USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 18 LYS NZ :NH3+ -154:sc= 0.0177 (180deg=0) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0.0219 USER MOD Single : A 10 MET CE :methyl 176:sc= -0.184 (180deg=-0.218) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -128:sc= -0.868 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0545) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -0.782 F(o=-2.6,f=-0.78) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.19! C(o=-1.2!,f=-1.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -7.62! C(o=-7.6!,f=-9.8!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.8! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -160:sc= -1.14 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.697 K(o=-0.7,f=-2.8!) USER MOD Single : A 75 HIS : no HD1:sc= -1.65 X(o=-1.7,f=-1.5) USER MOD Single : A 76 LYS NZ :NH3+ 145:sc= -0.316 (180deg=-1.52) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.043) USER MOD Single : A 90 SER OG : rot 80:sc= 1.28 USER MOD Single : A 91 THR OG1 : rot -69:sc= -7.72! USER MOD Single : A 92 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.17) USER MOD Single : A 99 GLN : amide:sc= -0.398 K(o=-0.4,f=-1.3!) USER MOD Single : A 102 THR OG1 : rot -15:sc= -0.183 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.099 0.023 5.287 1.00 0.00 N ATOM 92 CA MET A 10 -5.984 0.667 5.961 1.00 0.00 C ATOM 93 C MET A 10 -6.138 2.189 5.944 1.00 0.00 C ATOM 94 O MET A 10 -6.756 2.744 5.037 1.00 0.00 O ATOM 95 CB MET A 10 -4.676 0.278 5.270 1.00 0.00 C ATOM 96 CG MET A 10 -3.793 -0.559 6.199 1.00 0.00 C ATOM 97 SD MET A 10 -3.227 0.438 7.566 1.00 0.00 S ATOM 98 CE MET A 10 -2.014 -0.665 8.273 1.00 0.00 C ATOM 0 HA MET A 10 -5.970 0.334 6.999 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.893 -0.286 4.363 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.140 1.177 4.965 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.353 -1.417 6.571 1.00 0.00 H new ATOM 0 HG3 MET A 10 -2.939 -0.951 5.647 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.509 -0.168 9.101 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.509 -1.565 8.638 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.282 -0.937 7.512 1.00 0.00 H new ATOM 108 N SER A 11 -5.566 2.821 6.958 1.00 0.00 N ATOM 109 CA SER A 11 -5.631 4.268 7.071 1.00 0.00 C ATOM 110 C SER A 11 -4.666 4.753 8.154 1.00 0.00 C ATOM 111 O SER A 11 -4.500 4.097 9.182 1.00 0.00 O ATOM 112 CB SER A 11 -7.056 4.732 7.384 1.00 0.00 C ATOM 113 OG SER A 11 -7.470 4.341 8.690 1.00 0.00 O ATOM 0 H SER A 11 -5.055 2.357 7.709 1.00 0.00 H new ATOM 0 HA SER A 11 -5.338 4.699 6.114 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.112 5.817 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.743 4.317 6.646 1.00 0.00 H new ATOM 0 HG SER A 11 -8.383 4.657 8.852 1.00 0.00 H new ATOM 119 N GLY A 12 -4.054 5.897 7.888 1.00 0.00 N ATOM 120 CA GLY A 12 -3.109 6.477 8.827 1.00 0.00 C ATOM 121 C GLY A 12 -2.125 7.406 8.112 1.00 0.00 C ATOM 122 O GLY A 12 -1.965 7.328 6.895 1.00 0.00 O ATOM 0 H GLY A 12 -4.194 6.438 7.035 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.648 7.033 9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.562 5.683 9.335 1.00 0.00 H new ATOM 126 N TYR A 13 -1.491 8.263 8.899 1.00 0.00 N ATOM 127 CA TYR A 13 -0.527 9.205 8.356 1.00 0.00 C ATOM 128 C TYR A 13 0.789 8.505 8.010 1.00 0.00 C ATOM 129 O TYR A 13 1.346 7.782 8.834 1.00 0.00 O ATOM 130 CB TYR A 13 -0.270 10.230 9.463 1.00 0.00 C ATOM 131 CG TYR A 13 -1.429 11.203 9.690 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.700 12.183 8.757 1.00 0.00 C ATOM 133 CD2 TYR A 13 -2.202 11.101 10.829 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.790 13.099 8.971 1.00 0.00 C ATOM 135 CE2 TYR A 13 -3.292 12.018 11.043 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.532 12.971 10.104 1.00 0.00 C ATOM 137 OH TYR A 13 -4.562 13.837 10.306 1.00 0.00 O ATOM 0 H TYR A 13 -1.626 8.325 9.908 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.909 9.662 7.443 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.065 9.701 10.394 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.626 10.799 9.216 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.094 12.263 7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.990 10.334 11.559 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.013 13.870 8.249 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.905 11.950 11.930 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.004 13.627 11.155 1.00 0.00 H new ATOM 147 N LEU A 14 1.247 8.745 6.790 1.00 0.00 N ATOM 148 CA LEU A 14 2.486 8.146 6.325 1.00 0.00 C ATOM 149 C LEU A 14 3.327 9.211 5.618 1.00 0.00 C ATOM 150 O LEU A 14 2.787 10.094 4.954 1.00 0.00 O ATOM 151 CB LEU A 14 2.197 6.917 5.462 1.00 0.00 C ATOM 152 CG LEU A 14 1.280 5.862 6.083 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.461 5.146 5.007 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.077 4.880 6.944 1.00 0.00 C ATOM 0 H LEU A 14 0.782 9.346 6.110 1.00 0.00 H new ATOM 0 HA LEU A 14 3.074 7.782 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.751 7.252 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.146 6.443 5.211 1.00 0.00 H new ATOM 0 HG LEU A 14 0.575 6.368 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.183 4.401 5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.153 5.872 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.134 4.654 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.401 4.141 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.821 4.376 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.578 5.423 7.746 1.00 0.00 H new ATOM 166 N TYR A 15 4.636 9.092 5.785 1.00 0.00 N ATOM 167 CA TYR A 15 5.557 10.033 5.171 1.00 0.00 C ATOM 168 C TYR A 15 5.842 9.652 3.716 1.00 0.00 C ATOM 169 O TYR A 15 6.402 8.590 3.447 1.00 0.00 O ATOM 170 CB TYR A 15 6.856 9.937 5.974 1.00 0.00 C ATOM 171 CG TYR A 15 6.859 10.773 7.255 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.601 12.128 7.195 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.119 10.173 8.470 1.00 0.00 C ATOM 174 CE1 TYR A 15 6.604 12.915 8.401 1.00 0.00 C ATOM 175 CE2 TYR A 15 7.121 10.960 9.676 1.00 0.00 C ATOM 176 CZ TYR A 15 6.864 12.292 9.582 1.00 0.00 C ATOM 177 OH TYR A 15 6.866 13.036 10.721 1.00 0.00 O ATOM 0 H TYR A 15 5.081 8.358 6.337 1.00 0.00 H new ATOM 0 HA TYR A 15 5.136 11.039 5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.035 8.893 6.233 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.686 10.255 5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.397 12.598 6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.321 9.113 8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.404 13.976 8.369 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.322 10.503 10.633 1.00 0.00 H new ATOM 0 HH TYR A 15 7.065 12.459 11.488 1.00 0.00 H new ATOM 187 N ARG A 16 5.443 10.539 2.817 1.00 0.00 N ATOM 188 CA ARG A 16 5.648 10.309 1.397 1.00 0.00 C ATOM 189 C ARG A 16 6.837 11.129 0.892 1.00 0.00 C ATOM 190 O ARG A 16 6.867 12.349 1.051 1.00 0.00 O ATOM 191 CB ARG A 16 4.401 10.684 0.593 1.00 0.00 C ATOM 192 CG ARG A 16 4.683 10.635 -0.910 1.00 0.00 C ATOM 193 CD ARG A 16 3.457 10.144 -1.682 1.00 0.00 C ATOM 194 NE ARG A 16 3.193 11.036 -2.834 1.00 0.00 N ATOM 195 CZ ARG A 16 2.693 12.274 -2.725 1.00 0.00 C ATOM 196 NH1 ARG A 16 2.401 12.776 -1.517 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.487 13.012 -3.825 1.00 0.00 N ATOM 0 H ARG A 16 4.979 11.418 3.044 1.00 0.00 H new ATOM 0 HA ARG A 16 5.850 9.247 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.588 10.000 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.071 11.685 0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.966 11.627 -1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.528 9.974 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.621 9.125 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.588 10.120 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 16 3.405 10.686 -3.768 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.559 12.215 -0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.020 13.719 -1.435 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.711 12.631 -4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.106 13.955 -3.743 1.00 0.00 H new ATOM 211 N SER A 17 7.788 10.427 0.295 1.00 0.00 N ATOM 212 CA SER A 17 8.977 11.075 -0.234 1.00 0.00 C ATOM 213 C SER A 17 9.077 10.834 -1.741 1.00 0.00 C ATOM 214 O SER A 17 8.232 10.155 -2.323 1.00 0.00 O ATOM 215 CB SER A 17 10.238 10.570 0.470 1.00 0.00 C ATOM 216 OG SER A 17 11.420 11.156 -0.068 1.00 0.00 O ATOM 0 H SER A 17 7.760 9.416 0.165 1.00 0.00 H new ATOM 0 HA SER A 17 8.895 12.146 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.174 10.795 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.296 9.486 0.376 1.00 0.00 H new ATOM 0 HG SER A 17 12.055 10.449 -0.308 1.00 0.00 H new ATOM 222 N LYS A 18 10.119 11.403 -2.331 1.00 0.00 N ATOM 223 CA LYS A 18 10.341 11.258 -3.760 1.00 0.00 C ATOM 224 C LYS A 18 11.692 10.581 -3.995 1.00 0.00 C ATOM 225 O LYS A 18 12.317 10.780 -5.036 1.00 0.00 O ATOM 226 CB LYS A 18 10.198 12.609 -4.463 1.00 0.00 C ATOM 227 CG LYS A 18 8.740 12.882 -4.837 1.00 0.00 C ATOM 228 CD LYS A 18 8.600 13.161 -6.335 1.00 0.00 C ATOM 229 CE LYS A 18 7.759 14.414 -6.583 1.00 0.00 C ATOM 230 NZ LYS A 18 6.907 14.237 -7.780 1.00 0.00 N ATOM 0 H LYS A 18 10.818 11.965 -1.845 1.00 0.00 H new ATOM 0 HA LYS A 18 9.581 10.613 -4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.564 13.402 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.816 12.623 -5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.124 12.025 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.369 13.735 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.587 13.288 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.137 12.305 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.136 14.619 -5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.412 15.277 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.692 15.167 -8.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.409 13.654 -8.