USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0.917 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -159:sc= 0.976 (180deg=-0.475) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 130:sc= -0.0589 USER MOD Single : A 85 THR OG1 : rot -71:sc= 1.12 USER MOD Single : A 92 THR OG1 : rot 72:sc= 0.165 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0689 F(o=-1,f=-0.069) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc=-0.00517 X(o=-0.0052,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.264 K(o=-0.26,f=-5.3!) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 112 LYS NZ :NH3+ -146:sc= 1.23 (180deg=1.1) USER MOD Single : A 117 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 118 THR OG1 : rot 15:sc= 0.749 USER MOD ----------------------------------------------------------------- ATOM 115 N VAL A 57 -6.945 7.611 -0.097 1.00 0.00 N ATOM 116 CA VAL A 57 -5.860 8.039 0.772 1.00 0.00 C ATOM 117 C VAL A 57 -4.941 9.001 0.040 1.00 0.00 C ATOM 118 O VAL A 57 -4.463 8.696 -1.051 1.00 0.00 O ATOM 119 CB VAL A 57 -5.016 6.843 1.255 1.00 0.00 C ATOM 120 CG1 VAL A 57 -4.012 7.271 2.313 1.00 0.00 C ATOM 121 CG2 VAL A 57 -5.904 5.722 1.757 1.00 0.00 C ATOM 0 HA VAL A 57 -6.317 8.529 1.632 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.452 6.464 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.431 6.406 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.342 8.023 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.541 7.691 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.285 4.890 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.509 6.082 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.557 5.387 0.951 1.00 0.00 H new ATOM 131 N LEU A 58 -4.691 10.152 0.639 1.00 0.00 N ATOM 132 CA LEU A 58 -3.779 11.119 0.058 1.00 0.00 C ATOM 133 C LEU A 58 -2.371 10.887 0.586 1.00 0.00 C ATOM 134 O LEU A 58 -2.096 11.106 1.767 1.00 0.00 O ATOM 135 CB LEU A 58 -4.235 12.542 0.386 1.00 0.00 C ATOM 136 CG LEU A 58 -3.377 13.664 -0.201 1.00 0.00 C ATOM 137 CD1 LEU A 58 -3.751 13.895 -1.650 1.00 0.00 C ATOM 138 CD2 LEU A 58 -3.542 14.941 0.608 1.00 0.00 C ATOM 0 H LEU A 58 -5.106 10.439 1.526 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.777 10.994 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.258 12.667 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.258 12.656 1.470 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.329 13.368 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.136 14.695 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.584 12.980 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.802 14.176 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.924 15.728 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.587 15.250 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.233 14.762 1.638 1.00 0.00 H new ATOM 150 N TYR A 59 -1.484 10.441 -0.286 1.00 0.00 N ATOM 151 CA TYR A 59 -0.095 10.259 0.079 1.00 0.00 C ATOM 152 C TYR A 59 0.717 11.384 -0.546 1.00 0.00 C ATOM 153 O TYR A 59 0.742 11.536 -1.771 1.00 0.00 O ATOM 154 CB TYR A 59 0.427 8.868 -0.351 1.00 0.00 C ATOM 155 CG TYR A 59 0.933 8.780 -1.777 1.00 0.00 C ATOM 156 CD1 TYR A 59 0.059 8.758 -2.858 1.00 0.00 C ATOM 157 CD2 TYR A 59 2.300 8.735 -2.036 1.00 0.00 C ATOM 158 CE1 TYR A 59 0.535 8.693 -4.156 1.00 0.00 C ATOM 159 CE2 TYR A 59 2.781 8.668 -3.329 1.00 0.00 C ATOM 160 CZ TYR A 59 1.897 8.649 -4.385 1.00 0.00 C ATOM 161 OH TYR A 59 2.381 8.579 -5.674 1.00 0.00 O ATOM 0 H TYR A 59 -1.704 10.199 -1.252 1.00 0.00 H new ATOM 0 HA TYR A 59 0.007 10.299 1.164 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.233 8.576 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.375 8.141 -0.222 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.006 8.792 -2.682 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.997 8.753 -1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.155 8.677 -4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.845 8.631 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 59 3.361 8.557 -5.655 1.00 0.00 H new ATOM 171 N GLU A 60 1.332 12.195 0.310 1.00 0.00 N ATOM 172 CA GLU A 60 2.130 13.350 -0.111 1.00 0.00 C ATOM 173 C GLU A 60 1.277 14.415 -0.808 1.00 0.00 C ATOM 174 O GLU A 60 1.131 15.530 -0.310 1.00 0.00 O ATOM 175 CB GLU A 60 3.291 12.895 -0.994 1.00 0.00 C ATOM 176 CG GLU A 60 4.134 11.813 -0.336 1.00 0.00 C ATOM 177 CD GLU A 60 4.822 12.284 0.931 1.00 0.00 C ATOM 178 OE1 GLU A 60 4.169 12.299 1.998 1.00 0.00 O ATOM 179 OE2 GLU A 60 6.021 12.631 0.869 1.00 0.00 O ATOM 0 H GLU A 60 1.293 12.071 1.322 1.00 0.00 H new ATOM 0 HA GLU A 60 2.540 13.819 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.899 12.521 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.923 13.752 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.499 10.958 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.887 11.466 -1.044 1.00 0.00 H new ATOM 186 N GLY A 61 0.719 14.062 -1.952 1.00 0.00 N ATOM 187 CA GLY A 61 -0.139 14.974 -2.687 1.00 0.00 C ATOM 188 C GLY A 61 -1.002 14.293 -3.745 1.00 0.00 C ATOM 189 O GLY A 61 -1.660 14.972 -4.533 1.00 0.00 O ATOM 0 H GLY A 61 0.844 13.150 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.788 15.494 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.480 15.731 -3.169 1.00 0.00 H new ATOM 193 N LYS A 62 -0.994 12.960 -3.784 1.00 0.00 N ATOM 194 CA LYS A 62 -1.851 12.214 -4.705 1.00 0.00 C ATOM 195 C LYS A 62 -2.769 11.298 -3.913 1.00 0.00 C ATOM 196 O LYS A 62 -2.431 10.886 -2.808 1.00 0.00 O ATOM 197 CB LYS A 62 -1.019 11.381 -5.680 1.00 0.00 C ATOM 198 CG LYS A 62 -1.837 10.742 -6.795 1.00 0.00 C ATOM 199 CD LYS A 62 -0.975 9.906 -7.729 1.00 0.00 C ATOM 200 CE LYS A 62 -0.129 10.774 -8.647 1.00 0.00 C ATOM 201 NZ LYS A 62 0.771 9.962 -9.503 1.00 0.00 N ATOM 0 H LYS A 62 -0.405 12.376 -3.190 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.440 12.928 -5.280 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.252 12.016 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.503 10.597 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.614 10.114 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.340 11.521 -7.367 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.325 9.258 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.613 9.257 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.781 11.379 -9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.465 11.464 -8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.330 10.591 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.411 9.404 -8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.203 9.321 -10.094 1.00 0.00 