM 0 H GLU A 27 6.425 -15.421 -6.061 1.00 0.00 H new ATOM 0 HA GLU A 27 7.455 -18.096 -6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.652 -16.112 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.415 -17.359 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.475 -18.986 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.399 -17.652 -6.702 1.00 0.00 H new ATOM 402 N ASP A 28 9.666 -16.581 -7.046 1.00 0.00 N ATOM 403 CA ASP A 28 10.929 -16.193 -7.665 1.00 0.00 C ATOM 404 C ASP A 28 12.061 -16.198 -6.642 1.00 0.00 C ATOM 405 O ASP A 28 13.181 -16.612 -6.943 1.00 0.00 O ATOM 406 CB ASP A 28 10.807 -14.807 -8.300 1.00 0.00 C ATOM 407 CG ASP A 28 10.283 -13.768 -7.328 1.00 0.00 C ATOM 408 OD1 ASP A 28 11.008 -13.435 -6.368 1.00 0.00 O ATOM 409 OD2 ASP A 28 9.147 -13.289 -7.528 1.00 0.00 O ATOM 0 H ASP A 28 9.727 -16.766 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 28 11.162 -16.921 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.783 -14.494 -8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.141 -14.863 -9.161 1.00 0.00 H new ATOM 414 N LEU A 29 11.761 -15.735 -5.433 1.00 0.00 N ATOM 415 CA LEU A 29 12.753 -15.686 -4.365 1.00 0.00 C ATOM 416 C LEU A 29 12.370 -16.620 -3.222 1.00 0.00 C ATOM 417 O LEU A 29 11.237 -17.096 -3.148 1.00 0.00 O ATOM 418 CB LEU A 29 12.898 -14.254 -3.844 1.00 0.00 C ATOM 419 CG LEU A 29 13.740 -13.327 -4.722 1.00 0.00 C ATOM 420 CD1 LEU A 29 13.709 -11.906 -4.181 1.00 0.00 C ATOM 421 CD2 LEU A 29 15.170 -13.835 -4.813 1.00 0.00 C ATOM 0 H LEU A 29 10.839 -15.388 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 29 13.708 -16.016 -4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.904 -13.821 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.342 -14.289 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 29 13.314 -13.320 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.314 -11.261 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.681 -11.544 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.110 -11.894 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.755 -13.164 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.607 -13.871 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.174 -14.835 -5.248 1.00 0.00 H new ATOM 433 N GLN A 30 13.323 -16.878 -2.332 1.00 0.00 N ATOM 434 CA GLN A 30 13.086 -17.755 -1.190 1.00 0.00 C ATOM 435 C GLN A 30 13.099 -16.965 0.114 1.00 0.00 C ATOM 436 O GLN A 30 13.438 -15.781 0.130 1.00 0.00 O ATOM 437 CB GLN A 30 14.143 -18.859 -1.142 1.00 0.00 C ATOM 438 CG GLN A 30 13.967 -19.918 -2.219 1.00 0.00 C ATOM 439 CD GLN A 30 15.288 -20.474 -2.710 1.00 0.00 C ATOM 440 OE1 GLN A 30 15.754 -20.132 -3.797 1.00 0.00 O ATOM 441 NE2 GLN A 30 15.901 -21.339 -1.910 1.00 0.00 N ATOM 0 H GLN A 30 14.266 -16.493 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 30 12.102 -18.208 -1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.131 -18.409 -1.244 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.111 -19.339 -0.164 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.358 -20.732 -1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.422 -19.489 -3.060 1.00 0.00 H new ATOM 0 HE21 GLN A 30 15.479 -21.595 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.793 -21.747 -2.188 1.00 0.00 H new ATOM 450 N VAL A 31 12.729 -17.626 1.206 1.00 0.00 N ATOM 451 CA VAL A 31 12.697 -16.986 2.516 1.00 0.00 C ATOM 452 C VAL A 31 14.054 -16.383 2.870 1.00 0.00 C ATOM 453 O VAL A 31 14.133 -15.398 3.604 1.00 0.00 O ATOM 454 CB VAL A 31 12.290 -17.981 3.618 1.00 0.00 C ATOM 455 CG1 VAL A 31 12.059 -17.257 4.936 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.048 -18.757 3.204 1.00 0.00 C ATOM 0 H VAL A 31 12.447 -18.606 1.209 1.00 0.00 H new ATOM 0 HA VAL A 31 11.953 -16.192 2.459 1.00 0.00 H new ATOM 0 HB VAL A 31 13.105 -18.691 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.772 -17.978 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.976 -16.751 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.263 -16.522 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.775 -19.455 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.225 -18.063 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.253 -19.309 2.287 1.00 0.00 H new ATOM 466 N ASN A 32 15.118 -16.980 2.344 1.00 0.00 N ATOM 467 CA ASN A 32 16.471 -16.501 2.605 1.00 0.00 C ATOM 468 C ASN A 32 16.739 -15.192 1.867 1.00 0.00 C ATOM 469 O ASN A 32 17.547 -14.374 2.307 1.00 0.00 O ATOM 470 CB ASN A 32 17.496 -17.555 2.186 1.00 0.00 C ATOM 471 CG ASN A 32 18.912 -17.168 2.567 1.00 0.00 C ATOM 472 OD1 ASN A 32 19.413 -17.561 3.621 1.00 0.00 O ATOM 473 ND2 ASN A 32 19.565 -16.392 1.710 1.00 0.00 N ATOM 0 H ASN A 32 15.070 -17.796 1.734 1.00 0.00 H new ATOM 0 HA ASN A 32 16.564 -16.318 3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.245 -18.508 2.652 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.440 -17.703 1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.520 -16.098 1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.111 -16.090 0.848 1.00 0.00 H new ATOM 480 N GLN A 33 16.058 -15.001 0.742 1.00 0.00 N ATOM 481 CA GLN A 33 16.224 -13.792 -0.058 1.00 0.00 C ATOM 482 C GLN A 33 15.279 -12.682 0.404 1.00 0.00 C ATOM 483 O GLN A 33 15.408 -11.533 -0.017 1.00 0.00 O ATOM 484 CB GLN A 33 15.981 -14.099 -1.536 1.00 0.00 C ATOM 485 CG GLN A 33 16.824 -15.247 -2.066 1.00 0.00 C ATOM 486 CD GLN A 33 17.891 -14.788 -3.040 1.00 0.00 C ATOM 487 OE1 GLN A 33 18.299 -13.627 -3.030 1.00 0.00 O ATOM 488 NE2 GLN A 33 18.347 -15.700 -3.890 1.00 0.00 N ATOM 0 H GLN A 33 15.386 -15.668 0.363 1.00 0.00 H new ATOM 0 HA GLN A 33 17.248 -13.443 0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.927 -14.336 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 33 16.190 -13.205 -2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.298 -15.761 -1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.175 -15.971 -2.559 1.00 0.00 H new ATOM 0 HE21 GLN A 33 17.980 -16.651 -3.863 1.00 0.00 H new ATOM 0 HE22 GLN A 33 19.064 -15.449 -4.570 1.00 0.00 H new ATOM 497 N PHE A 34 14.329 -13.028 1.271 1.00 0.00 N ATOM 498 CA PHE A 34 13.368 -12.054 1.783 1.00 0.00 C ATOM 499 C PHE A 34 14.078 -10.834 2.365 1.00 0.00 C ATOM 500 O PHE A 34 13.525 -9.734 2.386 1.00 0.00 O ATOM 501 CB PHE A 34 12.480 -12.698 2.850 1.00 0.00 C ATOM 502 CG PHE A 34 11.230 -13.328 2.300 1.00 0.00 C ATOM 503 CD1 PHE A 34 11.238 -13.961 1.066 1.00 0.00 C ATOM 504 CD2 PHE A 34 10.047 -13.289 3.020 1.00 0.00 C ATOM 505 CE1 PHE A 34 10.090 -14.542 0.562 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.896 -13.868 2.521 1.00 0.00 C ATOM 507 CZ PHE A 34 8.918 -14.495 1.290 1.00 0.00 C ATOM 0 H PHE A 34 14.205 -13.974 1.633 1.00 0.00 H new ATOM 0 HA PHE A 34 12.747 -11.724 0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.056 -13.457 3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.202 -11.941 3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.152 -14.000 0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.024 -12.800 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.110 -15.032 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.980 -13.831 3.092 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.019 -14.948 0.898 1.00 0.00 H new ATOM 517 N LYS A 35 15.303 -11.036 2.838 1.00 0.00 N ATOM 518 CA LYS A 35 16.085 -9.952 3.421 1.00 0.00 C ATOM 519 C LYS A 35 16.454 -8.914 2.366 1.00 0.00 C ATOM 520 O LYS A 35 16.551 -7.722 2.661 1.00 0.00 O ATOM 521 CB LYS A 35 17.354 -10.505 4.073 1.00 0.00 C ATOM 522 CG LYS A 35 17.164 -10.913 5.525 1.00 0.00 C ATOM 523 CD LYS A 35 18.468 -11.387 6.146 1.00 0.00 C ATOM 524 CE LYS A 35 18.562 -12.904 6.151 1.00 0.00 C ATOM 525 NZ LYS A 35 19.973 -13.373 6.250 1.00 0.00 N ATOM 0 H LYS A 35 15.776 -11.940 2.829 1.00 0.00 H new ATOM 0 HA LYS A 35 15.473 -9.467 4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.698 -11.368 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.140 -9.752 4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.775 -10.068 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.421 -11.708 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.309 -10.971 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.543 -11.013 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.988 -13.301 6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.111 -13.299 5.