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.020 13.766 -7.509 1.00 0.00 H new ATOM 244 N GLY A 19 12.104 9.795 -3.012 1.00 0.00 N ATOM 245 CA GLY A 19 13.370 9.088 -3.099 1.00 0.00 C ATOM 246 C GLY A 19 14.013 8.941 -1.718 1.00 0.00 C ATOM 247 O GLY A 19 13.315 8.775 -0.719 1.00 0.00 O ATOM 0 H GLY A 19 11.583 9.632 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.211 8.102 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.046 9.626 -3.763 1.00 0.00 H new ATOM 251 N SER A 20 15.336 9.009 -1.707 1.00 0.00 N ATOM 252 CA SER A 20 16.081 8.885 -0.465 1.00 0.00 C ATOM 253 C SER A 20 16.386 10.273 0.102 1.00 0.00 C ATOM 254 O SER A 20 15.859 10.650 1.148 1.00 0.00 O ATOM 255 CB SER A 20 17.377 8.101 -0.676 1.00 0.00 C ATOM 256 OG SER A 20 17.192 6.702 -0.482 1.00 0.00 O ATOM 0 H SER A 20 15.911 9.148 -2.538 1.00 0.00 H new ATOM 0 HA SER A 20 15.468 8.334 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.749 8.281 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.138 8.465 0.015 1.00 0.00 H new ATOM 0 HG SER A 20 18.042 6.236 -0.627 1.00 0.00 H new ATOM 262 N LYS A 21 17.235 10.996 -0.613 1.00 0.00 N ATOM 263 CA LYS A 21 17.617 12.334 -0.195 1.00 0.00 C ATOM 264 C LYS A 21 16.471 13.303 -0.491 1.00 0.00 C ATOM 265 O LYS A 21 16.668 14.319 -1.156 1.00 0.00 O ATOM 266 CB LYS A 21 18.946 12.738 -0.837 1.00 0.00 C ATOM 267 CG LYS A 21 20.076 11.810 -0.388 1.00 0.00 C ATOM 268 CD LYS A 21 21.315 12.612 0.017 1.00 0.00 C ATOM 269 CE LYS A 21 21.825 13.460 -1.150 1.00 0.00 C ATOM 270 NZ LYS A 21 22.621 12.631 -2.083 1.00 0.00 N ATOM 0 H LYS A 21 17.670 10.680 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 21 17.789 12.362 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.854 12.706 -1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.186 13.766 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.741 11.203 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.330 11.124 -1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.075 13.257 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 21 22.100 11.932 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.983 13.906 -1.679 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.435 14.280 -0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.960 13.221 -2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.435 12.225 -1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 22.028 11.863 -2.457 1.00 0.00 H new ATOM 284 N LYS A 22 15.298 12.955 0.017 1.00 0.00 N ATOM 285 CA LYS A 22 14.120 13.781 -0.186 1.00 0.00 C ATOM 286 C LYS A 22 13.428 14.013 1.159 1.00 0.00 C ATOM 287 O LYS A 22 13.587 13.222 2.088 1.00 0.00 O ATOM 288 CB LYS A 22 13.208 13.163 -1.247 1.00 0.00 C ATOM 289 CG LYS A 22 13.659 13.558 -2.655 1.00 0.00 C ATOM 290 CD LYS A 22 13.003 14.869 -3.093 1.00 0.00 C ATOM 291 CE LYS A 22 13.577 15.350 -4.427 1.00 0.00 C ATOM 292 NZ LYS A 22 12.965 14.608 -5.552 1.00 0.00 N ATOM 0 H LYS A 22 15.138 12.112 0.569 1.00 0.00 H new ATOM 0 HA LYS A 22 14.403 14.760 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.215 12.077 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.181 13.491 -1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.744 13.665 -2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.402 12.766 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.926 14.728 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.160 15.631 -2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.393 16.418 -4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.658 15.210 -4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.366 14.947 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.162 13.592 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.937 14.763 -5.551 1.00 0.00 H new ATOM 306 N PRO A 23 12.655 15.130 1.223 1.00 0.00 N ATOM 307 CA PRO A 23 11.939 15.477 2.439 1.00 0.00 C ATOM 308 C PRO A 23 10.715 14.578 2.629 1.00 0.00 C ATOM 309 O PRO A 23 9.982 14.311 1.678 1.00 0.00 O ATOM 310 CB PRO A 23 11.578 16.944 2.278 1.00 0.00 C ATOM 311 CG PRO A 23 11.694 17.242 0.792 1.00 0.00 C ATOM 312 CD PRO A 23 12.444 16.090 0.143 1.00 0.00 C ATOM 0 HA PRO A 23 12.537 15.324 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.568 17.139 2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.250 17.577 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.705 17.353 0.347 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.223 18.181 0.631 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.867 15.650 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.391 16.423 -0.281 1.00 0.00 H new ATOM 320 N TRP A 24 10.533 14.135 3.865 1.00 0.00 N ATOM 321 CA TRP A 24 9.411 13.272 4.192 1.00 0.00 C ATOM 322 C TRP A 24 8.188 14.158 4.436 1.00 0.00 C ATOM 323 O TRP A 24 8.312 15.264 4.960 1.00 0.00 O ATOM 324 CB TRP A 24 9.742 12.370 5.382 1.00 0.00 C ATOM 325 CG TRP A 24 10.839 11.341 5.097 1.00 0.00 C ATOM 326 CD1 TRP A 24 12.108 11.347 5.527 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.710 10.147 4.297 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.804 10.250 5.064 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.927 9.497 4.292 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.603 9.634 3.600 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.153 8.297 3.607 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.844 8.434 2.919 1.00 0.00 C ATOM 333 CH2 TRP A 24 11.063 7.767 2.905 1.00 0.00 C ATOM 0 H TRP A 24 11.144 14.358 4.651 1.00 0.00 H new ATOM 0 HA TRP A 24 9.192 12.596 3.366 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.051 12.992 6.222 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.837 11.846 5.690 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.533 12.115 6.157 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.782 10.031 5.253 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.642 10.126 3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.115 7.807 3.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.026 7.997 2.366 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.169 6.844 2.355 1.00 0.00 H new ATOM 344 N LYS A 25 7.033 13.639 4.044 1.00 0.00 N ATOM 345 CA LYS A 25 5.789 14.369 4.213 1.00 0.00 C ATOM 346 C LYS A 25 4.701 13.409 4.698 1.00 0.00 C ATOM 347 O LYS A 25 4.215 12.578 3.932 1.00 0.00 O ATOM 348 CB LYS A 25 5.424 15.113 2.927 1.00 0.00 C ATOM 349 CG LYS A 25 5.871 16.574 2.992 1.00 0.00 C ATOM 350 CD LYS A 25 5.820 17.226 1.609 1.00 0.00 C ATOM 351 CE LYS A 25 6.367 18.654 1.655 1.00 0.00 C ATOM 352 NZ LYS A 25 5.443 19.539 2.400 1.00 0.00 N ATOM 0 H LYS A 25 6.933 12.721 3.610 1.00 0.00 H new ATOM 0 HA LYS A 25 5.900 15.138 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.893 14.623 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.347 15.066 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.230 17.124 3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.885 16.630 3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.400 16.633 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.792 17.238 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.348 18.659 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.503 19.031 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.767 20.524 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.486 19.456 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.426 19.259 3.401 1.00 0.00 H new ATOM 366 N HIS A 26 4.350 13.555 5.968 1.00 0.00 N ATOM 367 CA HIS A 26 3.329 12.711 6.564 1.00 0.00 C ATOM 368 C HIS A 26 1.951 13.127 6.044 1.00 0.00 C ATOM 369 O HIS A 26 1.364 14.090 6.535 1.00 0.00 O ATOM 370 CB HIS A 26 3.421 12.742 8.091 1.00 0.00 C ATOM 371 CG HIS A 26 3.352 14.130 8.682 1.00 0.00 C ATOM 372 ND1 HIS A 26 3.197 15.346 8.084 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 3.449 14.371 10.041 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 3.197 16.280 9.028 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 3.354 15.678 10.241 1.00 0.00 N flip ATOM 0 H HIS A 26 4.755 14.245 6.600 1.00 0.00 H new ATOM 0 HA HIS A 26 3.492 11.674 6.270 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.612 12.141 8.506 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.356 12.273 8.398 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.098 15.510 7.082 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.580 13.622 10.808 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.090 17.342 8.862 1.00 0.00 H new ATOM 383 N LEU A 27 1.476 12.381 5.058 1.00 0.00 N ATOM 384 CA LEU A 27 0.179 12.661 4.466 1.00 0.00 C ATOM 385 C LEU A 27 -0.819 11.588 4.905 1.00 0.00 C ATOM 386 O LEU A 27 -0.431 10.570 5.477 1.00 0.00 O ATOM 387 CB LEU A 27 0.301 12.803 2.948 1.00 0.00 C ATOM 388 CG LEU A 27 0.766 14.168 2.437 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.832 14.013 1.350 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.420 15.009 1.961 1.00 0.00 C ATOM 0 H LEU A 27 1.966 11.583 4.654 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.203 13.618 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.997 12.046 2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.669 12.582 2.503 1.00 0.00 H new ATOM 0 HG LEU A 27 1.228 14.704 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.145 14.998 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.692 13.481 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.419 13.449 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.061 15.974 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.933 14.489 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.112 15.164 2.789 1.00 0.00 H new ATOM 402 N TRP A 28 -2.086 11.851 4.621 1.00 0.00 N ATOM 403 CA TRP A 28 -3.143 10.920 4.979 1.00 0.00 C ATOM 404 C TRP A 28 -3.528 10.136 3.723 1.00 0.00 C ATOM 405 O TRP A 28 -3.649 10.709 2.642 1.00 0.00 O ATOM 406 CB TRP A 28 -4.327 11.652 5.613 1.00 0.00 C ATOM 407 CG TRP A 28 -5.455 10.728 6.076 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.566 10.383 5.410 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.537 10.039 7.341 1.00 0.00 C ATOM 410 NE1 TRP A 28 -7.354 9.527 6.150 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.709 9.310 7.362 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.650 10.031 8.433 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -7.102 8.521 8.450 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -5.057 9.238 9.512 1.00 0.00 C ATOM 415 CH2 TRP A 28 -6.234 8.498 9.548 1.00 0.00 C ATOM 0 H TRP A 28 -2.405 12.696 4.147 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.797 10.216 5.736 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.970 12.228 6.467 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.728 12.365 4.893 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.813 10.732 4.418 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.246 9.127 5.861 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.728 10.593 8.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.025 7.960 8.