H new ATOM 215 N GLU A 63 -3.915 10.977 -4.478 1.00 0.00 N ATOM 216 CA GLU A 63 -4.870 10.109 -3.810 1.00 0.00 C ATOM 217 C GLU A 63 -4.909 8.730 -4.453 1.00 0.00 C ATOM 218 O GLU A 63 -4.824 8.587 -5.674 1.00 0.00 O ATOM 219 CB GLU A 63 -6.271 10.722 -3.802 1.00 0.00 C ATOM 220 CG GLU A 63 -6.386 11.971 -2.946 1.00 0.00 C ATOM 221 CD GLU A 63 -7.821 12.387 -2.704 1.00 0.00 C ATOM 222 OE1 GLU A 63 -8.487 12.838 -3.657 1.00 0.00 O ATOM 223 OE2 GLU A 63 -8.286 12.290 -1.548 1.00 0.00 O ATOM 0 H GLU A 63 -4.210 11.303 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.535 10.001 -2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.557 10.966 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.981 9.978 -3.441 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.897 11.795 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.853 12.789 -3.431 1.00 0.00 H new ATOM 230 N PHE A 64 -5.014 7.725 -3.605 1.00 0.00 N ATOM 231 CA PHE A 64 -5.114 6.337 -4.025 1.00 0.00 C ATOM 232 C PHE A 64 -6.186 5.651 -3.200 1.00 0.00 C ATOM 233 O PHE A 64 -6.719 6.262 -2.287 1.00 0.00 O ATOM 234 CB PHE A 64 -3.774 5.632 -3.845 1.00 0.00 C ATOM 235 CG PHE A 64 -3.150 5.212 -5.143 1.00 0.00 C ATOM 236 CD1 PHE A 64 -3.574 4.069 -5.796 1.00 0.00 C ATOM 237 CD2 PHE A 64 -2.138 5.968 -5.715 1.00 0.00 C ATOM 238 CE1 PHE A 64 -3.005 3.686 -6.996 1.00 0.00 C ATOM 239 CE2 PHE A 64 -1.564 5.590 -6.912 1.00 0.00 C ATOM 240 CZ PHE A 64 -1.999 4.448 -7.555 1.00 0.00 C ATOM 0 H PHE A 64 -5.033 7.849 -2.593 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.381 6.292 -5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.089 6.296 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.914 4.753 -3.215 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.360 3.468 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.795 6.863 -5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.347 2.792 -7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.775 6.187 -7.345 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.553 4.152 -8.493 1.00 0.00 H new ATOM 250 N ASP A 65 -6.512 4.401 -3.507 1.00 0.00 N ATOM 251 CA ASP A 65 -7.557 3.701 -2.753 1.00 0.00 C ATOM 252 C ASP A 65 -7.145 3.593 -1.297 1.00 0.00 C ATOM 253 O ASP A 65 -7.753 4.194 -0.417 1.00 0.00 O ATOM 254 CB ASP A 65 -7.815 2.289 -3.301 1.00 0.00 C ATOM 255 CG ASP A 65 -8.818 2.244 -4.432 1.00 0.00 C ATOM 256 OD1 ASP A 65 -9.499 3.257 -4.673 1.00 0.00 O ATOM 257 OD2 ASP A 65 -8.938 1.182 -5.079 1.00 0.00 O ATOM 0 H ASP A 65 -6.082 3.857 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.476 4.278 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.872 1.867 -3.648 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.169 1.654 -2.489 1.00 0.00 H new ATOM 262 N TYR A 66 -6.089 2.837 -1.061 1.00 0.00 N ATOM 263 CA TYR A 66 -5.563 2.647 0.277 1.00 0.00 C ATOM 264 C TYR A 66 -4.050 2.579 0.235 1.00 0.00 C ATOM 265 O TYR A 66 -3.486 1.685 -0.387 1.00 0.00 O ATOM 266 CB TYR A 66 -6.133 1.368 0.895 1.00 0.00 C ATOM 267 CG TYR A 66 -7.580 1.497 1.322 1.00 0.00 C ATOM 268 CD1 TYR A 66 -7.911 2.100 2.527 1.00 0.00 C ATOM 269 CD2 TYR A 66 -8.614 1.028 0.518 1.00 0.00 C ATOM 270 CE1 TYR A 66 -9.228 2.236 2.920 1.00 0.00 C ATOM 271 CE2 TYR A 66 -9.936 1.158 0.906 1.00 0.00 C ATOM 272 CZ TYR A 66 -10.236 1.765 2.109 1.00 0.00 C ATOM 273 OH TYR A 66 -11.548 1.908 2.504 1.00 0.00 O ATOM 0 H TYR A 66 -5.574 2.340 -1.788 1.00 0.00 H new ATOM 0 HA TYR A 66 -5.861 3.494 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.046 0.555 0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.530 1.092 1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.125 2.469 3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.381 0.555 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.466 2.710 3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.728 0.787 0.272 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.139 1.526 1.822 1.00 0.00 H new ATOM 283 N VAL A 67 -3.384 3.531 0.869 1.00 0.00 N ATOM 284 CA VAL A 67 -1.936 3.504 0.918 1.00 0.00 C ATOM 285 C VAL A 67 -1.475 3.063 2.298 1.00 0.00 C ATOM 286 O VAL A 67 -2.128 3.340 3.308 1.00 0.00 O ATOM 287 CB VAL A 67 -1.280 4.865 0.551 1.00 0.00 C ATOM 288 CG1 VAL A 67 -2.100 5.606 -0.493 1.00 0.00 C ATOM 289 CG2 VAL A 67 -1.045 5.734 1.777 1.00 0.00 C ATOM 0 H VAL A 67 -3.817 4.320 1.349 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.611 2.789 0.162 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.303 4.643 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.617 6.554 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.172 5.000 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.100 5.796 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.585 6.675 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.997 5.937 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.384 5.214 2.470 1.00 0.00 H new ATOM 299 N PHE A 68 -0.361 2.364 2.332 1.00 0.00 N ATOM 300 CA PHE A 68 0.208 1.890 3.577 1.00 0.00 C ATOM 301 C PHE A 68 1.280 2.860 4.053 1.00 0.00 C ATOM 302 O PHE A 68 1.893 3.561 3.252 1.00 0.00 O ATOM 303 CB PHE A 68 0.793 0.488 3.379 1.00 0.00 C ATOM 304 CG PHE A 68 1.401 -0.121 4.611 1.00 0.00 C ATOM 305 CD1 PHE A 68 0.738 -0.093 5.827 1.00 0.00 C ATOM 306 CD2 PHE A 68 2.645 -0.720 4.545 1.00 0.00 C ATOM 307 CE1 PHE A 68 1.310 -0.653 6.954 1.00 0.00 C ATOM 308 CE2 PHE A 68 3.222 -1.282 5.666 1.00 0.00 C ATOM 309 CZ PHE A 68 2.554 -1.249 6.872 1.00 0.00 C ATOM 0 H PHE A 68 0.174 2.109 1.502 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.571 1.835 4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.005 -0.171 3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.554 0.534 2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.235 0.371 5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.173 -0.749 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.785 -0.625 7.898 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.195 -1.747 5.599 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.002 -1.688 7.751 1.00 0.00 H new ATOM 319 N SER A 69 1.481 2.912 5.353 1.00 0.00 N ATOM 320 CA SER A 69 2.497 3.761 5.943 1.00 0.00 C ATOM 321 C SER A 69 3.696 2.900 6.319 1.00 0.00 C ATOM 322 O SER A 69 3.555 1.890 7.004 1.00 0.00 O ATOM 323 CB SER A 69 1.926 4.483 7.165 1.00 0.00 C ATOM 324 OG SER A 69 2.810 5.487 7.635 1.00 0.00 O ATOM 0 H SER A 69 0.946 2.368 6.030 1.00 0.00 H new ATOM 0 HA SER A 69 2.818 4.520 5.229 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.967 4.932 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.737 3.762 7.960 1.00 0.00 H new ATOM 0 HG SER A 69 2.416 5.931 8.415 1.00 0.00 H new