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.994 -14.413 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 20.515 -13.016 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 20.396 -13.018 7.131 1.00 0.00 H new ATOM 539 N ASN A 36 16.658 -9.373 1.135 1.00 0.00 N ATOM 540 CA ASN A 36 17.016 -8.481 0.037 1.00 0.00 C ATOM 541 C ASN A 36 15.777 -8.052 -0.745 1.00 0.00 C ATOM 542 O ASN A 36 15.773 -8.059 -1.975 1.00 0.00 O ATOM 543 CB ASN A 36 18.017 -9.164 -0.898 1.00 0.00 C ATOM 544 CG ASN A 36 17.502 -10.486 -1.430 1.00 0.00 C ATOM 545 OD1 ASN A 36 16.447 -10.546 -2.062 1.00 0.00 O ATOM 546 ND2 ASN A 36 18.248 -11.556 -1.177 1.00 0.00 N ATOM 0 H ASN A 36 16.582 -10.356 0.873 1.00 0.00 H new ATOM 0 HA ASN A 36 17.478 -7.590 0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 36 18.240 -8.501 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 36 18.953 -9.330 -0.365 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.953 -12.474 -1.511 1.00 0.00 H new ATOM 0 HD22 ASN A 36 19.115 -11.460 -0.649 1.00 0.00 H new ATOM 553 N VAL A 37 14.728 -7.678 -0.020 1.00 0.00 N ATOM 554 CA VAL A 37 13.483 -7.244 -0.643 1.00 0.00 C ATOM 555 C VAL A 37 12.728 -6.273 0.258 1.00 0.00 C ATOM 556 O VAL A 37 12.050 -6.684 1.200 1.00 0.00 O ATOM 557 CB VAL A 37 12.568 -8.441 -0.967 1.00 0.00 C ATOM 558 CG1 VAL A 37 11.373 -7.991 -1.792 1.00 0.00 C ATOM 559 CG2 VAL A 37 13.348 -9.527 -1.694 1.00 0.00 C ATOM 0 H VAL A 37 14.715 -7.667 1.000 1.00 0.00 H new ATOM 0 HA VAL A 37 13.753 -6.741 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 37 12.198 -8.856 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.738 -8.850 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.802 -7.251 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.721 -7.549 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.686 -10.364 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.749 -9.126 -2.625 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.169 -9.870 -1.064 1.00 0.00 H new ATOM 569 N ILE A 38 12.852 -4.983 -0.036 1.00 0.00 N ATOM 570 CA ILE A 38 12.181 -3.954 0.750 1.00 0.00 C ATOM 571 C ILE A 38 10.934 -3.441 0.036 1.00 0.00 C ATOM 572 O ILE A 38 10.911 -3.324 -1.188 1.00 0.00 O ATOM 573 CB ILE A 38 13.123 -2.767 1.043 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.443 -1.763 1.977 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.550 -2.089 -0.253 1.00 0.00 C ATOM 576 CD1 ILE A 38 12.328 -2.250 3.405 1.00 0.00 C ATOM 0 H ILE A 38 13.410 -4.626 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 38 11.889 -4.415 1.693 1.00 0.00 H new ATOM 0 HB ILE A 38 14.015 -3.149 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.004 -0.829 1.964 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.446 -1.541 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.214 -1.255 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.073 -2.807 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.669 -1.719 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.837 -1.489 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.741 -3.168 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.323 -2.445 3.804 1.00 0.00 H new ATOM 588 N PHE A 39 9.899 -3.135 0.813 1.00 0.00 N ATOM 589 CA PHE A 39 8.647 -2.633 0.257 1.00 0.00 C ATOM 590 C PHE A 39 8.352 -1.226 0.767 1.00 0.00 C ATOM 591 O PHE A 39 7.922 -1.046 1.906 1.00 0.00 O ATOM 592 CB PHE A 39 7.493 -3.570 0.619 1.00 0.00 C ATOM 593 CG PHE A 39 7.638 -4.951 0.044 1.00 0.00 C ATOM 594 CD1 PHE A 39 8.597 -5.822 0.536 1.00 0.00 C ATOM 595 CD2 PHE A 39 6.815 -5.377 -0.986 1.00 0.00 C ATOM 596 CE1 PHE A 39 8.732 -7.093 0.010 1.00 0.00 C ATOM 597 CE2 PHE A 39 6.946 -6.647 -1.516 1.00 0.00 C ATOM 598 CZ PHE A 39 7.906 -7.505 -1.016 1.00 0.00 C ATOM 0 H PHE A 39 9.903 -3.226 1.829 1.00 0.00 H new ATOM 0 HA PHE A 39 8.749 -2.594 -0.828 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.422 -3.643 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.558 -3.135 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.246 -5.504 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.063 -4.709 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 39 9.483 -7.763 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.299 -6.968 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.010 -8.498 -1.428 1.00 0.00 H new ATOM 608 N GLU A 40 8.587 -0.233 -0.085 1.00 0.00 N ATOM 609 CA GLU A 40 8.348 1.158 0.281 1.00 0.00 C ATOM 610 C GLU A 40 6.886 1.536 0.062 1.00 0.00 C ATOM 611 O GLU A 40 6.341 1.342 -1.026 1.00 0.00 O ATOM 612 CB GLU A 40 9.253 2.084 -0.533 1.00 0.00 C ATOM 613 CG GLU A 40 9.640 3.357 0.201 1.00 0.00 C ATOM 614 CD GLU A 40 10.345 4.356 -0.696 1.00 0.00 C ATOM 615 OE1 GLU A 40 11.198 3.930 -1.502 1.00 0.00 O ATOM 616 OE2 GLU A 40 10.044 5.563 -0.592 1.00 0.00 O ATOM 0 H GLU A 40 8.942 -0.366 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 40 8.579 1.273 1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.159 1.543 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.746 2.349 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.745 3.818 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.290 3.105 1.039 1.00 0.00 H new ATOM 623 N ILE A 41 6.257 2.075 1.100 1.00 0.00 N ATOM 624 CA ILE A 41 4.861 2.481 1.023 1.00 0.00 C ATOM 625 C ILE A 41 4.703 3.965 1.337 1.00 0.00 C ATOM 626 O ILE A 41 5.175 4.446 2.367 1.00 0.00 O ATOM 627 CB ILE A 41 3.981 1.667 1.992 1.00 0.00 C ATOM 628 CG1 ILE A 41 4.303 0.175 1.881 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.507 1.919 1.707 1.00 0.00 C ATOM 630 CD1 ILE A 41 3.738 -0.651 3.016 1.00 0.00 C ATOM 0 H ILE A 41 6.694 2.241 2.007 1.00 0.00 H new ATOM 0 HA ILE A 41 4.534 2.290 0.001 1.00 0.00 H new ATOM 0 HB ILE A 41 4.195 1.990 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.912 -0.204 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.385 0.046 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.898 1.337 2.399 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.288 2.979 1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.278 1.621 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.005 -1.698 2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.149 -0.299 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.653 -0.552 3.033 1.00 0.00 H new ATOM 642 N SER A 42 4.038 4.687 0.441 1.00 0.00 N ATOM 643 CA SER A 42 3.820 6.118 0.623 1.00 0.00 C ATOM 644 C SER A 42 2.386 6.400 1.068 1.00 0.00 C ATOM 645 O SER A 42 1.443 6.212 0.300 1.00 0.00 O ATOM 646 CB SER A 42 4.117 6.868 -0.676 1.00 0.00 C ATOM 647 OG SER A 42 5.201 6.277 -1.372 1.00 0.00 O ATOM 0 H SER A 42 3.641 4.305 -0.418 1.00 0.00 H new ATOM 0 HA SER A 42 4.498 6.467 1.402 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.231 6.868 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.349 7.909 -0.453 1.00 0.00 H new ATOM 0 HG SER A 42 5.369 6.775 -2.199 1.00 0.00 H new ATOM 653 N PRO A 43 2.199 6.857 2.320 1.00 0.00 N ATOM 654 CA PRO A 43 0.869 7.163 2.856 1.00 0.00 C ATOM 655 C PRO A 43 0.278 8.432 2.249 1.00 0.00 C ATOM 656 O PRO A 43 0.817 9.525 2.425 1.00 0.00 O ATOM 657 CB PRO A 43 1.126 7.357 4.350 1.00 0.00 C ATOM 658 CG PRO A 43 2.542 7.809 4.431 1.00 0.00 C ATOM 659 CD PRO A 43 3.264 7.113 3.310 1.00 0.00 C ATOM 0 HA PRO A 43 0.148 6.377 2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.449 8.097 4.776 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.973 6.430 4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.612 8.892 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.979 7.552 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.056 7.736 2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.730 6.187 3.647 1.00 0.00 H new ATOM 667 N THR A 44 -0.832 8.280 1.534 1.00 0.00 N ATOM 668 CA THR A 44 -1.494 9.413 0.901 1.00 0.00 C ATOM 669 C THR A 44 -2.312 10.203 1.919 1.00 0.00 C ATOM 670 O THR A 44 -2.409 9.819 3.084 1.00 0.00 O ATOM 671 CB THR A 44 -2.400 8.934 -0.234 1.00 0.00 C ATOM 672 OG1 THR A 44 -3.560 8.306 0.281 1.00 0.00 O ATOM 673 CG2 THR A 44 -1.723 7.953 -1.166 1.00 0.00 C ATOM 0 H THR A 44 -1.291 7.383 1.379 1.00 0.00 H new ATOM 0 HA THR A 44 -0.725 10.067 0.491 1.00 0.00 H new ATOM 0 HB THR A 44 -2.654 9.831 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.424 7.336 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.421 7.653 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.851 8.424 -1.619 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.409 7.074 -0.603 1.00 0.00 H new ATOM 681 N GLU A 45 -2.897 11.308 1.470 1.00 0.00 N ATOM 682 CA GLU A 45 -3.708 12.152 2.342 1.00 0.00 C ATOM 683 C GLU A 45 -5.152 11.663 2.379 1.00 0.00 C ATOM 684 O GLU A 45 -5.788 11.654 3.434 1.00 0.00 O ATOM 685 CB GLU A 45 -3.660 13.605 1.869 1.00 0.00 C ATOM 686 CG GLU A 45 -4.263 13.817 0.489 1.00 0.00 C ATOM 687 CD GLU A 45 -4.035 15.221 -0.036 1.00 0.00 C ATOM 688 OE1 GLU A 45 -4.650 16.164 0.505 1.00 0.00 O ATOM 689 OE2 GLU A 45 -3.243 15.378 -0.989 1.00 0.00 O ATOM 0 H GLU A 45 -2.825 11.641 0.508 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.297 12.093 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.190 14.230 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.623 13.941 1.859 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.831 13.098 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.334 13.617 0.530 1.00 0.00 H new ATOM 696 N GLU A 46 -5.664 11.257 1.222 1.00 0.00 N ATOM 697 CA GLU A 46 -7.034 10.766 1.122 1.00 0.00 C ATOM 698 C GLU A 46 -7.168 9.395 1.778 1.00 0.00 C ATOM 699 O