USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 454 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 95 LYS NZ :NH3+ -178:sc= 1.29 (180deg=0.304) USER MOD Set 1.2: A 101 TYR OH : rot 12:sc= 0.901 USER MOD Set 2.1: A 76 LYS NZ :NH3+ 140:sc= 2.55 (180deg=-0.084) USER MOD Set 2.2: A 118 TYR OH : rot 130:sc= 1.07 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -150:sc= 0.829 (180deg=0.575) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= 1.1 (180deg=0.917) USER MOD Single : A 83 MET CE :methyl 155:sc= -0.08 (180deg=-0.73) USER MOD Single : A 87 SER OG : rot -29:sc= 0.148 USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0.843 (180deg=0.769) USER MOD Single : A 93 TYR OH : rot -179:sc= 0.0127 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.226 F(o=-1,f=-0.23) USER MOD Single : A 99 LYS NZ :NH3+ -160:sc=-0.00135 (180deg=-1.24!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -1.09 K(o=-1.1,f=-6!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -132:sc= 1.09 (180deg=-1.25!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.575 K(o=0.58,f=-0.073) USER MOD Single : A 125 TYR OH : rot -112:sc= 0.608 USER MOD Single : A 126 MET CE :methyl -179:sc= -0.743 (180deg=-0.749) USER MOD Single : A 127 THR OG1 : rot 101:sc= 0.816 USER MOD Single : A 128 TYR OH : rot -116:sc= 1.23 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 8.970 -5.671 0.909 1.00 0.00 N ATOM 152 CA GLU A 71 8.086 -4.514 0.997 1.00 0.00 C ATOM 153 C GLU A 71 6.655 -4.901 1.247 1.00 0.00 C ATOM 154 O GLU A 71 6.010 -4.314 2.070 1.00 0.00 O ATOM 155 CB GLU A 71 8.146 -3.627 -0.242 1.00 0.00 C ATOM 156 CG GLU A 71 9.506 -3.048 -0.568 1.00 0.00 C ATOM 157 CD GLU A 71 9.403 -2.001 -1.652 1.00 0.00 C ATOM 158 OE1 GLU A 71 8.891 -2.316 -2.761 1.00 0.00 O ATOM 159 OE2 GLU A 71 9.754 -0.833 -1.395 1.00 0.00 O ATOM 0 HA GLU A 71 8.457 -3.947 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.803 -4.207 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.443 -2.804 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.942 -2.607 0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.177 -3.845 -0.890 1.00 0.00 H new ATOM 166 N LYS A 72 6.190 -5.914 0.557 1.00 0.00 N ATOM 167 CA LYS A 72 4.801 -6.380 0.661 1.00 0.00 C ATOM 168 C LYS A 72 4.397 -6.751 2.089 1.00 0.00 C ATOM 169 O LYS A 72 3.284 -6.455 2.530 1.00 0.00 O ATOM 170 CB LYS A 72 4.566 -7.523 -0.317 1.00 0.00 C ATOM 171 CG LYS A 72 5.644 -8.599 -0.295 1.00 0.00 C ATOM 172 CD LYS A 72 5.503 -9.566 -1.479 1.00 0.00 C ATOM 173 CE LYS A 72 5.693 -8.832 -2.816 1.00 0.00 C ATOM 174 NZ LYS A 72 5.565 -9.702 -4.018 1.00 0.00 N ATOM 0 H LYS A 72 6.756 -6.451 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 72 4.152 -5.548 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.604 -7.984 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.497 -7.115 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.627 -8.130 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.583 -9.156 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.240 -10.364 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.520 -10.036 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.959 -8.029 -2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.678 -8.365 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.706 -9.132 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.282 -10.454 -3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.617 -10.129 -4.038 1.00 0.00 H new ATOM 188 N ALA A 73 5.318 -7.331 2.825 1.00 0.00 N ATOM 189 CA ALA A 73 5.057 -7.701 4.202 1.00 0.00 C ATOM 190 C ALA A 73 4.999 -6.455 5.099 1.00 0.00 C ATOM 191 O ALA A 73 4.416 -6.478 6.200 1.00 0.00 O ATOM 192 CB ALA A 73 6.103 -8.679 4.689 1.00 0.00 C ATOM 0 H ALA A 73 6.256 -7.558 2.495 1.00 0.00 H new ATOM 0 HA ALA A 73 4.084 -8.190 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.895 -8.948 5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.080 -9.575 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.089 -8.219 4.625 1.00 0.00 H new ATOM 198 N ALA A 74 5.631 -5.390 4.651 1.00 0.00 N ATOM 199 CA ALA A 74 5.593 -4.113 5.338 1.00 0.00 C ATOM 200 C ALA A 74 4.352 -3.329 4.906 1.00 0.00 C ATOM 201 O ALA A 74 3.720 -2.657 5.718 1.00 0.00 O ATOM 202 CB ALA A 74 6.862 -3.315 5.067 1.00 0.00 C ATOM 0 H ALA A 74 6.188 -5.384 3.797 1.00 0.00 H new ATOM 0 HA ALA A 74 5.538 -4.292 6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.811 -2.361 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.727 -3.877 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.957 -3.135 3.996 1.00 0.00 H new ATOM 208 N VAL A 75 4.006 -3.457 3.622 1.00 0.00 N ATOM 209 CA VAL A 75 2.843 -2.800 3.017 1.00 0.00 C ATOM 210 C VAL A 75 1.570 -3.125 3.775 1.00 0.00 C ATOM 211 O VAL A 75 0.778 -2.245 4.048 1.00 0.00 O ATOM 212 CB VAL A 75 2.680 -3.164 1.498 1.00 0.00 C ATOM 213 CG1 VAL A 75 1.370 -2.633 0.938 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.831 -2.591 0.686 1.00 0.00 C ATOM 0 H VAL A 75 4.534 -4.029 2.963 1.00 0.00 H new ATOM 0 HA VAL A 75 3.023 -1.727 3.083 1.00 0.00 H new ATOM 0 HB VAL A 75 2.681 -4.252 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.289 -2.902 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.536 -3.068 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.345 -1.548 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.701 -2.853 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.845 -1.506 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.773 -3.003 1.049 1.00 0.00 H new ATOM 224 N LYS A 76 1.404 -4.377 4.162 1.00 0.00 N ATOM 225 CA LYS A 76 0.227 -4.781 4.918 1.00 0.00 C ATOM 226 C LYS A 76 0.126 -4.117 6.290 1.00 0.00 C ATOM 227 O LYS A 76 -0.967 -3.955 6.831 1.00 0.00 O ATOM 228 CB LYS A 76 0.144 -6.270 5.041 1.00 0.00 C ATOM 229 CG LYS A 76 -0.148 -6.918 3.716 1.00 0.00 C ATOM 230 CD LYS A 76 -0.121 -8.419 3.782 1.00 0.00 C ATOM 231 CE LYS A 76 -1.183 -9.005 4.715 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.558 -8.574 4.361 1.00 0.00 N ATOM 0 H LYS A 76 2.064 -5.130 3.968 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.629 -4.428 4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.083 -6.656 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.635 -6.534 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.127 -6.592 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.583 -6.578 2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.266 -8.822 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.865 -8.743 4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.128 -10.093 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.965 -8.705 5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.212 -9.375 4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.852 -7.800 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.575 -8.244 3.375 1.00 0.00 H new ATOM 246 N LYS A 77 1.259 -3.702 6.832 1.00 0.00 N ATOM 247 CA LYS A 77 1.272 -3.024 8.119 1.00 0.00 C ATOM 248 C LYS A 77 0.906 -1.578 7.903 1.00 0.00 C ATOM 249 O LYS A 77 0.267 -0.945 8.740 1.00 0.00 O ATOM 250 CB LYS A 77 2.645 -3.113 8.784 1.00 0.00 C ATOM 251 CG LYS A 77 3.131 -4.529 8.998 1.00 0.00 C ATOM 252 CD LYS A 77 4.439 -4.556 9.772 1.00 0.00 C ATOM 253 CE LYS A 77 4.933 -5.981 10.002 1.00 0.00 C ATOM 254 NZ LYS A 77 5.342 -6.652 8.738 1.00 0.00 N ATOM 0 H LYS A 77 2.177 -3.821 6.404 1.00 0.00 H new ATOM 0 HA LYS A 77 0.552 -3.508 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.370 -2.579 8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.605 -2.603 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.374 -5.097 9.539 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.267 -5.018 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.196 -3.993 9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.303 -4.059 10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.778 -5.963 10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.145 -6.563 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.182 -7.676 8.