ATOM 330 N ILE A 70 4.859 3.290 5.835 1.00 0.00 N ATOM 331 CA ILE A 70 6.061 2.489 5.947 1.00 0.00 C ATOM 332 C ILE A 70 7.209 3.318 6.512 1.00 0.00 C ATOM 333 O ILE A 70 7.634 4.299 5.907 1.00 0.00 O ATOM 334 CB ILE A 70 6.465 1.949 4.552 1.00 0.00 C ATOM 335 CG1 ILE A 70 5.301 1.175 3.924 1.00 0.00 C ATOM 336 CG2 ILE A 70 7.717 1.092 4.636 1.00 0.00 C ATOM 337 CD1 ILE A 70 5.617 0.540 2.588 1.00 0.00 C ATOM 0 H ILE A 70 4.997 4.177 5.350 1.00 0.00 H new ATOM 0 HA ILE A 70 5.856 1.658 6.622 1.00 0.00 H new ATOM 0 HB ILE A 70 6.696 2.798 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.984 0.395 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.456 1.853 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.976 0.727 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.540 1.688 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.534 0.245 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.737 0.014 2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.903 1.314 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 70 6.439 -0.166 2.706 1.00 0.00 H new ATOM 445 N TYR A 79 7.581 6.600 4.325 1.00 0.00 N ATOM 446 CA TYR A 79 7.360 5.979 3.036 1.00 0.00 C ATOM 447 C TYR A 79 5.913 5.540 2.966 1.00 0.00 C ATOM 448 O TYR A 79 5.372 5.066 3.949 1.00 0.00 O ATOM 449 CB TYR A 79 8.280 4.764 2.871 1.00 0.00 C ATOM 450 CG TYR A 79 9.752 5.106 2.821 1.00 0.00 C ATOM 451 CD1 TYR A 79 10.222 6.148 2.030 1.00 0.00 C ATOM 452 CD2 TYR A 79 10.673 4.380 3.563 1.00 0.00 C ATOM 453 CE1 TYR A 79 11.568 6.453 1.980 1.00 0.00 C ATOM 454 CE2 TYR A 79 12.022 4.678 3.517 1.00 0.00 C ATOM 455 CZ TYR A 79 12.463 5.713 2.726 1.00 0.00 C ATOM 456 OH TYR A 79 13.808 6.006 2.669 1.00 0.00 O ATOM 0 HA TYR A 79 7.580 6.688 2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.106 4.075 3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.009 4.238 1.955 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.524 6.728 1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.330 3.568 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.918 7.266 1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.726 4.101 4.099 1.00 0.00 H new ATOM 0 HH TYR A 79 14.301 5.393 3.253 1.00 0.00 H new ATOM 466 N LYS A 80 5.265 5.723 1.837 1.00 0.00 N ATOM 467 CA LYS A 80 3.861 5.360 1.731 1.00 0.00 C ATOM 468 C LYS A 80 3.650 4.480 0.510 1.00 0.00 C ATOM 469 O LYS A 80 4.232 4.724 -0.548 1.00 0.00 O ATOM 470 CB LYS A 80 2.969 6.607 1.663 1.00 0.00 C ATOM 471 CG LYS A 80 3.309 7.652 2.717 1.00 0.00 C ATOM 472 CD LYS A 80 3.112 7.125 4.132 1.00 0.00 C ATOM 473 CE LYS A 80 1.709 7.388 4.639 1.00 0.00 C ATOM 474 NZ LYS A 80 1.683 7.556 6.118 1.00 0.00 N ATOM 0 H LYS A 80 5.676 6.114 0.989 1.00 0.00 H new ATOM 0 HA LYS A 80 3.578 4.803 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.060 7.056 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.928 6.307 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.344 7.971 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.684 8.533 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.311 6.054 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.834 7.596 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.312 8.285 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.058 6.561 4.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.721 7.380 6.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.341 6.880 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.969 8.526 6.362 1.00 0.00 H new ATOM 488 N LEU A 81 2.819 3.464 0.665 1.00 0.00 N ATOM 489 CA LEU A 81 2.613 2.467 -0.373 1.00 0.00 C ATOM 490 C LEU A 81 1.196 2.587 -0.929 1.00 0.00 C ATOM 491 O LEU A 81 0.267 1.986 -0.393 1.00 0.00 O ATOM 492 CB LEU A 81 2.819 1.066 0.215 1.00 0.00 C ATOM 493 CG LEU A 81 3.318 -0.022 -0.746 1.00 0.00 C ATOM 494 CD1 LEU A 81 2.727 -1.363 -0.374 1.00 0.00 C ATOM 495 CD2 LEU A 81 3.003 0.310 -2.193 1.00 0.00 C ATOM 0 H LEU A 81 2.270 3.306 1.510 1.00 0.00 H new ATOM 0 HA LEU A 81 3.329 2.631 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.530 1.144 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.872 0.734 0.642 1.00 0.00 H new ATOM 0 HG LEU A 81 4.403 -0.070 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.090 -2.125 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.025 -1.623 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.640 -1.310 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.374 -0.487 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.924 0.406 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.484 1.250 -2.464 1.00 0.00 H new ATOM 507 N PRO A 82 1.009 3.382 -1.989 1.00 0.00 N ATOM 508 CA PRO A 82 -0.302 3.579 -2.619 1.00 0.00 C ATOM 509 C PRO A 82 -0.817 2.323 -3.310 1.00 0.00 C ATOM 510 O PRO A 82 -0.152 1.767 -4.182 1.00 0.00 O ATOM 511 CB PRO A 82 -0.037 4.672 -3.657 1.00 0.00 C ATOM 512 CG PRO A 82 1.239 5.298 -3.238 1.00 0.00 C ATOM 513 CD PRO A 82 2.045 4.177 -2.658 1.00 0.00 C ATOM 0 HA PRO A 82 -1.064 3.835 -1.883 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.040 4.253 -4.660 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.847 5.402 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.751 5.756 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.070 6.085 -2.503 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.566 3.607 -3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.801 4.535 -1.959 1.00 0.00 H new ATOM 521 N TYR A 83 -2.016 1.902 -2.936 1.00 0.00 N ATOM 522 CA TYR A 83 -2.616 0.708 -3.487 1.00 0.00 C ATOM 523 C TYR A 83 -3.993 1.026 -4.037 1.00 0.00 C ATOM 524 O TYR A 83 -4.785 1.713 -3.391 1.00 0.00 O ATOM 525 CB TYR A 83 -2.717 -0.388 -2.416 1.00 0.00 C ATOM 526 CG TYR A 83 -3.595 -1.554 -2.813 1.00 0.00 C ATOM 527 CD1 TYR A 83 -3.316 -2.305 -3.944 1.00 0.00 C ATOM 528 CD2 TYR A 83 -4.703 -1.901 -2.051 1.00 0.00 C ATOM 529 CE1 TYR A 83 -4.117 -3.373 -4.310 1.00 0.00 C ATOM 530 CE2 TYR A 83 -5.508 -2.964 -2.406 1.00 0.00 C ATOM 531 CZ TYR A 83 -5.211 -3.696 -3.536 1.00 0.00 C ATOM 532 OH TYR A 83 -6.017 -4.753 -3.891 1.00 0.00 O ATOM 0 H TYR A 83 -2.594 2.380 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 83 -1.984 0.344 -4.297 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.716 -0.759 -2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -3.106 0.051 -1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.459 -2.053 -4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.939 -1.329 -1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.887 -3.948 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.366 -3.221 -1.802 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.149 -5.338 -3.116 1.00 0.00 H new ATOM 542 N ASN A 84 -4.258 0.557 -5.242 1.00 0.00 N ATOM 543 CA ASN A 84 -5.587 0.628 -5.812 1.00 0.00 C ATOM 544 C ASN A 84 -6.164 -0.773 -5.819 1.00 0.00 C ATOM 545 O ASN A 84 -5.527 -1.705 -6.297 1.00 0.00 O ATOM 546 CB ASN A 84 -5.541 1.205 -7.225 1.00 0.00 C ATOM 547 CG ASN A 84 -6.880 1.739 -7.691 1.00 0.00 C ATOM 548 OD1 ASN A 84 -7.239 2.880 -7.393 1.00 0.00 O ATOM 549 ND2 ASN A 84 -7.606 0.944 -8.460 1.00 0.00 N ATOM 0 H ASN A 84 -3.563 0.120 -5.848 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.217 1.289 -5.217 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.804 2.007 -7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.204 0.432 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.499 1.269 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.272 0.006 -8.683 1.00 0.00 H new ATOM 556 N THR A 85 -7.368 -0.912 -5.304 1.00 0.00 N ATOM 557 CA THR A 85 -7.920 -2.218 -4.952 1.00 0.00 C ATOM 558 C THR A 85 -8.158 -3.111 -6.166 1.00 0.00 C ATOM 559 O THR A 85 -8.410 -4.309 -6.034 1.00 0.00 O ATOM 560 CB THR A 85 -9.227 -2.060 -4.156 1.00 0.00 C ATOM 561 OG1 THR A 85 -10.152 -1.239 -4.884 1.00 0.00 O ATOM 562 CG2 THR A 85 -8.948 -1.426 -2.806 1.00 0.00 C ATOM 0 H THR A 85 -7.995 -0.130 -5.115 1.00 0.00 H new ATOM 0 HA THR A 85 -7.170 -2.709 -4.332 1.00 0.00 H new ATOM 0 HB THR A 85 -9.660 -3.049 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.837 -0.311 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.882 -1.320 -2.254 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.262 -2.058 -2.242 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.499 -0.443 -2.951 1.00 0.00 H new ATOM 570 N SER A 86 -8.071 -2.524 -7.343 1.00 0.00 N ATOM 571 CA SER A 86 -8.250 -3.259 -8.582 1.00 0.00 C ATOM 572 C SER A 86 -6.945 -3.936 -9.027 1.00 0.00 C ATOM 573 O SER A 86 -6.938 -4.732 -9.969 1.00 0.00 O ATOM 574 CB SER A 86 -8.742 -2.302 -9.662 1.00 0.00 C ATOM 575 OG SER A 86 -9.790 -1.483 -9.168 1.00 0.00 O ATOM 0 H SER A 86 -7.876 -1.531 -7.469 1.00 0.00 H new ATOM 0 HA SER A 86 -8.987 -4.045 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.917 -1.678 -10.005 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.093 -2.869 -10.525 1.00 0.00 H new ATOM 0 HG SER A 86 -10.091 -0.875 -9.875 1.00 0.00 H new ATOM 581 N ASP A 87 -5.848 -3.620 -8.341 1.00 0.00 N ATOM 582 CA ASP A 87 -4.525 -4.104 -8.733 1.00 0.00 C ATOM 583 C ASP A 87 -4.091 -5.319 -7.924 1.00 0.00 C ATOM 584 O ASP A 87 -4.790 -5.774 -7.015 1.00 0.00 O ATOM 585 CB ASP A 87 -3.475 -3.003 -8.563 1.00 0.00 C ATOM 586 CG ASP A 87 -3.566 -1.927 -9.621 1.00 0.00 C ATOM 587 OD1 ASP A 87 -3.211 -2.205 -10.786 1.00 0.00 O ATOM 588 OD2 ASP A 87 -3.965 -0.793 -9.288 1.00 0.00 O ATOM 0 H ASP A 87 -5.849 -3.030 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.601 -4.394 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.591 -2.548 -7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.481 -3.450 -8.592 1.00 0.00 H new ATOM 593 N ASP A 88 -2.916 -5.833 -8.276 1.00 0.00 N ATOM 594 CA ASP A 88 -2.315 -6.969 -7.592 1.00 0.00 C ATOM 595 C ASP A 88 -1.281 -6.467 -6.600 1.00 0.00 C ATOM 596 O ASP A 88 -0.484 -5.586 -6.916 1.00 0.00 O ATOM 597 CB ASP A 88 -1.638 -7.906 -8.594 1.00 0.00 C ATOM 598 CG ASP A 88 -2.603 -8.455 -9.620 1.00 0.00 C ATOM 599 OD1 ASP A 88 -3.311 -9.435 -9.311 1.00 0.00 O ATOM 600 OD2 ASP A 88 -2.668 -7.910 -10.738 1.00 0.00 O ATOM 0 H ASP A 88 -2.354 -5.471 -9.046 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.099 -7.519 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.838 -7.370 -9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.175 -8.734 -8.056 1.00 0.00 H new ATOM 605 N PRO A 89 -1.264 -7.051 -5.391 1.00 0.00 N ATOM 606 CA PRO A 89 -0.454 -6.562 -4.278 1.00 0.00 C ATOM 607 C PRO A 89 1.019 -6.658 -4.552 1.00 0.00 C ATOM 608 O PRO A 89 1.777 -5.777 -4.178 1.00 0.00 O ATOM 609 CB PRO A 89 -0.832 -7.472 -3.108 1.00 0.00 C ATOM 610 CG PRO A 89 -2.104 -8.119 -3.520 1.00 0.00 C ATOM 611 CD PRO A 89 -2.018 -8.252 -5.012 1.00 0.00 C ATOM 0 HA PRO A 89 -0.645 -5.506 -4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.056 -8.213 -2.918 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.959 -6.901 -2.189 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.221 -9.093 -3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.964 -7.516 -3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.504 -9.166 -5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.004 -8.276 -5.476 1.00 0.00 H new ATOM 619 N TRP A 90 1.428 -7.728 -5.204 1.00 0.00 N ATOM 620 CA TRP A 90 2.826 -7.892 -5.543 1.00 0.00 C ATOM 621 C TRP A 90 3.244 -6.850 -6.565 1.00 0.00 C ATOM 622 O TRP A 90 4.356 -6.355 -6.520 1.00 0.00 O ATOM 623 CB TRP A 90 3.115 -9.291 -6.073 1.00 0.00 C ATOM 624 CG TRP A 90 2.996 -10.361 -5.038 1.00 0.00 C ATOM 625 CD1 TRP A 90 3.958 -10.747 -4.151 1.00 0.00 C ATOM 626 CD2 TRP A 90 1.859 -11.191 -4.791 1.00 0.00 C ATOM 627 NE1 TRP A 90 3.487 -11.769 -3.365 1.00 0.00 N ATOM 628 CE2 TRP A 90 2.201 -12.059 -3.737 1.00 0.00 C ATOM 629 CE3 TRP A 90 0.584 -11.287 -5.359 1.00 0.00 C ATOM 630 CZ2 TRP A 90 1.315 -13.007 -3.240 1.00 0.00 C ATOM 631 CZ3 TRP A 90 -0.294 -12.229 -4.862 1.00 0.00 C ATOM 632 CH2 TRP A 90 0.075 -13.079 -3.813 1.00 0.00 C ATOM 0 H TRP A 90 0.820 -8.489 -5.507 1.00 0.00 H new ATOM 0 HA TRP A 90 3.406 -7.755 -4.631 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.427 -9.510 -6.890 1.00 0.00 H new ATOM 0 HB3 TRP A 90 4.122 -9.311 -6.490 1.00 0.00 H new ATOM 0 HD1 TRP A 90 4.944 -10.313 -4.078 1.00 0.00 H new ATOM 0 HE1 TRP A 90 4.010 -12.237 -2.624 1.00 0.00 H new ATOM 0 HE3 TRP A 90 0.292 -10.637 -6.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 1.595 -13.664 -2.