GLU A 46 -6.295 8.540 1.635 1.00 0.00 O ATOM 700 CB GLU A 46 -7.464 10.686 -0.343 1.00 0.00 C ATOM 701 CG GLU A 46 -8.969 10.597 -0.532 1.00 0.00 C ATOM 702 CD GLU A 46 -9.413 11.069 -1.903 1.00 0.00 C ATOM 703 OE1 GLU A 46 -8.578 11.065 -2.832 1.00 0.00 O ATOM 704 OE2 GLU A 46 -10.596 11.443 -2.048 1.00 0.00 O ATOM 0 H GLU A 46 -5.151 11.258 0.340 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.684 11.467 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.091 11.564 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.996 9.815 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.290 9.566 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.464 11.196 0.232 1.00 0.00 H new ATOM 711 N VAL A 47 -8.267 9.195 2.499 1.00 0.00 N ATOM 712 CA VAL A 47 -8.514 7.929 3.176 1.00 0.00 C ATOM 713 C VAL A 47 -8.946 6.852 2.184 1.00 0.00 C ATOM 714 O VAL A 47 -9.788 7.093 1.319 1.00 0.00 O ATOM 715 CB VAL A 47 -9.593 8.077 4.267 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.921 8.500 3.658 1.00 0.00 C ATOM 717 CG2 VAL A 47 -9.745 6.781 5.052 1.00 0.00 C ATOM 0 H VAL A 47 -8.999 9.893 2.629 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.577 7.630 3.645 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.275 8.857 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.668 8.598 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.800 9.457 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.248 7.748 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.511 6.907 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.036 5.978 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.796 6.530 5.527 1.00 0.00 H new ATOM 727 N GLY A 48 -8.364 5.665 2.315 1.00 0.00 N ATOM 728 CA GLY A 48 -8.701 4.570 1.425 1.00 0.00 C ATOM 729 C GLY A 48 -7.629 4.321 0.382 1.00 0.00 C ATOM 730 O GLY A 48 -7.452 3.193 -0.078 1.00 0.00 O ATOM 0 H GLY A 48 -7.664 5.442 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.852 3.663 2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.645 4.788 0.926 1.00 0.00 H new ATOM 734 N ASP A 49 -6.913 5.376 0.007 1.00 0.00 N ATOM 735 CA ASP A 49 -5.853 5.265 -0.988 1.00 0.00 C ATOM 736 C ASP A 49 -4.550 4.798 -0.346 1.00 0.00 C ATOM 737 O ASP A 49 -4.173 5.266 0.728 1.00 0.00 O ATOM 738 CB ASP A 49 -5.638 6.610 -1.686 1.00 0.00 C ATOM 739 CG ASP A 49 -5.117 6.449 -3.100 1.00 0.00 C ATOM 740 OD1 ASP A 49 -5.352 5.380 -3.703 1.00 0.00 O ATOM 741 OD2 ASP A 49 -4.473 7.392 -3.607 1.00 0.00 O ATOM 0 H ASP A 49 -7.048 6.317 0.377 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.158 4.524 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.579 7.159 -1.709 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.934 7.208 -1.108 1.00 0.00 H new ATOM 746 N PHE A 50 -3.867 3.873 -1.013 1.00 0.00 N ATOM 747 CA PHE A 50 -2.606 3.343 -0.509 1.00 0.00 C ATOM 748 C PHE A 50 -1.580 3.217 -1.630 1.00 0.00 C ATOM 749 O PHE A 50 -1.696 2.350 -2.496 1.00 0.00 O ATOM 750 CB PHE A 50 -2.828 1.980 0.150 1.00 0.00 C ATOM 751 CG PHE A 50 -3.839 2.007 1.261 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.510 2.529 2.501 1.00 0.00 C ATOM 753 CD2 PHE A 50 -5.117 1.509 1.065 1.00 0.00 C ATOM 754 CE1 PHE A 50 -4.438 2.554 3.526 1.00 0.00 C ATOM 755 CE2 PHE A 50 -6.048 1.531 2.084 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.708 2.054 3.317 1.00 0.00 C ATOM 0 H PHE A 50 -4.166 3.475 -1.903 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.220 4.040 0.235 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.153 1.268 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.878 1.617 0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.518 2.921 2.669 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.388 1.099 0.103 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.170 2.964 4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.041 1.140 1.918 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.434 2.072 4.116 1.00 0.00 H new ATOM 766 N GLU A 51 -0.576 4.087 -1.609 1.00 0.00 N ATOM 767 CA GLU A 51 0.470 4.073 -2.625 1.00 0.00 C ATOM 768 C GLU A 51 1.618 3.158 -2.211 1.00 0.00 C ATOM 769 O GLU A 51 2.407 3.495 -1.328 1.00 0.00 O ATOM 770 CB GLU A 51 0.994 5.490 -2.868 1.00 0.00 C ATOM 771 CG GLU A 51 1.325 5.776 -4.323 1.00 0.00 C ATOM 772 CD GLU A 51 1.131 7.234 -4.689 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.042 7.778 -4.407 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.068 7.833 -5.257 1.00 0.00 O ATOM 0 H GLU A 51 -0.464 4.811 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 51 0.038 3.689 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.248 6.208 -2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.887 5.646 -2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.358 5.490 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.696 5.158 -4.963 1.00 0.00 H new ATOM 781 N VAL A 52 1.705 1.998 -2.855 1.00 0.00 N ATOM 782 CA VAL A 52 2.756 1.034 -2.554 1.00 0.00 C ATOM 783 C VAL A 52 3.780 0.967 -3.682 1.00 0.00 C ATOM 784 O VAL A 52 3.432 1.089 -4.856 1.00 0.00 O ATOM 785 CB VAL A 52 2.177 -0.374 -2.318 1.00 0.00 C ATOM 786 CG1 VAL A 52 3.257 -1.320 -1.818 1.00 0.00 C ATOM 787 CG2 VAL A 52 1.014 -0.315 -1.338 1.00 0.00 C ATOM 0 H VAL A 52 1.060 1.704 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 52 3.245 1.375 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 52 1.804 -0.757 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.828 -2.309 -1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.054 -1.386 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.664 -0.944 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.617 -1.318 -1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.360 0.089 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.231 0.327 -1.741 1.00 0.00 H new ATOM 797 N LYS A 53 5.043 0.772 -3.317 1.00 0.00 N ATOM 798 CA LYS A 53 6.117 0.689 -4.301 1.00 0.00 C ATOM 799 C LYS A 53 7.117 -0.398 -3.921 1.00 0.00 C ATOM 800 O LYS A 53 7.354 -0.655 -2.741 1.00 0.00 O ATOM 801 CB LYS A 53 6.832 2.036 -4.421 1.00 0.00 C ATOM 802 CG LYS A 53 7.845 2.087 -5.554 1.00 0.00 C ATOM 803 CD LYS A 53 7.636 3.306 -6.438 1.00 0.00 C ATOM 804 CE LYS A 53 8.469 4.487 -5.966 1.00 0.00 C ATOM 805 NZ LYS A 53 8.214 5.708 -6.780 1.00 0.00 N ATOM 0 H LYS A 53 5.348 0.669 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 53 5.676 0.433 -5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.090 2.820 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.339 2.254 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.853 2.105 -5.141 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.764 1.182 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.901 3.061 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.581 3.580 -6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.244 4.695 -4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.527 4.230 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.801 6.490 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.453 5.518 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.210 5.969 -6.709 1.00 0.00 H new ATOM 819 N ALA A 54 7.702 -1.035 -4.931 1.00 0.00 N ATOM 820 CA ALA A 54 8.677 -2.094 -4.704 1.00 0.00 C ATOM 821 C ALA A 54 9.602 -2.256 -5.907 1.00 0.00 C ATOM 822 O ALA A 54 9.223 -2.844 -6.919 1.00 0.00 O ATOM 823 CB ALA A 54 7.969 -3.406 -4.401 1.00 0.00 C ATOM 0 H ALA A 54 7.517 -0.836 -5.914 1.00 0.00 H new ATOM 0 HA ALA A 54 9.287 -1.815 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.709 -4.189 -4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.355 -3.290 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.335 -3.681 -5.244 1.00 0.00 H new ATOM 974 N PHE A 64 2.297 1.691 -7.308 1.00 0.00 N ATOM 975 CA PHE A 64 1.173 0.761 -7.321 1.00 0.00 C ATOM 976 C PHE A 64 0.035 1.271 -6.443 1.00 0.00 C ATOM 977 O PHE A 64 0.187 1.405 -5.228 1.00 0.00 O ATOM 978 CB PHE A 64 1.622 -0.621 -6.842 1.00 0.00 C ATOM 979 CG PHE A 64 0.783 -1.744 -7.380 1.00 0.00 C ATOM 980 CD1 PHE A 64 0.986 -2.224 -8.664 1.00 0.00 C ATOM 981 CD2 PHE A 64 -0.208 -2.320 -6.603 1.00 0.00 C ATOM 982 CE1 PHE A 64 0.216 -3.257 -9.162 1.00 0.00 C ATOM 983 CE2 PHE A 64 -0.982 -3.354 -7.096 1.00 0.00 C ATOM 984 CZ PHE A 64 -0.769 -3.823 -8.377 1.00 0.00 C ATOM 0 HA PHE A 64 0.810 0.683 -8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.659 -0.780 -7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.593 -0.646 -5.753 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.755 -1.785 -9.282 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.378 -1.957 -5.600 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.384 -3.622 -10.165 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.752 -3.794 -6.480 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.372 -4.631 -8.764 1.00 0.00 H new ATOM 994 N MET A 65 -1.104 1.555 -7.065 1.00 0.00 N ATOM 995 CA MET A 65 -2.268 2.051 -6.340 1.00 0.00 C ATOM 996 C MET A 65 -3.062 0.898 -5.732 