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.412 9.198 10.377 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.477 7.908 10.419 1.00 0.00 H new ATOM 426 N PHE A 29 -3.708 8.836 3.908 1.00 0.00 N ATOM 427 CA PHE A 29 -4.077 7.967 2.803 1.00 0.00 C ATOM 428 C PHE A 29 -5.148 6.962 3.230 1.00 0.00 C ATOM 429 O PHE A 29 -5.157 6.506 4.372 1.00 0.00 O ATOM 430 CB PHE A 29 -2.815 7.206 2.392 1.00 0.00 C ATOM 431 CG PHE A 29 -1.662 8.108 1.945 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.629 8.587 0.672 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.672 8.430 2.819 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.559 9.424 0.257 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.398 9.266 2.403 1.00 0.00 C ATOM 436 CZ PHE A 29 0.431 9.745 1.131 1.00 0.00 C ATOM 0 H PHE A 29 -3.605 8.364 4.806 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.480 8.560 1.982 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.481 6.596 3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.064 6.522 1.580 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.416 8.331 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.699 8.050 3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.532 9.805 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.185 9.521 3.097 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.245 10.381 0.815 1.00 0.00 H new ATOM 446 N VAL A 30 -6.026 6.646 2.289 1.00 0.00 N ATOM 447 CA VAL A 30 -7.099 5.703 2.554 1.00 0.00 C ATOM 448 C VAL A 30 -7.252 4.762 1.357 1.00 0.00 C ATOM 449 O VAL A 30 -7.457 5.212 0.231 1.00 0.00 O ATOM 450 CB VAL A 30 -8.388 6.457 2.889 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.545 5.485 3.129 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.186 7.378 4.095 1.00 0.00 C ATOM 0 H VAL A 30 -6.016 7.026 1.343 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.862 5.089 3.423 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.646 7.079 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.449 6.047 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.712 4.889 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.300 4.826 3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.117 7.902 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.893 6.784 4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.404 8.104 3.871 1.00 0.00 H new ATOM 462 N ILE A 31 -7.146 3.472 1.642 1.00 0.00 N ATOM 463 CA ILE A 31 -7.270 2.464 0.603 1.00 0.00 C ATOM 464 C ILE A 31 -8.740 2.069 0.454 1.00 0.00 C ATOM 465 O ILE A 31 -9.221 1.177 1.152 1.00 0.00 O ATOM 466 CB ILE A 31 -6.341 1.282 0.890 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.884 1.739 0.977 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.533 0.171 -0.144 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.949 0.549 1.204 1.00 0.00 C ATOM 0 H ILE A 31 -6.976 3.102 2.577 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.949 2.866 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.606 0.866 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.605 2.255 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.772 2.455 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.861 -0.657 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.565 -0.180 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.310 0.557 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.919 0.901 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.215 0.050 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.046 -0.153 0.376 1.00 0.00 H new ATOM 481 N LYS A 32 -9.414 2.752 -0.459 1.00 0.00 N ATOM 482 CA LYS A 32 -10.821 2.484 -0.708 1.00 0.00 C ATOM 483 C LYS A 32 -10.994 1.990 -2.146 1.00 0.00 C ATOM 484 O LYS A 32 -10.397 2.538 -3.071 1.00 0.00 O ATOM 485 CB LYS A 32 -11.668 3.713 -0.374 1.00 0.00 C ATOM 486 CG LYS A 32 -13.065 3.599 -0.987 1.00 0.00 C ATOM 487 CD LYS A 32 -13.912 4.828 -0.654 1.00 0.00 C ATOM 488 CE LYS A 32 -13.632 5.970 -1.634 1.00 0.00 C ATOM 489 NZ LYS A 32 -14.754 6.935 -1.640 1.00 0.00 N ATOM 0 H LYS A 32 -9.012 3.491 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.180 1.691 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.749 3.820 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.175 4.611 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.984 3.491 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.558 2.701 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.969 4.565 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.698 5.156 0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.709 6.478 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.484 5.569 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.548 7.703 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.628 6.450 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.876 7.331 -0.686 1.00 0.00 H new ATOM 503 N ASN A 33 -11.814 0.959 -2.288 1.00 0.00 N ATOM 504 CA ASN A 33 -12.074 0.385 -3.598 1.00 0.00 C ATOM 505 C ASN A 33 -10.745 0.018 -4.262 1.00 0.00 C ATOM 506 O ASN A 33 -10.628 0.056 -5.485 1.00 0.00 O ATOM 507 CB ASN A 33 -12.795 1.384 -4.504 1.00 0.00 C ATOM 508 CG ASN A 33 -13.099 0.766 -5.870 1.00 0.00 C ATOM 509 OD1 ASN A 33 -12.550 1.149 -6.890 1.00 0.00 O ATOM 510 ND2 ASN A 33 -14.002 -0.210 -5.833 1.00 0.00 N ATOM 0 H ASN A 33 -12.307 0.506 -1.518 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.701 -0.496 -3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.723 1.705 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.179 2.274 -4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.273 -0.687 -6.693 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.423 -0.482 -4.945 1.00 0.00 H new ATOM 517 N LYS A 34 -9.778 -0.329 -3.425 1.00 0.00 N ATOM 518 CA LYS A 34 -8.463 -0.702 -3.915 1.00 0.00 C ATOM 519 C LYS A 34 -7.801 0.515 -4.565 1.00 0.00 C ATOM 520 O LYS A 34 -6.903 0.369 -5.393 1.00 0.00 O ATOM 521 CB LYS A 34 -8.561 -1.916 -4.841 1.00 0.00 C ATOM 522 CG LYS A 34 -7.938 -3.154 -4.191 1.00 0.00 C ATOM 523 CD LYS A 34 -9.013 -4.046 -3.568 1.00 0.00 C ATOM 524 CE LYS A 34 -8.414 -5.365 -3.077 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.483 -5.449 -1.601 1.00 0.00 N ATOM 0 H LYS A 34 -9.880 -0.359 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.822 -1.011 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.606 -2.113 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.055 -1.702 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.380 -3.719 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.226 -2.847 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.485 -3.525 -2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.793 -4.248 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.952 -6.203 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.377 -5.444 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.072 -6.351 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.950 -4.660 -1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.476 -5.395 -1.296 1.00 0.00 H new ATOM 539 N VAL A 35 -8.270 1.687 -4.165 1.00 0.00 N ATOM 540 CA VAL A 35 -7.735 2.929 -4.697 1.00 0.00 C ATOM 541 C VAL A 35 -7.067 3.717 -3.569 1.00 0.00 C ATOM 542 O VAL A 35 -7.678 3.958 -2.529 1.00 0.00 O ATOM 543 CB VAL A 35 -8.842 3.715 -5.403 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.334 5.084 -5.862 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.416 2.921 -6.577 1.00 0.00 C ATOM 0 H VAL A 35 -9.015 1.803 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.970 2.726 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.646 3.879 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.140 5.623 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.996 5.655 -4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.504 4.950 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.201 3.503 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.624 2.711 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.833 1.982 -6.212 1.00 0.00 H new ATOM 555 N LEU A 36 -5.821 4.097 -3.813 1.00 0.00 N ATOM 556 CA LEU A 36 -5.064 4.853 -2.830 1.00 0.00 C ATOM 557 C LEU A 36 -5.439 6.333 -2.932 1.00 0.00 C ATOM 558 O LEU A 36 -4.904 7.056 -3.771 1.00 0.00 O ATOM 559 CB LEU A 36 -3.565 4.586 -2.988 1.00 0.00 C ATOM 560 CG LEU A 36 -2.651 5.279 -1.976 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.350 6.717 -2.403 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.242 5.211 -0.566 1.00 0.00 C ATOM 0 H LEU A 36 -5.317 3.895 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.318 4.528 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.399 3.511 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.265 4.894 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.701 4.745 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.698 7.187 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.855 6.712 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.282 7.278 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.572 5.711 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.214 5.705 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.362 4.168 -0.272 1.00 0.00 H new ATOM 574 N TYR A 37 -6.355 6.739 -2.066 1.00 0.00 N ATOM 575 CA TYR A 37 -6.808 8.120 -2.047 1.00 0.00 C ATOM 576 C TYR A 37 -5.886 8.988 -1.188 1.00 0.00 C ATOM 577 O TYR A 37 -5.538 8.612 -0.070 1.00 0.00 O ATOM 578 CB TYR A 37 -8.202 8.098 -1.417 1.00 0.00 C ATOM 579 CG TYR A 37 -9.312 7.668 -2.378 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.765 8.542 -3.346 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.862 6.406 -2.277 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.810 8.137 -4.250 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.907 6.001 -3.181 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.329 6.886 -4.123 1.00 0.00 C ATOM 585 OH TYR A 37 -12.316 6.504 -4.977 1.00 0.00 O ATOM 0 H TYR A 37 -6.796 6.136 -1.372 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.811 8.537 -3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.193 7.421 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.432 9.092 -1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.335 9.530 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.508 5.722 -1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.173 8.811 -5.012 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.346 5.017 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.590 5.586 -4.770 1.00 0.00 H new ATOM 595 N THR A 38 -5.518 10.133 -1.743 1.00 0.00 N ATOM 596 CA THR A 38 -4.644 11.058 -1.042 1.00 0.00 C ATOM 597 C THR A 38 -5.466 12.027 -0.190 1.00 0.00 C ATOM 598 O THR A 38 -6.600 12.354 -0.535 1.00 0.00 O ATOM 599 CB THR A 38 -3.764 11.757 -2.080 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.954 10.711 -2.610 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.760 12.720 -1.444 1.00 0.00 C ATOM 0 H THR A 38 -5.809 10.441 -2.671 1.00 0.00 H new ATOM 0 HA THR A 38 -3.992 10.533 -0.343 1.00 0.00 H new ATOM 0 HB THR A 38 -4.395 12.302 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.353 