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.780 -6.276 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.351 -6.473 8.561 1.00 0.00 H new ATOM 268 N MET A 78 1.291 -1.072 6.751 1.00 0.00 N ATOM 269 CA MET A 78 0.975 0.284 6.379 1.00 0.00 C ATOM 270 C MET A 78 -0.502 0.350 6.014 1.00 0.00 C ATOM 271 O MET A 78 -1.170 1.353 6.219 1.00 0.00 O ATOM 272 CB MET A 78 1.828 0.745 5.188 1.00 0.00 C ATOM 273 CG MET A 78 3.334 0.684 5.412 1.00 0.00 C ATOM 274 SD MET A 78 3.895 1.708 6.787 1.00 0.00 S ATOM 275 CE MET A 78 5.662 1.403 6.724 1.00 0.00 C ATOM 0 H MET A 78 1.828 -1.587 6.053 1.00 0.00 H new ATOM 0 HA MET A 78 1.191 0.946 7.218 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.579 0.130 4.323 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.554 1.770 4.940 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.625 -0.350 5.596 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.843 1.001 4.501 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.157 1.967 7.515 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.853 0.339 6.863 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.051 1.718 5.756 1.00 0.00 H new ATOM 285 N ALA A 79 -0.991 -0.758 5.491 1.00 0.00 N ATOM 286 CA ALA A 79 -2.367 -0.915 5.098 1.00 0.00 C ATOM 287 C ALA A 79 -3.298 -0.868 6.299 1.00 0.00 C ATOM 288 O ALA A 79 -4.355 -0.232 6.243 1.00 0.00 O ATOM 289 CB ALA A 79 -2.553 -2.204 4.313 1.00 0.00 C ATOM 0 H ALA A 79 -0.424 -1.590 5.326 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.629 -0.078 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.599 -2.306 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.930 -2.178 3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.263 -3.052 4.933 1.00 0.00 H new ATOM 295 N LYS A 80 -2.896 -1.523 7.398 1.00 0.00 N ATOM 296 CA LYS A 80 -3.702 -1.486 8.625 1.00 0.00 C ATOM 297 C LYS A 80 -3.705 -0.066 9.114 1.00 0.00 C ATOM 298 O LYS A 80 -4.698 0.429 9.628 1.00 0.00 O ATOM 299 CB LYS A 80 -3.157 -2.464 9.769 1.00 0.00 C ATOM 300 CG LYS A 80 -2.017 -1.932 10.726 1.00 0.00 C ATOM 301 CD LYS A 80 -2.548 -0.934 11.808 1.00 0.00 C ATOM 302 CE LYS A 80 -1.425 -0.194 12.551 1.00 0.00 C ATOM 303 NZ LYS A 80 -1.954 0.921 13.412 1.00 0.00 N ATOM 0 H LYS A 80 -2.039 -2.072 7.463 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.708 -1.837 8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.004 -2.755 10.390 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.790 -3.370 9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.541 -2.778 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.249 -1.439 10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.201 -0.204 11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.155 -1.480 12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.875 -0.901 13.172 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.718 0.212 11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.262 1.144 14.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.117 1.765 12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.850 0.626 13.850 1.00 0.00 H new ATOM 317 N ALA A 81 -2.566 0.576 8.925 1.00 0.00 N ATOM 318 CA ALA A 81 -2.333 1.886 9.406 1.00 0.00 C ATOM 319 C ALA A 81 -3.200 2.889 8.710 1.00 0.00 C ATOM 320 O ALA A 81 -3.799 3.675 9.339 1.00 0.00 O ATOM 321 CB ALA A 81 -0.866 2.234 9.320 1.00 0.00 C ATOM 0 H ALA A 81 -1.775 0.176 8.421 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.611 1.917 10.459 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.709 3.245 9.695 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.289 1.531 9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.539 2.177 8.282 1.00 0.00 H new ATOM 327 N ILE A 82 -3.306 2.819 7.407 1.00 0.00 N ATOM 328 CA ILE A 82 -4.169 3.762 6.705 1.00 0.00 C ATOM 329 C ILE A 82 -5.648 3.530 7.104 1.00 0.00 C ATOM 330 O ILE A 82 -6.451 4.480 7.220 1.00 0.00 O ATOM 331 CB ILE A 82 -4.041 3.647 5.172 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.598 3.878 4.734 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.969 4.666 4.492 1.00 0.00 C ATOM 334 CD1 ILE A 82 -2.382 3.682 3.254 1.00 0.00 C ATOM 0 H ILE A 82 -2.824 2.142 6.815 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.848 4.762 6.998 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.334 2.641 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.301 4.891 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.946 3.197 5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.874 4.579 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.001 4.469 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.692 5.674 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.335 3.862 3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.647 2.661 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.008 4.381 2.699 1.00 0.00 H new ATOM 346 N MET A 83 -5.983 2.266 7.337 1.00 0.00 N ATOM 347 CA MET A 83 -7.335 1.861 7.703 1.00 0.00 C ATOM 348 C MET A 83 -7.713 2.284 9.132 1.00 0.00 C ATOM 349 O MET A 83 -8.886 2.522 9.424 1.00 0.00 O ATOM 350 CB MET A 83 -7.527 0.345 7.505 1.00 0.00 C ATOM 351 CG MET A 83 -8.861 -0.183 8.020 1.00 0.00 C ATOM 352 SD MET A 83 -9.116 -1.952 7.716 1.00 0.00 S ATOM 353 CE MET A 83 -7.740 -2.666 8.623 1.00 0.00 C ATOM 0 H MET A 83 -5.323 1.491 7.277 1.00 0.00 H new ATOM 0 HA MET A 83 -8.014 2.387 7.032 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.442 0.114 6.443 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.719 -0.183 8.012 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.926 0.005 9.092 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.669 0.377 7.549 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.985 -3.689 8.910 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.851 -2.669 7.993 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.548 -2.074 9.518 1.00 0.00 H new ATOM 363 N ALA A 84 -6.751 2.361 10.005 1.00 0.00 N ATOM 364 CA ALA A 84 -7.013 2.781 11.365 1.00 0.00 C ATOM 365 C ALA A 84 -6.579 4.214 11.586 1.00 0.00 C ATOM 366 O ALA A 84 -7.403 5.107 11.843 1.00 0.00 O ATOM 367 CB