1.00 0.00 C ATOM 997 O MET A 65 -3.741 0.157 -6.443 1.00 0.00 O ATOM 998 CB MET A 65 -3.166 2.868 -7.271 1.00 0.00 C ATOM 999 CG MET A 65 -2.729 4.317 -7.419 1.00 0.00 C ATOM 1000 SD MET A 65 -3.910 5.480 -6.708 1.00 0.00 S ATOM 1001 CE MET A 65 -2.803 6.665 -5.947 1.00 0.00 C ATOM 0 H MET A 65 -1.246 1.450 -8.070 1.00 0.00 H new ATOM 0 HA MET A 65 -1.915 2.692 -5.532 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.179 2.399 -8.255 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.188 2.842 -6.892 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.760 4.450 -6.938 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.594 4.545 -8.476 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.298 7.634 -5.879 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.535 6.323 -4.947 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.901 6.760 -6.551 1.00 0.00 H new ATOM 1011 N LEU A 66 -2.970 0.754 -4.414 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.679 -0.309 -3.711 1.00 0.00 C ATOM 1013 C LEU A 66 -4.942 0.229 -3.045 1.00 0.00 C ATOM 1014 O LEU A 66 -4.870 1.034 -2.116 1.00 0.00 O ATOM 1015 CB LEU A 66 -2.769 -0.952 -2.663 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.151 -2.378 -2.263 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -3.018 -3.320 -3.449 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.288 -2.853 -1.103 1.00 0.00 C ATOM 0 H LEU A 66 -2.412 1.359 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.968 -1.064 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.748 -0.959 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.771 -0.327 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.192 -2.379 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.294 -4.330 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.678 -2.990 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.987 -3.317 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.572 -3.869 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.239 -2.837 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.434 -2.194 -0.247 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.096 -0.221 -3.525 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.374 0.215 -2.974 1.00 0.00 C ATOM 1032 C HIS A 67 -7.758 -0.622 -1.758 1.00 0.00 C ATOM 1033 O HIS A 67 -7.148 -1.656 -1.487 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.469 0.121 -4.039 1.00 0.00 C ATOM 1035 CG HIS A 67 -9.437 1.263 -4.003 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -9.069 2.554 -3.689 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -10.770 1.303 -4.245 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -10.130 3.338 -3.737 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -11.175 2.603 -4.073 1.00 0.00 N ATOM 0 H HIS A 67 -6.173 -0.887 -4.294 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.270 1.253 -2.658 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.004 0.080 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.016 -0.813 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.396 0.468 -4.522 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.142 4.399 -3.536 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -12.129 2.946 -4.186 1.00 0.00 H new ATOM 1048 N TYR A 68 -8.771 -0.167 -1.029 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.236 -0.873 0.159 1.00 0.00 C ATOM 1050 C TYR A 68 -10.400 -1.799 -0.179 1.00 0.00 C ATOM 1051 O TYR A 68 -10.569 -2.850 0.439 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.660 0.125 1.239 1.00 0.00 C ATOM 1053 CG TYR A 68 -9.701 -0.468 2.629 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -8.529 -0.756 3.317 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -10.912 -0.740 3.253 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -8.563 -1.297 4.588 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -10.954 -1.282 4.523 1.00 0.00 C ATOM 1058 CZ TYR A 68 -9.777 -1.559 5.187 1.00 0.00 C ATOM 1059 OH TYR A 68 -9.816 -2.098 6.452 1.00 0.00 O ATOM 0 H TYR A 68 -9.286 0.688 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.412 -1.478 0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.970 0.969 1.233 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.646 0.518 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.576 -0.554 2.851 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -11.836 -0.524 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.643 -1.514 5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.904 -1.488 4.994 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.749 -2.219 6.727 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.200 -1.401 -1.162 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.348 -2.195 -1.583 1.00 0.00 C ATOM 1071 C GLN A 69 -11.906 -3.563 -2.093 1.00 0.00 C ATOM 1072 O GLN A 69 -12.526 -4.581 -1.788 1.00 0.00 O ATOM 1073 CB GLN A 69 -13.135 -1.457 -2.669 1.00 0.00 C ATOM 1074 CG GLN A 69 -14.541 -1.067 -2.241 1.00 0.00 C ATOM 1075 CD GLN A 69 -15.345 -2.248 -1.735 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -16.009 -2.164 -0.702 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -15.289 -3.358 -2.462 1.00 0.00 N ATOM 0 H GLN A 69 -11.074 -0.533 -1.682 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.994 -2.344 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.589 -0.558 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.196 -2.089 -3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.482 -0.310 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.061 -0.613 -3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -14.726 -3.383 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.809 -4.185 -2.171 1.00 0.00 H new ATOM 1086 N ASP A 70 -10.829 -3.579 -2.872 1.00 0.00 N ATOM 1087 CA ASP A 70 -10.303 -4.821 -3.426 1.00 0.00 C ATOM 1088 C ASP A 70 -9.901 -5.784 -2.315 1.00 0.00 C ATOM 1089 O ASP A 70 -10.077 -6.997 -2.436 1.00 0.00 O ATOM 1090 CB ASP A 70 -9.102 -4.534 -4.327 1.00 0.00 C ATOM 1091 CG ASP A 70 -9.462 -3.657 -5.510 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -10.396 -4.021 -6.256 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -8.811 -2.606 -5.691 1.00 0.00 O ATOM 0 H ASP A 70 -10.303 -2.745 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.090 -5.287 -4.019 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.321 -4.048 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -8.690 -5.476 -4.689 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.360 -5.237 -1.231 1.00 0.00 N ATOM 1099 CA LEU A 71 -8.933 -6.048 -0.097 1.00 0.00 C ATOM 1100 C LEU A 71 -10.126 -6.732 0.564 1.00 0.00 C ATOM 1101 O LEU A 71 -10.071 -7.916 0.893 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.195 -5.183 0.927 1.00 0.00 C ATOM 1103 CG LEU A 71 -6.907 -4.533 0.416 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.368 -3.543 1.437 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -5.865 -5.595 0.099 1.00 0.00 C ATOM 0 H LEU A 71 -9.207 -4.235 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.256 -6.817 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.869 -4.398 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.955 -5.798 1.794 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.135 -3.990 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.452 -3.091 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.110 -2.765 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.155 -4.063 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.955 -5.116 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.641 -6.165 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.251 -6.266 -0.668 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.203 -5.977 0.754 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.409 -6.510 1.375 1.00 0.00 C ATOM 1119 C LEU A 72 -13.100 -7.510 0.454 1.00 0.00 C ATOM 1120 O LEU A 72 -13.730 -8.461 0.916 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.372 -5.373 1.725 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.750 -4.219 2.515 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.385 -2.896 2.116 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -12.904 -4.456 4.010 1.00 0.00 C ATOM 0 H LEU A 72 -11.265 -4.995 0.487 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.118 -7.027 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.793 -4.976 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.201 -5.783 2.302 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.687 -4.173 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.930 -2.087 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.226 -2.722 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.455 -2.929 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.457 -3.627 4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.963 -4.527 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.403 -5.384 4.285 1.00 0.00 H new ATOM 1136 N GLN A 73 -12.976 -7.289 -0.850 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.588 -8.172 -1.836 1.00 0.00 C ATOM 1138 C GLN A 73 -13.027 -9.586 -1.724 1.00 0.00 C ATOM 1139 O GLN A 73 -13.725 -10.564 -1.997 1.00 0.00 O ATOM 1140 CB GLN A 73 -13.358 -7.629 -3.249 1.00 0.00 C ATOM 1141 CG GLN A 73 -14.549 -7.821 -4.175 1.00 0.00 C ATOM 1142 CD GLN A 73 -14.414 -9.051 -5.051 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -13.494 -9.850 -4.880 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -15.333 -9.207 -5.996 1.00 0.00 N ATOM 0 H GLN A 73 -12.457 -6.506 -1.249 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.659 -8.210 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.124 -6.566 -3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.488 -8.123 -3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -15.458 -7.902 -3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.659 -6.940 -4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.078 -8.519 -6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.294 -10.015 -6.617 1.00 0.00 H new ATOM 1153 N LEU A 74 -11.766 -9.686 -1.321 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.112 -10.982 -1.173 1.00 0.00 C ATOM 1155 C LEU A 74 -11.622 -11.711 0.065 1.00 0.00 C ATOM 1156 O LEU A 74 -11.700 -12.939 0.087 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.594 -10.804 -1.086 1.00 0.00 C ATOM 1158 CG LEU A 74 -8.952 -10.123 -2.295 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.442 -10.062 -2.132 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.322 -10.855 -3.576 1.00 0.00 C ATOM 0 H LEU A 74 -11.176 -8.887 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.351 -11.583 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.362 -10.221 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.136 -11.784 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.332 -9.103 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.002 -9.574 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.196 -9.495 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.045 -11.073 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.857 -10.357 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.970 -11.885 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.405 -10.848 -3.699 1.00 0.00 H new ATOM 1172 N GLN A 75 -11.969 -10.946 1.096 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.472 -11.520 2.339 1.00 0.00 C ATOM 1174 C GLN A 75 -13.871 -12.098 2.142 1.00 0.00 C ATOM 1175 O GLN A 75 -14.196 -13.157 2.679 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.491 -10.460 3.443 1.00 0.00 C ATOM 1177 CG GLN A 75 -11.368 -10.619 4.456 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.389 -9.540 5.521 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -12.449 -9.032 5.885 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -10.214 -9.185 6.027 1.00 0.00 N ATOM 0 H GLN A 75 -11.911 -9.928 1.095 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.804 -12.329 2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.422 -9.472 2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.448 -10.506 3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.448 -11.596 4.932 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.409 -10.595 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.360 -9.633 5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.166 -8.464 6.747 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.694 -11.393 1.372 1.00 0.00 N ATOM 1190 CA TYR A 76 -16.058 -11.836 1.107 1.00 0.00 C ATOM 1191 C TYR A 76 -16.066 -13.045 0.177 1.00 0.00 C ATOM 1192 O TYR A 76 -16.864 -13.966 0.347 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.875 -10.698 0.491 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.367 -10.944 0.512 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -19.028 -11.222 1.702 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -19.114 -10.898 -0.659 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.392 -11.447 1.725 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.478 -11.121 -0.644 1.00 0.00 C ATOM 1199 CZ TYR A 76 -21.111 -11.395 0.550 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.469 -11.619 0.568 1.00 0.00 O ATOM 0 H TYR A 76 -14.440 -10.514 0.921 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.510 -12.127 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.660 -9.775 1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.554 -10.548 -0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.467 -11.263 2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.621 -10.685 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -20.891 -11.662 2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -21.045 -11.081 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.825 -11.545 -0.342 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.172 -13.034 -0.807 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.076 -14.130 -1.764 1.00 0.00 C ATOM 1212 C GLU A 77 -14.440 -15.359 -1.123 1.00 0.00 C ATOM 1213 O GLU A 77 -14.833 -16.491 -1.403 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.263 -13.698 -2.985 1.00 0.00 C ATOM 1215 CG GLU A 77 -14.861 -12.514 -3.727 1.00 0.00 C ATOM 1216 CD GLU A 77 -15.605 -12.928 -4.983 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -16.350 -13.928 -4.928 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -15.441 -12.251 -6.020 1.00 0.00 O ATOM 0 H GLU A 77 -14.504 -12.279 -0.962 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.085 -14.391 -2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.252 -13.443 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.178 -14.541 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.543 -11.981 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.066 -11.817 -3.993 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.454 -15.126 -0.262 1.00 0.00 N ATOM 1226 CA GLY A 78 -12.779 -16.224 0.406 1.00 0.00 C ATOM 1227 C GLY A 78 -11.347 -16.395 -0.060 1.00 0.00 C ATOM 1228 O GLY A 78 -10.803 -17.499 -0.027 1.00 0.00 O ATOM 0 H GLY A 78 -13.111 -14.198 -0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.789 -16.052 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.329 -17.148 0.226 1.00 0.00 H new ATOM 1232 N VAL A 79 -10.734 -15.299 -0.497 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.356 -15.332 -0.972 1.00 0.00 C ATOM 1234 C VAL A 79 -8.405 -14.734 0.058 1.00 0.00 C ATOM 1235 O VAL A 79 -8.238 -13.516 0.130 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.202 -14.570 -2.301 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.811 -14.782 -2.881 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.273 -14.999 -3.292 1.00 0.00 C ATOM 0 H VAL A 79 -11.170 -14.378 -0.532 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.101 -16.380 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.330 -13.506 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.721 -14.236 -3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.064 -14.418 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.651 -15.845 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.147 -14.449 -4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.182 -16.068 -3.486 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.258 -14.788 -2.877 1.00 0.00 H new ATOM 1248 N ALA A 80 -7.783 -15.598 0.854 1.00 0.00 N ATOM 1249 CA ALA A 80 -6.848 -15.155 1.880 1.00 0.00 C ATOM 1250 C ALA A 80 -5.518 -14.731 1.267 1.00 0.00 C ATOM 1251 O ALA A 80 -4.826 -13.863 1.799 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.630 -16.258 2.906 1.00 0.00 C ATOM 0 H ALA A 80 -7.910 -16.609 0.808 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.280 -14.288 2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.929 -15.914 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.580 -16.511 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.224 -17.140 2.411 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.166 -15.348 0.144 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.918 -15.035 -0.541 1.00 0.00 C ATOM 1260 C VAL A 81 -4.130 -13.966 -1.608 1.00 0.00 C ATOM 1261 O VAL A 81 -5.112 -14.001 -2.350 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.308 -16.286 -1.201 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.914 -15.986 -1.729 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.276 -17.446 -0.217 1.00 0.00 C ATOM 0 H VAL A 81 -5.728 -16.068 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.229 -14.660 0.216 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.936 -16.572 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.500 -16.882 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.969 -15.188 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.272 -15.673 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.842 -18.321 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.672 -17.173 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.291 -17.676 0.107 1.00 0.00 H new ATOM 1274 N MET A 82 -3.201 -13.018 -1.681 1.00 0.00 N ATOM 1275 CA MET A 82 -3.284 -11.938 -2.658 1.00 0.00 C ATOM 1276 C MET A 82 -2.071 -11.950 -3.584 1.00 0.00 C ATOM 1277 O MET A 82 -0.929 -11.952 -3.126 1.00 0.00 O ATOM 1278 CB MET A 82 -3.386 -10.587 -1.949 1.00 0.00 C ATOM 1279 CG MET A 82 -3.968 -9.485 -2.820 1.00 0.00 C ATOM 1280 SD MET A 82 -4.636 -8.116 -1.856 1.00 0.00 S ATOM 1281 CE MET A 82 -3.896 -6.717 -2.694 1.00 0.00 C ATOM 0 H MET A 82 -2.382 -12.976 -1.075 1.00 0.00 H new ATOM 0 HA MET A 82 -4.180 -12.092 -3.259 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.004 -10.699 -1.058 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.394 -10.287 -1.613 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.194 -9.109 -3.489 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.756 -9.901 -3.447 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.588 -5.875 -2.676 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.971 -6.438 -2.189 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.678 -6.986 -3.728 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.329 -11.956 -4.887 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.259 -11.969 -5.877 1.00 0.00 C ATOM 1293 C LYS A 83 -0.784 -10.552 -6.184 1.00 0.00 C ATOM 1294 O LYS A 83 -1.472 -9.788 -6.860 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.733 -12.649 -7.163 1.00 0.00 C ATOM 1296 CG LYS A 83 -0.644 -12.785 -8.216 1.00 0.00 C ATOM 1297 CD LYS A 83 0.293 -13.939 -7.902 1.00 0.00 C ATOM 1298 CE LYS A 83 -0.268 -15.262 -8.399 1.00 0.00 C ATOM 1299 NZ LYS A 83 0.801 -16.158 -8.920 1.00 0.00 N ATOM 0 H LYS A 83 -3.269 -11.952 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.423 -12.532 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.118 -13.639 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.562 -12.079 -7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.099 -12.941 -9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.074 -11.858 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.263 -13.757 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.457 -13.993 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.796 -15.761 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.999 -15.074 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.381 -16.866 -9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.502 -15.595 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.268 -16.640 -8.125 1.00 0.00 H new ATOM 1313 N LEU A 84 0.397 -10.208 -5.681 1.00 0.00 N ATOM 1314 CA LEU A 84 0.964 -8.883 -5.902 1.00 0.00 C ATOM 1315 C LEU A 84 2.141 -8.950 -6.871 1.00 0.00 C ATOM 1316 O LEU A 84 2.994 -9.833 -6.768 1.00 0.00 O ATOM 1317 CB LEU A 84 1.415 -8.271 -4.574 1.00 0.00 C ATOM 1318 CG LEU A 84 0.360 -7.424 -3.860 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.817 -7.079 -2.451 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.068 -6.158 -4.653 1.00 0.00 C ATOM 0 H LEU A 84 0.979 -10.828 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 84 0.191 -8.252 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.725 -9.076 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.293 -7.652 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.559 -8.005 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.054 -6.476 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.976 -7.997 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.749 -6.516 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.685 -5.567 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.982 -5.573 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.303 -6.426 -5.642 1.00 0.00 H new ATOM 1332 N PHE A 85 2.180 -8.013 -7.812 1.00 0.00 N ATOM 1333 CA PHE A 85 3.252 -7.964 -8.800 1.00 0.00 C ATOM 1334 C PHE A 85 3.294 -9.246 -9.628 1.00 0.00 C ATOM 1335 O PHE A 85 4.321 -9.578 -10.221 1.00 0.00 O ATOM 1336 CB PHE A 85 4.599 -7.746 -8.110 1.00 0.00 C ATOM 1337 CG PHE A 85 4.804 -6.340 -7.622 1.00 0.00 C ATOM 1338 CD1 PHE A 85 5.023 -5.306 -8.519 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.777 -6.053 -6.267 1.00 0.00 C ATOM 1340 CE1 PHE A 85 5.211 -4.012 -8.072 1.00 0.00 C ATOM 1341 CE2 PHE A 85 4.964 -4.761 -5.814 1.00 0.00 C ATOM 1342 CZ PHE A 85 5.181 -3.738 -6.718 1.00 0.00 C ATOM 0 H PHE A 85 1.481 -7.277 -7.912 1.00 0.00 H new ATOM 0 HA PHE A 85 3.053 -7.128 -9.471 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.680 -8.430 -7.265 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.399 -8.001 -8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.047 -5.514 -9.579 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.608 -6.848 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.381 -3.215 -8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 85 4.941 -4.551 -4.755 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.327 -2.727 -6.367 1.00 0.00 H new ATOM 1352 N ASP A 86 2.173 -9.963 -9.668 1.00 0.00 N ATOM 1353 CA ASP A 86 2.086 -11.207 -10.427 1.00 0.00 C ATOM 1354 C ASP A 86 3.196 -12.176 -10.025 1.00 0.00 C ATOM 1355 O ASP A 86 3.645 -12.989 -10.833 1.00 0.00 O ATOM 1356 CB ASP A 86 2.165 -10.919 -11.928 1.00 0.00 C ATOM 1357 CG ASP A 86 0.795 -10.753 -12.558 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -0.094 -11.581 -12.270 1.00 0.00 O ATOM 1359 OD2 ASP A 86 0.612 -9.794 -13.335 1.00 0.00 O ATOM 0 H ASP A 86 1.313 -9.704 -9.184 1.00 0.00 H new ATOM 0 HA ASP A 86 1.126 -11.672 -10.201 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.749 -10.013 -12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.694 -11.733 -12.424 1.00 0.00 H new ATOM 1364 N ARG A 87 3.633 -12.083 -8.773 1.00 0.00 N ATOM 1365 CA ARG A 87 4.689 -12.953 -8.268 1.00 0.00 C ATOM 1366 C ARG A 87 4.554 -13.156 -6.762 1.00 0.00 C ATOM 1367 O ARG A 87 4.113 -14.211 -6.306 1.00 0.00 O ATOM 1368 CB ARG A 87 6.064 -12.363 -8.593 1.00 0.00 C ATOM 1369 CG ARG A 87 6.623 -12.826 -9.929 1.00 0.00 C ATOM 1370 CD ARG A 87 7.042 -14.287 -9.883 1.00 0.00 C ATOM 1371 NE ARG A 87 6.554 -15.034 -11.041 1.00 0.00 N ATOM 1372 CZ ARG A 87 7.096 -14.959 -12.254 1.00 0.00 C ATOM 1373 NH1 ARG A 87 8.144 -14.174 -12.473 1.00 0.00 N ATOM 1374 NH2 ARG A 87 6.590 -15.671 -13.250 1.00 0.00 N ATOM 0 H ARG A 87 3.273 -11.415 -8.091 1.00 0.00 H new ATOM 0 HA ARG A 87 4.591 -13.922 -8.757 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.992 -11.275 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.763 -12.635 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.872 -12.686 -10.707 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.480 -12.209 -10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.129 -14.351 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.661 -14.745 -8.970 1.00 0.00 H new ATOM 0 HE ARG A 87 5.751 -15.649 -10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.538 -13.624 -11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.555 -14.121 -13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.785 -16.276 -13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.005 -15.614 -14.180 1.00 0.00 H new ATOM 1388 N ALA A 88 4.938 -12.141 -5.995 1.00 0.00 N ATOM 1389 CA ALA A 88 4.860 -12.209 -4.541 1.00 0.00 C ATOM 1390 C ALA A 88 3.414 -12.321 -4.071 1.00 0.00 C ATOM 1391 O ALA A 88 2.516 -11.705 -4.644 1.00 0.00 O ATOM 1392 CB ALA A 88 5.527 -10.991 -3.920 1.00 0.00 C ATOM 0 H ALA A 88 5.306 -11.261 -6.357 1.00 0.00 H new ATOM 0 HA ALA A 88 5.389 -13.105 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.462 -11.055 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.575 -10.958 -4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.023 -10.087 -4.262 1.00 0.00 H new ATOM 1398 N LYS A 89 3.197 -13.110 -3.023 1.00 0.00 N ATOM 1399 CA LYS A 89 1.860 -13.303 -2.474 1.00 0.00 C ATOM 1400 C LYS A 89 1.773 -12.753 -1.055 1.00 0.00 C ATOM 1401 O LYS A 89 2.753 -12.771 -0.310 1.00 0.00 O ATOM 1402 CB LYS A 89 1.491 -14.787 -2.483 1.00 0.00 C ATOM 1403 CG LYS A 89 1.189 -15.332 -3.869 1.00 0.00 C ATOM 1404 CD LYS A 89 1.087 -16.848 -3.863 1.00 0.00 C ATOM 1405 CE LYS A 89 2.447 -17.496 -3.653 1.00 0.00 C ATOM 1406 NZ LYS A 89 2.529 -18.835 -4.298 1.00 0.00 N ATOM 0 H LYS A 89 3.931 -13.626 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 89 1.154 -12.758 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.311 -15.359 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.621 -14.940 -1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.254 -14.905 -4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.972 -15.022 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.406 -17.165 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.662 -17.189 -4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.224 -16.849 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.641 -17.595 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.471 -19.243 -4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 1.804 -19.461 