11.076 -3.293 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.161 13.189 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.296 13.488 -0.887 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.107 12.170 -0.767 1.00 0.00 H new ATOM 609 N TYR A 39 -4.861 12.460 0.907 1.00 0.00 N ATOM 610 CA TYR A 39 -5.523 13.386 1.810 1.00 0.00 C ATOM 611 C TYR A 39 -4.507 14.292 2.508 1.00 0.00 C ATOM 612 O TYR A 39 -3.323 14.275 2.175 1.00 0.00 O ATOM 613 CB TYR A 39 -6.224 12.521 2.860 1.00 0.00 C ATOM 614 CG TYR A 39 -7.524 11.880 2.371 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.683 12.627 2.316 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.538 10.555 1.986 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.907 12.023 1.855 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.762 9.951 1.526 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.886 10.715 1.483 1.00 0.00 C ATOM 620 OH TYR A 39 -11.042 10.145 1.049 1.00 0.00 O ATOM 0 H TYR A 39 -3.920 12.187 1.190 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.217 14.026 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.542 11.734 3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.440 13.134 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.672 13.664 2.618 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.631 9.971 2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.821 12.596 1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.786 8.915 1.222 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.877 9.207 0.816 1.00 0.00 H new ATOM 630 N ALA A 40 -5.007 15.061 3.464 1.00 0.00 N ATOM 631 CA ALA A 40 -4.157 15.972 4.212 1.00 0.00 C ATOM 632 C ALA A 40 -4.420 15.795 5.709 1.00 0.00 C ATOM 633 O ALA A 40 -3.483 15.711 6.501 1.00 0.00 O ATOM 634 CB ALA A 40 -4.408 17.406 3.742 1.00 0.00 C ATOM 0 H ALA A 40 -5.990 15.072 3.738 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.105 15.749 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.771 18.090 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.179 17.486 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.453 17.666 3.908 1.00 0.00 H new ATOM 640 N ALA A 41 -5.699 15.743 6.051 1.00 0.00 N ATOM 641 CA ALA A 41 -6.096 15.577 7.438 1.00 0.00 C ATOM 642 C ALA A 41 -6.819 14.238 7.601 1.00 0.00 C ATOM 643 O ALA A 41 -7.108 13.561 6.615 1.00 0.00 O ATOM 644 CB ALA A 41 -6.963 16.763 7.867 1.00 0.00 C ATOM 0 H ALA A 41 -6.474 15.813 5.391 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.221 15.561 8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.261 16.638 8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.394 17.687 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.852 16.810 7.238 1.00 0.00 H new ATOM 688 N VAL A 45 -12.297 17.221 4.154 1.00 0.00 N ATOM 689 CA VAL A 45 -13.558 17.403 3.457 1.00 0.00 C ATOM 690 C VAL A 45 -13.586 16.505 2.219 1.00 0.00 C ATOM 691 O VAL A 45 -14.652 16.073 1.785 1.00 0.00 O ATOM 692 CB VAL A 45 -13.765 18.883 3.128 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.394 19.625 4.309 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.450 19.540 2.705 1.00 0.00 C ATOM 0 HA VAL A 45 -14.392 17.106 4.092 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.456 18.945 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.530 20.675 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.361 19.181 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.739 19.549 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.625 20.591 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.726 19.461 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.060 19.037 1.820 1.00 0.00 H new ATOM 704 N ALA A 46 -12.400 16.252 1.684 1.00 0.00 N ATOM 705 CA ALA A 46 -12.275 15.413 0.504 1.00 0.00 C ATOM 706 C ALA A 46 -10.818 14.973 0.349 1.00 0.00 C ATOM 707 O ALA A 46 -9.952 15.399 1.112 1.00 0.00 O ATOM 708 CB ALA A 46 -12.788 16.174 -0.720 1.00 0.00 C ATOM 0 H ALA A 46 -11.517 16.613 2.046 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.882 14.513 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.694 15.545 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.835 16.438 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.201 17.082 -0.856 1.00 0.00 H new ATOM 714 N ALA A 47 -10.592 14.127 -0.645 1.00 0.00 N ATOM 715 CA ALA A 47 -9.254 13.624 -0.910 1.00 0.00 C ATOM 716 C ALA A 47 -8.517 14.606 -1.823 1.00 0.00 C ATOM 717 O ALA A 47 -9.129 15.237 -2.684 1.00 0.00 O ATOM 718 CB ALA A 47 -9.346 12.222 -1.514 1.00 0.00 C ATOM 0 H ALA A 47 -11.312 13.777 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.684 13.543 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.343 11.845 -1.713 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.852 11.557 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.909 12.264 -2.446 1.00 0.00 H new ATOM 724 N LEU A 48 -7.214 14.703 -1.605 1.00 0.00 N ATOM 725 CA LEU A 48 -6.387 15.597 -2.398 1.00 0.00 C ATOM 726 C LEU A 48 -6.234 15.026 -3.809 1.00 0.00 C ATOM 727 O LEU A 48 -6.231 15.771 -4.788 1.00 0.00 O ATOM 728 CB LEU A 48 -5.055 15.861 -1.694 1.00 0.00 C ATOM 729 CG LEU A 48 -5.146 16.473 -0.294 1.00 0.00 C ATOM 730 CD1 LEU A 48 -3.771 16.933 0.193 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.176 17.604 -0.257 1.00 0.00 C ATOM 0 H LEU A 48 -6.710 14.177 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.867 16.571 -2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.512 14.919 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.460 16.525 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.490 15.702 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.864 17.364 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.093 16.080 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.375 17.683 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.221 18.022 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.886 18.384 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.156 17.213 -0.532 1.00 0.00 H new ATOM 743 N GLU A 49 -6.111 13.708 -3.870 1.00 0.00 N ATOM 744 CA GLU A 49 -5.958 13.028 -5.144 1.00 0.00 C ATOM 745 C GLU A 49 -6.512 11.605 -5.057 1.00 0.00 C ATOM 746 O GLU A 49 -6.804 11.114 -3.967 1.00 0.00 O ATOM 747 CB GLU A 49 -4.494 13.020 -5.589 1.00 0.00 C ATOM 748 CG GLU A 49 -4.116 14.343 -6.258 1.00 0.00 C ATOM 749 CD GLU A 49 -4.961 14.585 -7.511 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.048 13.642 -8.327 1.00 0.00 O ATOM 751 OE2 GLU A 49 -5.501 15.706 -7.623 1.00 0.00 O ATOM 0 H GLU A 49 -6.114 13.093 -3.056 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.529 13.574 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.849 12.847 -4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.326 12.197 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.258 15.164 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.059 14.331 -6.524 1.00 0.00 H new ATOM 758 N SER A 50 -6.642 10.982 -6.219 1.00 0.00 N ATOM 759 CA SER A 50 -7.156 9.625 -6.288 1.00 0.00 C ATOM 760 C SER A 50 -6.355 8.812 -7.307 1.00 0.00 C ATOM 761 O SER A 50 -6.055 9.299 -8.396 1.00 0.00 O ATOM 762 CB SER A 50 -8.642 9.617 -6.653 1.00 0.00 C ATOM 763 OG SER A 50 -9.056 10.852 -7.230 1.00 0.00 O ATOM 0 H SER A 50 -6.400 11.392 -7.121 1.00 0.00 H new ATOM 0 HA SER A 50 -7.048 9.169 -5.304 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.839 8.805 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.234 9.418 -5.760 1.00 0.00 H new ATOM 0 HG SER A 50 -10.010 10.807 -7.451 1.00 0.00 H new ATOM 769 N GLN A 51 -6.031 7.588 -6.917 1.00 0.00 N ATOM 770 CA GLN A 51 -5.271 6.703 -7.784 1.00 0.00 C ATOM 771 C GLN A 51 -5.536 5.242 -7.415 1.00 0.00 C ATOM 772 O GLN A 51 -5.420 4.861 -6.251 1.00 0.00 O ATOM 773 CB GLN A 51 -3.776 7.023 -7.717 1.00 0.00 C ATOM 774 CG GLN A 51 -3.274 7.579 -9.051 1.00 0.00 C ATOM 775 CD GLN A 51 -3.105 6.461 -10.082 1.00 0.00 C ATOM 776 OE1 GLN A 51 -2.721 5.346 -9.770 1.00 0.00 O ATOM 777 NE2 GLN A 51 -3.412 6.821 -11.325 1.00 0.00 N ATOM 0 H GLN A 51 -6.281 7.188 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.598 6.863 -8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.591 7.748 -6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.219 6.122 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.977 8.322 -9.427 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.322 8.088 -8.902 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.728 7.772 -11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.332 6.146 -12.086 1.00 0.00 H new ATOM 786 N PRO A 52 -5.897 4.444 -8.455 1.00 0.00 N ATOM 787 CA PRO A 52 -6.180 3.033 -8.252 1.00 0.00 C ATOM 788 C PRO A 52 -4.889 2.239 -8.045 1.00 0.00 C ATOM 789 O PRO A 52 -3.958 2.341 -8.843 1.00 0.00 O ATOM 790 CB PRO A 52 -6.949 2.604 -9.491 1.00 0.00 C ATOM 791 CG PRO A 52 -6.666 3.662 -10.545 1.00 0.00 C ATOM 792 CD PRO A 52 -6.045 4.861 -9.846 1.00 0.00 C ATOM 0 HA PRO A 52 -6.765 2.847 -7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.626 1.619 -9.830 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.017 2.535 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.990 3.272 -11.306 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.586 3.951 -11.053 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.082 5.121 -10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.682 5.742 -9.930 1.00 0.00 H new ATOM 800 N LEU A 53 -4.873 1.466 -6.969 1.00 0.00 N ATOM 801 CA LEU A 53 -3.711 0.655 -6.647 1.00 0.00 C ATOM 802 C LEU A 53 -3.553 -0.443 -7.701 1.00 0.00 C ATOM 803 O LEU A 53 -2.515 -1.100 -7.768 1.00 0.00 O ATOM 804 CB LEU A 53 -3.809 0.123 -5.216 1.00 0.00 C ATOM 805 CG LEU A 53 -3.594 1.150 -4.103 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.170 0.651 -2.776 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.115 1.525 -3.981 1.00 0.00 C ATOM 0 H LEU A 53 -5.646 1.384 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.805 1.260 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.793 -0.327 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.075 -0.674 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.136 2.058 -4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.003 1.400 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.240 0.476 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.677 -0.279 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.990 2.256 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.531 0.634 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.769 1.952 -4.922 1.00 0.00 H new ATOM 819 N LEU A 54 -4.598 -0.608 -8.499 1.00 0.00 N ATOM 820 CA LEU A 54 -4.587 -1.615 -9.547 1.00 0.00 C ATOM 821 C LEU A 54 -3.531 -1.247 -10.591 1.00 0.00 C ATOM 822 O LEU A 54 -3.493 -0.114 -11.069 1.00 0.00 