ALA A 84 -6.337 1.841 12.358 1.00 0.00 C ATOM 0 H ALA A 84 -5.775 2.140 9.807 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.089 2.733 11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.546 2.174 13.375 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.721 0.830 12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.260 1.846 12.189 1.00 0.00 H new ATOM 373 N ASP A 85 -5.322 4.420 11.393 1.00 0.00 N ATOM 374 CA ASP A 85 -4.614 5.660 11.663 1.00 0.00 C ATOM 375 C ASP A 85 -4.724 6.586 10.424 1.00 0.00 C ATOM 376 O ASP A 85 -3.964 6.455 9.468 1.00 0.00 O ATOM 377 CB ASP A 85 -3.116 5.335 11.885 1.00 0.00 C ATOM 378 CG ASP A 85 -2.834 4.083 12.735 1.00 0.00 C ATOM 379 OD1 ASP A 85 -3.002 2.940 12.215 1.00 0.00 O ATOM 380 OD2 ASP A 85 -2.422 4.197 13.885 1.00 0.00 O ATOM 0 H ASP A 85 -4.709 3.695 11.021 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.041 6.146 12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.641 5.208 10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.642 6.193 12.362 1.00 0.00 H new ATOM 385 N PRO A 86 -5.642 7.567 10.418 1.00 0.00 N ATOM 386 CA PRO A 86 -5.898 8.375 9.215 1.00 0.00 C ATOM 387 C PRO A 86 -4.820 9.427 8.955 1.00 0.00 C ATOM 388 O PRO A 86 -4.705 9.942 7.861 1.00 0.00 O ATOM 389 CB PRO A 86 -7.239 9.042 9.526 1.00 0.00 C ATOM 390 CG PRO A 86 -7.285 9.145 11.019 1.00 0.00 C ATOM 391 CD PRO A 86 -6.473 7.993 11.566 1.00 0.00 C ATOM 0 HA PRO A 86 -5.901 7.764 8.312 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.308 10.025 9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.072 8.450 9.146 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.875 10.098 11.353 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.313 9.097 11.378 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.858 8.303 12.411 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.113 7.184 11.918 1.00 0.00 H new ATOM 399 N SER A 87 -4.021 9.707 9.953 1.00 0.00 N ATOM 400 CA SER A 87 -2.995 10.717 9.826 1.00 0.00 C ATOM 401 C SER A 87 -1.717 10.100 9.265 1.00 0.00 C ATOM 402 O SER A 87 -0.800 10.791 8.929 1.00 0.00 O ATOM 403 CB SER A 87 -2.734 11.372 11.195 1.00 0.00 C ATOM 404 OG SER A 87 -1.807 12.434 11.109 1.00 0.00 O ATOM 0 H SER A 87 -4.059 9.251 10.864 1.00 0.00 H new ATOM 0 HA SER A 87 -3.333 11.488 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.674 11.744 11.603 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.360 10.621 11.890 1.00 0.00 H new ATOM 0 HG SER A 87 -1.185 12.266 10.371 1.00 0.00 H new ATOM 410 N LYS A 88 -1.670 8.784 9.233 1.00 0.00 N ATOM 411 CA LYS A 88 -0.520 8.060 8.725 1.00 0.00 C ATOM 412 C LYS A 88 -0.671 7.824 7.200 1.00 0.00 C ATOM 413 O LYS A 88 0.250 7.369 6.523 1.00 0.00 O ATOM 414 CB LYS A 88 -0.382 6.749 9.560 1.00 0.00 C ATOM 415 CG LYS A 88 0.893 5.916 9.383 1.00 0.00 C ATOM 416 CD LYS A 88 0.858 5.035 8.151 1.00 0.00 C ATOM 417 CE LYS A 88 2.130 4.209 8.028 1.00 0.00 C ATOM 418 NZ LYS A 88 3.343 5.038 7.784 1.00 0.00 N ATOM 0 H LYS A 88 -2.428 8.184 9.559 1.00 0.00 H new ATOM 0 HA LYS A 88 0.403 8.628 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.465 7.014 10.614 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.234 6.111 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.752 6.585 9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.038 5.292 10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.006 4.372 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.736 5.654 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.270 3.630 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.015 3.495 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.188 4.433 7.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.271 5.492 6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.418 5.769 8.520 1.00 0.00 H new ATOM 432 N ALA A 89 -1.842 8.157 6.684 1.00 0.00 N ATOM 433 CA ALA A 89 -2.213 7.878 5.299 1.00 0.00 C ATOM 434 C ALA A 89 -1.298 8.544 4.274 1.00 0.00 C ATOM 435 O ALA A 89 -0.896 7.905 3.299 1.00 0.00 O ATOM 436 CB ALA A 89 -3.661 8.270 5.050 1.00 0.00 C ATOM 0 H ALA A 89 -2.571 8.633 7.216 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.093 6.803 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.923 8.056 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.311 7.700 5.714 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.788 9.335 5.244 1.00 0.00 H new ATOM 442 N ASP A 90 -0.931 9.780 4.533 1.00 0.00 N ATOM 443 CA ASP A 90 -0.161 10.608 3.593 1.00 0.00 C ATOM 444 C ASP A 90 1.161 9.939 3.219 1.00 0.00 C ATOM 445 O ASP A 90 1.424 9.708 2.034 1.00 0.00 O ATOM 446 CB ASP A 90 0.053 12.038 4.165 1.00 0.00 C ATOM 447 CG ASP A 90 0.870 12.082 5.457 1.00 0.00 C ATOM 448 OD1 ASP A 90 0.754 11.120 6.267 1.00 0.00 O ATOM 449 OD2 ASP A 90 1.594 13.064 5.670 1.00 0.00 O ATOM 0 H ASP A 90 -1.155 10.255 5.407 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.739 10.706 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.553 12.647 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.920 12.493 4.348 1.00 0.00 H new ATOM 454 N ASP A 91 1.914 9.569 4.228 1.00 0.00 N ATOM 455 CA ASP A 91 3.196 8.848 4.114 1.00 0.00 C ATOM 456 C ASP A 91 3.128 7.675 3.139 1.00 0.00 C ATOM 457 O ASP A 91 3.915 7.585 2.184 1.00 0.00 O ATOM 458 CB ASP A 91 3.580 8.347 5.513 1.00 0.00 C ATOM 459 CG ASP A 91 4.595 7.202 5.535 1.00 0.00 C ATOM 460 OD1 ASP A 91 5.792 7.450 5.593 1.00 0.00 O ATOM 461 OD2 ASP A 91 4.149 6.015 5.578 1.00 0.00 O ATOM 0 H ASP A 91 1.656 9.761 5.196 1.00 0.00 H new ATOM 0 HA ASP A 91 3.946 9.533 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.986 9.183 6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.676 8.020 6.026 1.00 0.00 H new ATOM 466 N VAL A 92 2.131 6.841 3.315 1.00 0.00 N ATOM 467 CA VAL A 92 2.018 5.622 2.546 1.00 0.00 C ATOM 468 C VAL A 92 1.582 5.931 1.122 1.00 0.00 C ATOM 469 O VAL A 92 1.949 5.231 0.197 1.00 0.00 O ATOM 470 CB VAL A 92 1.023 4.663 3.199 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.039 3.314 2.522 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.306 4.508 4.666 1.00 0.00 C ATOM 0 H VAL A 92 1.380 6.985 3.990 1.00 0.00 H new ATOM 0 HA VAL A 92 2.998 5.145 2.520 1.00 0.00 H new ATOM 0 HB VAL A 92 0.029 5.095 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.321 2.654 3.009 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.771 3.431 1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.037 2.882 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.583 3.820 5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.312 4.113 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.228 5.478 5.156 1.00 0.00 H new ATOM 482 N TYR A 93 0.830 7.002 0.945 1.00 0.00 N ATOM 483 CA TYR A 93 0.420 7.413 -0.389 1.00 0.00 C ATOM 484 C TYR A 93 1.638 7.796 -1.229 1.00 0.00 C ATOM 485 O TYR A 93 1.688 7.534 -2.425 1.00 0.00 O ATOM 486 CB TYR A 93 -0.611 8.559 -0.357 1.00 0.00 C ATOM 487 CG TYR A 93 -2.053 8.140 -0.086 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.371 7.200 0.882 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.096 