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -1.282 -12.312 -5.290 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -0.634 -13.807 -3.448 1.00 0.00 H new ATOM 643 N LEU A 91 2.341 -6.509 -7.472 1.00 0.00 N ATOM 644 CA LEU A 91 2.632 -5.500 -8.481 1.00 0.00 C ATOM 645 C LEU A 91 2.684 -4.112 -7.851 1.00 0.00 C ATOM 646 O LEU A 91 3.592 -3.333 -8.125 1.00 0.00 O ATOM 647 CB LEU A 91 1.579 -5.526 -9.587 1.00 0.00 C ATOM 648 CG LEU A 91 1.480 -6.834 -10.373 1.00 0.00 C ATOM 649 CD1 LEU A 91 0.430 -6.724 -11.470 1.00 0.00 C ATOM 650 CD2 LEU A 91 2.831 -7.194 -10.967 1.00 0.00 C ATOM 0 H LEU A 91 1.406 -6.913 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 91 3.605 -5.728 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.606 -5.315 -9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.792 -4.718 -10.286 1.00 0.00 H new ATOM 0 HG LEU A 91 1.177 -7.626 -9.688 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.376 -7.665 -12.017 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.541 -6.507 -11.024 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.702 -5.921 -12.155 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.747 -8.127 -11.524 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.157 -6.399 -11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.560 -7.314 -10.166 1.00 0.00 H new ATOM 662 N THR A 92 1.709 -3.815 -7.001 1.00 0.00 N ATOM 663 CA THR A 92 1.677 -2.553 -6.275 1.00 0.00 C ATOM 664 C THR A 92 2.916 -2.406 -5.392 1.00 0.00 C ATOM 665 O THR A 92 3.590 -1.373 -5.404 1.00 0.00 O ATOM 666 CB THR A 92 0.414 -2.468 -5.400 1.00 0.00 C ATOM 667 OG1 THR A 92 -0.758 -2.550 -6.224 1.00 0.00 O ATOM 668 CG2 THR A 92 0.386 -1.179 -4.594 1.00 0.00 C ATOM 0 H THR A 92 0.926 -4.436 -6.797 1.00 0.00 H new ATOM 0 HA THR A 92 1.664 -1.745 -7.007 1.00 0.00 H new ATOM 0 HB THR A 92 0.430 -3.305 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.859 -3.465 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.519 -1.149 -3.986 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.261 -1.137 -3.945 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.396 -0.326 -5.272 1.00 0.00 H new ATOM 676 N ALA A 93 3.209 -3.460 -4.644 1.00 0.00 N ATOM 677 CA ALA A 93 4.349 -3.490 -3.754 1.00 0.00 C ATOM 678 C ALA A 93 5.654 -3.400 -4.534 1.00 0.00 C ATOM 679 O ALA A 93 6.569 -2.680 -4.145 1.00 0.00 O ATOM 680 CB ALA A 93 4.300 -4.765 -2.938 1.00 0.00 C ATOM 0 H ALA A 93 2.658 -4.318 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 93 4.308 -2.628 -3.088 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.155 -4.798 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.378 -4.790 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 93 4.331 -5.626 -3.606 1.00 0.00 H new ATOM 686 N TYR A 94 5.723 -4.126 -5.646 1.00 0.00 N ATOM 687 CA TYR A 94 6.910 -4.143 -6.492 1.00 0.00 C ATOM 688 C TYR A 94 7.130 -2.761 -7.090 1.00 0.00 C ATOM 689 O TYR A 94 8.259 -2.281 -7.191 1.00 0.00 O ATOM 690 CB TYR A 94 6.731 -5.176 -7.606 1.00 0.00 C ATOM 691 CG TYR A 94 8.019 -5.626 -8.251 1.00 0.00 C ATOM 692 CD1 TYR A 94 8.639 -4.840 -9.198 1.00 0.00 C ATOM 693 CD2 TYR A 94 8.599 -6.843 -7.921 1.00 0.00 C ATOM 694 CE1 TYR A 94 9.812 -5.243 -9.808 1.00 0.00 C ATOM 695 CE2 TYR A 94 9.773 -7.257 -8.521 1.00 0.00 C ATOM 696 CZ TYR A 94 10.376 -6.453 -9.465 1.00 0.00 C ATOM 697 OH TYR A 94 11.546 -6.859 -10.069 1.00 0.00 O ATOM 0 H TYR A 94 4.962 -4.715 -5.984 1.00 0.00 H new ATOM 0 HA TYR A 94 7.780 -4.413 -5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.219 -6.048 -7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.082 -4.756 -8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.200 -3.891 -9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.126 -7.476 -7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.284 -4.614 -10.549 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.216 -8.205 -8.252 1.00 0.00 H new ATOM 0 HH TYR A 94 11.811 -7.734 -9.715 1.00 0.00 H new ATOM 707 N ASN A 95 6.026 -2.129 -7.474 1.00 0.00 N ATOM 708 CA ASN A 95 6.052 -0.794 -8.065 1.00 0.00 C ATOM 709 C ASN A 95 6.686 0.213 -7.105 1.00 0.00 C ATOM 710 O ASN A 95 7.574 0.975 -7.488 1.00 0.00 O ATOM 711 CB ASN A 95 4.621 -0.356 -8.410 1.00 0.00 C ATOM 712 CG ASN A 95 4.563 0.955 -9.174 1.00 0.00 C ATOM 713 OD1 ASN A 95 5.449 1.268 -9.971 1.00 0.00 O ATOM 714 ND2 ASN A 95 3.515 1.732 -8.935 1.00 0.00 N ATOM 0 H ASN A 95 5.090 -2.525 -7.385 1.00 0.00 H new ATOM 0 HA ASN A 95 6.653 -0.827 -8.973 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.143 -1.136 -9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.046 -0.258 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.421 2.625 -9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.803 1.436 -8.267 1.00 0.00 H new ATOM 721 N PHE A 96 6.246 0.187 -5.848 1.00 0.00 N ATOM 722 CA PHE A 96 6.794 1.069 -4.820 1.00 0.00 C ATOM 723 C PHE A 96 8.216 0.654 -4.458 1.00 0.00 C ATOM 724 O PHE A 96 9.084 1.504 -4.248 1.00 0.00 O ATOM 725 CB PHE A 96 5.895 1.060 -3.581 1.00 0.00 C ATOM 726 CG PHE A 96 6.462 1.811 -2.408 1.00 0.00 C ATOM 727 CD1 PHE A 96 6.717 3.171 -2.498 1.00 0.00 C ATOM 728 CD2 PHE A 96 6.749 1.156 -1.217 1.00 0.00 C ATOM 729 CE1 PHE A 96 7.242 3.865 -1.425 1.00 0.00 C ATOM 730 CE2 PHE A 96 7.275 1.847 -0.143 1.00 0.00 C ATOM 731 CZ PHE A 96 7.520 3.202 -0.246 1.00 0.00 C ATOM 0 H PHE A 96 5.510 -0.437 -5.517 1.00 0.00 H new ATOM 0 HA PHE A 96 6.828 2.084 -5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.929 1.491 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.713 0.027 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.503 3.694 -3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.559 0.096 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.435 4.924 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.495 1.327 0.778 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.929 3.743 0.595 1.00 0.00 H new ATOM 741 N LEU A 97 8.449 -0.651 -4.396 1.00 0.00 N ATOM 742 CA LEU A 97 9.769 -1.182 -4.084 1.00 0.00 C ATOM 743 C LEU A 97 10.801 -0.688 -5.092 1.00 0.00 C ATOM 744 O LEU A 97 11.868 -0.231 -4.713 1.00 0.00 O ATOM 745 CB LEU A 97 9.737 -2.708 -4.070 1.00 0.00 C ATOM 746 CG LEU A 97 10.372 -3.352 -2.843 1.00 0.00 C ATOM 747 CD1 LEU A 97 9.570 -3.002 -1.603 1.00 0.00 C ATOM 748 CD2 LEU A 97 10.449 -4.856 -3.009 1.00 0.00 C ATOM 0 H LEU A 97 7.737 -1.363 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 97 10.055 -0.826 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.700 -3.036 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.247 -3.076 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 97 11.386 -2.967 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.029 -3.465 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.554 -1.920 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.550 -3.369 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.905 -5.297 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.445 -5.260 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.052 -5.095 -3.885 1.00 0.00 H new ATOM 760 N GLN A 98 10.466 -0.758 -6.374 1.00 0.00 N ATOM 761 CA GLN A 98 11.345 -0.249 -7.422 1.00 0.00 C ATOM 762 C GLN A 98 11.424 1.271 -7.373 1.00 0.00 C ATOM 763 O GLN A 98 12.485 1.856 -7.575 1.00 0.00 O ATOM 764 CB GLN A 98 10.854 -0.686 -8.799 1.00 0.00 C ATOM 765 CG GLN A 98 10.933 -2.181 -9.026 1.00 0.00 C ATOM 766 CD GLN A 98 12.354 -2.712 -9.030 1.00 0.00 C ATOM 767 OE1 GLN A 98 13.297 -1.907 -9.494 1.00 0.00 O flip ATOM 768 NE2 GLN A 98 12.598 -3.850 -8.633 1.00 0.00 N flip ATOM 