O ATOM 823 CB LEU A 54 -5.990 -1.796 -10.129 1.00 0.00 C ATOM 824 CG LEU A 54 -6.302 -3.177 -10.711 1.00 0.00 C ATOM 825 CD1 LEU A 54 -7.800 -3.334 -10.978 1.00 0.00 C ATOM 826 CD2 LEU A 54 -5.465 -3.445 -11.964 1.00 0.00 C ATOM 0 H LEU A 54 -5.457 -0.062 -8.441 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.307 -2.587 -9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.717 -1.581 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.136 -1.052 -10.912 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.027 -3.930 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.994 -4.324 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.350 -3.216 -10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.124 -2.574 -11.689 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.706 -4.432 -12.358 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.687 -2.690 -12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.406 -3.404 -11.710 1.00 0.00 H new ATOM 838 N GLY A 55 -2.700 -2.226 -10.915 1.00 0.00 N ATOM 839 CA GLY A 55 -1.646 -2.020 -11.894 1.00 0.00 C ATOM 840 C GLY A 55 -0.331 -1.638 -11.212 1.00 0.00 C ATOM 841 O GLY A 55 0.747 -1.890 -11.749 1.00 0.00 O ATOM 0 H GLY A 55 -2.735 -3.165 -10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.506 -2.929 -12.479 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.940 -1.235 -12.590 1.00 0.00 H new ATOM 845 N PHE A 56 -0.463 -1.037 -10.039 1.00 0.00 N ATOM 846 CA PHE A 56 0.702 -0.618 -9.277 1.00 0.00 C ATOM 847 C PHE A 56 1.277 -1.783 -8.469 1.00 0.00 C ATOM 848 O PHE A 56 0.784 -2.907 -8.557 1.00 0.00 O ATOM 849 CB PHE A 56 0.237 0.475 -8.313 1.00 0.00 C ATOM 850 CG PHE A 56 -0.002 1.832 -8.980 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.048 1.994 -9.834 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.830 2.874 -8.718 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.270 3.253 -10.453 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.608 4.133 -9.336 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.437 4.296 -10.191 1.00 0.00 C ATOM 0 H PHE A 56 -1.359 -0.830 -9.597 1.00 0.00 H new ATOM 0 HA PHE A 56 1.479 -0.261 -9.953 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.685 0.151 -7.830 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.983 0.594 -7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.709 1.166 -10.041 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.660 2.745 -8.040 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.100 3.382 -11.132 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.269 4.961 -9.127 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.605 5.253 -10.662 1.00 0.00 H new ATOM 865 N THR A 57 2.311 -1.475 -7.700 1.00 0.00 N ATOM 866 CA THR A 57 2.958 -2.483 -6.877 1.00 0.00 C ATOM 867 C THR A 57 3.633 -1.831 -5.669 1.00 0.00 C ATOM 868 O THR A 57 3.632 -0.608 -5.537 1.00 0.00 O ATOM 869 CB THR A 57 3.927 -3.267 -7.764 1.00 0.00 C ATOM 870 OG1 THR A 57 3.191 -3.498 -8.963 1.00 0.00 O ATOM 871 CG2 THR A 57 4.210 -4.670 -7.224 1.00 0.00 C ATOM 0 H THR A 57 2.717 -0.542 -7.629 1.00 0.00 H new ATOM 0 HA THR A 57 2.232 -3.184 -6.466 1.00 0.00 H new ATOM 0 HB THR A 57 4.864 -2.717 -7.853 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.746 -4.000 -9.596 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.903 -5.183 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.651 -4.595 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.278 -5.232 -7.166 1.00 0.00 H new ATOM 879 N VAL A 58 4.193 -2.677 -4.816 1.00 0.00 N ATOM 880 CA VAL A 58 4.870 -2.198 -3.623 1.00 0.00 C ATOM 881 C VAL A 58 6.066 -3.104 -3.323 1.00 0.00 C ATOM 882 O VAL A 58 6.089 -4.264 -3.731 1.00 0.00 O ATOM 883 CB VAL A 58 3.880 -2.110 -2.460 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.504 -2.639 -1.167 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.374 -0.677 -2.278 1.00 0.00 C ATOM 0 H VAL A 58 4.192 -3.691 -4.928 1.00 0.00 H new ATOM 0 HA VAL A 58 5.256 -1.191 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 58 3.024 -2.740 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.779 -2.565 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.792 -3.682 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.386 -2.048 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.672 -0.642 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.216 -0.017 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.873 -0.350 -3.189 1.00 0.00 H new ATOM 895 N THR A 59 7.031 -2.540 -2.611 1.00 0.00 N ATOM 896 CA THR A 59 8.227 -3.282 -2.251 1.00 0.00 C ATOM 897 C THR A 59 8.958 -2.590 -1.099 1.00 0.00 C ATOM 898 O THR A 59 8.792 -1.390 -0.886 1.00 0.00 O ATOM 899 CB THR A 59 9.084 -3.436 -3.509 1.00 0.00 C ATOM 900 OG1 THR A 59 9.851 -4.612 -3.265 1.00 0.00 O ATOM 901 CG2 THR A 59 10.132 -2.329 -3.643 1.00 0.00 C ATOM 0 H THR A 59 7.009 -1.578 -2.274 1.00 0.00 H new ATOM 0 HA THR A 59 7.979 -4.278 -1.885 1.00 0.00 H new ATOM 0 HB THR A 59 8.440 -3.435 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.434 -4.787 -4.033 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.713 -2.486 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.634 -1.361 -3.693 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.797 -2.351 -2.780 1.00 0.00 H new ATOM 909 N LEU A 60 9.750 -3.376 -0.386 1.00 0.00 N ATOM 910 CA LEU A 60 10.507 -2.854 0.739 1.00 0.00 C ATOM 911 C LEU A 60 11.799 -2.214 0.227 1.00 0.00 C ATOM 912 O LEU A 60 12.396 -2.697 -0.734 1.00 0.00 O ATOM 913 CB LEU A 60 10.735 -3.947 1.786 1.00 0.00 C ATOM 914 CG LEU A 60 11.002 -3.464 3.213 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.299 -2.657 3.285 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.807 -2.680 3.759 1.00 0.00 C ATOM 0 H LEU A 60 9.884 -4.371 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 60 9.943 -2.072 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.859 -4.596 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.579 -4.558 1.467 1.00 0.00 H new ATOM 0 HG LEU A 60 11.132 -4.338 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.465 -2.326 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.134 -3.281 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.224 -1.788 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.023 -2.348 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.621 -1.813 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.925 -3.320 3.766 1.00 0.00 H new ATOM 928 N VAL A 61 12.192 -1.137 0.891 1.00 0.00 N ATOM 929 CA VAL A 61 13.402 -0.427 0.514 1.00 0.00 C ATOM 930 C VAL A 61 14.368 -0.409 1.701 1.00 0.00 C ATOM 931 O VAL A 61 13.941 -0.333 2.852 1.00 0.00 O ATOM 932 CB VAL A 61 13.051 0.974 0.009 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.810 1.518 0.720 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.236 1.928 0.168 1.00 0.00 C ATOM 0 H VAL A 61 11.694 -0.739 1.687 1.00 0.00 H new ATOM 0 HA VAL A 61 13.904 -0.938 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 61 12.823 0.899 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.582 2.515 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.964 0.857 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.999 1.570 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.959 2.916 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.510 1.995 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.084 1.553 -0.405 1.00 0.00 H new ATOM 1033 N SER A 68 13.254 -2.463 7.725 1.00 0.00 N ATOM 1034 CA SER A 68 12.090 -2.631 6.872 1.00 0.00 C ATOM 1035 C SER A 68 10.889 -1.902 7.477 1.00 0.00 C ATOM 1036 O SER A 68 9.963 -2.536 7.982 1.00 0.00 O ATOM 1037 CB SER A 68 11.765 -4.112 6.669 1.00 0.00 C ATOM 1038 OG SER A 68 12.477 -4.669 5.568 1.00 0.00 O ATOM 0 HA SER A 68 12.315 -2.200 5.897 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.010 -4.665 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.694 -4.229 6.504 1.00 0.00 H new ATOM 0 HG SER A 68 12.030 -5.489 5.270 1.00 0.00 H new ATOM 1044 N LYS A 69 10.942 -0.580 7.405 1.00 0.00 N ATOM 1045 CA LYS A 69 9.869 0.242 7.939 1.00 0.00 C ATOM 1046 C LYS A 69 9.444 1.266 6.885 1.00 0.00 C ATOM 1047 O LYS A 69 8.634 2.149 7.163 1.00 0.00 O ATOM 1048 CB LYS A 69 10.286 0.868 9.271 1.00 0.00 C ATOM 1049 CG LYS A 69 10.507 -0.207 10.337 1.00 0.00 C ATOM 1050 CD LYS A 69 11.471 0.283 11.419 1.00 0.00 C ATOM 1051 CE LYS A 69 11.668 -0.781 12.501 1.00 0.00 C ATOM 1052 NZ LYS A 69 12.732 -1.730 12.107 1.00 0.00 N ATOM 0 H LYS A 69 11.711 -0.058 6.985 1.00 0.00 H new ATOM 0 HA LYS A 69 8.995 -0.370 8.160 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.201 1.444 9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.517 1.565 9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.553 -0.476 10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.905 -1.109 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.432 0.532 10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.084 1.197 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.930 -0.304 13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.734 -1.319 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.853 -2.445 12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.467 -2.199 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.625 -1.214 11.974 1.00 0.00 H new ATOM 1066 N VAL A 70 10.010 1.114 5.696 1.00 0.00 N ATOM 1067 CA VAL A 70 9.699 2.015 4.599 1.00 0.00 C ATOM 1068 C VAL A 70 9.557 1.207 3.307 1.00 0.00 C ATOM 1069 O VAL A 70 10.297 0.251 3.084 1.00 0.00 O ATOM 1070 CB VAL A 70 10.763 3.111 4.505 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.157 2.507 4.323 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.439 4.093 3.377 1.00 0.00 C ATOM 0 H VAL A 70 10.682 0.381 5.469 1.00 0.00 H new ATOM 0 HA VAL A 70 8.748 2.518 4.775 1.00 0.00 H new ATOM 0 HB VAL A 70 10.758 3.665 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.895 3.307 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.390 1.866 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.181 1.917 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.210 4.862 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.403 3.558 2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.472 4.559 3.567 1.00 0.00 H new ATOM 1082 N PHE A 71 8.599 1.622 2.490 1.00 0.00 N ATOM 1083 CA PHE A 71 8.350 0.949 1.227 1.00 0.00 C ATOM 1084 C PHE A 71 8.146 1.962 0.098 1.00 0.00 C ATOM 1085 O PHE A 71 8.002 3.157 0.349 1.00 0.00 O ATOM 1086 CB PHE A 71 7.069 0.132 1.400 1.00 0.00 C ATOM 1087 CG PHE A 71 5.937 0.889 2.097 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.009 1.142 3.432 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.859 1.309 1.383 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.958 1.845 4.079 