8.686 -0.824 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.677 6.820 1.114 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.407 8.310 -0.596 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.686 7.380 0.373 1.00 0.00 C ATOM 493 OH TYR A 93 -5.982 7.014 0.599 1.00 0.00 O ATOM 0 H TYR A 93 0.492 7.600 1.699 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.072 6.559 -0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.309 9.274 0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.577 9.082 -1.313 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.579 6.756 1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.879 9.417 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.903 6.087 1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.206 8.746 -1.177 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.570 7.493 -0.021 1.00 0.00 H new ATOM 503 N GLN A 94 2.635 8.395 -0.594 1.00 0.00 N ATOM 504 CA GLN A 94 3.846 8.751 -1.312 1.00 0.00 C ATOM 505 C GLN A 94 4.737 7.582 -1.439 1.00 0.00 C ATOM 506 O GLN A 94 5.396 7.427 -2.444 1.00 0.00 O ATOM 507 CB GLN A 94 4.609 9.960 -0.743 1.00 0.00 C ATOM 508 CG GLN A 94 3.946 11.289 -1.038 1.00 0.00 C ATOM 509 CD GLN A 94 2.761 11.573 -0.159 1.00 0.00 C ATOM 510 OE1 GLN A 94 1.637 11.021 -0.495 1.00 0.00 O flip ATOM 511 NE2 GLN A 94 2.882 12.216 0.856 1.00 0.00 N flip ATOM 0 H GLN A 94 2.630 8.640 0.396 1.00 0.00 H new ATOM 0 HA GLN A 94 3.509 9.070 -2.298 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.705 9.843 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.619 9.968 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.679 12.087 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.628 11.304 -2.080 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.782 12.636 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.085 12.339 1.480 1.00 0.00 H new ATOM 520 N LYS A 95 4.726 6.739 -0.435 1.00 0.00 N ATOM 521 CA LYS A 95 5.506 5.535 -0.452 1.00 0.00 C ATOM 522 C LYS A 95 4.964 4.615 -1.576 1.00 0.00 C ATOM 523 O LYS A 95 5.709 3.870 -2.218 1.00 0.00 O ATOM 524 CB LYS A 95 5.426 4.841 0.939 1.00 0.00 C ATOM 525 CG LYS A 95 6.570 3.842 1.261 1.00 0.00 C ATOM 526 CD LYS A 95 6.629 2.699 0.270 1.00 0.00 C ATOM 527 CE LYS A 95 7.821 1.806 0.460 1.00 0.00 C ATOM 528 NZ LYS A 95 8.045 1.035 -0.772 1.00 0.00 N ATOM 0 H LYS A 95 4.176 6.872 0.413 1.00 0.00 H new ATOM 0 HA LYS A 95 6.554 5.757 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.415 5.612 1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.476 4.311 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.523 4.371 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.429 3.443 2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.720 2.104 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.646 3.105 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.703 2.401 0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.656 1.132 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.849 0.389 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.192 0.484 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.253 1.686 -1.556 1.00 0.00 H new ATOM 542 N TRP A 96 3.691 4.689 -1.844 1.00 0.00 N ATOM 543 CA TRP A 96 3.156 3.836 -2.857 1.00 0.00 C ATOM 544 C TRP A 96 3.473 4.339 -4.266 1.00 0.00 C ATOM 545 O TRP A 96 3.819 3.538 -5.152 1.00 0.00 O ATOM 546 CB TRP A 96 1.694 3.451 -2.623 1.00 0.00 C ATOM 547 CG TRP A 96 1.492 2.447 -1.498 1.00 0.00 C ATOM 548 CD1 TRP A 96 2.461 1.801 -0.775 1.00 0.00 C ATOM 549 CD2 TRP A 96 0.241 1.967 -0.987 1.00 0.00 C ATOM 550 NE1 TRP A 96 1.888 0.955 0.140 1.00 0.00 N ATOM 551 CE2 TRP A 96 0.528 1.041 0.032 1.00 0.00 C ATOM 552 CE3 TRP A 96 -1.089 2.228 -1.289 1.00 0.00 C ATOM 553 CZ2 TRP A 96 -0.471 0.385 0.744 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -2.077 1.576 -0.583 1.00 0.00 C ATOM 555 CH2 TRP A 96 -1.761 0.666 0.422 1.00 0.00 C ATOM 0 H TRP A 96 3.024 5.313 -1.389 1.00 0.00 H new ATOM 0 HA TRP A 96 3.683 2.885 -2.774 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.123 4.352 -2.399 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.286 3.036 -3.545 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.524 1.939 -0.907 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.394 0.359 0.795 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -1.346 2.932 -2.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.230 -0.322 1.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -3.113 1.774 -0.813 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -2.559 0.173 0.958 1.00 0.00 H new ATOM 566 N ALA A 97 3.386 5.650 -4.471 1.00 0.00 N ATOM 567 CA ALA A 97 3.847 6.255 -5.716 1.00 0.00 C ATOM 568 C ALA A 97 5.374 6.054 -5.875 1.00 0.00 C ATOM 569 O ALA A 97 5.862 5.860 -6.978 1.00 0.00 O ATOM 570 CB ALA A 97 3.481 7.730 -5.760 1.00 0.00 C ATOM 0 H ALA A 97 3.003 6.311 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 97 3.350 5.762 -6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.833 8.164 -6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.398 7.838 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.949 8.246 -4.922 1.00 0.00 H new ATOM 576 N ASP A 98 6.089 6.083 -4.737 1.00 0.00 N ATOM 577 CA ASP A 98 7.563 5.806 -4.631 1.00 0.00 C ATOM 578 C ASP A 98 7.998 4.550 -5.393 1.00 0.00 C ATOM 579 O ASP A 98 9.029 4.539 -6.061 1.00 0.00 O ATOM 580 CB ASP A 98 7.966 5.711 -3.124 1.00 0.00 C ATOM 581 CG ASP A 98 9.126 4.762 -2.798 1.00 0.00 C ATOM 582 OD1 ASP A 98 10.284 5.069 -3.098 1.00 0.00 O ATOM 583 OD2 ASP A 98 8.880 3.637 -2.212 1.00 0.00 O ATOM 0 H ASP A 98 5.664 6.303 -3.836 1.00 0.00 H new ATOM 0 HA ASP A 98 8.086 6.637 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.230 6.709 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.093 5.395 -2.554 1.00 0.00 H new ATOM 588 N LYS A 99 7.224 3.498 -5.295 1.00 0.00 N ATOM 589 CA LYS A 99 7.564 2.270 -5.997 1.00 0.00 C ATOM 590 C LYS A 99 6.690 2.051 -7.195 1.00 0.00 C ATOM 591 O LYS A 99 6.836 1.053 -7.897 1.00 0.00 O ATOM 592 CB LYS A 99 7.505 1.079 -5.069 1.00 0.00 C ATOM 593 CG LYS A 99 8.531 1.134 -3.971 1.00 0.00 C ATOM 594 CD LYS A 99 9.956 1.013 -4.551 1.00 0.00 C ATOM 595 CE LYS A 99 11.051 1.181 -3.503 1.00 0.00 C ATOM 596 NZ LYS A 99 11.147 2.569 -3.006 1.00 0.00 N ATOM 0 H LYS A 99 6.365 3.459 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 99 8.588 2.378 -6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.511 1.020 -4.626 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.650 0.167 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.434 2.071 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.353 0.328 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.065 0.039 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.089 1.765 -5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.855 0.511 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.008 0.884 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.081 2.719 -2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.021 3.231 -3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.406 2.735 -2.295 1.00 0.00 H new ATOM 610 N GLY A 100 5.795 2.979 -7.418 1.00 0.00 N ATOM 611 CA GLY A 100 4.882 2.899 -8.519 1.00 0.00 C ATOM 612 C GLY A 100 3.993 1.679 -8.458 1.00 0.00 C ATOM 613 O GLY A 100 3.688 1.087 -9.506 1.00 0.00 O ATOM 0 H GLY A 100 5.682 3.811 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.261 3.795 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.446 2.885 -9.452 1.00 0.00 H new ATOM 617 N TYR A 101 3.593 1.267 -7.227 1.00 0.00 N ATOM 618 CA TYR A 101 2.686 0.124 -7.082 1.00 0.00 C ATOM 619 C TYR A 101 1.436 0.390 -7.901 1.00 0.00 C ATOM 620 O TYR A 101 0.664 1.308 -7.610 1.00 0.00 O ATOM 621 CB TYR A 101 2.277 -0.114 -5.624 1.00 0.00 C ATOM 622 CG TYR A 101 3.418 -0.362 -4.671 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.080 -1.573 -4.629 1.00 0.00 C ATOM 624 CD2 TYR A 101 3.818 0.621 -3.812 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.119 -1.784 -3.742 1.00 0.00 C ATOM 626 CE2 TYR A 101 4.848 0.430 -2.921 1.00 0.00 C ATOM 627 CZ TYR A 101 5.497 -0.773 -2.887 1.00 0.00 C ATOM 628 OH TYR A 101 6.531 -0.963 -1.989 1.00 0.00 O ATOM 0 H TYR A 101 3.880 1.702 -6.350 1.00 0.00 H new ATOM 0 HA TYR A 101 3.211 -0.766 -7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.715 0.752 -5.275 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.602 -0.969 -5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.782 -2.366 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.312 1.575 -3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.631 -2.735 -3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.142 1.225 -2.252 1.00 0.00 H new ATOM 0 HH TYR A 101 7.011 -1.788 -2.212 1.00 0.00 H new ATOM 638 N THR A 102 1.256 -0.391 -8.922 1.00 0.00 N ATOM 639 CA THR A 102 0.182 -0.207 -9.839 1.00 0.00 C ATOM 640 C THR A 102 -1.114 -0.779 -9.260 1.00 0.00 C ATOM 641 O THR A 102 -1.102 -1.863 -8.631 1.00 0.00 O ATOM 642 CB THR A 102 0.534 -0.919 -11.149 1.00 0.00 C ATOM 643 OG1 THR A 102 1.919 -0.660 -11.450 1.00 0.00 O ATOM 644 CG2 THR A 102 -0.327 -0.406 -12.296 1.00 0.00 C ATOM 0 H THR A 102 1.860 -1.183 -9.141 1.00 0.00 H new ATOM 0 HA THR A 102 0.031 0.857 -10.023 1.00 0.00 H new ATOM 0 HB THR A 102 0.353 -1.988 -11.033 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.162 -1.110 -12.286 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.058 -0.927 -13.215 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.378 -0.587 -12.071 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.162 0.664 -12.424 1.00 0.00 H new ATOM 652 N LEU A 103 -2.209 -0.046 -9.433 1.00 0.00 N ATOM 653 CA LEU A 103 -3.527 -0.462 -8.971 1.00 0.00 C ATOM 654 C LEU A 103 -4.045 -1.671 -9.758 1.00 0.00 C ATOM 655 O LEU A 103 -4.789 -1.540 -10.721 1.00 0.00 O ATOM 656 CB LEU A 103 -4.528 0.690 -9.035 1.00 0.00 C ATOM 657 CG LEU A 103 -5.929 0.393 -8.503 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.895 0.122 -7.007 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.876 1.530 -8.838 1.00 0.00 C ATOM 0 H LEU A 103 -2.206 0.860 -9.901 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.421 -0.762 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.119 1.531 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.616 1.011 -10.073 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.300 -0.508 -8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.904 -0.087 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.255 -0.738 -6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.501 0.996 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.869 1.302 -8.452 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.513 2.452 -8.384 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.927 1.654 -9.920 1.00 0.00 H new ATOM 671 N THR A 104 -3.543 -2.803 -9.366 1.00 0.00 N ATOM 672 CA THR A 104 -3.857 -4.111 -9.879 1.00 0.00 C ATOM 673 C THR A 104 -2.898 -5.081 -9.182 1.00 0.00 C ATOM 674 O THR A 104 -3.314 -6.062 -8.579 1.00 0.00 O ATOM 675 CB THR A 104 -3.775 -4.213 -11.467 1.00 0.00 C ATOM 676 OG1 THR A 104 -4.001 -5.549 -11.913 1.00 0.00 O ATOM 677 CG2 THR A 104 -2.449 -3.694 -12.036 1.00 0.00 C ATOM 0 H THR A 104 -2.848 -2.843 -8.621 1.00 0.00 H new ATOM 0 HA THR A 104 -4.897 -4.356 -9.664 1.00 0.00 H new ATOM 0 HB THR A 104 -4.567 -3.567 -11.845 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.946 -5.581 -12.891 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.456 -3.791 -13.122 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.323 -2.646 -11.766 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.624 -4.276 -11.625 1.00 0.00 H new ATOM 685 N GLN A 105 -1.619 -4.694 -9.148 1.00 0.00 N ATOM 686 CA GLN A 105 -0.589 -5.463 -8.462 1.00 0.00 C ATOM 687 C GLN A 105 -0.731 -5.214 -6.981 1.00 0.00 C ATOM 688 O GLN A 105 -0.519 -6.098 -6.159 1.00 0.00 O ATOM 689 CB GLN A 105 0.812 -5.024 -8.923 1.00 0.00 C ATOM 690 CG GLN A 105 1.067 -5.139 -10.428 1.00 0.00 C ATOM 691 CD GLN A 105 1.015 -6.571 -10.961 1.00 0.00 C ATOM 692 OE1 GLN A 105 0.313 -7.424 -10.449 1.00 0.00 O ATOM 693 NE2 GLN A 105 1.759 -6.831 -12.001 1.00 0.00 N ATOM 0 H GLN A 105 -1.275 -3.843 -9.594 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.707 -6.522 -8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.968 -3.988 -8.622 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.555 -5.624 -8.398 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.328 -4.538 -10.958 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.045 -4.714 -10.654 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.338 -6.098 -12.410 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.762 -7.768 -12.405 1.00 0.00 H new ATOM 702 N LEU A 106 -1.153 -3.982 -6.664 1.00 0.00 N ATOM 703 CA LEU A 106 -1.393 -3.512 -5.297 1.00 0.00 C ATOM 704 C LEU A 106 -2.331 -4.470 -4.538 1.00 0.00 C ATOM 705 O LEU A 106 -2.227 -4.626 -3.320 1.00 0.00 O ATOM 706 CB LEU A 106 -2.005 -2.101 -5.346 1.00 0.00 C ATOM 707 CG LEU A 106 -2.203 -1.391 -4.004 1.00 0.00 C ATOM 708 CD1 LEU A 106 -0.864 -1.126 -3.328 1.00 0.00 C ATOM 709 CD2 LEU A 106 -2.977 -0.100 -4.196 1.00 0.00 C ATOM 0 H LEU A 106 -1.341 -3.270 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.442 -3.483 -4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.368 -1.475 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.973 -2.167 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.783 -2.044 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.030 -0.621 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.352 -2.072 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.250 -0.495 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.109 0.392 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.426 0.558 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.953 -0.322 -4.627 1.00 0.00 H new ATOM 721 N SER A 107 -3.208 -5.139 -5.286 1.00 0.00 N ATOM 722 CA SER A 107 -4.133 -6.098 -4.736 1.00 0.00 C ATOM 723 C SER A 107 -3.388 -7.238 -4.034 1.00 0.00 C ATOM 724 O SER A 107 -3.840 -7.736 -3.001 1.00 0.00 O ATOM 725 