0 H GLN A 98 9.593 -1.162 -6.714 1.00 0.00 H new ATOM 0 HA GLN A 98 12.339 -0.662 -7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.821 -0.362 -8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.444 -0.180 -9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 98 10.364 -2.690 -8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 98 10.459 -2.423 -9.977 1.00 0.00 H new ATOM 0 HE21 GLN A 98 11.844 -4.440 -8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.555 -4.203 -8.654 1.00 0.00 H new ATOM 777 N LYS A 99 10.286 1.893 -7.096 1.00 0.00 N ATOM 778 CA LYS A 99 10.172 3.345 -7.083 1.00 0.00 C ATOM 779 C LYS A 99 11.090 3.962 -6.034 1.00 0.00 C ATOM 780 O LYS A 99 11.765 4.958 -6.297 1.00 0.00 O ATOM 781 CB LYS A 99 8.709 3.729 -6.819 1.00 0.00 C ATOM 782 CG LYS A 99 8.412 5.222 -6.843 1.00 0.00 C ATOM 783 CD LYS A 99 8.743 5.884 -5.515 1.00 0.00 C ATOM 784 CE LYS A 99 8.265 7.327 -5.484 1.00 0.00 C ATOM 785 NZ LYS A 99 8.568 7.992 -4.190 1.00 0.00 N ATOM 0 H LYS A 99 9.417 1.406 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 99 10.482 3.735 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.082 3.239 -7.564 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.417 3.333 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.988 5.695 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.359 5.380 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.277 5.327 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.820 5.851 -5.348 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.737 7.882 -6.295 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.190 7.356 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.224 8.973 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.097 7.479 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.596 7.989 -4.031 1.00 0.00 H new ATOM 799 N ASN A 100 11.118 3.375 -4.849 1.00 0.00 N ATOM 800 CA ASN A 100 11.935 3.912 -3.776 1.00 0.00 C ATOM 801 C ASN A 100 13.266 3.167 -3.696 1.00 0.00 C ATOM 802 O ASN A 100 14.150 3.521 -2.914 1.00 0.00 O ATOM 803 CB ASN A 100 11.210 3.822 -2.433 1.00 0.00 C ATOM 804 CG ASN A 100 11.572 4.970 -1.509 1.00 0.00 C ATOM 805 OD1 ASN A 100 10.890 5.992 -1.479 1.00 0.00 O ATOM 806 ND2 ASN A 100 12.658 4.822 -0.768 1.00 0.00 N ATOM 0 H ASN A 100 10.590 2.536 -4.608 1.00 0.00 H new ATOM 0 HA ASN A 100 12.125 4.963 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.133 3.820 -2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.459 2.877 -1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.955 5.572 -0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.198 3.958 -0.821 1.00 0.00 H new ATOM 813 N ASP A 101 13.377 2.120 -4.516 1.00 0.00 N ATOM 814 CA ASP A 101 14.550 1.239 -4.546 1.00 0.00 C ATOM 815 C ASP A 101 14.730 0.500 -3.226 1.00 0.00 C ATOM 816 O ASP A 101 15.827 0.460 -2.667 1.00 0.00 O ATOM 817 CB ASP A 101 15.828 1.998 -4.908 1.00 0.00 C ATOM 818 CG ASP A 101 16.058 2.064 -6.403 1.00 0.00 C ATOM 819 OD1 ASP A 101 16.485 1.044 -6.986 1.00 0.00 O ATOM 820 OD2 ASP A 101 15.827 3.137 -7.000 1.00 0.00 O ATOM 0 H ASP A 101 12.652 1.856 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 101 14.365 0.503 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.772 3.010 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 101 16.681 1.514 -4.433 1.00 0.00 H new ATOM 825 N LEU A 102 13.647 -0.086 -2.736 1.00 0.00 N ATOM 826 CA LEU A 102 13.696 -0.904 -1.536 1.00 0.00 C ATOM 827 C LEU A 102 14.186 -2.299 -1.889 1.00 0.00 C ATOM 828 O LEU A 102 14.279 -2.657 -3.063 1.00 0.00 O ATOM 829 CB LEU A 102 12.318 -1.011 -0.868 1.00 0.00 C ATOM 830 CG LEU A 102 11.685 0.292 -0.369 1.00 0.00 C ATOM 831 CD1 LEU A 102 12.711 1.402 -0.227 1.00 0.00 C ATOM 832 CD2 LEU A 102 10.554 0.702 -1.288 1.00 0.00 C ATOM 0 H LEU A 102 12.720 -0.009 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 102 14.381 -0.427 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.631 -1.471 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.404 -1.692 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 102 11.279 0.112 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.220 2.308 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.477 1.100 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.173 1.596 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.109 1.629 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.941 0.854 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.796 -0.082 -1.305 1.00 0.00 H new ATOM 844 N ASN A 103 14.485 -3.084 -0.872 1.00 0.00 N ATOM 845 CA ASN A 103 14.952 -4.448 -1.068 1.00 0.00 C ATOM 846 C ASN A 103 13.777 -5.362 -1.404 1.00 0.00 C ATOM 847 O ASN A 103 12.706 -5.247 -0.812 1.00 0.00 O ATOM 848 CB ASN A 103 15.643 -4.945 0.202 1.00 0.00 C ATOM 849 CG ASN A 103 16.461 -6.197 -0.028 1.00 0.00 C ATOM 850 OD1 ASN A 103 15.958 -7.313 0.093 1.00 0.00 O ATOM 851 ND2 ASN A 103 17.730 -6.019 -0.352 1.00 0.00 N ATOM 0 H ASN A 103 14.413 -2.801 0.105 1.00 0.00 H new ATOM 0 HA ASN A 103 15.661 -4.463 -1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.291 -4.159 0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.891 -5.143 0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.333 -6.826 -0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 103 18.106 -5.075 -0.442 1.00 0.00 H new ATOM 858 N PRO A 104 13.974 -6.292 -2.360 1.00 0.00 N ATOM 859 CA PRO A 104 12.928 -7.226 -2.821 1.00 0.00 C ATOM 860 C PRO A 104 12.364 -8.086 -1.694 1.00 0.00 C ATOM 861 O PRO A 104 11.296 -8.681 -1.829 1.00 0.00 O ATOM 862 CB PRO A 104 13.651 -8.101 -3.851 1.00 0.00 C ATOM 863 CG PRO A 104 14.816 -7.282 -4.290 1.00 0.00 C ATOM 864 CD PRO A 104 15.240 -6.501 -3.081 1.00 0.00 C ATOM 0 HA PRO A 104 12.067 -6.693 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 104 13.973 -9.045 -3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 104 13.000 -8.345 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 104 15.626 -7.915 -4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 104 14.541 -6.617 -5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.962 -7.052 -2.478 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.709 -5.556 -3.355 1.00 0.00 H new ATOM 872 N MET A 105 13.078 -8.128 -0.574 1.00 0.00 N ATOM 873 CA MET A 105 12.629 -8.858 0.607 1.00 0.00 C ATOM 874 C MET A 105 11.412 -8.176 1.233 1.00 0.00 C ATOM 875 O MET A 105 10.656 -8.794 1.984 1.00 0.00 O ATOM 876 CB MET A 105 13.766 -8.943 1.627 1.00 0.00 C ATOM 877 CG MET A 105 13.401 -9.673 2.911 1.00 0.00 C ATOM 878 SD MET A 105 14.763 -9.720 4.090 1.00 0.00 S ATOM 879 CE MET A 105 13.992 -10.576 5.463 1.00 0.00 C ATOM 0 H MET A 105 13.977 -7.661 -0.459 1.00 0.00 H new ATOM 0 HA MET A 105 12.341 -9.865 0.305 1.00 0.00 H new ATOM 0 HB2 MET A 105 14.616 -9.446 1.166 1.00 0.00 H new ATOM 0 HB3 MET A 105 14.091 -7.933 1.877 1.00 0.00 H new ATOM 0 HG2 MET A 105 12.543 -9.184 3.372 1.00 0.00 H new ATOM 0 HG3 MET A 105 13.097 -10.692 2.672 1.00 0.00 H new ATOM 0 HE1 MET A 105 14.711 -10.683 6.275 1.00 0.00 H new ATOM 0 HE2 MET A 105 13.133 -10.004 5.812 1.00 0.00 H new ATOM 0 HE3 MET A 105 13.663 -11.563 5.138 1.00 0.00 H new ATOM 889 N PHE A 106 11.205 -6.907 0.899 1.00 0.00 N ATOM 890 CA PHE A 106 10.117 -6.143 1.481 1.00 0.00 C ATOM 891 C PHE A 106 8.834 -6.381 0.705 1.00 0.00 C ATOM 892 O PHE A 106 7.741 -6.144 1.213 1.00 0.00 O ATOM 893 CB PHE A 106 10.446 -4.649 1.499 1.00 0.00 C ATOM 894 CG PHE A 106 11.578 -4.284 2.418 1.00 0.00 C ATOM 895 CD1 PHE A 106 11.469 -4.489 3.784 1.00 0.00 C ATOM 896 CD2 PHE A 106 12.751 -3.738 1.917 1.00 0.00 C ATOM 897 CE1 PHE A 106 12.507 -4.157 4.634 1.00 0.00 C ATOM 898 CE2 PHE A 106 13.791 -3.404 2.764 1.00 0.00 C ATOM 899 CZ PHE A 106 13.670 -3.615 4.124 1.00 0.00 C ATOM 0 H PHE A 106 11.776 -6.390 0.230 1.00 0.00 H new ATOM 0 HA PHE A 106 9.980 -6.478 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 106 10.696 -4.330 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 106 9.556 -4.095 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 106 10.562 -4.913 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 106 12.852 -3.572 0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 106 12.408 -4.321 5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 106 14.699 -2.978 2.363 1.00 0.00 H new ATOM 0 HZ PHE A 106 14.483 -3.357 4.786 1.00 0.00 H new ATOM 909 N LEU A 107 8.987 -6.888 -0.515 1.00 0.00 N ATOM 910 CA LEU A 107 7.871 -7.073 -1.441 1.00 0.00 C ATOM 911 C LEU A 107 6.757 -7.916 -0.835 1.00 0.00 C ATOM 912 O LEU A 107 5.591 -7.529 -0.881 1.00 0.00 O ATOM 913 CB LEU A 107 8.383 -7.704 -2.741 1.00 0.00 C ATOM 914 CG LEU A 107 7.323 -8.115 -3.762 1.00 0.00 C ATOM 915 CD1 LEU A 107 6.464 -6.932 -4.132 1.00 0.00 C ATOM 916 CD2 LEU A 107 7.993 -8.668 -5.007 1.00 0.00 C ATOM 0 H LEU A 107 9.888 -7.183 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 107 7.444 -6.093 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.062 -6.998 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.970 -8.586 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 107 6.691 -8.885 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.714 -7.241 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.968 -6.549 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.088 -6.150 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.232 -8.959 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 107 8.636 -7.904 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.593 -9.538 -4.741 1.00 0.00 H new ATOM 928 N ASP A 108 7.109 -9.055 -0.256 1.00 0.00 N ATOM 929 CA ASP A 108 6.105 -9.939 0.323 1.00 0.00 C ATOM 930 C ASP A 108 5.423 -9.253 1.505 1.00 0.00 C ATOM 931 O ASP A 108 4.220 -9.386 1.699 1.00 0.00 O ATOM 932 CB ASP A 108 6.732 -11.263 0.769 1.00 0.00 C ATOM 933 CG ASP A 108 5.715 -12.389 0.869 1.00 0.00 C ATOM 934 OD1 ASP A 108 4.944 -12.431 1.850 1.00 0.00 O ATOM 935 OD2 ASP A 108 5.685 -13.245 -0.043 1.00 0.00 O ATOM 0 H ASP A 108 8.070 -9.387 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 108 5.359 -10.158 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.513 -11.546 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.212 -11.125 1.738 1.00 0.00 H new ATOM 940 N GLN A 109 6.200 -8.481 2.259 1.00 0.00 N ATOM 941 CA GLN A 109 5.694 -7.787 3.439 1.00 0.00 C ATOM 942 C GLN A 109 4.643 -6.744 3.064 1.00 0.00 C ATOM 943 O GLN A 109 3.540 -6.724 3.622 1.00 0.00 O ATOM 944 CB GLN A 109 6.861 -7.112 4.168 1.00 0.00 C ATOM 945 CG GLN A 109 6.444 -5.953 5.060 1.00 0.00 C ATOM 946 CD GLN A 109 7.626 -5.235 5.680 1.00 0.00 C ATOM 947 OE1 GLN A 109 8.677 -5.827 5.911 1.00 0.00 O ATOM 948 NE2 GLN A 109 7.461 -3.949 5.957 1.00 0.00 N ATOM 0 H GLN A 109 7.190 -8.320 2.072 1.00 0.00 H new ATOM 0 HA GLN A 109 5.219 -8.519 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 109 7.377 -7.857 4.774 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.577 -6.750 3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.859 -5.243 4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.795 -6.325 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.573 -3.493 5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.223 -3.416 6.377 1.00 0.00 H new ATOM 957 N VAL A 110 4.973 -5.896 2.098 1.00 0.00 N ATOM 958 CA VAL A 110 4.061 -4.854 1.664 1.00 0.00 C ATOM 959 C VAL A 110 2.868 -5.447 0.933 1.00 0.00 C ATOM 960 O VAL A 110 1.728 -5.046 1.164 1.00 0.00 O ATOM 961 CB VAL A 110 4.753 -3.802 0.769 1.00 0.00 C ATOM 962 CG1 VAL A 110 5.430 -2.756 1.621 1.00 0.00 C ATOM 963 CG2 VAL A 110 5.780 -4.440 -0.141 1.00 0.00 C ATOM 0 H VAL A 110 5.865 -5.912 1.603 1.00 0.00 H new ATOM 0 HA VAL A 110 3.716 -4.348 2.566 1.00 0.00 H new ATOM 0 HB VAL A 110 3.983 -3.337 0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.914 -2.021 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.688 -2.259 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.178 -3.232 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.248 -3.672 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.541 -4.936 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 110 5.292 -5.173 -0.784 1.00 0.00 H new ATOM 973 N ALA A 111 3.133 -6.426 0.076 1.00 0.00 N ATOM 974 CA ALA A 111 2.081 -7.070 -0.698 1.00 0.00 C ATOM 975 C ALA A 111 1.108 -7.819 0.207 1.00 0.00 C ATOM 976 O ALA A 111 -0.085 -7.837 -0.061 1.00 0.00 O ATOM 977 CB ALA A 111 2.671 -8.000 -1.747 1.00 0.00 C ATOM 0 H ALA A 111 4.069 -6.791 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 111 1.522 -6.289 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.865 -8.469 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 111 3.305 -7.428 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.266 -8.770 -1.257 1.00 0.00 H new ATOM 983 N LYS A 112 1.609 -8.441 1.271 1.00 0.00 N ATOM 984 CA LYS A 112 0.740 -9.118 2.229 1.00 0.00 C ATOM 985 C LYS A 112 -0.234 -8.145 2.875 1.00 0.00 C ATOM 986 O LYS A 112 -1.422 -8.447 2.999 1.00 0.00 O ATOM 987 CB LYS A 112 1.554 -9.832 3.308 1.00 0.00 C ATOM 988 CG LYS A 112 2.114 -11.166 2.856 1.00 0.00 C ATOM 989 CD LYS A 112 1.008 -12.146 2.509 1.00 0.00 C ATOM 990 CE LYS A 112 1.565 -13.534 2.242 1.00 0.00 C ATOM 991 NZ LYS A 112 2.557 -13.538 1.133 1.00 0.00 N ATOM 0 H LYS A 112 2.604 -8.490 1.491 1.00 0.00 H new ATOM 0 HA LYS A 112 0.170 -9.863 