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.808 2.012 2.030 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.880 2.265 3.364 1.00 0.00 C ATOM 0 H PHE A 71 7.987 2.416 2.679 1.00 0.00 H new ATOM 0 HA PHE A 71 9.201 0.320 0.966 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.724 -0.195 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.298 -0.767 1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.865 0.808 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.802 1.108 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.015 2.046 5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.952 2.346 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.081 2.800 3.856 1.00 0.00 H new ATOM 1102 N GLN A 72 8.140 1.446 -1.123 1.00 0.00 N ATOM 1103 CA GLN A 72 7.956 2.289 -2.291 1.00 0.00 C ATOM 1104 C GLN A 72 6.752 1.813 -3.106 1.00 0.00 C ATOM 1105 O GLN A 72 6.429 0.626 -3.107 1.00 0.00 O ATOM 1106 CB GLN A 72 9.222 2.320 -3.150 1.00 0.00 C ATOM 1107 CG GLN A 72 10.296 3.204 -2.513 1.00 0.00 C ATOM 1108 CD GLN A 72 11.559 3.239 -3.375 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.074 4.289 -3.725 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.029 2.037 -3.695 1.00 0.00 N ATOM 0 H GLN A 72 8.260 0.454 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 72 7.761 3.307 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.606 1.308 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.981 2.694 -4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.911 4.216 -2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.540 2.828 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.549 1.198 -3.369 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.870 1.954 -4.267 1.00 0.00 H new ATOM 1119 N LEU A 73 6.120 2.762 -3.779 1.00 0.00 N ATOM 1120 CA LEU A 73 4.958 2.454 -4.596 1.00 0.00 C ATOM 1121 C LEU A 73 5.392 2.306 -6.056 1.00 0.00 C ATOM 1122 O LEU A 73 5.513 3.297 -6.775 1.00 0.00 O ATOM 1123 CB LEU A 73 3.861 3.499 -4.384 1.00 0.00 C ATOM 1124 CG LEU A 73 2.599 3.328 -5.231 1.00 0.00 C ATOM 1125 CD1 LEU A 73 1.961 1.958 -4.993 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.612 4.470 -4.981 1.00 0.00 C ATOM 0 H LEU A 73 6.390 3.746 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 73 4.522 1.502 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.573 3.487 -3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.281 4.484 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 73 2.884 3.373 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.066 1.862 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.670 1.175 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.692 1.860 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.724 4.324 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.328 4.481 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.081 5.419 -5.240 1.00 0.00 H new ATOM 1138 N LEU A 74 5.614 1.061 -6.451 1.00 0.00 N ATOM 1139 CA LEU A 74 6.031 0.770 -7.812 1.00 0.00 C ATOM 1140 C LEU A 74 4.814 0.824 -8.736 1.00 0.00 C ATOM 1141 O LEU A 74 3.700 0.507 -8.321 1.00 0.00 O ATOM 1142 CB LEU A 74 6.788 -0.558 -7.868 1.00 0.00 C ATOM 1143 CG LEU A 74 8.228 -0.532 -7.351 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.430 -1.564 -6.239 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.226 -0.720 -8.495 1.00 0.00 C ATOM 0 H LEU A 74 5.513 0.242 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 74 6.733 1.525 -8.165 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.230 -1.296 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.800 -0.903 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 74 8.417 0.450 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.462 -1.525 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.757 -1.342 -5.410 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.215 -2.561 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.241 -0.697 -8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.047 -1.680 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.102 0.083 -9.222 1.00 0.00 H new ATOM 1157 N HIS A 75 5.067 1.228 -9.973 1.00 0.00 N ATOM 1158 CA HIS A 75 4.005 1.327 -10.960 1.00 0.00 C ATOM 1159 C HIS A 75 4.493 0.766 -12.297 1.00 0.00 C ATOM 1160 O HIS A 75 5.120 1.477 -13.080 1.00 0.00 O ATOM 1161 CB HIS A 75 3.498 2.766 -11.070 1.00 0.00 C ATOM 1162 CG HIS A 75 2.581 3.006 -12.245 1.00 0.00 C ATOM 1163 ND1 HIS A 75 2.959 3.746 -13.352 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.301 2.596 -12.475 1.00 0.00 C ATOM 1165 CE1 HIS A 75 1.944 3.774 -14.203 1.00 0.00 C ATOM 1166 NE2 HIS A 75 0.917 3.062 -13.657 1.00 0.00 N ATOM 0 H HIS A 75 5.992 1.490 -10.314 1.00 0.00 H new ATOM 0 HA HIS A 75 3.152 0.726 -10.643 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.971 3.026 -10.152 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.354 3.437 -11.147 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.701 1.994 -11.808 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.932 4.273 -15.161 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.004 2.912 -14.086 1.00 0.00 H new ATOM 1174 N LYS A 76 4.187 -0.504 -12.517 1.00 0.00 N ATOM 1175 CA LYS A 76 4.587 -1.168 -13.746 1.00 0.00 C ATOM 1176 C LYS A 76 6.032 -1.653 -13.611 1.00 0.00 C ATOM 1177 O LYS A 76 6.550 -2.325 -14.502 1.00 0.00 O ATOM 1178 CB LYS A 76 4.354 -0.253 -14.950 1.00 0.00 C ATOM 1179 CG LYS A 76 3.027 0.497 -14.820 1.00 0.00 C ATOM 1180 CD LYS A 76 2.493 0.907 -16.194 1.00 0.00 C ATOM 1181 CE LYS A 76 3.518 1.754 -16.950 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.364 0.897 -17.811 1.00 0.00 N ATOM 0 H LYS A 76 3.667 -1.091 -11.865 1.00 0.00 H new ATOM 0 HA LYS A 76 3.970 -2.049 -13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.173 0.461 -15.032 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.354 -0.844 -15.866 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.296 -0.135 -14.315 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.165 1.383 -14.200 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.252 0.017 -16.775 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.567 1.470 -16.075 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.005 2.498 -17.559 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.143 2.298 -16.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.600 1.409 -18.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.239 0.653 -17.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.847 0.026 -18.049 1.00 0.00 H new ATOM 1196 N GLY A 77 6.642 -1.292 -12.492 1.00 0.00 N ATOM 1197 CA GLY A 77 8.017 -1.682 -12.230 1.00 0.00 C ATOM 1198 C GLY A 77 8.842 -0.488 -11.744 1.00 0.00 C ATOM 1199 O GLY A 77 9.870 -0.664 -11.092 1.00 0.00 O ATOM 0 H GLY A 77 6.209 -0.734 -11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.038 -2.473 -11.480 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.462 -2.091 -13.137 1.00 0.00 H new ATOM 1203 N MET A 78 8.360 0.699 -12.081 1.00 0.00 N ATOM 1204 CA MET A 78 9.040 1.922 -11.688 1.00 0.00 C ATOM 1205 C MET A 78 8.457 2.480 -10.388 1.00 0.00 C ATOM 1206 O MET A 78 7.247 2.429 -10.174 1.00 0.00 O ATOM 1207 CB MET A 78 8.901 2.964 -12.799 1.00 0.00 C ATOM 1208 CG MET A 78 9.567 2.482 -14.090 1.00 0.00 C ATOM 1209 SD MET A 78 8.819 3.284 -15.499 1.00 0.00 S ATOM 1210 CE MET A 78 9.826 2.609 -16.809 1.00 0.00 C ATOM 0 H MET A 78 7.507 0.840 -12.622 1.00 0.00 H new ATOM 0 HA MET A 78 10.093 1.693 -11.523 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.846 3.166 -12.983 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.354 3.903 -12.481 1.00 0.00 H new ATOM 0 HG2 MET A 78 10.635 2.700 -14.061 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.465 1.401 -14.180 1.00 0.00 H new ATOM 0 HE1 MET A 78 9.492 3.008 -17.767 1.00 0.00 H new ATOM 0 HE2 MET A 78 10.868 2.883 -16.645 1.00 0.00 H new ATOM 0 HE3 MET A 78 9.733 1.523 -16.816 1.00 0.00 H new ATOM 1220 N VAL A 79 9.346 3.000 -9.554 1.00 0.00 N ATOM 1221 CA VAL A 79 8.934 3.566 -8.281 1.00 0.00 C ATOM 1222 C VAL A 79 8.148 4.855 -8.531 1.00 0.00 C ATOM 1223 O VAL A 79 8.526 5.662 -9.378 1.00 0.00 O ATOM 1224 CB VAL A 79 10.155 3.777 -7.383 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.824 4.711 -6.217 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.700 2.440 -6.876 1.00 0.00 C ATOM 0 H VAL A 79 10.349 3.041 -9.735 1.00 0.00 H new ATOM 0 HA VAL A 79 8.273 2.878 -7.754 1.00 0.00 H new ATOM 0 HB VAL A 79 10.933 4.251 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.709 4.844 -5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.505 5.678 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.022 4.277 -5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.567 2.618 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 79 9.929 1.927 -6.302 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.993 1.821 -7.724 1.00 0.00 H new ATOM 1236 N PHE A 80 7.067 5.006 -7.779 1.00 0.00 N ATOM 1237 CA PHE A 80 6.224 6.182 -7.909 1.00 0.00 C ATOM 1238 C PHE A 80 6.402 7.120 -6.713 1.00 0.00 C ATOM 1239 O PHE A 80 6.494 8.335 -6.881 1.00 0.00 O ATOM 1240 CB PHE A 80 4.775 5.692 -7.946 1.00 0.00 C ATOM 1241 CG PHE A 80 3.756 6.788 -8.264 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.944 7.602 -9.337 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.661 6.948 -7.473 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.997 8.618 -9.631 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.715 7.965 -7.767 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.903 8.779 -8.840 1.00 0.00 C ATOM 0 H PHE A 80 6.756 4.333 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 80 6.491 6.733 -8.811 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.688 4.902 -8.692 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.527 5.249 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.813 7.476 -9.965 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.511 6.301 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.146 9.264 -10.484 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.846 8.092 -7.138 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.184 9.553 -9.064 1.00 0.00 H new ATOM 1256 N TYR A 81 6.446 6.519 -5.533 1.00 0.00 N ATOM 1257 CA TYR A 81 6.612 7.286 -4.309 1.00 0.00 C ATOM 1258 C TYR A 81 7.050 6.384 -3.153 1.00 0.00 C ATOM 1259 O TYR A 81 6.806 5.179 -3.175 1.00 0.00 O ATOM 1260 CB TYR A 81 5.236 7.872 -3.990 1.00 0.00 C ATOM 1261 CG TYR A 81 4.930 9.179 -4.724 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.774 10.262 -4.586 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.811 9.275 -5.526 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.487 11.492 -5.277 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.524 10.505 -6.218 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.376 11.553 -6.059 1.00 0.00 C ATOM 1267 OH TYR A 81 4.104 12.714 -6.712 1.00 0.00 O ATOM 0 H TYR A 81 6.370 5.511 -5.398 1.00 0.00 H new ATOM 0 HA TYR A 81 7.374 8.055 -4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.472 7.137 -4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.167 8.046 -2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.650 10.187 -3.959 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.150 8.428 -5.635 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.139 12.347 -5.177 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.652 10.593 -6.849 1.00 0.00 H new ATOM 0 HH TYR A 81 3.281 12.611 -7.233 1.00 0.00 H new ATOM 1277 N VAL A 82 7.689 7.003 -2.172 1.00 0.00 N ATOM 1278 CA VAL A 82 8.163 6.272 -1.009 1.00 0.00 C ATOM 1279 C VAL A 82 7.181 6.470 0.148 1.00 0.00 C ATOM 1280 O VAL A 82 6.452 7.459 0.186 1.00 0.00 O ATOM 1281 CB VAL A 82 9.589 6.706 -0.664 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.209 5.773 0.378 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.459 6.781 -1.920 1.00 0.00 C ATOM 0 H VAL A 82 7.890 8.003 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 82 8.205 5.203 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 82 9.539 7.705 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.222 6.104 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.608 5.793 1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.239 4.757 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.467 7.092 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.498 5.801 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.033 7.504 -2.615 1.00 0.00 H new ATOM 1293 N PHE A 83 7.194 5.511 1.063 1.00 0.00 N ATOM 1294 CA PHE A 83 6.314 5.568 2.217 1.00 0.00 C ATOM 1295 C PHE A 83 6.966 4.912 3.436 1.00 0.00 C ATOM 1296 O PHE A 83 7.500 3.808 3.341 1.00 0.00 O ATOM 1297 CB PHE A 83 5.047 4.791 1.852 1.00 0.00 C ATOM 1298 CG PHE A 83 4.197 5.461 0.772 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.350 6.473 1.103 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.286 5.045 -0.520 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.561 7.095 0.100 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.496 5.667 -1.523 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.650 6.679 -1.192 1.00 0.00 C ATOM 0 H PHE A 83 7.800 4.691 1.028 1.00 0.00 H new ATOM 0 HA PHE A 83 6.097 6.606 2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.329 3.795 1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.441 4.662 2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.278 6.803 2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.958 4.241 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.890 7.899 0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.567 5.336 -2.549 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.049 7.152 -1.955 1.00 0.00 H new ATOM 1313 N LYS A 84 6.902 5.620 4.554 1.00 0.00 N ATOM 1314 CA LYS A 84 7.480 5.121 5.791 1.00 0.00 C ATOM 1315 C LYS A 84 6.357 4.787 6.775 1.00 0.00 C ATOM 1316 O LYS A 84 5.331 5.464 6.804 1.00 0.00 O ATOM 1317 CB LYS A 84 8.506 6.114 6.342 1.00 0.00 C ATOM 1318 CG LYS A 84 8.845 5.798 7.800 1.00 0.00 C ATOM 1319 CD LYS A 84 9.715 6.899 8.411 1.00 0.00 C ATOM 1320 CE LYS A 84 9.257 7.235 9.831 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.109 6.548 10.827 1.00 0.00 N ATOM 0 H LYS A 84 6.459 6.536 4.629 1.00 0.00 H new ATOM 0 HA LYS A 84 8.030 4.198 5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.413 6.079 5.738 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.113 7.128 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.926 5.694 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.367 4.843 7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.756 6.577 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.667 7.793 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.301 8.313 9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.218 6.935 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.784 6.787 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.046 5.519 10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.096 6.854 10.710 1.00 0.00 H new ATOM 1335 N ALA A 85 6.590 3.743 7.557 1.00 0.00 N ATOM 1336 CA ALA A 85 5.611 3.311 8.539 1.00 0.00 C ATOM 1337 C ALA A 85 6.185 3.505 9.944 1.00 0.00 C ATOM 1338 O ALA A 85 7.402 3.514 10.126 1.00 0.00 O ATOM 1339 CB ALA A 85 5.219 1.858 8.265 1.00 0.00 C ATOM 0 H ALA A 85 7.443 3.184 7.530 1.00 0.00 H new ATOM 0 HA ALA A 85 4.704 3.912 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.484 1.534 9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.790 1.779 7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.103 1.224 8.331 1.00 0.00 H new ATOM 1345 N ASP A 86 5.283 3.655 10.902 1.00 0.00 N ATOM 1346 CA ASP A 86 5.684 3.848 12.285 1.00 0.00 C ATOM 1347 C ASP A 86 6.769 2.830 12.644 1.00 0.00 C ATOM 1348 O ASP A 86 7.920 3.199 12.871 1.00 0.00 O ATOM 1349 CB ASP A 86 4.505 3.636 13.236 1.00 0.00 C ATOM 1350 CG ASP A 86 3.949 4.912 13.872 1.00 0.00 C ATOM 1351 OD1 ASP A 86 3.873 5.923 13.141 1.00 0.00 O ATOM 1352 OD2 ASP A 86 3.614 4.847 15.075 1.00 0.00 O ATOM 0 H ASP A 86 4.275 3.647 10.748 1.00 0.00 H new ATOM 0 HA ASP A 86 6.052 4.869 12.389 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.702 3.141 12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.816 2.958 14.031 1.00 0.00 H new ATOM 1357 N ASP A 87 6.363 1.569 12.683 1.00 0.00 N ATOM 1358 CA ASP A 87 7.286 0.496 13.009 1.00 0.00 C ATOM 1359 C ASP A 87 7.356 -0.486 11.837 1.00 0.00 C ATOM 1360 O ASP A 87 6.847 -0.201 10.754 1.00 0.00 O ATOM 1361 CB ASP A 87 6.818 -0.276 14.245 1.00 0.00 C ATOM 1362 CG ASP A 87 5.536 -1.088 14.053 1.00 0.00 C ATOM 1363 OD1 ASP A 87 4.834 -0.814 13.055 1.00 0.00 O ATOM 1364 OD2 ASP A 87 5.287 -1.966 14.907 1.00 0.00 O ATOM 0 H ASP A 87 5.407 1.267 12.494 1.00 0.00 H new ATOM 0 HA ASP A 87 8.262 0.940 13.208 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.615 -0.952 14.556 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.664 0.431 15.060 1.00 0.00 H new ATOM 1369 N ALA A 88 7.990 -1.620 12.094 1.00 0.00 N ATOM 1370 CA ALA A 88 8.133 -2.645 11.074 1.00 0.00 C ATOM 1371 C ALA A 88 6.776 -3.308 10.830 1.00 0.00 C ATOM 1372 O ALA A 88 6.384 -3.526 9.685 1.00 0.00 O ATOM 1373 CB ALA A 88 9.204 -3.649 11.505 1.00 0.00 C ATOM 0 H ALA A 88 8.411 -1.852 12.994 1.00 0.00 H new ATOM 0 HA ALA A 88 8.459 -2.206 10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.311 -4.418 10.740 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.155 -3.133 11.636 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.910 -4.113 12.447 1.00 0.00 H new ATOM 1379 N HIS A 89 6.096 -3.612 11.926 1.00 0.00 N ATOM 1380 CA HIS A 89 4.791 -4.246 11.846 1.00 0.00 C ATOM 1381 C HIS A 89 3.888 -3.444 10.906 1.00 0.00 C ATOM 1382 O HIS A 89 3.333 -3.993 9.955 1.00 0.00 O ATOM 1383 CB HIS A 89 4.187 -4.424 13.240 1.00 0.00 C ATOM 1384 CG HIS A 89 4.984 -5.335 14.143 1.00 0.00 C ATOM 1385 ND1 HIS A 89 4.430 -5.978 15.237 1.00 0.00 N ATOM 1386 CD2 HIS A 89 6.296 -5.704 14.103 1.00 0.00 C ATOM 1387 CE1 HIS A 89 5.376 -6.698 15.821 1.00 0.00 C ATOM 1388 NE2 HIS A 89 6.532 -6.527 15.117 1.00 0.00 N ATOM 0 H HIS A 89 6.425 -3.431 12.874 1.00 0.00 H new ATOM 0 HA HIS A 89 4.894 -5.247 11.428 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.098 -3.446 13.714 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.177 -4.822 13.139 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.021 -5.381 13.370 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.254 -7.313 16.700 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.430 -6.960 15.334 1.00 0.00 H new ATOM 1396 N SER A 90 3.768 -2.159 11.205 1.00 0.00 N ATOM 1397 CA SER A 90 2.942 -1.277 10.399 1.00 0.00 C ATOM 1398 C SER A 90 3.325 -1.405 8.924 1.00 0.00 C ATOM 1399 O SER A 90 2.485 -1.731 8.087 1.00 0.00 O ATOM 1400 CB SER A 90 3.077 0.176 10.859 1.00 0.00 C ATOM 1401 OG SER A 90 2.654 0.351 12.208 1.00 0.00 O ATOM 0 H SER A 90 4.229 -1.707 11.995 1.00 0.00 H new ATOM 0 HA SER A 90 1.901 -1.574 10.524 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.116 0.492 10.761 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.485 0.819 10.207 1.00 0.00 H new ATOM 0 HG SER A 90 3.369 0.065 12.815 1.00 0.00 H new ATOM 1407 N THR A 91 4.594 -1.142 8.650 1.00 0.00 N ATOM 1408 CA THR A 91 5.099 -1.223 7.289 1.00 0.00 C ATOM 1409 C THR A 91 4.505 -2.437 6.572 1.00 0.00 C ATOM 1410 O THR A 91 3.864 -2.296 5.532 1.00 0.00 O ATOM 1411 CB THR A 91 6.627 -1.243 7.352 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.995 0.132 7.281 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.257 -1.862 6.103 1.00 0.00 C ATOM 0 H THR A 91 5.288 -0.873 9.347 1.00 0.00 H new ATOM 0 HA THR A 91 4.795 -0.356 6.702 1.00 0.00 H new ATOM 0 HB THR A 91 6.946 -1.800 8.233 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.796 0.478 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.343 -1.851 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.913 -2.890 5.993 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.965 -1.286 5.225 1.00 0.00 H new ATOM 1421 N GLN A 92 4.739 -3.603 7.157 1.00 0.00 N ATOM 1422 CA GLN A 92 4.235 -4.841 6.587 1.00 0.00 C ATOM 1423 C GLN A 92 2.751 -4.702 6.243 1.00 0.00 C ATOM 1424 O GLN A 92 2.338 -5.001 5.124 1.00 0.00 O ATOM 1425 CB GLN A 92 4.470 -6.017 7.536 1.00 0.00 C ATOM 1426 CG GLN A 92 5.923 -6.494 7.470 1.00 0.00 C ATOM 1427 CD GLN A 92 6.195 -7.246 6.166 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.889 -8.418 6.021 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.785 -6.510 5.229 1.00 0.00 N ATOM 0 H GLN A 92 5.271 -3.716 8.020 1.00 0.00 H new ATOM 0 HA GLN A 92 4.783 -5.044 5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.227 -5.720 8.556 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.802 -6.838 7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.594 -5.639 7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.135 -7.143 8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.014 -5.534 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.008 -6.921 4.323 1.00 0.00 H new ATOM 1438 N ARG A 93 1.989 -4.247 7.227 1.00 0.00 N ATOM 1439 CA ARG A 93 0.559 -4.064 7.043 1.00 0.00 C ATOM 1440 C ARG A 93 0.288 -3.223 5.794 1.00 0.00 C ATOM 1441 O ARG A 93 -0.465 -3.637 4.914 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.070 -3.379 8.258 1.00 0.00 C ATOM 1443 CG ARG A 93 0.295 -4.112 9.550 1.00 0.00 C ATOM 1444 CD ARG A 93 -0.880 -4.112 10.531 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.572 -3.242 11.689 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.497 -2.743 