CB SER A 107 -5.055 -6.652 -5.846 1.00 0.00 C ATOM 726 OG SER A 107 -5.890 -7.702 -5.363 1.00 0.00 O ATOM 0 H SER A 107 -3.288 -5.022 -6.296 1.00 0.00 H new ATOM 0 HA SER A 107 -4.749 -5.591 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.675 -5.846 -6.240 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.448 -7.021 -6.673 1.00 0.00 H new ATOM 0 HG SER A 107 -6.460 -8.027 -6.091 1.00 0.00 H new ATOM 732 N ASP A 108 -2.239 -7.644 -4.558 1.00 0.00 N ATOM 733 CA ASP A 108 -1.537 -8.747 -3.941 1.00 0.00 C ATOM 734 C ASP A 108 -0.677 -8.285 -2.785 1.00 0.00 C ATOM 735 O ASP A 108 -0.463 -9.027 -1.844 1.00 0.00 O ATOM 736 CB ASP A 108 -0.731 -9.587 -4.919 1.00 0.00 C ATOM 737 CG ASP A 108 -0.370 -10.907 -4.275 1.00 0.00 C ATOM 738 OD1 ASP A 108 -1.302 -11.739 -4.064 1.00 0.00 O ATOM 739 OD2 ASP A 108 0.788 -11.125 -3.888 1.00 0.00 O ATOM 0 H ASP A 108 -1.790 -7.239 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.316 -9.403 -3.552 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.308 -9.760 -5.827 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.174 -9.054 -5.212 1.00 0.00 H new ATOM 744 N PHE A 109 -0.224 -7.043 -2.841 1.00 0.00 N ATOM 745 CA PHE A 109 0.577 -6.479 -1.750 1.00 0.00 C ATOM 746 C PHE A 109 -0.229 -6.419 -0.467 1.00 0.00 C ATOM 747 O PHE A 109 0.266 -6.745 0.600 1.00 0.00 O ATOM 748 CB PHE A 109 1.131 -5.092 -2.098 1.00 0.00 C ATOM 749 CG PHE A 109 2.180 -5.100 -3.169 1.00 0.00 C ATOM 750 CD1 PHE A 109 1.833 -5.013 -4.494 1.00 0.00 C ATOM 751 CD2 PHE A 109 3.517 -5.191 -2.838 1.00 0.00 C ATOM 752 CE1 PHE A 109 2.787 -5.019 -5.481 1.00 0.00 C ATOM 753 CE2 PHE A 109 4.487 -5.199 -3.816 1.00 0.00 C ATOM 754 CZ PHE A 109 4.119 -5.114 -5.145 1.00 0.00 C ATOM 0 H PHE A 109 -0.391 -6.406 -3.620 1.00 0.00 H new ATOM 0 HA PHE A 109 1.428 -7.143 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.307 -4.454 -2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.551 -4.644 -1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.790 -4.938 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.806 -5.257 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.494 -4.949 -6.518 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.530 -5.271 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.873 -5.122 -5.918 1.00 0.00 H new ATOM 764 N LEU A 110 -1.481 -6.021 -0.585 1.00 0.00 N ATOM 765 CA LEU A 110 -2.369 -5.984 0.565 1.00 0.00 C ATOM 766 C LEU A 110 -3.001 -7.350 0.803 1.00 0.00 C ATOM 767 O LEU A 110 -3.385 -7.679 1.929 1.00 0.00 O ATOM 768 CB LEU A 110 -3.467 -4.906 0.418 1.00 0.00 C ATOM 769 CG LEU A 110 -3.055 -3.430 0.610 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.094 -2.957 -0.456 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.281 -2.543 0.652 1.00 0.00 C ATOM 0 H LEU A 110 -1.907 -5.719 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.760 -5.718 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.904 -5.006 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.255 -5.130 1.137 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.531 -3.363 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.836 -1.914 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.190 -3.565 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.563 -3.051 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.975 -1.506 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.832 -2.639 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.920 -2.844 1.482 1.00 0.00 H new ATOM 783 N LYS A 111 -3.059 -8.145 -0.262 1.00 0.00 N ATOM 784 CA LYS A 111 -3.685 -9.483 -0.294 1.00 0.00 C ATOM 785 C LYS A 111 -5.196 -9.349 -0.300 1.00 0.00 C ATOM 786 O LYS A 111 -5.920 -10.184 0.231 1.00 0.00 O ATOM 787 CB LYS A 111 -3.199 -10.426 0.845 1.00 0.00 C ATOM 788 CG LYS A 111 -1.730 -10.847 0.756 1.00 0.00 C ATOM 789 CD LYS A 111 -1.444 -11.640 -0.520 1.00 0.00 C ATOM 790 CE LYS A 111 0.013 -12.085 -0.590 1.00 0.00 C ATOM 791 NZ LYS A 111 0.330 -12.754 -1.876 1.00 0.00 N ATOM 0 H LYS A 111 -2.661 -7.875 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.364 -9.962 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.361 -9.929 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.819 -11.323 0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.095 -9.961 0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.472 -11.451 1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.094 -12.514 -0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.680 -11.028 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.663 -11.219 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.224 -12.766 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.841 -13.640 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.552 -12.964 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 0.924 -12.128 -2.456 1.00 0.00 H new ATOM 905 N TYR A 118 -9.577 -4.467 3.534 1.00 0.00 N ATOM 906 CA TYR A 118 -8.711 -3.331 3.231 1.00 0.00 C ATOM 907 C TYR A 118 -9.441 -2.246 2.399 1.00 0.00 C ATOM 908 O TYR A 118 -8.805 -1.462 1.712 1.00 0.00 O ATOM 909 CB TYR A 118 -7.417 -3.785 2.543 1.00 0.00 C ATOM 910 CG TYR A 118 -6.507 -4.604 3.435 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.930 -4.034 4.566 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.205 -5.928 3.145 1.00 0.00 C ATOM 913 CE1 TYR A 118 -5.086 -4.754 5.381 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.363 -6.653 3.962 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.807 -6.062 5.075 1.00 0.00 C ATOM 916 OH TYR A 118 -3.951 -6.792 5.885 1.00 0.00 O ATOM 0 HA TYR A 118 -8.441 -2.873 4.183 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.672 -4.373 1.661 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.874 -2.907 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.149 -3.005 4.809 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.634 -6.395 2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.647 -4.293 6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.140 -7.684 3.729 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.371 -7.646 6.118 1.00 0.00 H new ATOM 926 N ASP A 119 -10.757 -2.203 2.534 1.00 0.00 N ATOM 927 CA ASP A 119 -11.659 -1.252 1.872 1.00 0.00 C ATOM 928 C ASP A 119 -11.149 0.203 1.916 1.00 0.00 C ATOM 929 O ASP A 119 -10.785 0.769 0.885 1.00 0.00 O ATOM 930 CB ASP A 119 -13.075 -1.351 2.530 1.00 0.00 C ATOM 931 CG ASP A 119 -13.048 -1.480 4.077 1.00 0.00 C ATOM 932 OD1 ASP A 119 -12.603 -0.543 4.792 1.00 0.00 O ATOM 933 OD2 ASP A 119 -13.430 -2.543 4.606 1.00 0.00 O ATOM 0 H ASP A 119 -11.257 -2.858 3.135 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.706 -1.524 0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.652 -0.466 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -13.598 -2.212 2.113 1.00 0.00 H new ATOM 938 N ARG A 120 -11.054 0.756 3.105 1.00 0.00 N ATOM 939 CA ARG A 120 -10.614 2.128 3.330 1.00 0.00 C ATOM 940 C ARG A 120 -9.219 2.422 2.770 1.00 0.00 C ATOM 941 O ARG A 120 -8.992 3.479 2.188 1.00 0.00 O ATOM 942 CB ARG A 120 -10.704 2.454 4.830 1.00 0.00 C ATOM 943 