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.376 -9.187 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.924 -9.989 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.755 -11.017 1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.739 -11.585 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.289 -12.191 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.469 -11.793 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.035 -13.916 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.747 -14.211 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.486 -14.432 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.364 -12.743 0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.516 -13.442 1.524 1.00 0.00 H new ATOM 1005 N PHE A 113 0.264 -6.980 3.277 1.00 0.00 N ATOM 1006 CA PHE A 113 -0.597 -5.955 3.857 1.00 0.00 C ATOM 1007 C PHE A 113 -1.653 -5.536 2.841 1.00 0.00 C ATOM 1008 O PHE A 113 -2.835 -5.406 3.167 1.00 0.00 O ATOM 1009 CB PHE A 113 0.222 -4.745 4.302 1.00 0.00 C ATOM 1010 CG PHE A 113 -0.539 -3.842 5.230 1.00 0.00 C ATOM 1011 CD1 PHE A 113 -1.472 -2.949 4.735 1.00 0.00 C ATOM 1012 CD2 PHE A 113 -0.325 -3.896 6.595 1.00 0.00 C ATOM 1013 CE1 PHE A 113 -2.182 -2.124 5.586 1.00 0.00 C ATOM 1014 CE2 PHE A 113 -1.028 -3.074 7.453 1.00 0.00 C ATOM 1015 CZ PHE A 113 -1.960 -2.187 6.948 1.00 0.00 C ATOM 0 H PHE A 113 1.249 -6.723 3.213 1.00 0.00 H new ATOM 0 HA PHE A 113 -1.090 -6.370 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 113 1.130 -5.088 4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.533 -4.179 3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -1.648 -2.896 3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 113 0.400 -4.589 6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -2.909 -1.432 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.850 -3.124 8.517 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.513 -1.545 7.617 1.00 0.00 H new ATOM 1025 N ILE A 114 -1.209 -5.349 1.604 1.00 0.00 N ATOM 1026 CA ILE A 114 -2.097 -5.034 0.501 1.00 0.00 C ATOM 1027 C ILE A 114 -3.167 -6.109 0.331 1.00 0.00 C ATOM 1028 O ILE A 114 -4.353 -5.804 0.195 1.00 0.00 O ATOM 1029 CB ILE A 114 -1.306 -4.936 -0.803 1.00 0.00 C ATOM 1030 CG1 ILE A 114 -0.319 -3.778 -0.754 1.00 0.00 C ATOM 1031 CG2 ILE A 114 -2.244 -4.780 -1.978 1.00 0.00 C ATOM 1032 CD1 ILE A 114 0.789 -3.919 -1.768 1.00 0.00 C ATOM 0 H ILE A 114 -0.225 -5.412 1.342 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.574 -4.080 0.728 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.740 -5.859 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.852 -2.843 -0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.113 -3.715 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.665 -4.712 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -2.908 -5.643 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.836 -3.873 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.464 -3.067 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 114 1.342 -4.839 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.363 -3.953 -2.771 1.00 0.00 H new ATOM 1044 N ILE A 115 -2.732 -7.367 0.345 1.00 0.00 N ATOM 1045 CA ILE A 115 -3.628 -8.496 0.161 1.00 0.00 C ATOM 1046 C ILE A 115 -4.701 -8.509 1.236 1.00 0.00 C ATOM 1047 O ILE A 115 -5.888 -8.591 0.934 1.00 0.00 O ATOM 1048 CB ILE A 115 -2.878 -9.847 0.207 1.00 0.00 C ATOM 1049 CG1 ILE A 115 -2.134 -10.083 -1.099 1.00 0.00 C ATOM 1050 CG2 ILE A 115 -3.856 -10.986 0.467 1.00 0.00 C ATOM 1051 CD1 ILE A 115 -0.940 -10.993 -0.976 1.00 0.00 C ATOM 0 H ILE A 115 -1.755 -7.627 0.483 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.079 -8.376 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.154 -9.814 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.826 -10.507 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.805 -9.122 -1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -3.314 -11.931 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.357 -10.825 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.598 -11.018 -0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.468 -11.108 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.225 -10.562 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.262 -11.969 -0.612 1.00 0.00 H new ATOM 1063 N ASP A 116 -4.263 -8.401 2.485 1.00 0.00 N ATOM 1064 CA ASP A 116 -5.151 -8.526 3.635 1.00 0.00 C ATOM 1065 C ASP A 116 -6.257 -7.480 3.606 1.00 0.00 C ATOM 1066 O ASP A 116 -7.382 -7.752 4.023 1.00 0.00 O ATOM 1067 CB ASP A 116 -4.369 -8.434 4.943 1.00 0.00 C ATOM 1068 CG ASP A 116 -5.212 -8.837 6.135 1.00 0.00 C ATOM 1069 OD1 ASP A 116 -5.930 -9.858 6.036 1.00 0.00 O ATOM 1070 OD2 ASP A 116 -5.139 -8.154 7.180 1.00 0.00 O ATOM 0 H ASP A 116 -3.288 -8.225 2.728 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.617 -9.510 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.490 -9.076 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.010 -7.414 5.080 1.00 0.00 H new ATOM 1075 N ASN A 117 -5.937 -6.291 3.106 1.00 0.00 N ATOM 1076 CA ASN A 117 -6.921 -5.215 2.979 1.00 0.00 C ATOM 1077 C ASN A 117 -8.115 -5.658 2.127 1.00 0.00 C ATOM 1078 O ASN A 117 -9.226 -5.162 2.294 1.00 0.00 O ATOM 1079 CB ASN A 117 -6.268 -3.967 2.370 1.00 0.00 C ATOM 1080 CG ASN A 117 -7.234 -2.801 2.234 1.00 0.00 C ATOM 1081 OD1 ASN A 117 -7.421 -2.020 3.170 1.00 0.00 O ATOM 1082 ND2 ASN A 117 -7.837 -2.655 1.062 1.00 0.00 N ATOM 0 H ASN A 117 -5.002 -6.045 2.781 1.00 0.00 H new ATOM 0 HA ASN A 117 -7.288 -4.972 3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -5.426 -3.664 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -5.866 -4.216 1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -8.480 -1.877 0.912 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -7.658 -3.321 0.310 1.00 0.00 H new ATOM 1089 N THR A 118 -7.875 -6.595 1.217 1.00 0.00 N ATOM 1090 CA THR A 118 -8.934 -7.155 0.387 1.00 0.00 C ATOM 1091 C THR A 118 -9.198 -8.619 0.746 1.00 0.00 C ATOM 1092 O THR A 118 -10.005 -9.292 0.105 1.00 0.00 O ATOM 1093 CB THR A 118 -8.572 -7.058 -1.106 1.00 0.00 C ATOM 1094 OG1 THR A 118 -7.231 -7.523 -1.317 1.00 0.00 O ATOM 1095 CG2 THR A 118 -8.709 -5.628 -1.611 1.00 0.00 C ATOM 0 H THR A 118 -6.950 -6.985 1.035 1.00 0.00 H new ATOM 0 HA THR A 118 -9.836 -6.573 0.576 1.00 0.00 H new ATOM 0 HB THR A 118 -9.266 -7.686 -1.665 1.00 0.00 H new ATOM 0 HG1 THR A 118 -6.925 -8.010 -0.523 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.447 -5.589 -2.668 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.738 -5.293 -1.479 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.040 -4.977 -1.047 1.00 0.00 H new