12.520 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -2.793 -3.024 12.327 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.126 -1.963 13.545 1.00 0.00 N ATOM 0 H ARG A 93 2.335 -4.000 8.154 1.00 0.00 H new ATOM 0 HA ARG A 93 0.111 -5.051 6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.270 -2.345 8.314 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.154 -3.352 8.144 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.583 -5.138 9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.159 -3.634 10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.782 -3.760 10.031 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.080 -5.128 10.872 1.00 0.00 H new ATOM 0 HE ARG A 93 0.405 -3.008 11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.075 -3.618 11.547 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.497 -2.644 12.960 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.140 -1.749 13.692 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.830 -1.583 14.178 1.00 0.00 H new ATOM 1462 N TRP A 94 0.917 -2.057 5.757 1.00 0.00 N ATOM 1463 CA TRP A 94 0.753 -1.154 4.631 1.00 0.00 C ATOM 1464 C TRP A 94 1.221 -1.881 3.369 1.00 0.00 C ATOM 1465 O TRP A 94 0.502 -1.928 2.372 1.00 0.00 O ATOM 1466 CB TRP A 94 1.494 0.163 4.872 1.00 0.00 C ATOM 1467 CG TRP A 94 0.726 1.158 5.744 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.952 1.478 7.026 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.407 1.957 5.344 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.051 2.419 7.479 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.802 2.720 6.423 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.077 2.032 4.110 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.879 3.613 6.378 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.152 2.929 4.081 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.562 3.704 5.159 1.00 0.00 C ATOM 0 H TRP A 94 1.541 -1.717 6.489 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.295 -0.880 4.506 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.453 -0.052 5.343 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.709 0.629 3.910 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.741 1.052 7.629 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.017 2.820 8.416 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.786 1.444 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.168 4.200 7.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.701 3.025 3.156 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.403 4.373 5.057 1.00 0.00 H new ATOM 1486 N ILE A 95 2.424 -2.431 3.454 1.00 0.00 N ATOM 1487 CA ILE A 95 2.997 -3.154 2.331 1.00 0.00 C ATOM 1488 C ILE A 95 1.956 -4.126 1.771 1.00 0.00 C ATOM 1489 O ILE A 95 1.470 -3.946 0.656 1.00 0.00 O ATOM 1490 CB ILE A 95 4.309 -3.826 2.740 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.430 -2.795 2.889 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.682 -4.941 1.761 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.772 -3.480 3.154 1.00 0.00 C ATOM 0 H ILE A 95 3.017 -2.390 4.283 1.00 0.00 H new ATOM 0 HA ILE A 95 3.256 -2.466 1.527 1.00 0.00 H new ATOM 0 HB ILE A 95 4.166 -4.289 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.498 -2.192 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.197 -2.115 3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.618 -5.402 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.893 -5.693 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.800 -4.523 0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.552 -2.725 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.708 -4.062 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.014 -4.141 2.322 1.00 0.00 H new ATOM 1505 N ASP A 96 1.645 -5.135 2.572 1.00 0.00 N ATOM 1506 CA ASP A 96 0.671 -6.135 2.170 1.00 0.00 C ATOM 1507 C ASP A 96 -0.622 -5.439 1.740 1.00 0.00 C ATOM 1508 O ASP A 96 -1.213 -5.794 0.722 1.00 0.00 O ATOM 1509 CB ASP A 96 0.337 -7.076 3.330 1.00 0.00 C ATOM 1510 CG ASP A 96 0.349 -8.565 2.979 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.437 -8.862 1.768 1.00 0.00 O ATOM 1512 OD2 ASP A 96 0.270 -9.373 3.930 1.00 0.00 O ATOM 0 H ASP A 96 2.050 -5.281 3.497 1.00 0.00 H new ATOM 0 HA ASP A 96 1.099 -6.711 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.050 -6.902 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.649 -6.817 3.716 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.022 -4.460 2.538 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.234 -3.710 2.252 1.00 0.00 C ATOM 1519 C ALA A 97 -2.130 -3.094 0.855 1.00 0.00 C ATOM 1520 O ALA A 97 -3.138 -2.919 0.173 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.451 -2.657 3.340 1.00 0.00 C ATOM 0 H ALA A 97 -0.529 -4.169 3.382 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.103 -4.368 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.360 -2.094 3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.548 -3.149 4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.600 -1.976 3.363 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.901 -2.781 0.472 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.652 -2.188 -0.831 1.00 0.00 C ATOM 1529 C PHE A 98 -0.477 -3.268 -1.901 1.00 0.00 C ATOM 1530 O PHE A 98 -0.754 -3.032 -3.076 1.00 0.00 O ATOM 1531 CB PHE A 98 0.646 -1.386 -0.717 1.00 0.00 C ATOM 1532 CG PHE A 98 0.435 0.123 -0.573 1.00 0.00 C ATOM 1533 CD1 PHE A 98 0.179 0.881 -1.673 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.503 0.705 0.654 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.017 2.281 -1.540 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.307 2.106 0.786 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.051 2.864 -0.313 1.00 0.00 C ATOM 0 H PHE A 98 -0.067 -2.927 1.041 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.495 -1.560 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.210 -1.747 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.256 -1.574 -1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.125 0.418 -2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.706 0.103 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.220 2.883 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.361 2.569 1.760 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.098 3.929 -0.212 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.020 -4.428 -1.456 1.00 0.00 N ATOM 1548 CA GLN A 99 0.195 -5.545 -2.360 1.00 0.00 C ATOM 1549 C GLN A 99 -1.137 -6.215 -2.702 1.00 0.00 C ATOM 1550 O GLN A 99 -1.468 -6.385 -3.875 1.00 0.00 O ATOM 1551 CB GLN A 99 1.178 -6.554 -1.763 1.00 0.00 C ATOM 1552 CG GLN A 99 2.609 -6.262 -2.221 1.00 0.00 C ATOM 1553 CD GLN A 99 2.850 -6.792 -3.636 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.275 -7.780 -4.063 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.730 -6.083 -4.337 1.00 0.00 N ATOM 0 H GLN A 99 0.208 -4.619 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 99 0.634 -5.161 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.126 -6.518 -0.675 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.895 -7.563 -2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.791 -5.188 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.317 -6.722 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.175 -5.266 -3.919 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.960 -6.356 -5.293 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.867 -6.576 -1.657 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.156 -7.223 -1.832 1.00 0.00 C ATOM 1566 C GLU A 100 -4.079 -6.348 -2.682 1.00 0.00 C ATOM 1567 O GLU A 100 -4.914 -6.859 -3.426 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.797 -7.543 -0.480 1.00 0.00 C ATOM 1569 CG GLU A 100 -4.066 -9.043 -0.342 1.00 0.00 C ATOM 1570 CD GLU A 100 -5.443 -9.299 0.275 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -6.439 -9.046 -0.437 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -5.468 -9.741 1.443 1.00 0.00 O ATOM 0 H GLU A 100 -1.590 -6.433 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.998 -8.166 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.141 -7.212 0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.731 -6.991 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.008 -9.518 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.295 -9.499 0.279 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.896 -5.043 -2.544 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.701 -4.091 -3.291 1.00 0.00 C ATOM 1581 C GLY A 101 -4.408 -4.181 -4.790 1.00 0.00 C ATOM 1582 O GLY A 101 -5.326 -4.299 -5.599 1.00 0.00 O ATOM 0 H GLY A 101 -3.202 -4.622 -1.926 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.759 -4.284 -3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.497 -3.080 -2.937 1.00 0.00 H new ATOM 1586 N THR A 102 -3.125 -4.122 -5.114 1.00 0.00 N ATOM 1587 CA THR A 102 -2.699 -4.196 -6.501 1.00 0.00 C ATOM 1588 C THR A 102 -3.136 -5.523 -7.123 1.00 0.00 C ATOM 1589 O THR A 102 -3.557 -5.563 -8.278 1.00 0.00 O ATOM 1590 CB THR A 102 -1.186 -3.973 -6.543 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.665 -4.958 -5.655 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.771 -2.644 -5.910 1.00 0.00 C ATOM 0 H THR A 102 -2.366 -4.024 -4.440 1.00 0.00 H new ATOM 0 HA THR A 102 -3.173 -3.420 -7.103 1.00 0.00 H new ATOM 0 HB THR A 102 -0.844 -4.004 -7.577 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.392 -5.322 -5.107 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.312 -2.537 -5.967 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.246 -1.822 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.083 -2.625 -4.866 1.00 0.00 H new ATOM 1600 N VAL A 103 -3.021 -6.578 -6.330 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.398 -7.904 -6.788 1.00 0.00 C ATOM 1602 C VAL A 103 -4.889 -8.125 -6.524 1.00 0.00 C ATOM 1603 O VAL A 103 -5.626 -7.173 -6.271 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.511 -8.960 -6.125 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -1.034 -8.704 -6.431 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.758 -9.014 -4.616 1.00 0.00 C ATOM 0 H VAL A 103 -2.672 -6.541 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.240 -7.995 -7.863 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.776 -9.932 -6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.425 -9.468 -5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.874 -8.740 -7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.749 -7.722 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.115 -9.772 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.533 -8.043 -4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.802 -9.266 -4.427 1.00 0.00 H new