CG ARG A 120 -10.044 3.757 5.255 1.00 0.00 C ATOM 944 CD ARG A 120 -10.317 4.040 6.717 1.00 0.00 C ATOM 945 NE ARG A 120 -9.279 4.882 7.319 1.00 0.00 N ATOM 946 CZ ARG A 120 -9.296 5.340 8.578 1.00 0.00 C ATOM 947 NH1 ARG A 120 -10.440 5.384 9.276 1.00 0.00 N ATOM 948 NH2 ARG A 120 -8.166 5.762 9.127 1.00 0.00 N ATOM 0 H ARG A 120 -11.284 0.259 3.965 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.285 2.783 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -11.756 2.489 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.250 1.637 5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.969 3.699 5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.420 4.578 4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -11.285 4.532 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.381 3.098 7.262 1.00 0.00 H new ATOM 0 HE ARG A 120 -8.483 5.139 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.310 5.067 8.849 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.440 5.735 10.234 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -7.298 5.736 8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.164 6.113 10.085 1.00 0.00 H new ATOM 962 N VAL A 121 -8.311 1.487 2.913 1.00 0.00 N ATOM 963 CA VAL A 121 -6.952 1.713 2.463 1.00 0.00 C ATOM 964 C VAL A 121 -6.813 1.556 0.935 1.00 0.00 C ATOM 965 O VAL A 121 -6.273 2.431 0.256 1.00 0.00 O ATOM 966 CB VAL A 121 -5.889 0.833 3.230 1.00 0.00 C ATOM 967 CG1 VAL A 121 -6.249 -0.616 3.232 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.535 1.008 2.604 1.00 0.00 C ATOM 0 H VAL A 121 -8.481 0.572 3.331 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.730 2.751 2.711 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.874 1.174 4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.488 -1.179 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -7.214 -0.750 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.309 -0.978 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.806 0.398 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.574 0.697 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.241 2.056 2.659 1.00 0.00 H new ATOM 978 N TYR A 122 -7.354 0.488 0.409 1.00 0.00 N ATOM 979 CA TYR A 122 -7.201 0.156 -0.987 1.00 0.00 C ATOM 980 C TYR A 122 -8.012 1.113 -1.861 1.00 0.00 C ATOM 981 O TYR A 122 -7.466 1.773 -2.753 1.00 0.00 O ATOM 982 CB TYR A 122 -7.627 -1.301 -1.205 1.00 0.00 C ATOM 983 CG TYR A 122 -7.397 -1.834 -2.590 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.157 -2.331 -2.964 1.00 0.00 C ATOM 985 CD2 TYR A 122 -8.418 -1.852 -3.517 1.00 0.00 C ATOM 986 CE1 TYR A 122 -5.945 -2.831 -4.227 1.00 0.00 C ATOM 987 CE2 TYR A 122 -8.223 -2.349 -4.777 1.00 0.00 C ATOM 988 CZ TYR A 122 -6.977 -2.842 -5.133 1.00 0.00 C ATOM 989 OH TYR A 122 -6.764 -3.346 -6.400 1.00 0.00 O ATOM 0 H TYR A 122 -7.916 -0.180 0.937 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.156 0.264 -1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.088 -1.930 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.687 -1.392 -0.969 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.345 -2.325 -2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.389 -1.467 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -4.974 -3.213 -4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.035 -2.357 -5.490 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.592 -3.284 -6.920 1.00 0.00 H new ATOM 999 N ASN A 123 -9.300 1.203 -1.579 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.214 2.080 -2.321 1.00 0.00 C ATOM 1001 C ASN A 123 -9.842 3.546 -2.173 1.00 0.00 C ATOM 1002 O ASN A 123 -10.002 4.320 -3.111 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.683 1.869 -1.904 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.236 0.489 -2.245 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.061 -0.048 -1.529 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -11.827 -0.076 -3.358 1.00 0.00 N ATOM 0 H ASN A 123 -9.750 0.674 -0.832 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.111 1.803 -3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.771 2.028 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -12.299 2.626 -2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -12.202 -0.983 -3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -11.135 0.392 -3.943 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.293 3.919 -1.019 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.941 5.294 -0.791 1.00 0.00 C ATOM 1015 C GLY A 124 -7.739 5.702 -1.601 1.00 0.00 C ATOM 1016 O GLY A 124 -7.600 6.867 -1.995 1.00 0.00 O ATOM 0 H GLY A 124 -9.089 3.288 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.786 5.933 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.735 5.446 0.268 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.859 4.757 -1.854 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.662 5.030 -2.607 1.00 0.00 C ATOM 1022 C TYR A 125 -5.937 5.022 -4.100 1.00 0.00 C ATOM 1023 O TYR A 125 -5.224 5.668 -4.855 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.540 4.054 -2.246 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.225 4.409 -2.893 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.535 5.537 -2.493 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -2.687 3.639 -3.914 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.349 5.893 -3.081 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -1.495 3.993 -4.509 1.00 0.00 C ATOM 1030 CZ TYR A 125 -0.834 5.126 -4.084 1.00 0.00 C ATOM 1031 OH TYR A 125 0.354 5.491 -4.668 1.00 0.00 O ATOM 0 H TYR A 125 -6.954 3.789 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 125 -5.326 6.031 -2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.414 4.037 -1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -4.829 3.048 -2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.938 6.151 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -3.208 2.753 -4.246 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.824 6.778 -2.751 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.082 3.387 -5.302 1.00 0.00 H new ATOM 0 HH TYR A 125 0.192 5.768 -5.594 1.00 0.00 H new ATOM 1041 N MET A 126 -7.007 4.333 -4.510 1.00 0.00 N ATOM 1042 CA MET A 126 -7.399 4.210 -5.940 1.00 0.00 C ATOM 1043 C MET A 126 -7.465 5.566 -6.636 1.00 0.00 C ATOM 1044 O MET A 126 -7.119 5.687 -7.808 1.00 0.00 O ATOM 1045 CB MET A 126 -8.749 3.494 -6.086 1.00 0.00 C ATOM 1046 CG MET A 126 -8.727 2.036 -5.666 1.00 0.00 C ATOM 1047 SD MET A 126 -10.340 1.223 -5.776 1.00 0.00 S ATOM 1048 CE MET A 126 -10.728 1.412 -7.519 1.00 0.00 C ATOM 0 H MET A 126 -7.632 3.842 -3.871 1.00 0.00 H new ATOM 0 HA MET A 126 -6.623 3.616 -6.422 1.00 0.00 H new ATOM 0 HB2 MET A 126 -9.494 4.021 -5.490 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.070 3.556 -7.126 1.00 0.00 H new ATOM 0 HG2 MET A 126 -8.015 1.498 -6.292 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.365 1.968 -4.640 1.00 0.00 H new ATOM 0 HE1 MET A 126 -11.704 0.972 -7.724 1.00 0.00 H new ATOM 0 HE2 MET A 126 -10.747 2.471 -7.775 1.00 0.00 H new ATOM 0 HE3 MET A 126 -9.969 0.908 -8.117 1.00 0.00 H new ATOM 1058 N THR A 127 -7.850 6.568 -5.873 1.00 0.00 N ATOM 1059 CA THR A 127 -7.988 7.949 -6.293 1.00 0.00 C ATOM 1060 C THR A 127 -6.684 8.524 -6.951 1.00 0.00 C ATOM 1061 O THR A 127 -6.746 9.483 -7.716 1.00 0.00 O ATOM 1062 CB THR A 127 -8.304 8.773 -5.032 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.175 7.992 -4.181 1.00 0.00 O ATOM 1064 CG2 THR A 127 -9.003 10.080 -5.393 1.00 0.00 C ATOM 0 H THR A 127 -8.088 6.435 -4.890 1.00 0.00 H new ATOM 0 HA THR A 127 -8.774 8.004 -7.046 1.00 0.00 H new ATOM 0 HB THR A 127 -7.371 9.011 -4.522 1.00 0.00 H new ATOM 0 HG1 THR A 127 -8.652 7.595 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.215 10.643 -4.484 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.357 10.670 -6.043 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.937 9.862 -5.911 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.525 7.918 -6.659 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.238 8.432 -7.155 1.00 0.00 C ATOM 1074 C TYR A 128 -4.109 8.252 -8.658 1.00 0.00 C ATOM 1075 O TYR A 128 -3.616 9.096 -9.342 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.037 7.722 -6.455 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.588 6.350 -7.041 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.488 5.288 -7.273 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.253 6.143 -7.398 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -3.070 4.104 -7.818 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.834 4.945 -7.953 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.752 3.928 -8.158 1.00 0.00 C ATOM 1083 OH TYR A 128 -1.350 2.727 -8.718 1.00 0.00 O ATOM 0 H TYR A 128 -5.450 7.077 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.215 9.496 -6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.182 8.398 -6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.295 7.574 -5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.529 5.412 -7.015 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.534 6.933 -7.238 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.779 3.306 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.202 4.805 -8.224 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.716 2.282 -8.117 1.00 0.00 H new ATOM 1093 N ARG A 129 -4.687 7.191 -9.137 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.457 6.669 -10.462 1.00 0.00 C ATOM 1095 C ARG A 129 -4.829 7.641 -11.552 1.00 0.00 C ATOM 1096 O ARG A 129 -4.216 7.680 -12.614 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.304 5.468 -10.592 1.00 0.00 C ATOM 1098 CG ARG A 129 -4.987 4.613 -11.762 1.00 0.00 C ATOM 1099 CD ARG A 129 -6.071 3.638 -11.889 1.00 0.00 C ATOM 1100 NE ARG A 129 -7.299 4.309 -12.363 1.00 0.00 N ATOM 1101 CZ ARG A 129 -8.226 3.820 -13.176 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -8.230 2.520 -13.506 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -9.155 4.643 -13.658 1.00 0.00 N ATOM 0 H ARG A 129 -5.357 6.641 -8.600 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.394 6.460 -10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.207 4.871 -9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.346 5.780 -10.658 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.902 5.215 -12.667 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.030 4.109 -11.623 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.784 2.851 -12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.256 3.160 -10.927 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.452 5.259 -12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.515 1.896 -13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -8.948 2.155 -14.132 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -9.145 5.630 -13.401 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -9.877 4.287 -14.285 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.840 8.390 -11.283 1.00 0.00 N ATOM 1118 CA ASP A 130 -6.392 9.294 -12.238 1.00 0.00 C ATOM 1119 C ASP A 130 -6.055 10.731 -11.854 1.00 0.00 C ATOM 1120 O ASP A 130 -6.581 11.677 -12.443 1.00 0.00 O ATOM 1121 CB ASP A 130 -7.931 9.086 -12.302 1.00 0.00 C ATOM 1122 CG ASP A 130 -8.341 7.632 -12.618 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -8.157 6.739 -11.749 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -8.863 7.349 -13.714 1.00 0.00 O ATOM 0 H ASP A 130 -6.316 8.394 -10.381 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.965 9.099 -13.222 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -8.370 9.380 -11.349 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -8.348 9.747 -13.062 1.00 0.00 H new ATOM 1129 N TYR A 131 -5.168 10.915 -10.860 1.00 0.00 N ATOM 1130 CA TYR A 131 -4.878 12.267 -10.400 1.00 0.00 C ATOM 1131 C TYR A 131 -3.371 12.536 -10.159 1.00 0.00 C ATOM 1132 O TYR A 131 -2.888 13.626 -10.472 1.00 0.00 O ATOM 1133 CB TYR A 131 -5.701 12.546 -9.126 1.00 0.00 C ATOM 1134 CG TYR A 131 -5.576 13.948 -8.570 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -6.174 15.025 -9.213 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -4.881 14.192 -7.394 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -6.077 16.303 -8.702 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -4.778 15.465 -6.876 1.00 0.00 C ATOM 1139 CZ TYR A 131 -5.378 16.519 -7.533 1.00 0.00 C ATOM 1140 OH TYR A 131 -5.284 17.792 -7.017 1.00 0.00 O ATOM 0 H TYR A 131 -4.661 10.171 -10.381 1.00 0.00 H new ATOM 0 HA TYR A 131 -5.165 12.953 -11.197 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -6.751 12.351 -9.342 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -5.397 11.838 -8.355 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -6.724 14.859 -10.128 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -4.412 13.369 -6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -6.546 17.130 -9.215 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.231 15.636 -5.961 1.00 0.00 H new ATOM 0 HH TYR A 131 -4.759 17.772 -6.190 1.00 0.00 H new ATOM 1150 N VAL A 132 -2.655 11.548 -9.645 1.00 0.00 N ATOM 1151 CA VAL A 132 -1.234 11.646 -9.299 1.00 0.00 C ATOM 1152 C VAL A 132 -0.570 10.260 -9.396 1.00 0.00 C ATOM 1153 O VAL A 132 0.029 9.973 -10.439 1.00 0.00 O ATOM 1154 CB VAL A 132 -0.966 12.281 -7.867 1.00 0.00 C ATOM 1155 CG1 VAL A 132 -1.114 13.797 -7.888 1.00 0.00 C ATOM 1156 CG2 VAL A 132 -1.903 11.695 -6.802 1.00 0.00 C ATOM 1157 OXT VAL A 132 -0.694 9.459 -8.438 1.00 0.00 O ATOM 0 H VAL A 132 -3.051 10.629 -9.449 1.00 0.00 H new ATOM 0 HA VAL A 132 -0.789 12.329 -10.023 1.00 0.00 H new ATOM 0 HB VAL A 132 0.063 12.030 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -0.923 14.195 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -0.399 14.223 -8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.126 14.060 -8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -1.689 12.154 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -2.938 11.896 -7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -1.748 10.618 -6.734 1.00 0.00 H new