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.369 -18.738 -5.321 1.00 0.00 H new ATOM 1420 N VAL A 90 0.593 -12.263 -0.686 1.00 0.00 N ATOM 1421 CA VAL A 90 0.380 -11.707 0.646 1.00 0.00 C ATOM 1422 C VAL A 90 -0.945 -12.178 1.234 1.00 0.00 C ATOM 1423 O VAL A 90 -1.852 -12.580 0.505 1.00 0.00 O ATOM 1424 CB VAL A 90 0.398 -10.167 0.620 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.382 -9.609 2.035 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.610 -9.660 -0.148 1.00 0.00 C ATOM 0 H VAL A 90 -0.229 -12.240 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 90 1.198 -12.063 1.272 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.499 -9.820 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.395 -8.520 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.520 -9.943 2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.259 -9.964 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.606 -8.570 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.521 -10.016 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.573 -10.030 -1.172 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.051 -12.125 2.558 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.266 -12.545 3.246 1.00 0.00 C ATOM 1438 C ASN A 91 -3.216 -11.367 3.437 1.00 0.00 C ATOM 1439 O ASN A 91 -2.869 -10.377 4.081 1.00 0.00 O ATOM 1440 CB ASN A 91 -1.920 -13.163 4.602 1.00 0.00 C ATOM 1441 CG ASN A 91 -3.093 -13.904 5.215 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -4.231 -13.771 4.765 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -2.820 -14.691 6.250 1.00 0.00 N ATOM 0 H ASN A 91 -0.310 -11.795 3.176 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.764 -13.294 2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.082 -13.850 4.482 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.593 -12.378 5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.568 -15.214 6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.862 -14.772 6.591 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.412 -11.480 2.873 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.412 -10.423 2.980 1.00 0.00 C ATOM 1452 C VAL A 92 -5.942 -10.307 4.406 1.00 0.00 C ATOM 1453 O VAL A 92 -6.363 -9.232 4.836 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.595 -10.670 2.024 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.553 -9.489 2.039 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -6.095 -10.939 0.611 1.00 0.00 C ATOM 0 H VAL A 92 -4.714 -12.293 2.336 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.917 -9.492 2.703 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.135 -11.551 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.381 -9.684 1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.939 -9.347 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.026 -8.589 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.945 -11.111 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.528 -10.079 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.454 -11.820 0.614 1.00 0.00 H new ATOM 1466 N ASN A 93 -5.920 -11.417 5.136 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.400 -11.438 6.512 1.00 0.00 C ATOM 1468 C ASN A 93 -5.498 -10.608 7.423 1.00 0.00 C ATOM 1469 O ASN A 93 -5.951 -10.058 8.427 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.476 -12.877 7.026 1.00 0.00 C ATOM 1471 CG ASN A 93 -7.873 -13.458 6.915 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.811 -12.774 6.507 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.017 -14.726 7.280 1.00 0.00 N ATOM 0 H ASN A 93 -5.574 -12.315 4.797 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.398 -10.999 6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.781 -13.499 6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.155 -12.905 8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.933 -15.171 7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.211 -15.256 7.612 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.220 -10.523 7.067 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.258 -9.760 7.856 1.00 0.00 C ATOM 1482 C LEU A 94 -2.873 -8.463 7.152 1.00 0.00 C ATOM 1483 O LEU A 94 -2.533 -7.472 7.799 1.00 0.00 O ATOM 1484 CB LEU A 94 -2.007 -10.601 8.122 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.131 -11.598 9.274 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -0.948 -12.554 9.283 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -2.236 -10.864 10.603 1.00 0.00 C ATOM 0 H LEU A 94 -3.827 -10.972 6.240 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.729 -9.506 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.756 -11.148 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.174 -9.930 8.331 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.041 -12.181 9.129 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.054 -13.256 10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.917 -13.103 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.024 -11.988 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.324 -11.588 11.413 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.344 -10.256 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.116 -10.221 10.595 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.926 -8.476 5.823 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.581 -7.299 5.033 1.00 0.00 C ATOM 1501 C LEU A 95 -3.438 -6.101 5.431 1.00 0.00 C ATOM 1502 O LEU A 95 -2.947 -4.976 5.519 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.757 -7.591 3.541 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.421 -6.426 2.608 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -0.994 -5.957 2.835 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.629 -6.831 1.156 1.00 0.00 C ATOM 0 H LEU A 95 -3.204 -9.288 5.271 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.537 -7.056 5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.128 -8.441 3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.790 -7.891 3.365 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.093 -5.598 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.772 -5.128 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.879 -5.628 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.305 -6.778 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.386 -5.991 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.981 -7.674 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.669 -7.118 1.004 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.720 -6.352 5.672 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.645 -5.294 6.062 1.00 0.00 C ATOM 1520 C ILE A 96 -5.481 -4.936 7.535 1.00 0.00 C ATOM 1521 O ILE A 96 -5.710 -3.794 7.936 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.108 -5.703 5.805 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.265 -6.259 4.388 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -8.035 -4.517 6.021 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.546 -7.037 4.184 1.00 0.00 C ATOM 0 H ILE A 96 -5.142 -7.278 5.604 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.406 -4.424 5.450 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.380 -6.486 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.233 -5.434 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.417 -6.906 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.065 -4.822 5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.940 -4.163 7.048 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.765 -3.714 5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.591 -7.401 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.571 -7.883 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.400 -6.388 4.376 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.083 -5.918 8.337 1.00 0.00 N ATOM 1538 CA PHE A 97 -4.890 -5.707 9.768 1.00 0.00 C ATOM 1539 C PHE A 97 -3.788 -4.681 10.024 1.00 0.00 C ATOM 1540 O PHE A 97 -3.947 -3.779 10.846 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.542 -7.027 10.457 1.00 0.00 C ATOM 1542 CG PHE A 97 -4.923 -7.066 11.909 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -4.033 -6.647 12.884 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -6.173 -7.521 12.297 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -4.382 -6.681 14.221 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -6.527 -7.558 13.633 1.00 0.00 C ATOM 1547 CZ PHE A 97 -5.631 -7.137 14.596 1.00 0.00 C ATOM 0 H PHE A 97 -4.888 -6.868 8.021 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.823 -5.323 10.182 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.044 -7.842 9.936 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.470 -7.203 10.366 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.055 -6.290 12.596 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.878 -7.850 11.548 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.679 -6.351 14.972 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -7.504 -7.916 13.923 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.906 -7.164 15.640 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.674 -4.827 9.315 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.546 -3.915 9.467 1.00 0.00 C ATOM 1559 C LEU A 98 -1.960 -2.478 9.164 1.00 0.00 C ATOM 1560 O LEU A 98 -1.624 -1.555 9.906 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.399 -4.332 8.545 1.00 0.00 C ATOM 1562 CG LEU A 98 1.002 -3.990 9.058 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.276 -4.701 10.374 1.00 0.00 C ATOM 1564 CD2 LEU A 98 2.052 -4.358 8.022 1.00 0.00 C ATOM 0 H LEU A 98 -2.528 -5.568 8.629 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.209 -3.965 10.502 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.457 -5.408 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.541 -3.855 7.575 1.00 0.00 H new ATOM 0 HG LEU A 98 1.053 -2.915 9.232 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.276 -4.446 10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.542 -4.388 11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.207 -5.779 10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.042 -4.108 8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.001 -5.427 7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.866 -3.803 7.103 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.690 -2.296 8.069 1.00 0.00 N ATOM 1577 CA LEU A 99 -3.150 -0.971 7.668 1.00 0.00 C ATOM 1578 C LEU A 99 -4.239 -0.463 8.607 1.00 0.00 C ATOM 1579 O LEU A 99 -4.374 0.741 8.821 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.677 -1.006 6.231 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.758 -1.694 5.221 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.545 -2.126 3.993 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.615 -0.770 4.826 1.00 0.00 C ATOM 0 H LEU A 99 -2.976 -3.049 7.443 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.302 -0.288 7.723 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.642 -1.514 6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.854 0.017 5.900 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.335 -2.583 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.875 -2.614 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.329 -2.823 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.995 -1.252 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.971 -1.275 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.019 0.137 4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.036 -0.509 5.712 1.00 0.00 H new ATOM 1595 N ASN A 100 -5.014 -1.390 9.163 1.00 0.00 N ATOM 1596 CA ASN A 100 -6.094 -1.036 10.078 1.00 0.00 C ATOM 1597 C ASN A 100 -5.554 -0.348 11.331 1.00 0.00 C ATOM 1598 O ASN A 100 -6.269 0.407 11.990 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.887 -2.286 10.469 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.366 -2.151 10.166 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.835 -2.889 9.167 1.00 0.00 O flip ATOM 1602 ND2 ASN A 100 -9.080 -1.393 10.822 1.00 0.00 N flip ATOM 0 H ASN A 100 -4.914 -2.391 8.996 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.754 -0.338 9.564 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.487 -3.148 9.935 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.753 -2.480 11.533 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -8.678 -0.844 11.582 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.074 -1.314 10.606 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.293 -0.614 11.656 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.667 -0.020 12.833 1.00 0.00 C ATOM 1611 C LYS A 101 -2.591 0.990 12.439 1.00 0.00 C ATOM 1612 O LYS A 101 -2.220 1.853 13.235 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.058 -1.111 13.715 1.00 0.00 C ATOM 1614 CG LYS A 101 -4.024 -1.667 14.748 1.00 0.00 C ATOM 1615 CD LYS A 101 -3.801 -3.155 14.975 1.00 0.00 C ATOM 1616 CE LYS A 101 -3.954 -3.523 16.442 1.00 0.00 C ATOM 1617 NZ LYS A 101 -2.982 -4.573 16.857 1.00 0.00 N ATOM 0 H LYS A 101 -3.685 -1.236 11.122 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.440 0.507 13.393 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.708 -1.926 13.081 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.184 -0.707 14.227 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.900 -1.132 15.689 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.049 -1.498 14.418 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.513 -3.726 14.379 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.804 -3.431 14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.811 -2.634 17.056 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -4.969 -3.876 16.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.463 -5.275 17.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.597 -5.042 16.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.206 -4.135 17.394 1.00 0.00 H new ATOM 1631 N LYS A 102 -2.088 0.876 11.214 1.00 0.00 N ATOM 1632 CA LYS A 102 -1.051 1.780 10.729 1.00 0.00 C ATOM 1633 C LYS A 102 -1.656 2.999 10.037 1.00 0.00 C ATOM 1634 O LYS A 102 -1.713 4.085 10.612 1.00 0.00 O ATOM 1635 CB LYS A 102 -0.116 1.044 9.766 1.00 0.00 C ATOM 1636 CG LYS A 102 0.813 0.057 10.456 1.00 0.00 C ATOM 1637 CD LYS A 102 1.864 0.771 11.290 1.00 0.00 C ATOM 1638 CE LYS A 102 3.133 -0.057 11.413 1.00 0.00 C ATOM 1639 NZ LYS A 102 4.273 0.749 11.933 1.00 0.00 N ATOM 0 H LYS A 102 -2.381 0.168 10.540 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.481 2.127 11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.715 0.511 9.027 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.483 1.776 9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.230 -0.608 11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.303 -0.567 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.099 1.734 10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.464 0.976 12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.952 -0.902 12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.394 -0.469 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.160 0.223 11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.323 1.652 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.133 0.935 12.946 1.00 0.00 H new ATOM 1653 N PHE A 103 -2.101 2.812 8.798 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.693 3.899 8.025 1.00 0.00 C ATOM 1655 C PHE A 103 -4.028 4.338 8.620 1.00 0.00 C ATOM 1656 O PHE A 103 -4.330 5.530 8.675 1.00 0.00 O ATOM 1657 CB PHE A 103 -2.886 3.469 6.570 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.595 3.199 5.850 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -0.948 1.983 5.995 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -1.030 4.161 5.030 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.240 1.731 5.334 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.158 3.916 4.367 1.00 0.00 C ATOM 1663 CZ PHE A 103 0.794 2.700 4.519 1.00 0.00 C ATOM 0 H PHE A 103 -2.063 1.918 8.308 1.00 0.00 H new ATOM 0 HA PHE A 103 -2.009 4.747 8.061 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.503 2.571 6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -3.434 4.247 6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.376 1.223 6.632 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.523 5.114 4.907 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.734 0.778 5.454 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.588 4.675 3.731 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.722 2.506 4.002 1.00 0.00 H new ATOM 1673 N TYR A 104 -4.826 3.371 9.060 1.00 0.00 N ATOM 1674 CA TYR A 104 -6.131 3.663 9.646 1.00 0.00 C ATOM 1675 C TYR A 104 -6.000 4.631 10.818 1.00 0.00 C ATOM 1676 O TYR A 104 -5.403 4.304 11.844 1.00 0.00 O ATOM 1677 CB TYR A 104 -6.809 2.371 10.105 1.00 0.00 C ATOM 1678 CG TYR A 104 -8.161 2.137 9.470 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -8.304 2.104 8.089 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -9.294 1.949 10.252 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -9.537 1.892 7.504 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -10.531 1.735 9.674 1.00 0.00 C ATOM 1683 CZ TYR A 104 -10.647 1.707 8.300 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.877 1.494 7.722 1.00 0.00 O ATOM 0 H TYR A 104 -4.593 2.379 9.022 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.747 4.134 8.880 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.158 1.528 9.875 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.926 2.397 11.188 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.436 2.247 7.462 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.207 1.970 11.328 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.631 1.871 6.428 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -11.403 1.590 10.295 1.00 0.00 H new ATOM 0 HH TYR A 104 -12.553 1.381 8.423 1.00 0.00 H new